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 1f91_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SASATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 K N 1.790 122.196 120.400 0.010 0.000 2.322 2 K HA 0.408 4.728 4.320 -0.000 0.000 0.283 2 K C -0.588 176.014 176.600 0.003 0.000 1.042 2 K CA -0.061 56.229 56.287 0.005 0.000 0.958 2 K CB 0.772 33.273 32.500 0.002 0.000 0.984 2 K HN 0.182 nan 8.250 nan 0.000 0.473 3 R N 1.570 122.070 120.500 0.001 0.000 2.404 3 R HA 0.331 4.671 4.340 -0.000 0.000 0.291 3 R C -0.721 175.572 176.300 -0.013 0.000 1.025 3 R CA -0.716 55.382 56.100 -0.003 0.000 0.991 3 R CB 1.102 31.401 30.300 -0.002 0.000 1.053 3 R HN 0.233 nan 8.270 nan 0.000 0.479 4 V N 3.744 123.647 119.914 -0.019 0.000 2.495 4 V HA 0.467 4.587 4.120 -0.000 0.000 0.298 4 V C 0.046 176.118 176.094 -0.038 0.000 1.031 4 V CA -0.743 61.535 62.300 -0.036 0.000 0.871 4 V CB 1.605 33.400 31.823 -0.046 0.000 0.988 4 V HN 0.630 nan 8.190 nan 0.000 0.432 5 V N 2.286 122.171 119.914 -0.047 0.000 3.126 5 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 5 V C -0.703 175.360 176.094 -0.051 0.000 1.138 5 V CA -0.976 61.298 62.300 -0.043 0.000 1.034 5 V CB 2.419 34.217 31.823 -0.041 0.000 1.075 5 V HN 0.652 nan 8.190 nan 0.000 0.442 6 I N 1.922 122.477 120.570 -0.026 0.000 2.362 6 I HA 0.464 4.634 4.170 -0.000 0.000 0.289 6 I C 0.806 176.971 176.117 0.079 0.000 0.994 6 I CA -0.048 61.249 61.300 -0.006 0.000 1.158 6 I CB 2.171 40.161 38.000 -0.017 0.000 1.315 6 I HN 0.990 nan 8.210 nan 0.000 0.451 7 T N 0.644 115.234 114.554 0.060 0.000 3.084 7 T HA 0.447 4.797 4.350 -0.000 0.000 0.270 7 T C 0.333 175.151 174.700 0.198 0.000 1.008 7 T CA -0.429 61.721 62.100 0.083 0.000 0.900 7 T CB 0.443 69.312 68.868 0.002 0.000 1.084 7 T HN 0.725 nan 8.240 nan 0.000 0.538 8 G N 1.422 110.356 108.800 0.224 0.000 2.702 8 G HA2 0.564 4.524 3.960 -0.000 0.000 0.296 8 G HA3 0.564 4.524 3.960 -0.000 0.000 0.296 8 G C -2.024 172.914 174.900 0.063 0.000 1.463 8 G CA -0.946 44.283 45.100 0.214 0.000 0.890 8 G HN 0.649 nan 8.290 nan 0.000 0.534 9 L N -1.023 120.217 121.223 0.029 0.000 2.465 9 L HA 1.052 5.392 4.340 -0.000 0.000 0.257 9 L C -0.051 176.792 176.870 -0.045 0.000 0.988 9 L CA -0.930 53.858 54.840 -0.086 0.000 0.827 9 L CB 1.771 43.676 42.059 -0.255 0.000 1.397 9 L HN 1.227 nan 8.230 nan 0.000 0.410 10 G N 0.765 109.526 108.800 -0.065 0.000 2.706 10 G HA2 0.790 4.750 3.960 -0.000 0.000 0.297 10 G HA3 0.790 4.750 3.960 -0.000 0.000 0.297 10 G C -2.039 172.829 174.900 -0.053 0.000 1.403 10 G CA -0.672 44.401 45.100 -0.045 0.000 0.954 10 G HN 1.055 nan 8.290 nan 0.000 0.500 11 I N 0.452 121.003 120.570 -0.031 0.000 2.787 11 I HA 0.581 4.751 4.170 -0.000 0.000 0.294 11 I C -1.595 174.511 176.117 -0.020 0.000 1.365 11 I CA -0.925 60.353 61.300 -0.037 0.000 1.029 11 I CB 2.294 40.268 38.000 -0.044 0.000 1.313 11 I HN 0.364 nan 8.210 nan 0.000 0.431 12 V N 6.354 126.242 119.914 -0.044 0.000 2.419 12 V HA 0.585 4.705 4.120 -0.000 0.000 0.287 12 V C -0.241 175.765 176.094 -0.146 0.000 1.017 12 V CA -0.196 62.057 62.300 -0.078 0.000 0.844 12 V CB 1.158 32.937 31.823 -0.074 0.000 1.011 12 V HN 0.827 nan 8.190 nan 0.000 0.429 13 S N 2.273 117.915 115.700 -0.097 0.000 2.732 13 S HA 0.468 4.938 4.470 -0.000 0.000 0.293 13 S C 1.151 175.697 174.600 -0.091 0.000 1.159 13 S CA 0.088 58.234 58.200 -0.090 0.000 0.847 13 S CB 1.728 64.956 63.200 0.047 0.000 1.169 13 S HN 0.879 nan 8.310 nan 0.000 0.501 14 S N 0.385 116.038 115.700 -0.078 0.000 2.442 14 S HA -0.084 4.386 4.470 -0.000 0.000 0.236 14 S C 1.435 176.010 174.600 -0.042 0.000 1.007 14 S CA 1.097 59.253 58.200 -0.073 0.000 0.965 14 S CB -1.147 62.020 63.200 -0.054 0.000 0.773 14 S HN 1.012 nan 8.310 nan 0.000 0.504 15 I N -2.532 118.020 120.570 -0.029 0.000 3.974 15 I HA 0.675 4.845 4.170 -0.000 0.000 0.334 15 I C 0.562 176.665 176.117 -0.024 0.000 1.437 15 I CA -0.419 60.858 61.300 -0.037 0.000 1.113 15 I CB 0.179 38.130 38.000 -0.081 0.000 1.063 15 I HN 0.295 nan 8.210 nan 0.000 0.400 16 G N 1.121 109.912 108.800 -0.014 0.000 2.376 16 G HA2 0.049 4.009 3.960 -0.000 0.000 0.302 16 G HA3 0.049 4.009 3.960 -0.000 0.000 0.302 16 G C -0.927 173.969 174.900 -0.006 0.000 1.586 16 G CA -0.642 44.455 45.100 -0.005 0.000 0.907 16 G HN 0.016 nan 8.290 nan 0.000 0.655 17 N N 0.477 119.174 118.700 -0.004 0.000 2.230 17 N HA 0.121 4.861 4.740 -0.000 0.000 0.202 17 N C 0.455 175.972 175.510 0.012 0.000 1.119 17 N CA 0.467 53.516 53.050 -0.002 0.000 0.851 17 N CB 0.187 38.676 38.487 0.003 0.000 0.990 17 N HN 0.851 nan 8.380 nan 0.000 0.497 18 N N -1.325 117.385 118.700 0.017 0.000 3.227 18 N HA -0.023 4.717 4.740 -0.000 0.000 0.241 18 N C 0.232 175.761 175.510 0.033 0.000 1.480 18 N CA -0.485 52.579 53.050 0.024 0.000 0.886 18 N CB 0.856 39.358 38.487 0.025 0.000 1.406 18 N HN -0.188 nan 8.380 nan 0.000 0.514 19 Q N -0.392 119.433 119.800 0.041 0.000 2.224 19 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 19 Q C 1.131 177.159 176.000 0.046 0.000 0.970 19 Q CA 1.499 57.337 55.803 0.059 0.000 0.865 19 Q CB -0.136 28.649 28.738 0.078 0.000 0.922 19 Q HN 0.527 nan 8.270 nan 0.000 0.445 20 Q N 1.280 121.097 119.800 0.029 0.000 2.046 20 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 20 Q C 1.761 177.750 176.000 -0.018 0.000 0.975 20 Q CA 1.970 57.772 55.803 -0.001 0.000 0.836 20 Q CB 0.074 28.812 28.738 0.000 0.000 0.896 20 Q HN 0.578 nan 8.270 nan 0.000 0.428 21 E N -0.657 119.539 120.200 -0.006 0.000 2.110 21 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 21 E C 1.955 178.545 176.600 -0.015 0.000 0.988 21 E CA 1.242 57.634 56.400 -0.014 0.000 0.804 21 E CB -0.018 29.678 29.700 -0.006 0.000 0.745 21 E HN 0.111 nan 8.360 nan 0.000 0.458 22 V N 1.542 121.463 119.914 0.011 0.000 2.343 22 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 22 V C 2.281 178.379 176.094 0.007 0.000 1.051 22 V CA 1.316 63.631 62.300 0.024 0.000 1.036 22 V CB -0.370 31.520 31.823 0.112 0.000 0.654 22 V HN 0.220 nan 8.190 nan 0.000 0.451 23 L N 1.039 122.264 121.223 0.005 0.000 1.989 23 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 23 L C 2.492 179.295 176.870 -0.112 0.000 1.071 23 L CA 2.574 57.394 54.840 -0.033 0.000 0.749 23 L CB -1.111 40.871 42.059 -0.130 0.000 0.890 23 L HN 0.228 nan 8.230 nan 0.000 0.431 24 A N -1.415 121.336 122.820 -0.114 0.000 1.883 24 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 24 A C 2.398 179.917 177.584 -0.109 0.000 1.186 24 A CA 2.263 54.224 52.037 -0.126 0.000 0.624 24 A CB -1.143 17.803 19.000 -0.091 0.000 0.822 24 A HN 0.567 nan 8.150 nan 0.000 0.444 25 S N -0.192 115.461 115.700 -0.079 0.000 2.359 25 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 25 S C 1.849 176.401 174.600 -0.079 0.000 1.035 25 S CA 1.528 59.683 58.200 -0.075 0.000 1.018 25 S CB -0.506 62.650 63.200 -0.073 0.000 0.876 25 S HN 0.503 nan 8.310 nan 0.000 0.448 26 L N 0.722 121.906 121.223 -0.064 0.000 2.042 26 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 26 L C 2.747 179.637 176.870 0.033 0.000 1.076 26 L CA 1.319 56.163 54.840 0.006 0.000 0.749 26 L CB -0.405 41.745 42.059 0.151 0.000 0.893 26 L HN 0.223 nan 8.230 nan 0.000 0.432 27 R N -0.098 120.314 120.500 -0.147 0.000 2.115 27 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 27 R C 1.895 178.104 176.300 -0.151 0.000 1.111 27 R CA 1.204 57.118 56.100 -0.309 0.000 0.976 27 R CB -0.016 29.981 30.300 -0.505 0.000 0.870 27 R HN 0.442 nan 8.270 nan 0.000 0.445 28 E N -1.023 119.111 120.200 -0.111 0.000 2.474 28 E HA 0.075 4.425 4.350 -0.000 0.000 0.194 28 E C 0.565 177.137 176.600 -0.047 0.000 1.041 28 E CA 0.319 56.674 56.400 -0.075 0.000 0.874 28 E CB 0.675 30.333 29.700 -0.071 0.000 0.914 28 E HN 0.457 nan 8.360 nan 0.000 0.498 29 G N 2.921 111.697 108.800 -0.039 0.000 2.273 29 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.280 29 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.280 29 G C 0.077 174.957 174.900 -0.033 0.000 1.047 29 G CA 0.474 45.557 45.100 -0.028 0.000 0.869 29 G HN 0.226 nan 8.290 nan 0.000 0.502 30 R N 0.320 120.795 120.500 -0.042 0.000 2.298 30 R HA 0.474 4.814 4.340 -0.000 0.000 0.310 30 R C 0.757 177.037 176.300 -0.034 0.000 1.068 30 R CA 0.262 56.342 56.100 -0.034 0.000 0.957 30 R CB 0.523 30.802 30.300 -0.036 0.000 1.003 30 R HN 0.262 nan 8.270 nan 0.000 0.454 31 S N 2.034 117.723 115.700 -0.018 0.000 2.576 31 S HA 0.228 4.698 4.470 -0.000 0.000 0.276 31 S C 0.916 175.517 174.600 0.001 0.000 1.339 31 S CA -0.093 58.101 58.200 -0.009 0.000 1.039 31 S CB 1.181 64.385 63.200 0.006 0.000 0.902 31 S HN 0.787 nan 8.310 nan 0.000 0.516 32 G N 3.665 112.467 108.800 0.003 0.000 3.277 32 G HA2 0.231 4.191 3.960 -0.000 0.000 0.243 32 G HA3 0.231 4.191 3.960 -0.000 0.000 0.243 32 G C 0.135 175.066 174.900 0.051 0.000 1.107 32 G CA -0.266 44.841 45.100 0.012 0.000 0.771 32 G HN 0.613 nan 8.290 nan 0.000 0.544 33 I N 2.756 123.370 120.570 0.074 0.000 2.441 33 I HA 0.346 4.515 4.170 -0.000 0.000 0.287 33 I C 0.689 176.907 176.117 0.167 0.000 1.049 33 I CA -0.157 61.222 61.300 0.131 0.000 1.381 33 I CB 0.422 38.491 38.000 0.115 0.000 1.409 33 I HN 0.080 nan 8.210 nan 0.000 0.523 34 T N 2.844 117.553 114.554 0.258 0.000 2.887 34 T HA 0.545 4.895 4.350 -0.000 0.000 0.292 34 T C -0.540 174.314 174.700 0.257 0.000 1.087 34 T CA -0.736 61.525 62.100 0.267 0.000 1.009 34 T CB 1.832 70.876 68.868 0.293 0.000 1.203 34 T HN 0.213 nan 8.240 nan 0.000 0.518 35 F N 1.620 121.621 119.950 0.085 0.000 2.443 35 F HA 0.571 5.098 4.527 -0.000 0.000 0.353 35 F C 0.434 176.151 175.800 -0.139 0.000 1.101 35 F CA -0.204 57.789 58.000 -0.011 0.000 1.226 35 F CB 1.010 40.011 39.000 0.003 0.000 1.140 35 F HN 0.676 nan 8.300 nan 0.000 0.557 36 S N 4.894 119.801 115.700 -1.322 0.000 2.566 36 S HA 0.191 4.661 4.470 -0.000 0.000 0.324 36 S C 0.545 174.373 174.600 -1.286 0.000 1.081 36 S CA -0.658 56.708 58.200 -1.389 0.000 1.105 36 S CB 1.270 63.106 63.200 -2.273 0.000 0.981 36 S HN 0.886 nan 8.310 nan 0.000 0.464 37 Q N 3.453 122.839 119.800 -0.692 0.000 2.167 37 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 37 Q C 1.754 177.534 176.000 -0.367 0.000 0.970 37 Q CA 2.163 57.752 55.803 -0.358 0.000 0.855 37 Q CB -0.155 28.561 28.738 -0.036 0.000 0.911 37 Q HN 0.908 nan 8.270 nan 0.000 0.438 38 E N -0.490 119.487 120.200 -0.372 0.000 2.058 38 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 38 E C 1.763 178.195 176.600 -0.279 0.000 0.997 38 E CA 1.370 57.636 56.400 -0.224 0.000 0.801 38 E CB -0.158 29.523 29.700 -0.032 0.000 0.746 38 E HN 0.455 nan 8.360 nan 0.000 0.450 39 L N 0.545 121.492 121.223 -0.460 0.000 2.056 39 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 39 L C 2.840 179.537 176.870 -0.289 0.000 1.078 39 L CA 1.293 55.959 54.840 -0.290 0.000 0.749 39 L CB -0.545 41.312 42.059 -0.336 0.000 0.901 39 L HN 0.156 nan 8.230 nan 0.000 0.433 40 K N 0.453 120.544 120.400 -0.514 0.000 2.002 40 K HA -0.213 4.106 4.320 -0.000 0.000 0.209 40 K C 1.644 178.035 176.600 -0.349 0.000 1.048 40 K CA 1.941 57.837 56.287 -0.652 0.000 0.930 40 K CB -0.017 32.062 32.500 -0.702 0.000 0.714 40 K HN 0.209 nan 8.250 nan 0.000 0.438 41 D N 0.269 120.494 120.400 -0.292 0.000 2.218 41 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 41 D C 1.885 178.011 176.300 -0.290 0.000 0.976 41 D CA 1.434 55.292 54.000 -0.237 0.000 0.853 41 D CB -0.124 40.556 40.800 -0.201 0.000 0.939 41 D HN 0.362 nan 8.370 nan 0.000 0.481 42 S N -0.791 114.700 115.700 -0.349 0.000 2.481 42 S HA 0.122 4.592 4.470 -0.000 0.000 0.231 42 S C 1.775 176.208 174.600 -0.279 0.000 0.996 42 S CA 0.893 58.802 58.200 -0.485 0.000 0.942 42 S CB 0.120 63.029 63.200 -0.485 0.000 0.768 42 S HN 0.322 nan 8.310 nan 0.000 0.520 43 G N 0.631 109.333 108.800 -0.164 0.000 2.144 43 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 43 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 43 G C -0.033 174.871 174.900 0.007 0.000 0.988 43 G CA 0.108 45.163 45.100 -0.074 0.000 0.659 43 G HN 0.483 nan 8.290 nan 0.000 0.522 44 M N -0.739 118.885 119.600 0.039 0.000 2.227 44 M HA 0.463 4.943 4.480 -0.000 0.000 0.316 44 M C 1.831 178.224 176.300 0.155 0.000 1.144 44 M CA -0.178 55.179 55.300 0.095 0.000 1.121 44 M CB 0.630 33.294 32.600 0.108 0.000 1.440 44 M HN 0.127 nan 8.290 nan 0.000 0.473 45 R N -0.480 120.045 120.500 0.042 0.000 2.189 45 R HA 0.113 4.453 4.340 -0.000 0.000 0.203 45 R C 0.432 176.532 176.300 -0.334 0.000 1.012 45 R CA 0.225 56.267 56.100 -0.097 0.000 1.015 45 R CB 0.244 30.501 30.300 -0.072 0.000 0.938 45 R HN 0.544 nan 8.270 nan 0.000 0.472 46 S N 0.493 116.107 115.700 -0.144 0.000 2.439 46 S HA 0.119 4.589 4.470 -0.000 0.000 0.282 46 S C -0.041 174.539 174.600 -0.033 0.000 1.170 46 S CA -0.547 57.569 58.200 -0.140 0.000 1.054 46 S CB 0.273 63.438 63.200 -0.059 0.000 0.956 46 S HN 0.339 nan 8.310 nan 0.000 0.490 47 H N 2.736 121.738 119.070 -0.113 0.000 2.528 47 H HA 0.301 4.857 4.556 -0.000 0.000 0.282 47 H C 0.092 175.177 175.328 -0.404 0.000 1.097 47 H CA -0.542 55.323 56.048 -0.306 0.000 1.121 47 H CB 0.556 30.202 29.762 -0.193 0.000 1.590 47 H HN 0.459 nan 8.280 nan 0.000 0.553 48 V N -1.419 118.441 119.914 -0.090 0.000 2.769 48 V HA 0.590 4.710 4.120 -0.000 0.000 0.312 48 V C -1.144 175.013 176.094 0.105 0.000 1.061 48 V CA -0.898 61.388 62.300 -0.022 0.000 0.931 48 V CB 1.839 33.723 31.823 0.102 0.000 1.010 48 V HN 0.381 nan 8.190 nan 0.000 0.433 49 W N 1.723 123.032 121.300 0.015 0.000 3.074 49 W HA 0.844 5.504 4.660 -0.000 0.000 0.332 49 W C -0.305 176.230 176.519 0.028 0.000 1.253 49 W CA -1.839 55.519 57.345 0.022 0.000 1.180 49 W CB 0.953 30.422 29.460 0.014 0.000 1.445 49 W HN 1.000 nan 8.180 nan 0.000 0.573 50 G N 1.985 110.895 108.800 0.182 0.000 2.922 50 G HA2 0.402 4.362 3.960 -0.000 0.000 0.335 50 G HA3 0.402 4.362 3.960 -0.000 0.000 0.335 50 G C -0.595 174.182 174.900 -0.205 0.000 1.016 50 G CA -0.846 44.265 45.100 0.018 0.000 1.306 50 G HN 0.621 nan 8.290 nan 0.000 0.465 51 N N 0.079 118.569 118.700 -0.351 0.000 2.508 51 N HA 0.430 5.170 4.740 -0.000 0.000 0.285 51 N C -0.395 174.938 175.510 -0.295 0.000 1.144 51 N CA -0.892 51.832 53.050 -0.543 0.000 0.978 51 N CB 2.117 40.140 38.487 -0.773 0.000 1.180 51 N HN -0.008 nan 8.380 nan 0.000 0.484 52 V N 1.736 121.461 119.914 -0.316 0.000 2.427 52 V HA 0.039 4.159 4.120 -0.000 0.000 0.268 52 V C 0.289 176.306 176.094 -0.129 0.000 1.046 52 V CA -0.439 61.710 62.300 -0.252 0.000 0.970 52 V CB 0.320 31.893 31.823 -0.416 0.000 1.001 52 V HN 0.700 nan 8.190 nan 0.000 0.476 53 K N 6.093 126.446 120.400 -0.077 0.000 2.155 53 K HA 0.423 4.743 4.320 -0.000 0.000 0.240 53 K C -0.793 175.804 176.600 -0.005 0.000 1.193 53 K CA -0.191 56.083 56.287 -0.023 0.000 1.104 53 K CB 0.120 32.617 32.500 -0.006 0.000 1.558 53 K HN 0.456 nan 8.250 nan 0.000 0.313 54 L N 0.460 121.689 121.223 0.010 0.000 2.611 54 L HA 0.284 4.624 4.340 -0.000 0.000 0.260 54 L C -1.749 175.153 176.870 0.054 0.000 0.924 54 L CA -0.442 54.418 54.840 0.032 0.000 0.901 54 L CB 2.177 44.257 42.059 0.035 0.000 1.369 54 L HN 0.180 nan 8.230 nan 0.000 0.415 55 D N 2.046 122.474 120.400 0.047 0.000 2.316 55 D HA 0.272 4.912 4.640 -0.000 0.000 0.245 55 D C 0.848 177.176 176.300 0.046 0.000 1.171 55 D CA 0.443 54.470 54.000 0.045 0.000 0.856 55 D CB 1.649 42.469 40.800 0.034 0.000 1.090 55 D HN 0.738 nan 8.370 nan 0.000 0.476 56 T N -0.180 114.403 114.554 0.048 0.000 3.129 56 T HA 0.024 4.374 4.350 -0.000 0.000 0.251 56 T C 0.892 175.593 174.700 0.001 0.000 1.117 56 T CA -0.187 61.935 62.100 0.037 0.000 1.034 56 T CB -0.286 68.605 68.868 0.038 0.000 0.968 56 T HN 0.240 nan 8.240 nan 0.000 0.526 57 T N 2.532 117.085 114.554 -0.001 0.000 2.866 57 T HA 0.383 4.733 4.350 -0.000 0.000 0.293 57 T C 1.545 176.234 174.700 -0.019 0.000 1.005 57 T CA 0.977 63.066 62.100 -0.017 0.000 1.162 57 T CB -0.040 68.823 68.868 -0.008 0.000 0.968 57 T HN 0.745 nan 8.240 nan 0.000 0.530 58 G N 2.717 111.495 108.800 -0.037 0.000 2.189 58 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 58 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 58 G C 0.822 175.706 174.900 -0.026 0.000 0.975 58 G CA 0.358 45.438 45.100 -0.035 0.000 0.644 58 G HN 0.702 nan 8.290 nan 0.000 0.537 59 L N -0.402 120.809 121.223 -0.021 0.000 2.492 59 L HA 0.387 4.727 4.340 -0.000 0.000 0.223 59 L C 1.127 177.993 176.870 -0.007 0.000 1.132 59 L CA 0.591 55.436 54.840 0.007 0.000 0.850 59 L CB 0.000 42.081 42.059 0.037 0.000 0.966 59 L HN 0.290 nan 8.230 nan 0.000 0.454 60 I N -0.958 119.561 120.570 -0.085 0.000 2.582 60 I HA 0.159 4.329 4.170 -0.000 0.000 0.292 60 I C -0.460 175.556 176.117 -0.168 0.000 1.066 60 I CA -0.971 60.222 61.300 -0.179 0.000 1.053 60 I CB 2.322 40.080 38.000 -0.403 0.000 1.241 60 I HN -0.180 nan 8.210 nan 0.000 0.421 61 D N 4.097 124.407 120.400 -0.151 0.000 2.583 61 D HA -0.056 4.584 4.640 -0.000 0.000 0.232 61 D C 1.581 177.791 176.300 -0.150 0.000 1.128 61 D CA 0.329 54.258 54.000 -0.118 0.000 0.859 61 D CB 0.936 41.680 40.800 -0.094 0.000 1.169 61 D HN 0.552 nan 8.370 nan 0.000 0.481 62 R N 3.736 124.161 120.500 -0.125 0.000 2.117 62 R HA -0.190 4.150 4.340 -0.000 0.000 0.243 62 R C 1.396 177.591 176.300 -0.175 0.000 1.143 62 R CA 0.981 56.992 56.100 -0.149 0.000 0.968 62 R CB -0.349 29.881 30.300 -0.117 0.000 0.863 62 R HN 0.361 nan 8.270 nan 0.000 0.444 63 K N 0.747 121.074 120.400 -0.122 0.000 2.147 63 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 63 K C 2.072 178.644 176.600 -0.047 0.000 1.049 63 K CA 1.443 57.678 56.287 -0.087 0.000 0.936 63 K CB 0.017 32.501 32.500 -0.026 0.000 0.722 63 K HN 0.162 nan 8.250 nan 0.000 0.446 64 V N 0.325 120.185 119.914 -0.089 0.000 2.426 64 V HA -0.088 4.031 4.120 -0.000 0.000 0.242 64 V C 2.115 178.125 176.094 -0.140 0.000 1.036 64 V CA 0.773 63.029 62.300 -0.074 0.000 1.044 64 V CB 0.060 31.758 31.823 -0.209 0.000 0.688 64 V HN 0.032 nan 8.190 nan 0.000 0.462 65 V N 2.357 122.115 119.914 -0.261 0.000 2.913 65 V HA -0.196 3.924 4.120 -0.000 0.000 0.260 65 V C 2.712 178.607 176.094 -0.332 0.000 1.098 65 V CA 2.041 64.163 62.300 -0.296 0.000 1.121 65 V CB -0.663 30.989 31.823 -0.284 0.000 0.714 65 V HN 0.714 nan 8.190 nan 0.000 0.487 66 R N -1.217 119.014 120.500 -0.449 0.000 2.237 66 R HA -0.091 4.249 4.340 -0.000 0.000 0.219 66 R C 1.790 177.578 176.300 -0.854 0.000 1.080 66 R CA 1.898 57.542 56.100 -0.759 0.000 0.995 66 R CB -0.630 28.989 30.300 -1.135 0.000 0.875 66 R HN 0.507 nan 8.270 nan 0.000 0.462 67 F N 0.904 120.612 119.950 -0.403 0.000 2.754 67 F HA 0.322 4.849 4.527 -0.000 0.000 0.297 67 F C 0.952 176.599 175.800 -0.254 0.000 1.122 67 F CA -0.267 57.583 58.000 -0.249 0.000 1.400 67 F CB 0.212 39.126 39.000 -0.143 0.000 1.117 67 F HN -0.123 nan 8.300 nan 0.000 0.587 68 M N -0.021 119.488 119.600 -0.152 0.000 2.314 68 M HA 0.319 4.799 4.480 -0.000 0.000 0.342 68 M C 0.420 176.525 176.300 -0.324 0.000 1.171 68 M CA -0.582 54.601 55.300 -0.196 0.000 1.098 68 M CB 1.432 33.921 32.600 -0.184 0.000 1.559 68 M HN -0.037 nan 8.290 nan 0.000 0.459 69 S N -0.447 115.099 115.700 -0.256 0.000 2.745 69 S HA 0.358 4.828 4.470 -0.000 0.000 0.292 69 S C 0.291 174.790 174.600 -0.169 0.000 1.133 69 S CA -0.853 57.217 58.200 -0.217 0.000 0.998 69 S CB 1.129 64.282 63.200 -0.079 0.000 1.087 69 S HN 0.672 nan 8.310 nan 0.000 0.551 70 D N 1.114 121.425 120.400 -0.148 0.000 2.149 70 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 70 D C 2.180 178.167 176.300 -0.522 0.000 0.990 70 D CA 1.816 55.549 54.000 -0.445 0.000 0.839 70 D CB -0.874 39.664 40.800 -0.437 0.000 0.948 70 D HN 0.684 nan 8.370 nan 0.000 0.460 71 A N 0.517 123.230 122.820 -0.178 0.000 1.940 71 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 71 A C 2.462 180.042 177.584 -0.008 0.000 1.176 71 A CA 1.938 53.965 52.037 -0.016 0.000 0.631 71 A CB -0.511 18.514 19.000 0.042 0.000 0.814 71 A HN 0.175 nan 8.150 nan 0.000 0.446 72 S N -0.398 115.275 115.700 -0.045 0.000 2.387 72 S HA -0.031 4.439 4.470 -0.000 0.000 0.226 72 S C 1.795 176.410 174.600 0.025 0.000 1.026 72 S CA 1.183 59.389 58.200 0.009 0.000 0.972 72 S CB -0.426 62.765 63.200 -0.015 0.000 0.814 72 S HN 0.545 nan 8.310 nan 0.000 0.477 73 I N 0.510 121.013 120.570 -0.113 0.000 2.142 73 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 73 I C 2.071 178.236 176.117 0.081 0.000 1.078 73 I CA 1.386 62.626 61.300 -0.099 0.000 1.343 73 I CB -0.472 37.370 38.000 -0.264 0.000 1.046 73 I HN 0.260 nan 8.210 nan 0.000 0.405 74 Y N 0.899 121.235 120.300 0.060 0.000 2.165 74 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 74 Y C 2.684 178.623 175.900 0.065 0.000 1.155 74 Y CA 0.831 58.961 58.100 0.049 0.000 1.164 74 Y CB -1.395 37.073 38.460 0.013 0.000 0.978 74 Y HN 0.134 nan 8.280 nan 0.000 0.513 75 A N -0.571 122.385 122.820 0.227 0.000 1.930 75 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 75 A C 2.212 179.880 177.584 0.141 0.000 1.175 75 A CA 1.327 53.447 52.037 0.138 0.000 0.627 75 A CB -1.324 17.738 19.000 0.104 0.000 0.815 75 A HN 0.447 nan 8.150 nan 0.000 0.443 76 F N 0.508 120.500 119.950 0.069 0.000 2.102 76 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 76 F C 1.930 177.797 175.800 0.112 0.000 1.105 76 F CA 1.741 59.814 58.000 0.122 0.000 1.239 76 F CB -0.154 38.909 39.000 0.105 0.000 0.991 76 F HN 0.134 nan 8.300 nan 0.000 0.474 77 L N -0.782 120.652 121.223 0.351 0.000 2.083 77 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 77 L C 2.462 179.374 176.870 0.069 0.000 1.083 77 L CA 1.307 56.282 54.840 0.225 0.000 0.752 77 L CB -0.829 41.363 42.059 0.221 0.000 0.899 77 L HN 0.081 nan 8.230 nan 0.000 0.433 78 S N -0.518 115.208 115.700 0.044 0.000 2.383 78 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 78 S C 1.917 176.450 174.600 -0.111 0.000 1.026 78 S CA 1.278 59.464 58.200 -0.023 0.000 0.981 78 S CB -0.145 63.044 63.200 -0.018 0.000 0.818 78 S HN 0.353 nan 8.310 nan 0.000 0.472 79 M N 1.345 120.820 119.600 -0.209 0.000 2.175 79 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 79 M C 1.933 177.951 176.300 -0.469 0.000 1.063 79 M CA 1.357 56.393 55.300 -0.441 0.000 1.119 79 M CB -0.114 32.028 32.600 -0.764 0.000 1.377 79 M HN 0.242 nan 8.290 nan 0.000 0.415 80 E N -0.156 119.854 120.200 -0.316 0.000 2.077 80 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 80 E C 2.014 178.553 176.600 -0.102 0.000 0.989 80 E CA 1.536 57.837 56.400 -0.165 0.000 0.800 80 E CB -0.126 29.562 29.700 -0.019 0.000 0.746 80 E HN 0.678 nan 8.360 nan 0.000 0.452 81 Q N 0.037 119.794 119.800 -0.071 0.000 2.079 81 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 81 Q C 2.214 178.194 176.000 -0.034 0.000 0.974 81 Q CA 1.230 57.016 55.803 -0.028 0.000 0.840 81 Q CB -0.125 28.607 28.738 -0.010 0.000 0.898 81 Q HN 0.214 nan 8.270 nan 0.000 0.430 82 A N 0.907 123.682 122.820 -0.074 0.000 1.902 82 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 82 A C 2.033 179.602 177.584 -0.024 0.000 1.181 82 A CA 1.185 53.199 52.037 -0.038 0.000 0.623 82 A CB -0.639 18.335 19.000 -0.045 0.000 0.818 82 A HN 0.306 nan 8.150 nan 0.000 0.443 83 I N -0.314 120.182 120.570 -0.123 0.000 2.179 83 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 83 I C 2.977 179.086 176.117 -0.013 0.000 1.088 83 I CA 1.088 62.316 61.300 -0.120 0.000 1.357 83 I CB -0.352 37.459 38.000 -0.314 0.000 1.051 83 I HN 0.359 nan 8.210 nan 0.000 0.409 84 A N 0.376 123.193 122.820 -0.005 0.000 1.877 84 A HA -0.292 4.028 4.320 -0.000 0.000 0.216 84 A C 2.020 179.632 177.584 0.047 0.000 1.186 84 A CA 2.278 54.334 52.037 0.032 0.000 0.620 84 A CB -0.768 18.250 19.000 0.030 0.000 0.822 84 A HN 0.431 nan 8.150 nan 0.000 0.443 85 D N -0.243 120.191 120.400 0.056 0.000 2.178 85 D HA -0.021 4.619 4.640 -0.000 0.000 0.201 85 D C 1.825 178.193 176.300 0.114 0.000 0.980 85 D CA 1.432 55.491 54.000 0.098 0.000 0.842 85 D CB -0.147 40.736 40.800 0.139 0.000 0.948 85 D HN 0.345 nan 8.370 nan 0.000 0.472 86 A N -0.695 122.180 122.820 0.092 0.000 2.167 86 A HA 0.368 4.688 4.320 -0.000 0.000 0.214 86 A C 1.840 179.468 177.584 0.073 0.000 1.151 86 A CA 1.055 53.144 52.037 0.085 0.000 0.735 86 A CB -0.574 18.460 19.000 0.057 0.000 0.802 86 A HN 0.462 nan 8.150 nan 0.000 0.467 87 G N -0.880 107.961 108.800 0.069 0.000 2.221 87 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.265 87 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.265 87 G C -0.084 174.869 174.900 0.088 0.000 1.041 87 G CA 0.390 45.531 45.100 0.067 0.000 0.807 87 G HN 0.462 nan 8.290 nan 0.000 0.502 88 L N 1.333 122.625 121.223 0.116 0.000 2.289 88 L HA 0.589 4.929 4.340 -0.000 0.000 0.285 88 L C 1.100 178.117 176.870 0.245 0.000 1.049 88 L CA -0.293 54.658 54.840 0.186 0.000 0.804 88 L CB 1.644 43.840 42.059 0.228 0.000 1.195 88 L HN 0.408 nan 8.230 nan 0.000 0.428 89 S N 1.953 117.777 115.700 0.207 0.000 2.654 89 S HA 0.450 4.920 4.470 -0.000 0.000 0.283 89 S C -2.030 172.634 174.600 0.107 0.000 1.180 89 S CA -1.374 56.921 58.200 0.158 0.000 1.021 89 S CB 1.692 64.937 63.200 0.074 0.000 1.018 89 S HN 0.348 nan 8.310 nan 0.000 0.532 90 P HA -0.213 nan 4.420 nan 0.000 0.217 90 P C 1.262 178.339 177.300 -0.371 0.000 1.158 90 P CA 1.521 64.407 63.100 -0.356 0.000 0.887 90 P CB -0.082 31.517 31.700 -0.168 0.000 0.792 91 E N -0.611 119.492 120.200 -0.162 0.000 2.515 91 E HA -0.035 4.315 4.350 -0.000 0.000 0.201 91 E C 1.372 177.924 176.600 -0.080 0.000 1.071 91 E CA 1.048 57.376 56.400 -0.121 0.000 0.880 91 E CB -0.839 28.824 29.700 -0.062 0.000 0.828 91 E HN 0.246 nan 8.360 nan 0.000 0.540 92 A N 0.353 123.139 122.820 -0.056 0.000 2.140 92 A HA 0.111 4.430 4.320 -0.000 0.000 0.209 92 A C 1.419 179.081 177.584 0.130 0.000 1.181 92 A CA 0.463 52.540 52.037 0.067 0.000 0.824 92 A CB -0.205 18.886 19.000 0.152 0.000 0.879 92 A HN 0.374 nan 8.150 nan 0.000 0.480 93 Y N -1.859 118.483 120.300 0.070 0.000 2.448 93 Y HA 0.447 4.997 4.550 -0.000 0.000 0.257 93 Y C 0.361 176.293 175.900 0.053 0.000 1.089 93 Y CA -0.686 57.472 58.100 0.097 0.000 1.245 93 Y CB -0.127 38.466 38.460 0.222 0.000 1.282 93 Y HN 0.121 nan 8.280 nan 0.000 0.529 94 Q N 2.457 121.977 119.800 -0.468 0.000 2.261 94 Q HA 0.228 4.568 4.340 -0.000 0.000 0.252 94 Q C -0.296 175.523 176.000 -0.302 0.000 0.915 94 Q CA -0.434 55.159 55.803 -0.350 0.000 0.915 94 Q CB 0.591 29.067 28.738 -0.436 0.000 1.204 94 Q HN 0.366 nan 8.270 nan 0.000 0.421 95 N N 1.935 120.345 118.700 -0.484 0.000 2.740 95 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 95 N C -1.078 174.196 175.510 -0.393 0.000 1.062 95 N CA 0.683 53.208 53.050 -0.875 0.000 0.704 95 N CB -1.042 37.169 38.487 -0.458 0.000 0.968 95 N HN 0.604 nan 8.380 nan 0.000 0.547 96 N N 0.233 118.817 118.700 -0.193 0.000 2.483 96 N HA 0.324 5.064 4.740 -0.000 0.000 0.267 96 N C -2.008 173.549 175.510 0.079 0.000 0.998 96 N CA -1.840 51.203 53.050 -0.012 0.000 0.918 96 N CB 1.685 40.180 38.487 0.013 0.000 1.215 96 N HN -0.192 nan 8.380 nan 0.000 0.500 97 P HA -0.001 nan 4.420 nan 0.000 0.225 97 P C 0.624 177.962 177.300 0.062 0.000 1.148 97 P CA 0.895 64.061 63.100 0.111 0.000 0.779 97 P CB 0.376 32.130 31.700 0.090 0.000 0.780 98 R N -1.000 119.523 120.500 0.038 0.000 2.334 98 R HA 0.203 4.543 4.340 -0.000 0.000 0.220 98 R C -0.112 176.168 176.300 -0.034 0.000 0.917 98 R CA 0.107 56.206 56.100 -0.003 0.000 1.073 98 R CB 0.034 30.325 30.300 -0.014 0.000 1.056 98 R HN 0.139 nan 8.270 nan 0.000 0.506 99 V N 0.348 120.270 119.914 0.012 0.000 2.444 99 V HA 0.621 4.741 4.120 -0.000 0.000 0.294 99 V C 0.446 176.578 176.094 0.063 0.000 1.022 99 V CA -0.785 61.524 62.300 0.014 0.000 0.850 99 V CB 1.708 33.596 31.823 0.108 0.000 0.992 99 V HN 0.288 nan 8.190 nan 0.000 0.426 100 G N 3.212 112.018 108.800 0.010 0.000 3.140 100 G HA2 0.850 4.810 3.960 -0.000 0.000 0.271 100 G HA3 0.850 4.810 3.960 -0.000 0.000 0.271 100 G C -1.690 173.245 174.900 0.058 0.000 1.370 100 G CA -0.782 44.332 45.100 0.023 0.000 1.014 100 G HN 0.703 nan 8.290 nan 0.000 0.541 101 L N -0.393 120.822 121.223 -0.015 0.000 2.505 101 L HA 0.703 5.043 4.340 -0.000 0.000 0.266 101 L C -1.581 175.198 176.870 -0.152 0.000 0.954 101 L CA -0.733 54.101 54.840 -0.010 0.000 0.852 101 L CB 1.823 43.902 42.059 0.033 0.000 1.282 101 L HN 0.435 nan 8.230 nan 0.000 0.403 102 I N 5.318 125.801 120.570 -0.145 0.000 2.493 102 I HA 0.715 4.885 4.170 -0.000 0.000 0.279 102 I C -0.537 175.537 176.117 -0.072 0.000 1.045 102 I CA -0.278 60.906 61.300 -0.193 0.000 1.106 102 I CB 1.716 39.571 38.000 -0.242 0.000 1.216 102 I HN 0.673 nan 8.210 nan 0.000 0.459 103 A N 4.236 127.040 122.820 -0.027 0.000 2.520 103 A HA 0.971 5.291 4.320 -0.000 0.000 0.298 103 A C -0.585 177.022 177.584 0.039 0.000 1.051 103 A CA -0.448 51.592 52.037 0.005 0.000 0.690 103 A CB 1.899 20.899 19.000 0.001 0.000 1.281 103 A HN 0.731 nan 8.150 nan 0.000 0.402 104 G N -0.259 108.569 108.800 0.047 0.000 2.827 104 G HA2 0.833 4.793 3.960 -0.000 0.000 0.296 104 G HA3 0.833 4.793 3.960 -0.000 0.000 0.296 104 G C -0.490 174.443 174.900 0.055 0.000 1.362 104 G CA 0.163 45.300 45.100 0.062 0.000 0.809 104 G HN 1.883 nan 8.290 nan 0.000 0.522 105 S N -2.239 113.496 115.700 0.059 0.000 2.661 105 S HA 0.691 5.161 4.470 -0.000 0.000 0.285 105 S C 0.953 175.587 174.600 0.057 0.000 1.138 105 S CA 0.268 58.501 58.200 0.055 0.000 0.855 105 S CB 1.452 64.687 63.200 0.058 0.000 1.136 105 S HN 1.466 nan 8.310 nan 0.000 0.484 106 G N -0.278 108.552 108.800 0.050 0.000 2.426 106 G HA2 0.349 4.309 3.960 -0.000 0.000 0.214 106 G HA3 0.349 4.309 3.960 -0.000 0.000 0.214 106 G C 0.871 175.813 174.900 0.070 0.000 1.156 106 G CA 0.380 45.513 45.100 0.055 0.000 0.802 106 G HN 1.244 nan 8.290 nan 0.000 0.534 107 G N -1.129 107.715 108.800 0.073 0.000 3.441 107 G HA2 0.469 4.429 3.960 -0.000 0.000 0.263 107 G HA3 0.469 4.429 3.960 -0.000 0.000 0.263 107 G C 1.034 175.974 174.900 0.067 0.000 1.014 107 G CA 0.785 45.930 45.100 0.076 0.000 0.833 107 G HN 1.091 nan 8.290 nan 0.000 0.514 108 G N 0.467 109.306 108.800 0.065 0.000 2.601 108 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.306 108 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.306 108 G C 0.419 175.363 174.900 0.072 0.000 1.172 108 G CA 0.753 45.892 45.100 0.065 0.000 0.966 108 G HN 1.454 nan 8.290 nan 0.000 0.542 109 S N 1.477 117.229 115.700 0.087 0.000 2.383 109 S HA 0.644 5.114 4.470 -0.000 0.000 0.196 109 S C -1.377 173.280 174.600 0.095 0.000 1.364 109 S CA 0.075 58.345 58.200 0.117 0.000 1.212 109 S CB 1.727 65.048 63.200 0.200 0.000 1.171 109 S HN 0.269 nan 8.310 nan 0.000 0.456 110 P HA -0.093 nan 4.420 nan 0.000 0.216 110 P C 1.547 178.805 177.300 -0.069 0.000 1.150 110 P CA 0.656 63.746 63.100 -0.018 0.000 0.837 110 P CB 0.131 31.800 31.700 -0.051 0.000 0.786 111 R N -0.733 119.703 120.500 -0.106 0.000 2.094 111 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 111 R C 1.875 178.036 176.300 -0.231 0.000 1.137 111 R CA 1.839 57.798 56.100 -0.235 0.000 0.943 111 R CB -1.040 29.082 30.300 -0.297 0.000 0.850 111 R HN 0.098 nan 8.270 nan 0.000 0.433 112 F N 0.295 120.254 119.950 0.015 0.000 2.456 112 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 112 F C 2.524 178.416 175.800 0.153 0.000 1.104 112 F CA 0.746 58.800 58.000 0.090 0.000 1.435 112 F CB -0.121 38.892 39.000 0.021 0.000 1.078 112 F HN 0.178 nan 8.300 nan 0.000 0.546 113 Q N 0.586 120.510 119.800 0.206 0.000 2.083 113 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 113 Q C 2.122 178.181 176.000 0.097 0.000 0.969 113 Q CA 1.612 57.501 55.803 0.143 0.000 0.838 113 Q CB -0.558 28.232 28.738 0.087 0.000 0.900 113 Q HN 0.261 nan 8.270 nan 0.000 0.436 114 V N 0.660 120.603 119.914 0.049 0.000 2.379 114 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 114 V C 2.028 178.152 176.094 0.050 0.000 1.044 114 V CA 1.672 63.983 62.300 0.017 0.000 1.036 114 V CB -0.828 30.961 31.823 -0.057 0.000 0.664 114 V HN 0.443 nan 8.190 nan 0.000 0.453 115 F N 2.266 122.177 119.950 -0.064 0.000 2.126 115 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 115 F C 2.133 177.947 175.800 0.024 0.000 1.096 115 F CA 1.824 59.797 58.000 -0.045 0.000 1.255 115 F CB -0.822 38.107 39.000 -0.120 0.000 0.997 115 F HN 0.129 nan 8.300 nan 0.000 0.479 116 G N -0.143 108.692 108.800 0.058 0.000 2.421 116 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 116 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 116 G C 1.806 176.629 174.900 -0.127 0.000 1.171 116 G CA 0.867 45.938 45.100 -0.048 0.000 0.775 116 G HN 0.636 nan 8.290 nan 0.000 0.543 117 A N 0.756 123.541 122.820 -0.060 0.000 1.930 117 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 117 A C 2.091 179.624 177.584 -0.086 0.000 1.175 117 A CA 2.055 54.061 52.037 -0.052 0.000 0.627 117 A CB -0.322 18.670 19.000 -0.013 0.000 0.815 117 A HN 0.272 nan 8.150 nan 0.000 0.443 118 D N 0.096 120.425 120.400 -0.118 0.000 2.117 118 D HA -0.009 4.631 4.640 -0.000 0.000 0.198 118 D C 2.254 178.443 176.300 -0.184 0.000 0.982 118 D CA 1.527 55.457 54.000 -0.118 0.000 0.828 118 D CB -0.393 40.353 40.800 -0.090 0.000 0.967 118 D HN 0.394 nan 8.370 nan 0.000 0.464 119 A N 0.513 123.123 122.820 -0.351 0.000 1.898 119 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 119 A C 2.122 179.592 177.584 -0.191 0.000 1.181 119 A CA 1.579 53.404 52.037 -0.353 0.000 0.620 119 A CB -0.522 18.095 19.000 -0.639 0.000 0.819 119 A HN 0.162 nan 8.150 nan 0.000 0.442 120 M N -0.029 119.474 119.600 -0.160 0.000 2.213 120 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 120 M C 1.714 177.975 176.300 -0.064 0.000 1.062 120 M CA 1.484 56.731 55.300 -0.090 0.000 1.105 120 M CB -0.413 32.147 32.600 -0.066 0.000 1.385 120 M HN 0.345 nan 8.290 nan 0.000 0.417 121 R N -0.077 120.384 120.500 -0.065 0.000 2.320 121 R HA 0.237 4.577 4.340 -0.000 0.000 0.211 121 R C 0.906 177.182 176.300 -0.040 0.000 0.931 121 R CA 0.209 56.284 56.100 -0.042 0.000 1.071 121 R CB -0.327 29.954 30.300 -0.033 0.000 1.025 121 R HN 0.450 nan 8.270 nan 0.000 0.495 122 G N 0.995 109.763 108.800 -0.053 0.000 2.537 122 G HA2 0.157 4.117 3.960 -0.000 0.000 0.297 122 G HA3 0.157 4.117 3.960 -0.000 0.000 0.297 122 G C -1.528 173.354 174.900 -0.030 0.000 1.310 122 G CA -1.002 44.073 45.100 -0.041 0.000 1.027 122 G HN -0.080 nan 8.290 nan 0.000 0.505 123 P HA -0.018 nan 4.420 nan 0.000 0.231 123 P C 0.778 178.069 177.300 -0.014 0.000 1.158 123 P CA 0.735 63.826 63.100 -0.014 0.000 0.763 123 P CB 0.384 32.079 31.700 -0.009 0.000 0.805 124 R N -1.312 119.176 120.500 -0.020 0.000 2.509 124 R HA 0.242 4.582 4.340 -0.000 0.000 0.297 124 R C 1.504 177.790 176.300 -0.023 0.000 0.951 124 R CA 0.408 56.498 56.100 -0.017 0.000 1.103 124 R CB 0.376 30.670 30.300 -0.010 0.000 1.283 124 R HN 0.116 nan 8.270 nan 0.000 0.534 125 G N 2.437 111.217 108.800 -0.033 0.000 2.684 125 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.342 125 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.342 125 G C 0.962 175.840 174.900 -0.037 0.000 1.316 125 G CA 0.771 45.849 45.100 -0.037 0.000 0.994 125 G HN 0.212 nan 8.290 nan 0.000 0.541 126 L N 0.421 121.629 121.223 -0.026 0.000 2.081 126 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 126 L C 3.052 179.912 176.870 -0.015 0.000 1.080 126 L CA 2.384 57.211 54.840 -0.021 0.000 0.754 126 L CB -0.536 41.513 42.059 -0.017 0.000 0.893 126 L HN 0.554 nan 8.230 nan 0.000 0.433 127 K N -0.055 120.338 120.400 -0.012 0.000 2.097 127 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 127 K C 2.190 178.798 176.600 0.013 0.000 1.049 127 K CA 1.389 57.675 56.287 -0.002 0.000 0.933 127 K CB -0.257 32.243 32.500 -0.000 0.000 0.717 127 K HN 0.320 nan 8.250 nan 0.000 0.442 128 A N 0.990 123.809 122.820 -0.001 0.000 1.968 128 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 128 A C 2.334 179.928 177.584 0.018 0.000 1.169 128 A CA 0.865 52.904 52.037 0.004 0.000 0.638 128 A CB -0.353 18.614 19.000 -0.055 0.000 0.812 128 A HN 0.050 nan 8.150 nan 0.000 0.446 129 V N -0.482 119.423 119.914 -0.016 0.000 2.358 129 V HA 0.184 4.304 4.120 -0.000 0.000 0.246 129 V C 1.619 177.826 176.094 0.189 0.000 1.047 129 V CA 1.112 63.433 62.300 0.034 0.000 1.035 129 V CB -1.946 29.878 31.823 0.002 0.000 0.658 129 V HN 1.226 nan 8.190 nan 0.000 0.452 130 G N 0.658 109.510 108.800 0.087 0.000 2.781 130 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.683 130 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.683 130 G C -1.769 173.090 174.900 -0.069 0.000 1.390 130 G CA -0.090 45.031 45.100 0.035 0.000 0.850 130 G HN 0.325 nan 8.290 nan 0.000 0.557 131 P HA 0.287 nan 4.420 nan 0.000 0.263 131 P C -0.069 176.930 177.300 -0.502 0.000 1.448 131 P CA 0.461 63.317 63.100 -0.406 0.000 0.983 131 P CB 0.004 31.397 31.700 -0.511 0.000 1.481 132 Y N -1.696 118.583 120.300 -0.036 0.000 2.500 132 Y HA 0.126 4.676 4.550 -0.000 0.000 0.246 132 Y C 2.149 178.014 175.900 -0.057 0.000 1.146 132 Y CA -0.198 57.844 58.100 -0.097 0.000 1.230 132 Y CB -0.177 38.114 38.460 -0.281 0.000 1.214 132 Y HN -0.283 nan 8.280 nan 0.000 0.526 133 V N -1.109 118.881 119.914 0.127 0.000 2.427 133 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 133 V C 2.082 178.239 176.094 0.105 0.000 1.051 133 V CA 1.615 63.998 62.300 0.138 0.000 1.048 133 V CB -0.702 31.268 31.823 0.245 0.000 0.666 133 V HN 0.227 nan 8.190 nan 0.000 0.456 134 V N 1.239 121.214 119.914 0.101 0.000 2.287 134 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 134 V C 2.791 178.935 176.094 0.084 0.000 1.053 134 V CA 2.652 65.004 62.300 0.088 0.000 1.027 134 V CB -1.373 30.497 31.823 0.078 0.000 0.646 134 V HN 0.812 nan 8.190 nan 0.000 0.447 135 T N -2.164 112.459 114.554 0.114 0.000 2.995 135 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 135 T C 1.706 176.428 174.700 0.036 0.000 1.091 135 T CA 1.158 63.317 62.100 0.099 0.000 1.128 135 T CB -0.214 68.769 68.868 0.193 0.000 0.891 135 T HN 0.478 nan 8.240 nan 0.000 0.492 136 K N 0.978 121.367 120.400 -0.020 0.000 2.137 136 K HA 0.354 4.673 4.320 -0.000 0.000 0.202 136 K C 2.653 179.249 176.600 -0.007 0.000 1.052 136 K CA 0.903 57.110 56.287 -0.133 0.000 0.961 136 K CB -0.132 32.091 32.500 -0.462 0.000 0.741 136 K HN 0.399 nan 8.250 nan 0.000 0.452 137 A N 1.896 124.752 122.820 0.060 0.000 2.030 137 A HA 0.071 4.391 4.320 -0.000 0.000 0.215 137 A C 1.235 178.863 177.584 0.075 0.000 1.164 137 A CA -0.041 52.057 52.037 0.102 0.000 0.697 137 A CB -0.432 18.648 19.000 0.133 0.000 0.827 137 A HN 0.326 nan 8.150 nan 0.000 0.457 138 M N -1.433 118.204 119.600 0.061 0.000 2.252 138 M HA 0.428 4.908 4.480 -0.000 0.000 0.329 138 M C 0.938 177.269 176.300 0.053 0.000 1.101 138 M CA 0.461 55.794 55.300 0.054 0.000 1.117 138 M CB 0.416 33.046 32.600 0.049 0.000 1.563 138 M HN 0.075 nan 8.290 nan 0.000 0.445 139 A N 2.274 125.125 122.820 0.052 0.000 2.076 139 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 139 A C 2.036 179.655 177.584 0.058 0.000 1.160 139 A CA 1.900 53.970 52.037 0.055 0.000 0.653 139 A CB -0.891 18.140 19.000 0.052 0.000 0.801 139 A HN 1.018 nan 8.150 nan 0.000 0.455 140 S N -1.092 114.642 115.700 0.057 0.000 2.597 140 S HA 0.305 4.775 4.470 -0.000 0.000 0.224 140 S C 1.621 176.254 174.600 0.055 0.000 0.955 140 S CA 0.573 58.811 58.200 0.064 0.000 0.933 140 S CB -0.257 62.985 63.200 0.069 0.000 0.788 140 S HN 0.553 nan 8.310 nan 0.000 0.488 141 G N 2.102 110.930 108.800 0.047 0.000 2.469 141 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 141 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 141 G C 1.300 176.224 174.900 0.040 0.000 1.150 141 G CA 1.155 46.276 45.100 0.036 0.000 0.763 141 G HN 0.473 nan 8.290 nan 0.000 0.561 142 V N 1.675 121.617 119.914 0.048 0.000 2.332 142 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 142 V C 3.251 179.381 176.094 0.061 0.000 1.055 142 V CA 2.528 64.862 62.300 0.056 0.000 1.038 142 V CB -0.385 31.471 31.823 0.055 0.000 0.651 142 V HN 0.646 nan 8.190 nan 0.000 0.450 143 S N 0.327 116.061 115.700 0.056 0.000 2.388 143 S HA 0.041 4.511 4.470 -0.000 0.000 0.223 143 S C 2.119 176.751 174.600 0.054 0.000 1.034 143 S CA 0.895 59.125 58.200 0.049 0.000 0.963 143 S CB -0.314 62.914 63.200 0.045 0.000 0.827 143 S HN 0.515 nan 8.310 nan 0.000 0.481 144 A N 0.965 123.814 122.820 0.047 0.000 1.902 144 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 144 A C 2.355 179.949 177.584 0.018 0.000 1.181 144 A CA 1.547 53.600 52.037 0.026 0.000 0.623 144 A CB -1.491 17.515 19.000 0.011 0.000 0.818 144 A HN 0.691 nan 8.150 nan 0.000 0.443 145 C N -1.289 118.032 119.300 0.035 0.000 2.472 145 C HA 0.146 4.606 4.460 -0.000 0.000 0.278 145 C C 2.302 177.379 174.990 0.146 0.000 1.447 145 C CA 0.692 59.737 59.018 0.045 0.000 1.773 145 C CB -1.244 26.520 27.740 0.040 0.000 1.793 145 C HN 0.537 nan 8.230 nan 0.000 0.544 146 L N 0.375 121.708 121.223 0.184 0.000 2.362 146 L HA 0.256 4.596 4.340 -0.000 0.000 0.204 146 L C 2.640 179.688 176.870 0.297 0.000 1.060 146 L CA 1.566 56.599 54.840 0.322 0.000 0.827 146 L CB -1.127 41.056 42.059 0.206 0.000 1.027 146 L HN 0.155 nan 8.230 nan 0.000 0.474 147 A N -0.891 122.022 122.820 0.155 0.000 1.940 147 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 147 A C 2.308 179.976 177.584 0.140 0.000 1.176 147 A CA 2.463 54.581 52.037 0.135 0.000 0.631 147 A CB -0.979 18.071 19.000 0.084 0.000 0.814 147 A HN 0.410 nan 8.150 nan 0.000 0.446 148 T N 0.369 114.973 114.554 0.084 0.000 2.668 148 T HA -0.066 4.284 4.350 -0.000 0.000 0.262 148 T C -0.006 174.712 174.700 0.031 0.000 1.045 148 T CA 1.641 63.761 62.100 0.033 0.000 1.152 148 T CB -1.056 67.778 68.868 -0.057 0.000 0.864 148 T HN 0.525 nan 8.240 nan 0.000 0.419 149 P HA -0.018 nan 4.420 nan 0.000 0.218 149 P C 0.832 178.051 177.300 -0.136 0.000 1.149 149 P CA 1.100 64.151 63.100 -0.081 0.000 0.817 149 P CB -0.273 31.370 31.700 -0.096 0.000 0.785 150 F N 0.409 120.398 119.950 0.065 0.000 2.773 150 F HA 0.161 4.688 4.527 -0.000 0.000 0.304 150 F C 0.916 176.766 175.800 0.083 0.000 1.129 150 F CA 0.020 58.060 58.000 0.066 0.000 1.378 150 F CB -0.208 38.762 39.000 -0.051 0.000 1.095 150 F HN -0.224 nan 8.300 nan 0.000 0.565 151 K N 0.414 120.918 120.400 0.174 0.000 3.096 151 K HA -0.197 4.123 4.320 -0.000 0.000 0.266 151 K C -0.397 176.282 176.600 0.131 0.000 1.043 151 K CA 0.332 56.683 56.287 0.107 0.000 0.758 151 K CB -2.271 30.220 32.500 -0.015 0.000 1.260 151 K HN 0.204 nan 8.250 nan 0.000 0.481 152 I N 1.292 121.991 120.570 0.214 0.000 2.496 152 I HA 0.023 4.193 4.170 -0.000 0.000 0.285 152 I C 1.910 178.217 176.117 0.317 0.000 1.080 152 I CA 0.362 61.796 61.300 0.223 0.000 1.404 152 I CB 0.318 38.429 38.000 0.186 0.000 1.403 152 I HN 0.230 nan 8.210 nan 0.000 0.539 153 H N 3.371 122.487 119.070 0.076 0.000 2.827 153 H HA 0.179 4.735 4.556 -0.000 0.000 0.269 153 H C 1.333 176.685 175.328 0.040 0.000 1.031 153 H CA -0.053 56.025 56.048 0.049 0.000 1.202 153 H CB 1.375 31.160 29.762 0.039 0.000 1.511 153 H HN 0.776 nan 8.280 nan 0.000 0.517 154 G N 1.070 109.962 108.800 0.154 0.000 2.783 154 G HA2 0.219 4.179 3.960 -0.000 0.000 0.182 154 G HA3 0.219 4.179 3.960 -0.000 0.000 0.182 154 G C 0.137 175.065 174.900 0.046 0.000 1.516 154 G CA 0.018 45.166 45.100 0.079 0.000 1.079 154 G HN 0.115 nan 8.290 nan 0.000 0.573 155 V N -0.608 119.308 119.914 0.002 0.000 2.740 155 V HA 0.465 4.585 4.120 -0.000 0.000 0.303 155 V C -0.303 175.731 176.094 -0.101 0.000 1.054 155 V CA -0.434 61.844 62.300 -0.036 0.000 1.106 155 V CB 1.098 32.852 31.823 -0.114 0.000 0.957 155 V HN 0.705 nan 8.190 nan 0.000 0.486 156 N N 3.799 122.461 118.700 -0.065 0.000 2.571 156 N HA 0.555 5.295 4.740 -0.000 0.000 0.286 156 N C -1.157 174.391 175.510 0.063 0.000 1.138 156 N CA -0.577 52.443 53.050 -0.050 0.000 0.859 156 N CB 1.242 39.751 38.487 0.036 0.000 1.414 156 N HN 1.023 nan 8.380 nan 0.000 0.529 157 Y N -1.066 119.252 120.300 0.030 0.000 2.814 157 Y HA 0.622 5.172 4.550 -0.000 0.000 0.348 157 Y C -1.447 174.469 175.900 0.027 0.000 1.245 157 Y CA -1.184 56.931 58.100 0.025 0.000 1.086 157 Y CB 0.340 38.811 38.460 0.019 0.000 1.373 157 Y HN 0.124 nan 8.280 nan 0.000 0.451 158 S N 1.534 117.426 115.700 0.319 0.000 2.537 158 S HA 0.728 5.198 4.470 -0.000 0.000 0.301 158 S C -0.902 173.841 174.600 0.239 0.000 1.092 158 S CA -0.746 57.579 58.200 0.208 0.000 1.048 158 S CB 1.242 64.517 63.200 0.125 0.000 1.053 158 S HN 0.527 nan 8.310 nan 0.000 0.501 159 I N 1.827 122.510 120.570 0.188 0.000 2.441 159 I HA 0.473 4.643 4.170 -0.000 0.000 0.295 159 I C -0.164 176.025 176.117 0.120 0.000 0.994 159 I CA -0.339 61.054 61.300 0.155 0.000 1.144 159 I CB 2.010 40.114 38.000 0.174 0.000 1.314 159 I HN 0.484 nan 8.210 nan 0.000 0.445 160 S N 3.219 118.978 115.700 0.098 0.000 2.557 160 S HA 0.611 5.081 4.470 -0.000 0.000 0.291 160 S C -0.406 174.257 174.600 0.106 0.000 1.116 160 S CA -0.418 57.839 58.200 0.096 0.000 0.992 160 S CB 1.078 64.325 63.200 0.077 0.000 1.028 160 S HN 0.668 nan 8.310 nan 0.000 0.484 161 S N 2.798 118.581 115.700 0.137 0.000 2.607 161 S HA 0.624 5.094 4.470 -0.000 0.000 0.196 161 S C 0.520 175.205 174.600 0.143 0.000 0.911 161 S CA -0.058 58.242 58.200 0.167 0.000 1.133 161 S CB -0.168 63.214 63.200 0.303 0.000 1.612 161 S HN 1.886 nan 8.310 nan 0.000 0.437 162 A N 2.250 125.129 122.820 0.098 0.000 5.391 162 A HA -0.272 4.048 4.320 -0.000 0.000 0.315 162 A C 1.741 179.339 177.584 0.023 0.000 1.874 162 A CA 1.387 53.452 52.037 0.047 0.000 0.714 162 A CB -2.221 16.809 19.000 0.050 0.000 1.335 162 A HN 1.407 nan 8.150 nan 0.000 0.382 163 S N 0.152 115.859 115.700 0.010 0.000 2.547 163 S HA 0.264 4.734 4.470 -0.000 0.000 0.235 163 S C 1.672 176.284 174.600 0.019 0.000 0.980 163 S CA 1.570 59.815 58.200 0.075 0.000 0.941 163 S CB -0.291 63.064 63.200 0.258 0.000 0.763 163 S HN 1.749 nan 8.310 nan 0.000 0.532 164 A N 0.938 123.758 122.820 0.001 0.000 2.267 164 A HA 0.203 4.522 4.320 -0.000 0.000 0.213 164 A C 1.926 179.491 177.584 -0.031 0.000 1.192 164 A CA 0.412 52.395 52.037 -0.090 0.000 0.851 164 A CB -0.693 18.244 19.000 -0.104 0.000 0.881 164 A HN 0.336 nan 8.150 nan 0.000 0.494 165 T N 1.548 116.144 114.554 0.070 0.000 2.481 165 T HA -0.286 4.064 4.350 -0.000 0.000 0.252 165 T C 2.259 176.998 174.700 0.065 0.000 1.242 165 T CA 2.867 65.029 62.100 0.103 0.000 1.170 165 T CB -0.620 68.291 68.868 0.071 0.000 0.860 165 T HN 0.819 nan 8.240 nan 0.000 0.422 166 S N 1.622 117.326 115.700 0.007 0.000 2.474 166 S HA 0.125 4.595 4.470 -0.000 0.000 0.235 166 S C 2.258 176.822 174.600 -0.060 0.000 0.997 166 S CA 0.868 59.054 58.200 -0.022 0.000 0.949 166 S CB -0.481 62.693 63.200 -0.044 0.000 0.766 166 S HN 0.585 nan 8.310 nan 0.000 0.517 167 A N 1.723 124.485 122.820 -0.097 0.000 1.897 167 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 167 A C 1.928 179.443 177.584 -0.115 0.000 1.181 167 A CA 1.296 53.245 52.037 -0.146 0.000 0.620 167 A CB -1.016 17.855 19.000 -0.215 0.000 0.821 167 A HN 0.680 nan 8.150 nan 0.000 0.443 168 H N -1.630 117.457 119.070 0.029 0.000 2.423 168 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 168 H C 2.165 177.480 175.328 -0.021 0.000 1.075 168 H CA 1.219 57.310 56.048 0.071 0.000 1.342 168 H CB -0.131 29.703 29.762 0.118 0.000 1.395 168 H HN 0.541 nan 8.280 nan 0.000 0.530 169 C N 0.209 119.558 119.300 0.081 0.000 2.429 169 C HA -0.126 4.333 4.460 -0.000 0.000 0.277 169 C C 2.671 177.610 174.990 -0.085 0.000 1.262 169 C CA 0.747 59.773 59.018 0.013 0.000 1.733 169 C CB -0.760 26.980 27.740 0.000 0.000 2.010 169 C HN 0.537 nan 8.230 nan 0.000 0.483 170 I N 0.959 121.448 120.570 -0.136 0.000 2.252 170 I HA -0.081 4.089 4.170 -0.000 0.000 0.245 170 I C 2.720 178.631 176.117 -0.344 0.000 1.102 170 I CA 1.730 62.908 61.300 -0.203 0.000 1.385 170 I CB -0.922 36.965 38.000 -0.189 0.000 1.064 170 I HN 0.440 nan 8.210 nan 0.000 0.414 171 G N 0.535 108.984 108.800 -0.585 0.000 2.418 171 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 171 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 171 G C 1.452 175.933 174.900 -0.699 0.000 1.158 171 G CA 0.735 45.001 45.100 -1.390 0.000 0.771 171 G HN 0.390 nan 8.290 nan 0.000 0.545 172 N N 0.904 119.446 118.700 -0.264 0.000 2.188 172 N HA -0.061 4.679 4.740 -0.000 0.000 0.184 172 N C 2.548 178.021 175.510 -0.061 0.000 1.018 172 N CA 0.988 54.022 53.050 -0.027 0.000 0.858 172 N CB -0.095 38.449 38.487 0.094 0.000 0.989 172 N HN 0.245 nan 8.380 nan 0.000 0.426 173 A N 0.858 123.604 122.820 -0.124 0.000 1.902 173 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 173 A C 2.426 179.937 177.584 -0.122 0.000 1.181 173 A CA 1.216 53.175 52.037 -0.130 0.000 0.623 173 A CB -0.798 18.109 19.000 -0.156 0.000 0.818 173 A HN 0.181 nan 8.150 nan 0.000 0.443 174 V N 0.094 119.917 119.914 -0.151 0.000 2.287 174 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 174 V C 2.411 178.476 176.094 -0.049 0.000 1.053 174 V CA 2.393 64.626 62.300 -0.112 0.000 1.027 174 V CB -0.887 30.851 31.823 -0.141 0.000 0.646 174 V HN 0.652 nan 8.190 nan 0.000 0.447 175 E N -0.583 119.605 120.200 -0.020 0.000 2.110 175 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 175 E C 2.399 179.010 176.600 0.018 0.000 0.988 175 E CA 1.065 57.486 56.400 0.036 0.000 0.804 175 E CB -0.152 29.602 29.700 0.090 0.000 0.745 175 E HN 0.540 nan 8.360 nan 0.000 0.458 176 Q N 0.243 120.042 119.800 -0.000 0.000 2.135 176 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 176 Q C 2.236 178.223 176.000 -0.022 0.000 0.981 176 Q CA 1.135 56.935 55.803 -0.005 0.000 0.856 176 Q CB -0.147 28.575 28.738 -0.027 0.000 0.902 176 Q HN 0.436 nan 8.270 nan 0.000 0.425 177 I N 0.458 121.003 120.570 -0.041 0.000 2.286 177 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 177 I C 2.286 178.390 176.117 -0.022 0.000 1.104 177 I CA 0.854 62.126 61.300 -0.047 0.000 1.397 177 I CB -0.254 37.703 38.000 -0.071 0.000 1.072 177 I HN 0.215 nan 8.210 nan 0.000 0.417 178 Q N 0.583 120.377 119.800 -0.009 0.000 2.226 178 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 178 Q C 2.109 178.114 176.000 0.009 0.000 0.975 178 Q CA 1.177 56.983 55.803 0.005 0.000 0.866 178 Q CB -0.043 28.707 28.738 0.020 0.000 0.915 178 Q HN 0.546 nan 8.270 nan 0.000 0.440 179 L N -0.790 120.438 121.223 0.010 0.000 2.599 179 L HA 0.093 4.433 4.340 -0.000 0.000 0.230 179 L C 1.160 178.035 176.870 0.008 0.000 1.141 179 L CA 0.385 55.233 54.840 0.013 0.000 0.877 179 L CB -0.103 41.967 42.059 0.019 0.000 1.009 179 L HN 0.406 nan 8.230 nan 0.000 0.447 180 G N 0.274 109.075 108.800 0.001 0.000 2.148 180 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 180 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 180 G C 1.000 175.899 174.900 -0.002 0.000 0.981 180 G CA 0.616 45.715 45.100 -0.001 0.000 0.670 180 G HN 0.398 nan 8.290 nan 0.000 0.528 181 K N -0.879 119.520 120.400 -0.002 0.000 2.243 181 K HA 0.107 4.427 4.320 -0.000 0.000 0.201 181 K C 0.988 177.580 176.600 -0.012 0.000 1.051 181 K CA 0.797 57.085 56.287 0.001 0.000 0.970 181 K CB 0.073 32.580 32.500 0.012 0.000 0.755 181 K HN 0.438 nan 8.250 nan 0.000 0.465 182 Q N -0.236 119.544 119.800 -0.034 0.000 2.421 182 Q HA 0.161 4.501 4.340 -0.000 0.000 0.280 182 Q C -0.494 175.444 176.000 -0.103 0.000 1.085 182 Q CA -0.356 55.408 55.803 -0.065 0.000 0.807 182 Q CB 1.979 30.670 28.738 -0.079 0.000 1.405 182 Q HN -0.036 nan 8.270 nan 0.000 0.419 183 D N 0.142 120.446 120.400 -0.160 0.000 2.380 183 D HA 0.297 4.937 4.640 -0.000 0.000 0.212 183 D C 0.233 176.316 176.300 -0.361 0.000 1.021 183 D CA 0.704 54.546 54.000 -0.264 0.000 0.884 183 D CB 1.481 42.055 40.800 -0.376 0.000 1.001 183 D HN 0.360 nan 8.370 nan 0.000 0.506 184 I N 0.848 121.219 120.570 -0.331 0.000 2.607 184 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 184 I C -1.241 174.652 176.117 -0.373 0.000 1.129 184 I CA -0.786 60.277 61.300 -0.395 0.000 1.042 184 I CB 3.302 41.023 38.000 -0.465 0.000 1.242 184 I HN -0.414 nan 8.210 nan 0.000 0.421 185 V N 5.776 125.437 119.914 -0.423 0.000 2.569 185 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 185 V C -0.752 175.094 176.094 -0.413 0.000 1.044 185 V CA -0.587 61.513 62.300 -0.334 0.000 0.874 185 V CB 1.843 33.540 31.823 -0.210 0.000 1.002 185 V HN 0.387 nan 8.190 nan 0.000 0.424 186 F N 3.489 123.329 119.950 -0.183 0.000 2.444 186 F HA 0.666 5.193 4.527 -0.000 0.000 0.360 186 F C 0.767 176.459 175.800 -0.180 0.000 1.106 186 F CA -0.018 57.858 58.000 -0.207 0.000 1.170 186 F CB 1.065 39.901 39.000 -0.272 0.000 1.113 186 F HN 0.571 nan 8.300 nan 0.000 0.521 187 A N 2.748 125.547 122.820 -0.036 0.000 2.355 187 A HA 0.941 5.261 4.320 -0.000 0.000 0.317 187 A C 0.034 177.582 177.584 -0.060 0.000 1.094 187 A CA 0.079 52.077 52.037 -0.065 0.000 0.764 187 A CB 1.296 20.231 19.000 -0.109 0.000 1.230 187 A HN 0.977 nan 8.150 nan 0.000 0.448 188 G N -0.253 108.517 108.800 -0.051 0.000 2.392 188 G HA2 0.735 4.695 3.960 -0.000 0.000 0.260 188 G HA3 0.735 4.695 3.960 -0.000 0.000 0.260 188 G C -0.259 174.625 174.900 -0.026 0.000 1.226 188 G CA 0.387 45.456 45.100 -0.051 0.000 0.913 188 G HN 2.153 nan 8.290 nan 0.000 0.483 189 G N -2.244 106.547 108.800 -0.016 0.000 2.430 189 G HA2 0.835 4.795 3.960 -0.000 0.000 0.300 189 G HA3 0.835 4.795 3.960 -0.000 0.000 0.300 189 G C -0.595 174.325 174.900 0.033 0.000 1.330 189 G CA 0.565 45.672 45.100 0.012 0.000 0.813 189 G HN 2.060 nan 8.290 nan 0.000 0.487 190 G N -1.258 107.577 108.800 0.057 0.000 2.646 190 G HA2 0.659 4.619 3.960 -0.000 0.000 0.291 190 G HA3 0.659 4.619 3.960 -0.000 0.000 0.291 190 G C -2.017 172.946 174.900 0.105 0.000 1.445 190 G CA -0.309 44.856 45.100 0.107 0.000 0.814 190 G HN 0.698 nan 8.290 nan 0.000 0.495 191 E N -0.251 120.043 120.200 0.156 0.000 2.321 191 E HA 0.370 4.720 4.350 -0.000 0.000 0.281 191 E C -0.204 176.510 176.600 0.189 0.000 0.910 191 E CA -0.687 55.784 56.400 0.117 0.000 0.770 191 E CB 1.563 31.292 29.700 0.048 0.000 1.225 191 E HN 0.708 nan 8.360 nan 0.000 0.417 192 E N 2.936 123.214 120.200 0.129 0.000 2.371 192 E HA 0.400 4.750 4.350 -0.000 0.000 0.257 192 E C -0.745 175.913 176.600 0.096 0.000 1.134 192 E CA -0.809 55.669 56.400 0.130 0.000 0.919 192 E CB 1.116 30.847 29.700 0.052 0.000 1.025 192 E HN 0.240 nan 8.360 nan 0.000 0.438 193 L N 2.187 123.449 121.223 0.065 0.000 2.342 193 L HA 0.428 4.768 4.340 -0.000 0.000 0.276 193 L C -1.283 175.624 176.870 0.062 0.000 0.997 193 L CA -0.314 54.525 54.840 -0.002 0.000 0.838 193 L CB 0.793 42.711 42.059 -0.236 0.000 1.224 193 L HN 0.927 nan 8.230 nan 0.000 0.416 194 C N 1.933 121.325 119.300 0.153 0.000 3.285 194 C HA 0.454 4.914 4.460 -0.000 0.000 0.325 194 C C 1.056 176.148 174.990 0.170 0.000 1.304 194 C CA -0.982 58.131 59.018 0.159 0.000 1.319 194 C CB 0.753 28.457 27.740 -0.061 0.000 1.640 194 C HN 1.024 nan 8.230 nan 0.000 0.477 195 W N 0.805 122.215 121.300 0.183 0.000 2.425 195 W HA 0.055 4.714 4.660 -0.000 0.000 0.277 195 W C 1.034 177.619 176.519 0.111 0.000 1.231 195 W CA 1.713 59.133 57.345 0.124 0.000 1.248 195 W CB -1.037 28.458 29.460 0.059 0.000 1.117 195 W HN 0.862 nan 8.180 nan 0.000 0.568 196 E N 0.858 120.427 120.200 -1.052 0.000 2.097 196 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 196 E C 2.339 178.778 176.600 -0.268 0.000 1.000 196 E CA 2.649 58.462 56.400 -0.980 0.000 0.804 196 E CB -0.664 28.510 29.700 -0.876 0.000 0.740 196 E HN 0.345 nan 8.360 nan 0.000 0.454 197 M N -0.626 118.915 119.600 -0.098 0.000 2.299 197 M HA 0.088 4.568 4.480 -0.000 0.000 0.264 197 M C 2.132 178.595 176.300 0.273 0.000 1.095 197 M CA 1.203 56.559 55.300 0.093 0.000 1.165 197 M CB 0.059 32.737 32.600 0.130 0.000 1.349 197 M HN 0.173 nan 8.290 nan 0.000 0.446 198 A N 0.625 123.613 122.820 0.279 0.000 1.917 198 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 198 A C 2.342 180.126 177.584 0.333 0.000 1.182 198 A CA 1.962 54.207 52.037 0.347 0.000 0.633 198 A CB -1.797 17.372 19.000 0.282 0.000 0.819 198 A HN 0.874 nan 8.150 nan 0.000 0.448 199 C N -0.586 118.887 119.300 0.288 0.000 2.419 199 C HA -0.071 4.389 4.460 -0.000 0.000 0.281 199 C C 2.173 177.267 174.990 0.174 0.000 1.336 199 C CA 1.047 60.213 59.018 0.246 0.000 1.770 199 C CB -1.612 26.321 27.740 0.322 0.000 1.929 199 C HN 0.661 nan 8.230 nan 0.000 0.509 200 E N 0.418 120.696 120.200 0.130 0.000 2.110 200 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 200 E C 1.745 178.313 176.600 -0.054 0.000 0.988 200 E CA 1.441 57.835 56.400 -0.009 0.000 0.804 200 E CB -0.314 29.309 29.700 -0.130 0.000 0.745 200 E HN 0.780 nan 8.360 nan 0.000 0.458 201 F N 1.002 121.014 119.950 0.103 0.000 2.206 201 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 201 F C 2.198 178.016 175.800 0.029 0.000 1.090 201 F CA 0.952 59.009 58.000 0.094 0.000 1.323 201 F CB -0.041 38.994 39.000 0.059 0.000 1.028 201 F HN -0.041 nan 8.300 nan 0.000 0.492 202 D N 0.175 120.695 120.400 0.200 0.000 2.144 202 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 202 D C 2.269 178.616 176.300 0.080 0.000 0.978 202 D CA 1.158 55.218 54.000 0.101 0.000 0.833 202 D CB -0.205 40.650 40.800 0.092 0.000 0.961 202 D HN 0.152 nan 8.370 nan 0.000 0.470 203 A N 0.780 123.648 122.820 0.081 0.000 2.076 203 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 203 A C 2.174 179.785 177.584 0.044 0.000 1.160 203 A CA 1.726 53.795 52.037 0.054 0.000 0.653 203 A CB -0.739 18.290 19.000 0.048 0.000 0.801 203 A HN 0.516 nan 8.150 nan 0.000 0.455 204 M N -3.536 116.099 119.600 0.058 0.000 2.383 204 M HA 0.464 4.944 4.480 -0.000 0.000 0.247 204 M C 1.020 177.363 176.300 0.072 0.000 1.117 204 M CA 0.750 56.084 55.300 0.056 0.000 0.995 204 M CB 0.262 32.896 32.600 0.056 0.000 1.480 204 M HN 0.611 nan 8.290 nan 0.000 0.485 205 G N 0.857 109.698 108.800 0.069 0.000 2.143 205 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 205 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 205 G C 0.825 175.767 174.900 0.070 0.000 0.991 205 G CA 0.429 45.562 45.100 0.056 0.000 0.689 205 G HN 0.773 nan 8.290 nan 0.000 0.522 206 A N -0.807 122.078 122.820 0.109 0.000 2.119 206 A HA 0.608 4.928 4.320 -0.000 0.000 0.216 206 A C 1.316 178.784 177.584 -0.193 0.000 1.152 206 A CA 0.831 52.935 52.037 0.113 0.000 0.708 206 A CB 0.059 19.293 19.000 0.391 0.000 0.805 206 A HN 0.660 nan 8.150 nan 0.000 0.460 207 L N -0.243 120.849 121.223 -0.218 0.000 2.379 207 L HA 0.339 4.679 4.340 -0.000 0.000 0.269 207 L C 0.775 177.570 176.870 -0.126 0.000 1.084 207 L CA -0.572 54.072 54.840 -0.326 0.000 0.802 207 L CB 1.497 43.406 42.059 -0.250 0.000 1.175 207 L HN 0.161 nan 8.230 nan 0.000 0.448 208 S N -0.044 115.608 115.700 -0.080 0.000 2.564 208 S HA 0.195 4.665 4.470 -0.000 0.000 0.278 208 S C 0.664 175.263 174.600 -0.002 0.000 1.333 208 S CA 0.197 58.414 58.200 0.030 0.000 1.048 208 S CB 0.530 63.799 63.200 0.116 0.000 0.900 208 S HN 0.827 nan 8.310 nan 0.000 0.505 209 T N 1.134 115.678 114.554 -0.016 0.000 3.080 209 T HA 0.340 4.689 4.350 -0.000 0.000 0.280 209 T C 0.770 175.385 174.700 -0.142 0.000 0.926 209 T CA -0.451 61.592 62.100 -0.095 0.000 0.883 209 T CB -0.152 68.650 68.868 -0.110 0.000 1.194 209 T HN 0.587 nan 8.240 nan 0.000 0.541 210 K N 0.293 120.573 120.400 -0.200 0.000 2.404 210 K HA 0.252 4.572 4.320 -0.000 0.000 0.194 210 K C -0.322 175.893 176.600 -0.641 0.000 1.023 210 K CA 0.346 56.363 56.287 -0.450 0.000 1.094 210 K CB 0.140 32.259 32.500 -0.636 0.000 0.841 210 K HN 0.487 nan 8.250 nan 0.000 0.523 211 Y N -0.255 120.041 120.300 -0.007 0.000 2.713 211 Y HA 0.206 4.756 4.550 -0.000 0.000 0.269 211 Y C 0.828 176.748 175.900 0.033 0.000 1.106 211 Y CA -0.684 57.423 58.100 0.013 0.000 1.174 211 Y CB 0.118 38.592 38.460 0.024 0.000 1.186 211 Y HN -0.011 nan 8.280 nan 0.000 0.555 212 N N 0.731 119.491 118.700 0.099 0.000 2.205 212 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 212 N C 0.974 176.594 175.510 0.182 0.000 1.015 212 N CA 1.486 54.629 53.050 0.154 0.000 0.862 212 N CB 0.046 38.591 38.487 0.097 0.000 0.986 212 N HN 0.482 nan 8.380 nan 0.000 0.429 213 D N -0.246 120.216 120.400 0.104 0.000 2.277 213 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 213 D C 0.446 176.792 176.300 0.076 0.000 0.962 213 D CA 0.888 54.922 54.000 0.057 0.000 0.865 213 D CB 0.101 40.915 40.800 0.024 0.000 0.939 213 D HN 0.325 nan 8.370 nan 0.000 0.510 214 T N -1.733 112.898 114.554 0.129 0.000 3.410 214 T HA 0.331 4.681 4.350 -0.000 0.000 0.328 214 T C -2.305 172.478 174.700 0.138 0.000 1.567 214 T CA -1.696 60.476 62.100 0.120 0.000 1.626 214 T CB 1.869 70.812 68.868 0.126 0.000 0.939 214 T HN -0.280 nan 8.240 nan 0.000 0.656 215 P HA -0.195 nan 4.420 nan 0.000 0.217 215 P C 1.307 178.666 177.300 0.099 0.000 1.158 215 P CA 1.414 64.604 63.100 0.151 0.000 0.887 215 P CB 0.088 31.897 31.700 0.183 0.000 0.792 216 E N -0.720 119.523 120.200 0.072 0.000 2.515 216 E HA -0.121 4.229 4.350 -0.000 0.000 0.201 216 E C 1.204 177.799 176.600 -0.008 0.000 1.071 216 E CA 0.672 57.094 56.400 0.036 0.000 0.880 216 E CB -0.316 29.402 29.700 0.030 0.000 0.828 216 E HN 0.436 nan 8.360 nan 0.000 0.540 217 K N -0.328 120.053 120.400 -0.032 0.000 2.402 217 K HA 0.225 4.545 4.320 -0.000 0.000 0.203 217 K C 1.772 178.173 176.600 -0.331 0.000 1.077 217 K CA 0.277 56.474 56.287 -0.149 0.000 1.051 217 K CB 0.733 33.152 32.500 -0.134 0.000 0.907 217 K HN -0.020 nan 8.250 nan 0.000 0.554 218 A N 1.332 124.062 122.820 -0.150 0.000 1.883 218 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 218 A C 1.420 178.940 177.584 -0.105 0.000 1.186 218 A CA 1.342 53.327 52.037 -0.087 0.000 0.624 218 A CB -0.225 18.845 19.000 0.117 0.000 0.822 218 A HN 0.167 nan 8.150 nan 0.000 0.444 219 S N 0.534 116.201 115.700 -0.054 0.000 2.400 219 S HA 0.401 4.871 4.470 -0.000 0.000 0.295 219 S C 0.284 174.831 174.600 -0.088 0.000 1.113 219 S CA -0.606 57.575 58.200 -0.033 0.000 1.064 219 S CB -0.235 62.968 63.200 0.005 0.000 0.990 219 S HN 0.485 nan 8.310 nan 0.000 0.502 220 R N 2.754 123.194 120.500 -0.100 0.000 2.674 220 R HA 0.246 4.586 4.340 -0.000 0.000 0.270 220 R C -0.593 175.647 176.300 -0.101 0.000 1.492 220 R CA -0.657 55.382 56.100 -0.103 0.000 1.624 220 R CB -0.621 29.595 30.300 -0.140 0.000 1.307 220 R HN 0.377 nan 8.270 nan 0.000 0.683 221 T N 2.136 116.585 114.554 -0.175 0.000 2.891 221 T HA -0.101 4.249 4.350 -0.000 0.000 0.296 221 T C -0.036 174.462 174.700 -0.337 0.000 1.025 221 T CA 0.926 62.786 62.100 -0.399 0.000 1.149 221 T CB -0.094 68.400 68.868 -0.624 0.000 1.007 221 T HN 0.581 nan 8.240 nan 0.000 0.528 222 Y N -1.284 119.024 120.300 0.013 0.000 4.779 222 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 222 Y C 0.745 176.648 175.900 0.005 0.000 0.973 222 Y CA 0.550 58.657 58.100 0.012 0.000 1.792 222 Y CB -2.227 36.239 38.460 0.010 0.000 1.120 222 Y HN 0.787 nan 8.280 nan 0.000 0.450 223 D N 0.674 121.132 120.400 0.096 0.000 2.389 223 D HA 0.531 5.171 4.640 -0.000 0.000 0.247 223 D C 1.278 177.594 176.300 0.027 0.000 1.128 223 D CA 0.795 54.836 54.000 0.067 0.000 0.884 223 D CB 1.253 42.083 40.800 0.050 0.000 1.194 223 D HN 0.290 nan 8.370 nan 0.000 0.441 224 A N 3.287 126.080 122.820 -0.045 0.000 2.131 224 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 224 A C 1.098 178.480 177.584 -0.337 0.000 1.158 224 A CA 1.352 53.267 52.037 -0.203 0.000 0.665 224 A CB -0.569 18.243 19.000 -0.313 0.000 0.795 224 A HN 0.798 nan 8.150 nan 0.000 0.460 225 H N -0.627 118.502 119.070 0.099 0.000 2.486 225 H HA 0.177 4.733 4.556 -0.000 0.000 0.284 225 H C 0.368 175.811 175.328 0.192 0.000 1.103 225 H CA -0.450 55.686 56.048 0.145 0.000 1.089 225 H CB 0.163 30.040 29.762 0.191 0.000 1.603 225 H HN 0.577 nan 8.280 nan 0.000 0.557 226 R N 1.422 122.028 120.500 0.176 0.000 2.590 226 R HA 0.028 4.368 4.340 -0.000 0.000 0.274 226 R C -0.374 176.036 176.300 0.183 0.000 1.061 226 R CA 0.260 56.454 56.100 0.156 0.000 1.081 226 R CB 0.529 30.869 30.300 0.066 0.000 0.984 226 R HN 0.260 nan 8.270 nan 0.000 0.448 227 D N 0.780 121.305 120.400 0.208 0.000 2.620 227 D HA 0.219 4.859 4.640 -0.000 0.000 0.260 227 D C 0.144 176.513 176.300 0.114 0.000 1.367 227 D CA -0.038 54.053 54.000 0.152 0.000 0.805 227 D CB 0.672 41.556 40.800 0.140 0.000 1.096 227 D HN 0.843 nan 8.370 nan 0.000 0.488 228 G N 0.453 109.326 108.800 0.122 0.000 2.339 228 G HA2 0.272 4.232 3.960 -0.000 0.000 0.381 228 G HA3 0.272 4.232 3.960 -0.000 0.000 0.381 228 G C -0.947 174.032 174.900 0.133 0.000 1.400 228 G CA -0.712 44.450 45.100 0.103 0.000 1.002 228 G HN 0.228 nan 8.290 nan 0.000 0.633 229 F N -0.446 119.554 119.950 0.085 0.000 2.380 229 F HA 0.836 5.363 4.527 -0.000 0.000 0.321 229 F C 0.075 175.908 175.800 0.055 0.000 1.103 229 F CA -1.564 56.470 58.000 0.057 0.000 1.067 229 F CB 1.542 40.589 39.000 0.078 0.000 1.265 229 F HN 0.372 nan 8.300 nan 0.000 0.517 230 V N 4.602 124.729 119.914 0.355 0.000 2.350 230 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 230 V C 0.295 176.601 176.094 0.354 0.000 1.028 230 V CA -0.824 61.614 62.300 0.230 0.000 0.860 230 V CB 0.984 32.908 31.823 0.169 0.000 0.990 230 V HN 0.854 nan 8.190 nan 0.000 0.453 231 I N 4.926 125.649 120.570 0.256 0.000 2.692 231 I HA 0.476 4.646 4.170 -0.000 0.000 0.284 231 I C 0.500 176.717 176.117 0.167 0.000 1.159 231 I CA 0.558 61.994 61.300 0.227 0.000 1.423 231 I CB 0.775 38.839 38.000 0.106 0.000 1.380 231 I HN 0.787 nan 8.210 nan 0.000 0.580 232 A N 4.905 127.765 122.820 0.066 0.000 2.583 232 A HA 0.903 5.223 4.320 -0.000 0.000 0.289 232 A C -0.589 176.958 177.584 -0.061 0.000 1.151 232 A CA -0.040 51.993 52.037 -0.006 0.000 0.695 232 A CB 1.321 20.325 19.000 0.007 0.000 1.290 232 A HN 0.842 nan 8.150 nan 0.000 0.419 233 G N -1.972 106.754 108.800 -0.123 0.000 3.022 233 G HA2 0.945 4.905 3.960 -0.000 0.000 0.284 233 G HA3 0.945 4.905 3.960 -0.000 0.000 0.284 233 G C 0.040 174.805 174.900 -0.225 0.000 1.375 233 G CA -0.230 44.807 45.100 -0.104 0.000 0.902 233 G HN 2.424 nan 8.290 nan 0.000 0.538 234 G N -2.397 106.229 108.800 -0.291 0.000 2.293 234 G HA2 0.595 4.554 3.960 -0.000 0.000 0.282 234 G HA3 0.595 4.554 3.960 -0.000 0.000 0.282 234 G C -0.219 174.607 174.900 -0.123 0.000 1.299 234 G CA 0.242 45.013 45.100 -0.547 0.000 1.018 234 G HN 2.120 nan 8.290 nan 0.000 0.478 235 G N -1.873 106.870 108.800 -0.096 0.000 2.682 235 G HA2 1.021 4.981 3.960 -0.000 0.000 0.290 235 G HA3 1.021 4.981 3.960 -0.000 0.000 0.290 235 G C -0.332 174.548 174.900 -0.034 0.000 1.425 235 G CA 0.492 45.605 45.100 0.022 0.000 0.807 235 G HN 2.227 nan 8.290 nan 0.000 0.482 236 G N -1.275 107.504 108.800 -0.035 0.000 2.667 236 G HA2 0.656 4.616 3.960 -0.000 0.000 0.294 236 G HA3 0.656 4.616 3.960 -0.000 0.000 0.294 236 G C -1.721 173.136 174.900 -0.072 0.000 1.467 236 G CA -0.556 44.499 45.100 -0.075 0.000 0.852 236 G HN 0.890 nan 8.290 nan 0.000 0.521 237 M N 1.019 120.569 119.600 -0.084 0.000 2.413 237 M HA 0.683 5.163 4.480 -0.000 0.000 0.287 237 M C -0.921 175.331 176.300 -0.080 0.000 1.186 237 M CA -0.663 54.592 55.300 -0.076 0.000 0.927 237 M CB 2.428 34.977 32.600 -0.084 0.000 1.715 237 M HN 1.122 nan 8.290 nan 0.000 0.478 238 V N 1.438 121.306 119.914 -0.076 0.000 2.914 238 V HA 0.902 5.022 4.120 -0.000 0.000 0.314 238 V C -1.125 174.916 176.094 -0.088 0.000 1.084 238 V CA -0.948 61.297 62.300 -0.092 0.000 0.963 238 V CB 1.799 33.545 31.823 -0.129 0.000 1.025 238 V HN 0.598 nan 8.190 nan 0.000 0.432 239 V N 3.330 123.180 119.914 -0.106 0.000 2.364 239 V HA 0.426 4.546 4.120 -0.000 0.000 0.272 239 V C 0.045 176.010 176.094 -0.215 0.000 1.036 239 V CA -0.347 61.812 62.300 -0.234 0.000 0.880 239 V CB 1.239 32.937 31.823 -0.209 0.000 0.991 239 V HN 0.738 nan 8.190 nan 0.000 0.460 240 V N 6.060 125.811 119.914 -0.272 0.000 2.394 240 V HA 0.589 4.709 4.120 -0.000 0.000 0.282 240 V C 0.021 175.974 176.094 -0.234 0.000 1.031 240 V CA -0.388 61.788 62.300 -0.207 0.000 0.881 240 V CB 1.278 32.987 31.823 -0.190 0.000 0.982 240 V HN 1.070 nan 8.190 nan 0.000 0.451 241 E N 2.944 123.041 120.200 -0.171 0.000 2.390 241 E HA 0.434 4.784 4.350 -0.000 0.000 0.277 241 E C -0.954 175.585 176.600 -0.102 0.000 0.939 241 E CA -0.906 55.389 56.400 -0.175 0.000 0.769 241 E CB 1.972 31.555 29.700 -0.195 0.000 1.251 241 E HN 0.468 nan 8.360 nan 0.000 0.450 242 E N 2.177 122.319 120.200 -0.098 0.000 2.452 242 E HA -0.043 4.307 4.350 -0.000 0.000 0.261 242 E C 0.638 177.246 176.600 0.013 0.000 0.987 242 E CA -0.071 56.308 56.400 -0.035 0.000 0.926 242 E CB 1.022 30.708 29.700 -0.023 0.000 0.934 242 E HN 0.667 nan 8.360 nan 0.000 0.452 243 L N 5.683 126.909 121.223 0.005 0.000 1.990 243 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 243 L C 1.949 178.833 176.870 0.022 0.000 1.072 243 L CA 1.948 56.792 54.840 0.007 0.000 0.755 243 L CB -0.398 41.658 42.059 -0.004 0.000 0.889 243 L HN 0.553 nan 8.230 nan 0.000 0.432 244 E N -0.994 119.223 120.200 0.028 0.000 2.085 244 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 244 E C 2.217 178.836 176.600 0.030 0.000 0.994 244 E CA 1.445 57.858 56.400 0.022 0.000 0.801 244 E CB -0.731 28.981 29.700 0.020 0.000 0.743 244 E HN 0.682 nan 8.360 nan 0.000 0.453 245 H N 0.583 119.637 119.070 -0.027 0.000 2.353 245 H HA -0.013 4.543 4.556 -0.000 0.000 0.300 245 H C 1.834 177.144 175.328 -0.029 0.000 1.090 245 H CA 1.717 57.749 56.048 -0.027 0.000 1.327 245 H CB 0.170 29.912 29.762 -0.033 0.000 1.383 245 H HN 0.125 nan 8.280 nan 0.000 0.508 246 A N 1.084 123.979 122.820 0.125 0.000 1.898 246 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 246 A C 2.890 180.469 177.584 -0.008 0.000 1.181 246 A CA 1.018 53.092 52.037 0.062 0.000 0.620 246 A CB -0.756 18.263 19.000 0.031 0.000 0.819 246 A HN 0.404 nan 8.150 nan 0.000 0.442 247 L N -0.784 120.428 121.223 -0.018 0.000 2.056 247 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 247 L C 3.115 179.958 176.870 -0.046 0.000 1.078 247 L CA 1.012 55.834 54.840 -0.029 0.000 0.749 247 L CB -0.589 41.456 42.059 -0.023 0.000 0.901 247 L HN 0.437 nan 8.230 nan 0.000 0.433 248 A N 1.117 123.895 122.820 -0.070 0.000 1.908 248 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 248 A C 2.230 179.756 177.584 -0.096 0.000 1.181 248 A CA 1.909 53.892 52.037 -0.091 0.000 0.627 248 A CB -0.559 18.362 19.000 -0.132 0.000 0.818 248 A HN 0.577 nan 8.150 nan 0.000 0.445 249 R N -0.838 119.593 120.500 -0.116 0.000 2.334 249 R HA 0.328 4.668 4.340 -0.000 0.000 0.220 249 R C 0.902 177.179 176.300 -0.038 0.000 0.917 249 R CA 0.604 56.654 56.100 -0.083 0.000 1.073 249 R CB -0.773 29.468 30.300 -0.098 0.000 1.056 249 R HN 0.762 nan 8.270 nan 0.000 0.506 250 G N 0.856 109.636 108.800 -0.034 0.000 2.338 250 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.296 250 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.296 250 G C 0.220 175.118 174.900 -0.004 0.000 1.040 250 G CA 0.232 45.321 45.100 -0.018 0.000 1.004 250 G HN 0.713 nan 8.290 nan 0.000 0.509 251 A N -0.265 122.553 122.820 -0.003 0.000 2.332 251 A HA 0.636 4.956 4.320 -0.000 0.000 0.258 251 A C 0.399 177.986 177.584 0.006 0.000 1.087 251 A CA 0.120 52.164 52.037 0.012 0.000 0.802 251 A CB 0.407 19.415 19.000 0.012 0.000 1.042 251 A HN 1.390 nan 8.150 nan 0.000 0.489 252 H N 0.893 119.906 119.070 -0.095 0.000 2.690 252 H HA 0.489 5.045 4.556 -0.000 0.000 0.314 252 H C -0.716 174.488 175.328 -0.207 0.000 1.069 252 H CA -0.333 55.611 56.048 -0.173 0.000 1.436 252 H CB 0.071 29.688 29.762 -0.241 0.000 1.462 252 H HN 0.406 nan 8.280 nan 0.000 0.511 253 I N 7.229 127.411 120.570 -0.647 0.000 2.330 253 I HA 0.021 4.191 4.170 -0.000 0.000 0.289 253 I C 0.087 175.815 176.117 -0.647 0.000 1.001 253 I CA -0.505 60.497 61.300 -0.497 0.000 1.193 253 I CB 0.809 38.674 38.000 -0.224 0.000 1.345 253 I HN 0.732 nan 8.210 nan 0.000 0.461 254 Y N 5.155 125.201 120.300 -0.424 0.000 2.153 254 Y HA 0.139 4.689 4.550 -0.000 0.000 0.289 254 Y C 1.303 177.112 175.900 -0.152 0.000 1.127 254 Y CA 1.112 59.056 58.100 -0.260 0.000 1.131 254 Y CB 0.113 38.495 38.460 -0.130 0.000 0.995 254 Y HN 0.676 nan 8.280 nan 0.000 0.505 255 A N -0.859 121.988 122.820 0.046 0.000 2.566 255 A HA 0.439 4.759 4.320 -0.000 0.000 0.290 255 A C -1.465 176.115 177.584 -0.008 0.000 1.071 255 A CA -0.803 51.240 52.037 0.010 0.000 0.658 255 A CB 0.746 19.763 19.000 0.027 0.000 1.285 255 A HN 0.088 nan 8.150 nan 0.000 0.427 256 E N 0.484 120.678 120.200 -0.010 0.000 2.191 256 E HA 0.623 4.973 4.350 -0.000 0.000 0.274 256 E C -1.237 175.359 176.600 -0.006 0.000 0.948 256 E CA -0.605 55.787 56.400 -0.013 0.000 0.802 256 E CB 0.997 30.691 29.700 -0.010 0.000 1.137 256 E HN 0.496 nan 8.360 nan 0.000 0.397 257 I N 5.567 126.130 120.570 -0.013 0.000 2.322 257 I HA 0.042 4.212 4.170 -0.000 0.000 0.292 257 I C 0.952 177.078 176.117 0.016 0.000 1.060 257 I CA -0.315 60.982 61.300 -0.006 0.000 1.309 257 I CB 1.029 39.011 38.000 -0.030 0.000 1.415 257 I HN 0.526 nan 8.210 nan 0.000 0.492 258 V N 2.605 122.537 119.914 0.030 0.000 3.578 258 V HA 0.534 4.654 4.120 -0.000 0.000 0.290 258 V C 0.657 176.790 176.094 0.064 0.000 1.376 258 V CA 0.076 62.400 62.300 0.041 0.000 1.083 258 V CB 0.016 31.858 31.823 0.032 0.000 0.911 258 V HN 0.726 nan 8.190 nan 0.000 0.433 259 G N -0.347 108.503 108.800 0.083 0.000 2.766 259 G HA2 0.531 4.491 3.960 -0.000 0.000 0.297 259 G HA3 0.531 4.491 3.960 -0.000 0.000 0.297 259 G C -2.315 172.693 174.900 0.180 0.000 1.431 259 G CA -0.547 44.621 45.100 0.113 0.000 1.042 259 G HN 0.327 nan 8.290 nan 0.000 0.542 260 Y N 1.438 121.753 120.300 0.025 0.000 2.332 260 Y HA 0.691 5.241 4.550 -0.000 0.000 0.325 260 Y C -0.174 175.747 175.900 0.035 0.000 1.054 260 Y CA -1.204 56.910 58.100 0.023 0.000 1.119 260 Y CB 1.800 40.273 38.460 0.022 0.000 1.168 260 Y HN 0.839 nan 8.280 nan 0.000 0.439 261 G N 3.126 111.804 108.800 -0.203 0.000 2.452 261 G HA2 0.749 4.708 3.960 -0.000 0.000 0.324 261 G HA3 0.749 4.708 3.960 -0.000 0.000 0.324 261 G C -1.721 172.973 174.900 -0.343 0.000 1.214 261 G CA -0.658 44.264 45.100 -0.296 0.000 0.947 261 G HN 1.133 nan 8.290 nan 0.000 0.478 262 A N 1.623 124.257 122.820 -0.311 0.000 2.499 262 A HA 0.822 5.142 4.320 -0.000 0.000 0.280 262 A C 0.036 177.607 177.584 -0.023 0.000 1.135 262 A CA -0.154 51.848 52.037 -0.058 0.000 0.744 262 A CB 1.071 20.040 19.000 -0.052 0.000 1.213 262 A HN 1.438 nan 8.150 nan 0.000 0.434 263 T N -1.336 113.245 114.554 0.045 0.000 2.858 263 T HA 0.865 5.215 4.350 -0.000 0.000 0.285 263 T C -0.122 174.602 174.700 0.041 0.000 1.052 263 T CA -0.576 61.532 62.100 0.014 0.000 1.009 263 T CB 1.793 70.655 68.868 -0.009 0.000 1.241 263 T HN 1.242 nan 8.240 nan 0.000 0.542 264 S N -1.041 114.666 115.700 0.011 0.000 2.536 264 S HA 0.451 4.921 4.470 -0.000 0.000 0.287 264 S C -0.226 174.371 174.600 -0.004 0.000 1.101 264 S CA -0.636 57.574 58.200 0.017 0.000 0.950 264 S CB 1.594 64.799 63.200 0.009 0.000 1.056 264 S HN 0.691 nan 8.310 nan 0.000 0.481 265 D N 2.669 123.067 120.400 -0.002 0.000 2.162 265 D HA 0.160 4.800 4.640 -0.000 0.000 0.203 265 D C 1.435 177.727 176.300 -0.014 0.000 0.967 265 D CA 1.423 55.411 54.000 -0.020 0.000 0.840 265 D CB -0.519 40.268 40.800 -0.022 0.000 0.972 265 D HN 1.040 nan 8.370 nan 0.000 0.482 266 G N 0.257 109.055 108.800 -0.003 0.000 2.323 266 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.292 266 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.292 266 G C 0.638 175.534 174.900 -0.007 0.000 1.040 266 G CA 0.890 45.987 45.100 -0.004 0.000 0.942 266 G HN 0.613 nan 8.290 nan 0.000 0.506 267 A N -0.904 121.912 122.820 -0.007 0.000 1.742 267 A HA 0.662 4.982 4.320 -0.000 0.000 0.167 267 A C 0.381 177.959 177.584 -0.010 0.000 1.913 267 A CA 1.095 53.126 52.037 -0.010 0.000 1.331 267 A CB 0.340 19.330 19.000 -0.016 0.000 0.968 267 A HN 0.547 nan 8.150 nan 0.000 0.739 268 D N -1.172 119.221 120.400 -0.011 0.000 2.252 268 D HA 0.513 5.153 4.640 -0.000 0.000 0.245 268 D C 1.035 177.322 176.300 -0.022 0.000 1.009 268 D CA -0.508 53.480 54.000 -0.020 0.000 0.870 268 D CB 0.933 41.719 40.800 -0.025 0.000 1.251 268 D HN 0.102 nan 8.370 nan 0.000 0.460 269 M N 2.151 121.725 119.600 -0.044 0.000 2.254 269 M HA -0.001 4.479 4.480 -0.000 0.000 0.265 269 M C 1.006 177.210 176.300 -0.161 0.000 1.066 269 M CA 0.882 56.149 55.300 -0.055 0.000 1.123 269 M CB 0.044 32.609 32.600 -0.059 0.000 1.388 269 M HN 0.364 nan 8.290 nan 0.000 0.425 270 V N -1.453 118.309 119.914 -0.253 0.000 3.572 270 V HA 0.314 4.434 4.120 -0.000 0.000 0.260 270 V C 0.582 176.524 176.094 -0.254 0.000 1.324 270 V CA 0.258 62.224 62.300 -0.558 0.000 1.068 270 V CB 0.579 32.065 31.823 -0.560 0.000 0.837 270 V HN 0.260 nan 8.190 nan 0.000 0.450 271 A N 1.859 124.632 122.820 -0.078 0.000 2.350 271 A HA 0.833 5.152 4.320 -0.000 0.000 0.324 271 A C -2.771 174.835 177.584 0.037 0.000 1.118 271 A CA -1.670 50.380 52.037 0.022 0.000 0.783 271 A CB 1.001 20.010 19.000 0.015 0.000 1.236 271 A HN 0.128 nan 8.150 nan 0.000 0.457 272 P HA 0.155 nan 4.420 nan 0.000 0.274 272 P C 0.495 177.775 177.300 -0.034 0.000 1.231 272 P CA -0.091 63.006 63.100 -0.005 0.000 0.790 272 P CB 1.482 33.162 31.700 -0.033 0.000 0.951 273 S N 0.197 115.856 115.700 -0.067 0.000 2.517 273 S HA 0.223 4.693 4.470 -0.000 0.000 0.214 273 S C 1.606 176.161 174.600 -0.075 0.000 0.991 273 S CA 0.657 58.823 58.200 -0.055 0.000 0.906 273 S CB -0.801 62.369 63.200 -0.049 0.000 0.789 273 S HN 0.753 nan 8.310 nan 0.000 0.513 274 G N 2.087 110.808 108.800 -0.132 0.000 2.458 274 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.237 274 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.237 274 G C 0.948 175.771 174.900 -0.128 0.000 1.113 274 G CA 0.598 45.616 45.100 -0.137 0.000 0.655 274 G HN 0.472 nan 8.290 nan 0.000 0.513 275 E N 1.646 121.790 120.200 -0.094 0.000 2.077 275 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 275 E C 2.658 179.203 176.600 -0.091 0.000 0.989 275 E CA 2.277 58.631 56.400 -0.076 0.000 0.800 275 E CB -0.993 28.674 29.700 -0.055 0.000 0.746 275 E HN 0.651 nan 8.360 nan 0.000 0.452 276 G N 0.548 109.280 108.800 -0.113 0.000 2.422 276 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 276 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 276 G C 1.720 176.534 174.900 -0.144 0.000 1.140 276 G CA 1.108 46.143 45.100 -0.109 0.000 0.775 276 G HN 0.419 nan 8.290 nan 0.000 0.545 277 A N 0.223 122.883 122.820 -0.267 0.000 1.930 277 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 277 A C 2.581 180.107 177.584 -0.095 0.000 1.175 277 A CA 1.658 53.506 52.037 -0.316 0.000 0.627 277 A CB -0.534 18.088 19.000 -0.629 0.000 0.815 277 A HN 0.226 nan 8.150 nan 0.000 0.443 278 V N 0.026 119.884 119.914 -0.093 0.000 2.295 278 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 278 V C 2.649 178.709 176.094 -0.057 0.000 1.049 278 V CA 2.295 64.557 62.300 -0.063 0.000 1.024 278 V CB -0.783 31.003 31.823 -0.062 0.000 0.648 278 V HN 0.529 nan 8.190 nan 0.000 0.447 279 R N -1.130 119.337 120.500 -0.055 0.000 2.096 279 R HA -0.180 4.159 4.340 -0.000 0.000 0.235 279 R C 2.403 178.682 176.300 -0.035 0.000 1.127 279 R CA 1.660 57.732 56.100 -0.047 0.000 0.968 279 R CB -0.855 29.416 30.300 -0.047 0.000 0.861 279 R HN 0.561 nan 8.270 nan 0.000 0.440 280 C N 0.736 120.027 119.300 -0.015 0.000 2.432 280 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 280 C C 2.614 177.619 174.990 0.026 0.000 1.249 280 C CA 0.873 59.902 59.018 0.018 0.000 1.725 280 C CB -0.656 27.143 27.740 0.098 0.000 2.028 280 C HN 0.461 nan 8.230 nan 0.000 0.477 281 M N 0.004 119.628 119.600 0.040 0.000 2.132 281 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 281 M C 2.285 178.565 176.300 -0.034 0.000 1.065 281 M CA 1.750 57.065 55.300 0.026 0.000 1.122 281 M CB -0.472 32.144 32.600 0.028 0.000 1.365 281 M HN 0.369 nan 8.290 nan 0.000 0.411 282 K N 0.070 120.434 120.400 -0.060 0.000 2.097 282 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 282 K C 1.989 178.589 176.600 0.000 0.000 1.049 282 K CA 1.363 57.615 56.287 -0.059 0.000 0.933 282 K CB -0.201 32.265 32.500 -0.057 0.000 0.717 282 K HN 0.344 nan 8.250 nan 0.000 0.442 283 M N 0.317 119.911 119.600 -0.011 0.000 2.159 283 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 283 M C 1.983 178.295 176.300 0.020 0.000 1.063 283 M CA 1.577 56.868 55.300 -0.015 0.000 1.110 283 M CB -0.015 32.543 32.600 -0.070 0.000 1.374 283 M HN 0.146 nan 8.290 nan 0.000 0.411 284 A N 0.076 122.907 122.820 0.019 0.000 2.066 284 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 284 A C 1.887 179.511 177.584 0.068 0.000 1.157 284 A CA 1.111 53.178 52.037 0.049 0.000 0.670 284 A CB -0.506 18.530 19.000 0.059 0.000 0.804 284 A HN 0.632 nan 8.150 nan 0.000 0.453 285 M N -0.941 118.691 119.600 0.052 0.000 2.502 285 M HA 0.061 4.541 4.480 -0.000 0.000 0.243 285 M C 0.549 176.873 176.300 0.040 0.000 1.130 285 M CA 0.072 55.396 55.300 0.039 0.000 1.055 285 M CB -0.090 32.506 32.600 -0.007 0.000 1.457 285 M HN 0.398 nan 8.290 nan 0.000 0.488 286 H N 0.965 120.026 119.070 -0.015 0.000 3.070 286 H HA 0.028 4.584 4.556 -0.000 0.000 0.313 286 H C 1.085 176.412 175.328 -0.001 0.000 0.997 286 H CA 2.065 58.105 56.048 -0.014 0.000 1.438 286 H CB 0.552 30.303 29.762 -0.019 0.000 1.455 286 H HN 0.578 nan 8.280 nan 0.000 0.575 287 G N 3.876 112.531 108.800 -0.241 0.000 2.253 287 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 287 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 287 G C 0.193 175.067 174.900 -0.042 0.000 0.998 287 G CA 0.231 45.274 45.100 -0.095 0.000 0.621 287 G HN 0.609 nan 8.290 nan 0.000 0.524 288 V N 3.082 122.980 119.914 -0.026 0.000 2.372 288 V HA 0.329 4.449 4.120 -0.000 0.000 0.261 288 V C 1.314 177.401 176.094 -0.011 0.000 1.055 288 V CA 0.450 62.750 62.300 -0.000 0.000 0.930 288 V CB 1.141 32.980 31.823 0.027 0.000 1.031 288 V HN 0.488 nan 8.190 nan 0.000 0.479 289 D N 2.537 122.931 120.400 -0.010 0.000 2.277 289 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 289 D C 1.093 177.396 176.300 0.006 0.000 0.962 289 D CA 0.527 54.520 54.000 -0.010 0.000 0.865 289 D CB -0.280 40.513 40.800 -0.013 0.000 0.939 289 D HN 0.590 nan 8.370 nan 0.000 0.510 290 T N -1.355 113.208 114.554 0.016 0.000 2.899 290 T HA 0.497 4.847 4.350 -0.000 0.000 0.284 290 T C -2.261 172.464 174.700 0.043 0.000 1.004 290 T CA -1.575 60.540 62.100 0.025 0.000 1.043 290 T CB 1.731 70.613 68.868 0.023 0.000 1.013 290 T HN -0.093 nan 8.240 nan 0.000 0.518 291 P HA 0.350 nan 4.420 nan 0.000 0.276 291 P C -0.568 176.772 177.300 0.068 0.000 1.252 291 P CA -0.743 62.400 63.100 0.071 0.000 0.802 291 P CB 0.579 32.311 31.700 0.053 0.000 1.035 292 I N 2.578 123.200 120.570 0.086 0.000 2.337 292 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 292 I C 1.284 177.381 176.117 -0.033 0.000 1.046 292 I CA 0.209 61.530 61.300 0.035 0.000 1.324 292 I CB 0.225 38.251 38.000 0.043 0.000 1.409 292 I HN 0.312 nan 8.210 nan 0.000 0.494 293 D N 5.052 125.456 120.400 0.007 0.000 2.213 293 D HA -0.091 4.548 4.640 -0.000 0.000 0.205 293 D C 0.051 176.392 176.300 0.068 0.000 0.961 293 D CA 1.441 55.454 54.000 0.022 0.000 0.853 293 D CB 0.412 41.237 40.800 0.042 0.000 0.967 293 D HN 0.516 nan 8.370 nan 0.000 0.496 294 Y N 0.213 120.461 120.300 -0.087 0.000 2.479 294 Y HA 0.464 5.014 4.550 -0.000 0.000 0.338 294 Y C -2.017 173.833 175.900 -0.084 0.000 1.055 294 Y CA -1.131 56.913 58.100 -0.093 0.000 1.023 294 Y CB 1.392 39.801 38.460 -0.084 0.000 1.287 294 Y HN -0.234 nan 8.280 nan 0.000 0.447 295 L N 6.958 127.610 121.223 -0.952 0.000 2.343 295 L HA 0.492 4.831 4.340 -0.000 0.000 0.278 295 L C -1.094 175.185 176.870 -0.986 0.000 0.996 295 L CA -0.542 53.844 54.840 -0.757 0.000 0.831 295 L CB 0.998 42.826 42.059 -0.385 0.000 1.232 295 L HN 0.800 nan 8.230 nan 0.000 0.413 296 N N 3.757 122.023 118.700 -0.723 0.000 2.602 296 N HA 0.100 4.840 4.740 -0.000 0.000 0.238 296 N C -0.255 175.159 175.510 -0.160 0.000 1.084 296 N CA -0.195 52.653 53.050 -0.337 0.000 0.952 296 N CB 0.852 39.296 38.487 -0.072 0.000 1.244 296 N HN 0.733 nan 8.380 nan 0.000 0.512 297 S N 2.374 118.021 115.700 -0.089 0.000 2.589 297 S HA -0.036 4.434 4.470 -0.000 0.000 0.265 297 S C 1.284 175.870 174.600 -0.024 0.000 1.342 297 S CA -0.130 58.069 58.200 -0.002 0.000 1.005 297 S CB 1.042 64.323 63.200 0.135 0.000 0.909 297 S HN 0.710 nan 8.310 nan 0.000 0.555 298 H N 1.689 120.668 119.070 -0.151 0.000 2.403 298 H HA 0.189 4.745 4.556 -0.000 0.000 0.298 298 H C 1.560 176.779 175.328 -0.182 0.000 1.059 298 H CA 0.985 56.888 56.048 -0.240 0.000 1.363 298 H CB -1.057 28.506 29.762 -0.332 0.000 1.410 298 H HN 1.021 nan 8.280 nan 0.000 0.528 299 G N 1.106 109.830 108.800 -0.126 0.000 2.629 299 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.334 299 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.334 299 G C 1.012 175.666 174.900 -0.410 0.000 0.169 299 G CA 1.014 45.956 45.100 -0.264 0.000 1.174 299 G HN 0.733 nan 8.290 nan 0.000 0.506 300 T N -0.875 113.427 114.554 -0.420 0.000 3.129 300 T HA 0.353 4.703 4.350 -0.000 0.000 0.251 300 T C 1.374 176.002 174.700 -0.120 0.000 1.117 300 T CA 0.985 62.848 62.100 -0.395 0.000 1.034 300 T CB 0.242 68.832 68.868 -0.464 0.000 0.968 300 T HN 1.870 nan 8.240 nan 0.000 0.526 301 S N 0.811 116.424 115.700 -0.145 0.000 3.696 301 S HA -0.147 4.323 4.470 -0.000 0.000 0.302 301 S C 0.240 174.866 174.600 0.044 0.000 1.182 301 S CA 0.671 58.826 58.200 -0.076 0.000 0.857 301 S CB -2.223 60.953 63.200 -0.040 0.000 0.960 301 S HN 1.261 nan 8.310 nan 0.000 0.559 302 T N -1.249 113.348 114.554 0.073 0.000 2.895 302 T HA 0.687 5.036 4.350 -0.000 0.000 0.283 302 T C -1.410 173.351 174.700 0.101 0.000 1.014 302 T CA -1.575 60.607 62.100 0.137 0.000 1.037 302 T CB 1.647 70.646 68.868 0.219 0.000 1.006 302 T HN -0.049 nan 8.240 nan 0.000 0.468 303 P HA -0.144 nan 4.420 nan 0.000 0.213 303 P C 1.699 179.051 177.300 0.087 0.000 1.176 303 P CA 0.771 63.922 63.100 0.085 0.000 0.919 303 P CB -0.068 31.680 31.700 0.080 0.000 0.791 304 V N -0.476 119.495 119.914 0.096 0.000 2.323 304 V HA -0.114 4.006 4.120 -0.000 0.000 0.244 304 V C 2.590 178.750 176.094 0.111 0.000 1.041 304 V CA 2.406 64.760 62.300 0.092 0.000 1.025 304 V CB -1.962 29.911 31.823 0.084 0.000 0.656 304 V HN 0.191 nan 8.190 nan 0.000 0.451 305 G N 0.256 109.140 108.800 0.139 0.000 2.491 305 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 305 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 305 G C 1.200 176.198 174.900 0.163 0.000 1.180 305 G CA 1.343 46.545 45.100 0.169 0.000 0.774 305 G HN 0.512 nan 8.290 nan 0.000 0.562 306 D N 0.183 120.657 120.400 0.123 0.000 2.123 306 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 306 D C 2.911 179.356 176.300 0.241 0.000 0.992 306 D CA 1.744 55.835 54.000 0.152 0.000 0.833 306 D CB -0.661 40.170 40.800 0.052 0.000 0.954 306 D HN 0.400 nan 8.370 nan 0.000 0.455 307 V N -1.232 118.784 119.914 0.172 0.000 2.453 307 V HA -0.057 4.063 4.120 -0.000 0.000 0.247 307 V C 2.068 178.227 176.094 0.109 0.000 1.048 307 V CA 0.979 63.362 62.300 0.138 0.000 1.049 307 V CB -0.382 31.500 31.823 0.098 0.000 0.672 307 V HN -0.096 nan 8.190 nan 0.000 0.457 308 K N 0.805 121.264 120.400 0.099 0.000 2.057 308 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 308 K C 2.240 178.880 176.600 0.067 0.000 1.049 308 K CA 2.145 58.469 56.287 0.062 0.000 0.931 308 K CB -0.371 32.155 32.500 0.043 0.000 0.714 308 K HN 0.780 nan 8.250 nan 0.000 0.440 309 E N 0.715 120.996 120.200 0.135 0.000 2.106 309 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 309 E C 2.085 178.787 176.600 0.170 0.000 0.984 309 E CA 0.514 57.028 56.400 0.190 0.000 0.806 309 E CB 0.060 29.974 29.700 0.358 0.000 0.750 309 E HN 0.175 nan 8.360 nan 0.000 0.458 310 L N 0.294 121.611 121.223 0.157 0.000 2.093 310 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 310 L C 2.623 179.536 176.870 0.071 0.000 1.085 310 L CA 0.941 55.840 54.840 0.098 0.000 0.755 310 L CB -0.422 41.676 42.059 0.065 0.000 0.904 310 L HN 0.232 nan 8.230 nan 0.000 0.435 311 A N 0.016 122.874 122.820 0.063 0.000 1.898 311 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 311 A C 2.535 180.143 177.584 0.041 0.000 1.181 311 A CA 1.514 53.576 52.037 0.042 0.000 0.620 311 A CB -0.590 18.427 19.000 0.029 0.000 0.819 311 A HN 0.382 nan 8.150 nan 0.000 0.442 312 A N 0.026 122.870 122.820 0.040 0.000 1.902 312 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 312 A C 2.102 179.730 177.584 0.073 0.000 1.181 312 A CA 1.561 53.614 52.037 0.027 0.000 0.623 312 A CB -0.615 18.381 19.000 -0.005 0.000 0.818 312 A HN 0.504 nan 8.150 nan 0.000 0.443 313 I N -1.045 119.605 120.570 0.134 0.000 2.315 313 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 313 I C 2.776 179.031 176.117 0.229 0.000 1.117 313 I CA 1.255 62.697 61.300 0.238 0.000 1.404 313 I CB -0.328 37.793 38.000 0.203 0.000 1.071 313 I HN 0.303 nan 8.210 nan 0.000 0.419 314 R N 0.419 120.993 120.500 0.123 0.000 2.073 314 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 314 R C 2.266 178.610 176.300 0.074 0.000 1.134 314 R CA 1.167 57.323 56.100 0.094 0.000 0.952 314 R CB -0.250 30.081 30.300 0.051 0.000 0.850 314 R HN 0.286 nan 8.270 nan 0.000 0.433 315 E N 0.323 120.546 120.200 0.039 0.000 2.110 315 E HA -0.136 4.213 4.350 -0.000 0.000 0.193 315 E C 2.111 178.687 176.600 -0.040 0.000 0.988 315 E CA 1.059 57.459 56.400 0.001 0.000 0.804 315 E CB -0.078 29.614 29.700 -0.014 0.000 0.745 315 E HN 0.136 nan 8.360 nan 0.000 0.458 316 V N -0.045 119.821 119.914 -0.081 0.000 2.323 316 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 316 V C 1.881 177.750 176.094 -0.375 0.000 1.041 316 V CA 1.492 63.624 62.300 -0.280 0.000 1.025 316 V CB -0.418 31.126 31.823 -0.465 0.000 0.656 316 V HN 0.142 nan 8.190 nan 0.000 0.451 317 F N -0.306 119.645 119.950 0.001 0.000 2.714 317 F HA 0.451 4.978 4.527 -0.000 0.000 0.294 317 F C 1.923 177.721 175.800 -0.003 0.000 1.120 317 F CA 0.691 58.690 58.000 -0.002 0.000 1.398 317 F CB -0.311 38.686 39.000 -0.004 0.000 1.120 317 F HN 0.266 nan 8.300 nan 0.000 0.589 318 G N 0.971 109.856 108.800 0.142 0.000 2.677 318 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.321 318 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.321 318 G C 0.945 175.894 174.900 0.083 0.000 1.181 318 G CA 0.924 46.074 45.100 0.083 0.000 0.965 318 G HN 0.279 nan 8.290 nan 0.000 0.548 319 D N 1.098 121.539 120.400 0.068 0.000 2.366 319 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 319 D C 1.398 177.727 176.300 0.049 0.000 1.022 319 D CA 0.408 54.436 54.000 0.047 0.000 0.868 319 D CB 0.133 40.952 40.800 0.031 0.000 0.953 319 D HN 0.407 nan 8.370 nan 0.000 0.514 320 K N 2.032 122.480 120.400 0.081 0.000 3.173 320 K HA 0.123 4.443 4.320 -0.000 0.000 0.255 320 K C 0.240 176.866 176.600 0.044 0.000 1.235 320 K CA -0.116 56.212 56.287 0.069 0.000 1.250 320 K CB 0.320 32.879 32.500 0.098 0.000 1.382 320 K HN -0.009 nan 8.250 nan 0.000 0.421 321 S N 1.648 117.342 115.700 -0.010 0.000 2.549 321 S HA 0.250 4.720 4.470 -0.000 0.000 0.279 321 S C -1.555 172.881 174.600 -0.274 0.000 1.321 321 S CA -1.087 57.006 58.200 -0.178 0.000 1.054 321 S CB 0.499 63.641 63.200 -0.097 0.000 0.899 321 S HN 0.181 nan 8.310 nan 0.000 0.497 322 P HA 0.364 nan 4.420 nan 0.000 0.279 322 P C -0.480 176.703 177.300 -0.195 0.000 1.282 322 P CA -0.647 62.257 63.100 -0.327 0.000 0.788 322 P CB 0.416 31.840 31.700 -0.458 0.000 1.139 323 A N 0.472 123.246 122.820 -0.078 0.000 2.425 323 A HA 0.469 4.789 4.320 -0.000 0.000 0.249 323 A C 0.277 177.869 177.584 0.015 0.000 1.084 323 A CA -0.121 51.926 52.037 0.017 0.000 0.781 323 A CB -0.713 18.356 19.000 0.115 0.000 1.019 323 A HN 0.446 nan 8.150 nan 0.000 0.490 324 I N 1.385 121.963 120.570 0.013 0.000 2.647 324 I HA 0.568 4.738 4.170 -0.000 0.000 0.295 324 I C -0.047 176.139 176.117 0.115 0.000 1.078 324 I CA -0.293 60.992 61.300 -0.025 0.000 1.048 324 I CB 2.577 40.513 38.000 -0.107 0.000 1.239 324 I HN 0.774 nan 8.210 nan 0.000 0.421 325 S N 3.538 119.346 115.700 0.180 0.000 2.535 325 S HA 0.807 5.277 4.470 -0.000 0.000 0.272 325 S C -1.160 173.563 174.600 0.205 0.000 1.149 325 S CA -0.780 57.562 58.200 0.237 0.000 0.888 325 S CB 1.855 65.214 63.200 0.266 0.000 1.110 325 S HN 0.828 nan 8.310 nan 0.000 0.463 326 A N 2.364 125.295 122.820 0.184 0.000 2.273 326 A HA 0.613 4.933 4.320 -0.000 0.000 0.320 326 A C 1.191 178.787 177.584 0.020 0.000 1.358 326 A CA -0.193 51.884 52.037 0.066 0.000 0.910 326 A CB -0.009 18.956 19.000 -0.058 0.000 1.159 326 A HN 1.427 nan 8.150 nan 0.000 0.526 327 T N 0.096 114.669 114.554 0.031 0.000 3.007 327 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 327 T C 1.331 176.002 174.700 -0.048 0.000 1.107 327 T CA 1.243 63.332 62.100 -0.018 0.000 1.118 327 T CB -0.292 68.564 68.868 -0.020 0.000 0.889 327 T HN 0.631 nan 8.240 nan 0.000 0.506 328 K N 1.086 121.451 120.400 -0.058 0.000 2.360 328 K HA 0.161 4.481 4.320 -0.000 0.000 0.201 328 K C 2.538 179.101 176.600 -0.063 0.000 1.046 328 K CA 0.831 57.071 56.287 -0.077 0.000 0.945 328 K CB -0.310 32.085 32.500 -0.176 0.000 0.750 328 K HN 0.502 nan 8.250 nan 0.000 0.464 329 A N 0.751 123.530 122.820 -0.069 0.000 2.015 329 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 329 A C 1.968 179.528 177.584 -0.040 0.000 1.163 329 A CA 1.228 53.230 52.037 -0.057 0.000 0.646 329 A CB -0.190 18.778 19.000 -0.053 0.000 0.806 329 A HN 0.184 nan 8.150 nan 0.000 0.448 330 M N -1.253 118.318 119.600 -0.049 0.000 2.412 330 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 330 M C 2.408 178.682 176.300 -0.042 0.000 1.122 330 M CA 1.673 56.941 55.300 -0.053 0.000 1.179 330 M CB -0.093 32.453 32.600 -0.091 0.000 1.335 330 M HN 0.599 nan 8.290 nan 0.000 0.465 331 T N -2.106 112.420 114.554 -0.047 0.000 2.976 331 T HA 0.405 4.755 4.350 -0.000 0.000 0.257 331 T C 1.078 175.794 174.700 0.027 0.000 1.051 331 T CA 0.618 62.710 62.100 -0.012 0.000 1.141 331 T CB -0.094 68.786 68.868 0.019 0.000 0.881 331 T HN 0.549 nan 8.240 nan 0.000 0.461 332 G N 0.901 109.720 108.800 0.032 0.000 2.655 332 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.680 332 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.680 332 G C -0.990 173.960 174.900 0.084 0.000 1.302 332 G CA -0.382 44.766 45.100 0.080 0.000 0.872 332 G HN 0.802 nan 8.290 nan 0.000 0.540 333 H N 0.863 119.916 119.070 -0.029 0.000 2.820 333 H HA 0.578 5.134 4.556 -0.000 0.000 0.278 333 H C 1.709 176.947 175.328 -0.151 0.000 1.142 333 H CA 0.033 55.967 56.048 -0.191 0.000 1.346 333 H CB 0.567 30.023 29.762 -0.510 0.000 1.438 333 H HN 0.842 nan 8.280 nan 0.000 0.473 334 S N 4.864 120.634 115.700 0.116 0.000 2.701 334 S HA 0.095 4.564 4.470 -0.000 0.000 0.220 334 S C 1.385 175.932 174.600 -0.088 0.000 0.954 334 S CA 0.043 58.234 58.200 -0.015 0.000 0.936 334 S CB -0.593 62.602 63.200 -0.009 0.000 0.777 334 S HN 0.721 nan 8.310 nan 0.000 0.518 335 L N -0.070 121.009 121.223 -0.239 0.000 4.638 335 L HA -0.361 3.979 4.340 -0.000 0.000 0.053 335 L C 2.291 179.121 176.870 -0.067 0.000 3.458 335 L CA 1.531 56.179 54.840 -0.320 0.000 1.370 335 L CB -2.122 39.724 42.059 -0.355 0.000 3.074 335 L HN 0.441 nan 8.230 nan 0.000 0.881 336 G N -1.109 107.662 108.800 -0.049 0.000 2.462 336 G HA2 0.021 3.981 3.960 -0.000 0.000 0.220 336 G HA3 0.021 3.981 3.960 -0.000 0.000 0.220 336 G C 1.297 176.195 174.900 -0.003 0.000 1.121 336 G CA 1.363 46.462 45.100 -0.003 0.000 0.758 336 G HN 0.849 nan 8.290 nan 0.000 0.559 337 A N 0.341 123.154 122.820 -0.012 0.000 2.195 337 A HA 0.645 4.965 4.320 -0.000 0.000 0.210 337 A C 2.575 180.128 177.584 -0.052 0.000 1.165 337 A CA 1.289 53.309 52.037 -0.028 0.000 0.806 337 A CB -0.241 18.744 19.000 -0.025 0.000 0.847 337 A HN 0.549 nan 8.150 nan 0.000 0.482 338 A N 0.260 123.067 122.820 -0.021 0.000 1.892 338 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 338 A C 2.380 179.914 177.584 -0.084 0.000 1.188 338 A CA 2.073 54.096 52.037 -0.023 0.000 0.631 338 A CB -1.422 17.613 19.000 0.058 0.000 0.822 338 A HN 0.721 nan 8.150 nan 0.000 0.447 339 G N -0.944 107.809 108.800 -0.078 0.000 2.491 339 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 339 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 339 G C 1.671 176.483 174.900 -0.146 0.000 1.180 339 G CA 1.484 46.515 45.100 -0.115 0.000 0.774 339 G HN 0.683 nan 8.290 nan 0.000 0.562 340 V N 0.097 119.926 119.914 -0.142 0.000 2.453 340 V HA -0.086 4.034 4.120 -0.000 0.000 0.247 340 V C 2.733 178.673 176.094 -0.257 0.000 1.048 340 V CA 2.376 64.574 62.300 -0.169 0.000 1.049 340 V CB -0.216 31.528 31.823 -0.131 0.000 0.672 340 V HN 0.518 nan 8.190 nan 0.000 0.457 341 Q N -0.368 119.250 119.800 -0.304 0.000 2.084 341 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 341 Q C 2.137 177.560 176.000 -0.963 0.000 0.978 341 Q CA 2.124 57.591 55.803 -0.561 0.000 0.844 341 Q CB -0.139 28.339 28.738 -0.432 0.000 0.898 341 Q HN 0.705 nan 8.270 nan 0.000 0.426 342 E N 0.293 120.160 120.200 -0.554 0.000 2.274 342 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 342 E C 1.789 178.260 176.600 -0.214 0.000 0.996 342 E CA 0.657 56.858 56.400 -0.332 0.000 0.840 342 E CB 0.030 29.681 29.700 -0.082 0.000 0.772 342 E HN 0.330 nan 8.360 nan 0.000 0.491 343 A N 0.795 123.476 122.820 -0.231 0.000 1.929 343 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 343 A C 2.093 179.573 177.584 -0.173 0.000 1.176 343 A CA 0.781 52.724 52.037 -0.158 0.000 0.628 343 A CB -0.338 18.569 19.000 -0.156 0.000 0.816 343 A HN 0.141 nan 8.150 nan 0.000 0.444 344 I N -1.368 119.037 120.570 -0.274 0.000 2.252 344 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 344 I C 2.217 178.275 176.117 -0.099 0.000 1.102 344 I CA 1.141 62.294 61.300 -0.244 0.000 1.385 344 I CB -0.373 37.450 38.000 -0.294 0.000 1.064 344 I HN 0.373 nan 8.210 nan 0.000 0.414 345 Y N 0.650 120.923 120.300 -0.045 0.000 2.224 345 Y HA -0.177 4.373 4.550 -0.000 0.000 0.289 345 Y C 2.908 178.780 175.900 -0.045 0.000 1.146 345 Y CA 0.724 58.808 58.100 -0.027 0.000 1.182 345 Y CB -1.313 37.141 38.460 -0.009 0.000 0.983 345 Y HN 0.100 nan 8.280 nan 0.000 0.524 346 S N -0.006 115.766 115.700 0.120 0.000 2.383 346 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 346 S C 2.134 176.746 174.600 0.020 0.000 1.026 346 S CA 0.941 59.199 58.200 0.095 0.000 0.981 346 S CB -0.549 62.715 63.200 0.107 0.000 0.818 346 S HN 0.353 nan 8.310 nan 0.000 0.472 347 L N 1.016 122.231 121.223 -0.015 0.000 2.141 347 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 347 L C 2.135 179.027 176.870 0.036 0.000 1.094 347 L CA 0.866 55.690 54.840 -0.028 0.000 0.763 347 L CB -0.495 41.468 42.059 -0.161 0.000 0.908 347 L HN 0.295 nan 8.230 nan 0.000 0.437 348 L N -1.105 120.157 121.223 0.064 0.000 2.109 348 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 348 L C 2.607 179.587 176.870 0.183 0.000 1.086 348 L CA 1.156 56.131 54.840 0.226 0.000 0.760 348 L CB -0.296 41.915 42.059 0.253 0.000 0.910 348 L HN 0.315 nan 8.230 nan 0.000 0.437 349 M N -0.819 118.695 119.600 -0.144 0.000 2.175 349 M HA -0.216 4.264 4.480 -0.000 0.000 0.264 349 M C 2.264 178.435 176.300 -0.214 0.000 1.063 349 M CA 1.516 56.484 55.300 -0.553 0.000 1.119 349 M CB -0.247 31.901 32.600 -0.752 0.000 1.377 349 M HN 0.208 nan 8.290 nan 0.000 0.415 350 L N 0.545 121.721 121.223 -0.079 0.000 2.056 350 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 350 L C 2.217 179.099 176.870 0.019 0.000 1.078 350 L CA 1.969 56.800 54.840 -0.016 0.000 0.749 350 L CB -0.565 41.504 42.059 0.017 0.000 0.901 350 L HN 0.205 nan 8.230 nan 0.000 0.433 351 E N -1.289 118.941 120.200 0.050 0.000 2.106 351 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 351 E C 1.589 178.065 176.600 -0.207 0.000 0.984 351 E CA 1.423 57.802 56.400 -0.035 0.000 0.806 351 E CB -0.076 29.650 29.700 0.043 0.000 0.750 351 E HN 0.627 nan 8.360 nan 0.000 0.458 352 H N -1.209 117.968 119.070 0.178 0.000 2.594 352 H HA 0.282 4.838 4.556 -0.000 0.000 0.279 352 H C 0.449 175.918 175.328 0.234 0.000 1.042 352 H CA 0.439 56.620 56.048 0.222 0.000 1.177 352 H CB 0.556 30.510 29.762 0.320 0.000 1.524 352 H HN 0.254 nan 8.280 nan 0.000 0.537 353 G N 2.173 111.093 108.800 0.199 0.000 2.370 353 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.293 353 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.293 353 G C -0.267 174.770 174.900 0.228 0.000 0.992 353 G CA 0.849 46.033 45.100 0.139 0.000 1.247 353 G HN 0.522 nan 8.290 nan 0.000 0.505 354 F N -1.375 118.561 119.950 -0.024 0.000 2.719 354 F HA 0.765 5.292 4.527 -0.000 0.000 0.309 354 F C -1.069 174.637 175.800 -0.157 0.000 1.138 354 F CA -2.221 55.741 58.000 -0.064 0.000 0.943 354 F CB 1.074 40.051 39.000 -0.037 0.000 1.304 354 F HN 0.085 nan 8.300 nan 0.000 0.445 355 I N 3.189 123.645 120.570 -0.191 0.000 2.355 355 I HA 0.606 4.776 4.170 -0.000 0.000 0.288 355 I C 0.208 176.240 176.117 -0.141 0.000 0.999 355 I CA -1.050 59.981 61.300 -0.447 0.000 1.163 355 I CB 1.559 39.376 38.000 -0.306 0.000 1.316 355 I HN 0.973 nan 8.210 nan 0.000 0.454 356 A N 9.500 132.171 122.820 -0.248 0.000 2.462 356 A HA 0.433 4.753 4.320 -0.000 0.000 0.243 356 A C -2.288 175.314 177.584 0.028 0.000 1.076 356 A CA -0.913 51.161 52.037 0.062 0.000 0.773 356 A CB -0.369 18.642 19.000 0.018 0.000 1.010 356 A HN 0.436 nan 8.150 nan 0.000 0.493 357 P HA 0.124 nan 4.420 nan 0.000 0.277 357 P C -0.346 176.986 177.300 0.054 0.000 1.240 357 P CA -0.238 62.892 63.100 0.050 0.000 0.798 357 P CB 1.187 32.910 31.700 0.038 0.000 0.979 358 S N 2.423 118.168 115.700 0.075 0.000 2.464 358 S HA 0.365 4.835 4.470 -0.000 0.000 0.313 358 S C 0.624 175.262 174.600 0.064 0.000 1.078 358 S CA -0.856 57.400 58.200 0.092 0.000 1.096 358 S CB -1.449 61.852 63.200 0.168 0.000 1.032 358 S HN 0.344 nan 8.310 nan 0.000 0.498 359 I N 1.819 122.407 120.570 0.029 0.000 3.156 359 I HA 0.473 4.643 4.170 -0.000 0.000 0.306 359 I C 0.325 176.444 176.117 0.003 0.000 1.048 359 I CA -0.558 60.749 61.300 0.013 0.000 1.207 359 I CB 0.270 38.267 38.000 -0.005 0.000 1.456 359 I HN 0.510 nan 8.210 nan 0.000 0.616 360 N N 0.927 119.623 118.700 -0.008 0.000 2.741 360 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 360 N C -0.720 174.786 175.510 -0.006 0.000 1.115 360 N CA 0.929 53.963 53.050 -0.026 0.000 0.724 360 N CB -1.593 36.853 38.487 -0.069 0.000 1.090 360 N HN 0.598 nan 8.380 nan 0.000 0.558 361 I N 0.957 121.543 120.570 0.026 0.000 2.287 361 I HA 0.085 4.255 4.170 -0.000 0.000 0.290 361 I C 1.320 177.466 176.117 0.047 0.000 1.069 361 I CA -0.184 61.146 61.300 0.050 0.000 1.237 361 I CB 0.671 38.717 38.000 0.078 0.000 1.418 361 I HN 0.017 nan 8.210 nan 0.000 0.481 362 E N 3.822 124.056 120.200 0.057 0.000 2.216 362 E HA 0.052 4.402 4.350 -0.000 0.000 0.192 362 E C 0.379 177.025 176.600 0.077 0.000 0.973 362 E CA 0.458 56.897 56.400 0.064 0.000 0.851 362 E CB 0.609 30.354 29.700 0.074 0.000 0.804 362 E HN 0.527 nan 8.360 nan 0.000 0.477 363 E N 1.151 121.405 120.200 0.089 0.000 2.302 363 E HA 0.164 4.514 4.350 -0.000 0.000 0.263 363 E C -1.557 175.073 176.600 0.049 0.000 0.897 363 E CA -0.592 55.852 56.400 0.074 0.000 0.809 363 E CB 1.203 30.965 29.700 0.104 0.000 1.270 363 E HN -0.072 nan 8.360 nan 0.000 0.410 364 L N 4.278 125.526 121.223 0.042 0.000 2.455 364 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 364 L C 0.173 177.059 176.870 0.027 0.000 1.174 364 L CA 0.389 55.254 54.840 0.042 0.000 0.869 364 L CB 0.730 42.805 42.059 0.026 0.000 1.130 364 L HN 0.558 nan 8.230 nan 0.000 0.474 365 D N 3.492 123.918 120.400 0.043 0.000 2.472 365 D HA -0.076 4.564 4.640 -0.000 0.000 0.237 365 D C 0.848 177.158 176.300 0.017 0.000 1.141 365 D CA 0.289 54.306 54.000 0.028 0.000 0.875 365 D CB 0.901 41.741 40.800 0.067 0.000 1.192 365 D HN 0.722 nan 8.370 nan 0.000 0.450 366 E N 2.036 122.242 120.200 0.009 0.000 2.086 366 E HA -0.265 4.085 4.350 -0.000 0.000 0.200 366 E C 1.742 178.346 176.600 0.007 0.000 1.012 366 E CA 1.269 57.673 56.400 0.007 0.000 0.812 366 E CB 0.019 29.723 29.700 0.007 0.000 0.743 366 E HN 0.601 nan 8.360 nan 0.000 0.453 367 Q N -0.454 119.355 119.800 0.015 0.000 2.500 367 Q HA -0.034 4.306 4.340 -0.000 0.000 0.213 367 Q C 1.667 177.666 176.000 -0.002 0.000 0.974 367 Q CA 0.793 56.604 55.803 0.015 0.000 0.918 367 Q CB 0.137 28.893 28.738 0.031 0.000 0.980 367 Q HN 0.222 nan 8.270 nan 0.000 0.505 368 A N 0.673 123.484 122.820 -0.016 0.000 2.238 368 A HA 0.381 4.701 4.320 -0.000 0.000 0.210 368 A C 0.979 178.522 177.584 -0.068 0.000 1.179 368 A CA 0.090 52.081 52.037 -0.077 0.000 0.827 368 A CB 0.128 19.057 19.000 -0.119 0.000 0.856 368 A HN 0.268 nan 8.150 nan 0.000 0.488 369 A N -0.766 122.034 122.820 -0.033 0.000 2.565 369 A HA 0.417 4.737 4.320 -0.000 0.000 0.237 369 A C 1.701 179.269 177.584 -0.028 0.000 1.053 369 A CA 0.806 52.827 52.037 -0.025 0.000 0.755 369 A CB -0.606 18.387 19.000 -0.011 0.000 0.980 369 A HN 1.960 nan 8.150 nan 0.000 0.506 370 G N 1.033 109.817 108.800 -0.028 0.000 2.253 370 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.251 370 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.251 370 G C 0.223 175.102 174.900 -0.036 0.000 0.998 370 G CA 0.380 45.465 45.100 -0.025 0.000 0.621 370 G HN 0.816 nan 8.290 nan 0.000 0.524 371 L N 0.643 121.831 121.223 -0.058 0.000 2.399 371 L HA 0.415 4.755 4.340 -0.000 0.000 0.266 371 L C 0.711 177.533 176.870 -0.080 0.000 1.114 371 L CA -0.778 54.016 54.840 -0.078 0.000 0.804 371 L CB 0.961 42.951 42.059 -0.116 0.000 1.146 371 L HN 0.146 nan 8.230 nan 0.000 0.451 372 N N 2.962 121.615 118.700 -0.077 0.000 3.050 372 N HA 0.203 4.943 4.740 -0.000 0.000 0.289 372 N C -0.665 174.809 175.510 -0.060 0.000 1.209 372 N CA -0.011 53.004 53.050 -0.058 0.000 1.154 372 N CB -0.294 38.165 38.487 -0.047 0.000 1.444 372 N HN 0.381 nan 8.380 nan 0.000 0.529 373 I N 2.284 122.809 120.570 -0.074 0.000 2.301 373 I HA 0.114 4.284 4.170 -0.000 0.000 0.292 373 I C 0.027 176.142 176.117 -0.003 0.000 1.046 373 I CA -0.872 60.389 61.300 -0.067 0.000 1.282 373 I CB 1.024 38.936 38.000 -0.147 0.000 1.409 373 I HN -0.026 nan 8.210 nan 0.000 0.484 374 V N 6.146 126.082 119.914 0.036 0.000 2.446 374 V HA 0.005 4.125 4.120 -0.000 0.000 0.276 374 V C 1.340 177.464 176.094 0.051 0.000 1.030 374 V CA 0.226 62.553 62.300 0.043 0.000 1.033 374 V CB 0.824 32.681 31.823 0.056 0.000 0.993 374 V HN 0.902 nan 8.190 nan 0.000 0.477 375 T N 0.715 115.291 114.554 0.037 0.000 3.092 375 T HA 0.260 4.610 4.350 -0.000 0.000 0.258 375 T C 0.211 174.929 174.700 0.031 0.000 1.031 375 T CA -0.147 61.976 62.100 0.039 0.000 0.925 375 T CB -0.177 68.711 68.868 0.033 0.000 1.036 375 T HN 0.838 nan 8.240 nan 0.000 0.544 376 E N 0.201 120.418 120.200 0.029 0.000 2.354 376 E HA 0.308 4.658 4.350 -0.000 0.000 0.283 376 E C -1.488 175.131 176.600 0.032 0.000 0.938 376 E CA -1.004 55.410 56.400 0.024 0.000 0.777 376 E CB 0.761 30.471 29.700 0.015 0.000 1.222 376 E HN -0.069 nan 8.360 nan 0.000 0.423 377 T N 2.653 117.228 114.554 0.035 0.000 2.819 377 T HA 0.055 4.405 4.350 -0.000 0.000 0.282 377 T C -0.347 174.387 174.700 0.058 0.000 1.013 377 T CA 0.728 62.867 62.100 0.064 0.000 1.159 377 T CB 0.075 68.957 68.868 0.022 0.000 1.007 377 T HN 0.457 nan 8.240 nan 0.000 0.514 378 T N 4.079 118.688 114.554 0.091 0.000 2.881 378 T HA 0.279 4.629 4.350 -0.000 0.000 0.290 378 T C -0.555 174.205 174.700 0.100 0.000 1.000 378 T CA -0.948 61.191 62.100 0.064 0.000 0.978 378 T CB 1.366 70.253 68.868 0.032 0.000 0.997 378 T HN 0.453 nan 8.240 nan 0.000 0.443 379 D N 2.646 123.092 120.400 0.077 0.000 2.304 379 D HA 0.503 5.143 4.640 -0.000 0.000 0.250 379 D C 0.302 176.638 176.300 0.060 0.000 1.107 379 D CA -0.080 53.977 54.000 0.094 0.000 0.885 379 D CB 1.339 42.175 40.800 0.059 0.000 1.192 379 D HN 0.437 nan 8.370 nan 0.000 0.436 380 R N 1.101 121.637 120.500 0.060 0.000 2.728 380 R HA 0.102 4.442 4.340 -0.000 0.000 0.259 380 R C -1.436 174.878 176.300 0.024 0.000 1.057 380 R CA -0.579 55.538 56.100 0.028 0.000 0.908 380 R CB 1.197 31.501 30.300 0.007 0.000 1.259 380 R HN 0.244 nan 8.270 nan 0.000 0.472 381 E N 3.761 123.972 120.200 0.019 0.000 2.180 381 E HA 0.229 4.579 4.350 -0.000 0.000 0.283 381 E C -0.520 176.084 176.600 0.007 0.000 1.061 381 E CA -0.173 56.236 56.400 0.016 0.000 0.861 381 E CB 0.874 30.583 29.700 0.016 0.000 1.056 381 E HN 0.279 nan 8.360 nan 0.000 0.407 382 L N 2.196 123.418 121.223 -0.000 0.000 2.344 382 L HA 0.366 4.705 4.340 -0.000 0.000 0.272 382 L C 0.939 177.816 176.870 0.011 0.000 1.035 382 L CA -0.295 54.546 54.840 0.002 0.000 0.807 382 L CB 1.648 43.696 42.059 -0.019 0.000 1.237 382 L HN 0.561 nan 8.230 nan 0.000 0.442 383 T N -1.535 113.031 114.554 0.020 0.000 3.115 383 T HA 0.092 4.442 4.350 -0.000 0.000 0.256 383 T C 0.171 174.887 174.700 0.026 0.000 0.970 383 T CA 0.275 62.386 62.100 0.019 0.000 1.010 383 T CB 0.738 69.616 68.868 0.016 0.000 1.151 383 T HN 0.584 nan 8.240 nan 0.000 0.479 384 T N 2.959 117.534 114.554 0.035 0.000 2.840 384 T HA 0.674 5.024 4.350 -0.000 0.000 0.287 384 T C -0.755 173.978 174.700 0.055 0.000 0.991 384 T CA -0.666 61.459 62.100 0.042 0.000 0.964 384 T CB 1.944 70.837 68.868 0.042 0.000 0.954 384 T HN 0.230 nan 8.240 nan 0.000 0.438 385 V N 1.381 121.330 119.914 0.059 0.000 2.864 385 V HA 0.865 4.985 4.120 -0.000 0.000 0.314 385 V C -0.584 175.524 176.094 0.023 0.000 1.073 385 V CA -1.198 61.143 62.300 0.068 0.000 0.956 385 V CB 2.115 34.023 31.823 0.142 0.000 1.023 385 V HN 0.967 nan 8.190 nan 0.000 0.435 386 M N 2.950 122.529 119.600 -0.035 0.000 2.530 386 M HA 0.768 5.248 4.480 -0.000 0.000 0.307 386 M C -0.959 175.285 176.300 -0.094 0.000 1.161 386 M CA -0.298 54.985 55.300 -0.029 0.000 0.903 386 M CB 2.254 34.870 32.600 0.026 0.000 1.711 386 M HN 0.977 nan 8.290 nan 0.000 0.451 387 S N 2.901 118.560 115.700 -0.068 0.000 2.619 387 S HA 0.571 5.041 4.470 -0.000 0.000 0.280 387 S C -1.548 172.970 174.600 -0.137 0.000 1.150 387 S CA -0.806 57.331 58.200 -0.105 0.000 0.978 387 S CB 1.017 64.166 63.200 -0.085 0.000 1.041 387 S HN 0.844 nan 8.310 nan 0.000 0.485 388 N N 2.072 120.648 118.700 -0.207 0.000 2.456 388 N HA 0.579 5.319 4.740 -0.000 0.000 0.296 388 N C -1.272 173.868 175.510 -0.617 0.000 1.102 388 N CA -0.425 52.359 53.050 -0.444 0.000 0.924 388 N CB 1.823 39.987 38.487 -0.538 0.000 1.186 388 N HN 0.474 nan 8.380 nan 0.000 0.492 389 S N 1.354 116.514 115.700 -0.900 0.000 2.736 389 S HA 0.540 5.010 4.470 -0.000 0.000 0.285 389 S C -1.415 172.631 174.600 -0.923 0.000 1.163 389 S CA -0.605 57.119 58.200 -0.794 0.000 1.025 389 S CB 0.318 63.291 63.200 -0.380 0.000 1.030 389 S HN 0.289 nan 8.310 nan 0.000 0.486 390 F N 1.360 120.781 119.950 -0.882 0.000 2.518 390 F HA 0.775 5.302 4.527 -0.000 0.000 0.323 390 F C 0.735 176.350 175.800 -0.308 0.000 1.129 390 F CA -0.912 56.805 58.000 -0.472 0.000 0.920 390 F CB 1.682 40.485 39.000 -0.328 0.000 1.160 390 F HN 0.632 nan 8.300 nan 0.000 0.440 391 G N 1.684 110.567 108.800 0.139 0.000 2.644 391 G HA2 0.575 4.535 3.960 -0.000 0.000 0.307 391 G HA3 0.575 4.535 3.960 -0.000 0.000 0.307 391 G C -0.851 174.268 174.900 0.365 0.000 1.250 391 G CA -0.864 44.350 45.100 0.190 0.000 0.996 391 G HN 0.465 nan 8.290 nan 0.000 0.489 392 F N -0.215 119.837 119.950 0.170 0.000 2.545 392 F HA 0.295 4.822 4.527 -0.000 0.000 0.348 392 F C 1.694 177.559 175.800 0.109 0.000 1.163 392 F CA 1.084 59.171 58.000 0.145 0.000 1.331 392 F CB 0.915 40.007 39.000 0.154 0.000 1.138 392 F HN 0.818 nan 8.300 nan 0.000 0.602 393 G N 0.919 109.872 108.800 0.256 0.000 2.157 393 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.248 393 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.248 393 G C 0.705 175.678 174.900 0.121 0.000 0.979 393 G CA 0.159 45.350 45.100 0.153 0.000 0.650 393 G HN 1.743 nan 8.290 nan 0.000 0.529 394 G N -1.004 107.878 108.800 0.136 0.000 2.305 394 G HA2 0.060 4.020 3.960 -0.000 0.000 0.287 394 G HA3 0.060 4.020 3.960 -0.000 0.000 0.287 394 G C 0.420 175.382 174.900 0.103 0.000 1.036 394 G CA 1.463 46.618 45.100 0.093 0.000 0.887 394 G HN 2.034 nan 8.290 nan 0.000 0.505 395 T N 0.293 114.942 114.554 0.158 0.000 2.767 395 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 395 T C 0.068 174.914 174.700 0.245 0.000 0.963 395 T CA -0.579 61.637 62.100 0.194 0.000 1.019 395 T CB 0.333 69.335 68.868 0.223 0.000 0.923 395 T HN 0.326 nan 8.240 nan 0.000 0.468 396 N N 2.936 121.790 118.700 0.257 0.000 2.269 396 N HA 0.720 5.460 4.740 -0.000 0.000 0.304 396 N C -1.279 174.352 175.510 0.202 0.000 1.072 396 N CA -0.658 52.578 53.050 0.310 0.000 0.802 396 N CB 2.141 40.790 38.487 0.269 0.000 1.348 396 N HN 0.767 nan 8.380 nan 0.000 0.484 397 A N 0.657 123.500 122.820 0.039 0.000 2.455 397 A HA 0.760 5.080 4.320 -0.000 0.000 0.300 397 A C -0.926 176.620 177.584 -0.063 0.000 1.040 397 A CA -0.493 51.489 52.037 -0.092 0.000 0.697 397 A CB 1.469 20.178 19.000 -0.485 0.000 1.265 397 A HN 0.452 nan 8.150 nan 0.000 0.407 398 T N 2.154 116.728 114.554 0.032 0.000 2.921 398 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 398 T C -0.967 173.793 174.700 0.101 0.000 1.013 398 T CA -0.256 61.862 62.100 0.029 0.000 0.990 398 T CB 0.940 69.848 68.868 0.067 0.000 1.023 398 T HN 0.514 nan 8.240 nan 0.000 0.447 399 L N 2.674 123.927 121.223 0.049 0.000 2.365 399 L HA 0.800 5.140 4.340 -0.000 0.000 0.273 399 L C -0.851 176.044 176.870 0.041 0.000 1.000 399 L CA -1.154 53.723 54.840 0.063 0.000 0.819 399 L CB 2.102 44.160 42.059 -0.002 0.000 1.284 399 L HN 0.337 nan 8.230 nan 0.000 0.418 400 V N 3.733 123.681 119.914 0.056 0.000 2.487 400 V HA 0.528 4.648 4.120 -0.000 0.000 0.298 400 V C -0.176 175.938 176.094 0.034 0.000 1.028 400 V CA -0.366 61.963 62.300 0.048 0.000 0.860 400 V CB 1.818 33.680 31.823 0.065 0.000 0.991 400 V HN 0.715 nan 8.190 nan 0.000 0.427 401 M N 4.887 124.502 119.600 0.025 0.000 2.465 401 M HA 0.671 5.151 4.480 -0.000 0.000 0.316 401 M C -0.559 175.755 176.300 0.024 0.000 1.121 401 M CA -0.456 54.855 55.300 0.017 0.000 0.934 401 M CB 2.712 35.315 32.600 0.005 0.000 1.692 401 M HN 0.571 nan 8.290 nan 0.000 0.444 402 R N 1.426 121.937 120.500 0.018 0.000 2.673 402 R HA 0.456 4.796 4.340 -0.000 0.000 0.281 402 R C -1.086 175.219 176.300 0.009 0.000 0.991 402 R CA -0.788 55.323 56.100 0.018 0.000 0.896 402 R CB 1.992 32.303 30.300 0.018 0.000 1.201 402 R HN 0.653 nan 8.270 nan 0.000 0.457 403 K N 2.327 122.732 120.400 0.009 0.000 2.469 403 K HA 0.008 4.328 4.320 -0.000 0.000 0.274 403 K C -0.297 176.298 176.600 -0.009 0.000 0.983 403 K CA -0.013 56.273 56.287 -0.001 0.000 0.974 403 K CB 0.465 32.965 32.500 0.000 0.000 0.913 403 K HN 0.255 nan 8.250 nan 0.000 0.493 404 L N 3.023 124.232 121.223 -0.023 0.000 2.379 404 L HA 0.207 4.547 4.340 -0.000 0.000 0.269 404 L C -0.527 176.330 176.870 -0.021 0.000 1.084 404 L CA -0.221 54.605 54.840 -0.024 0.000 0.802 404 L CB 1.013 43.049 42.059 -0.039 0.000 1.175 404 L HN 0.387 nan 8.230 nan 0.000 0.448 405 K N 2.297 122.687 120.400 -0.016 0.000 2.494 405 K HA 0.244 4.564 4.320 -0.000 0.000 0.273 405 K C -0.111 176.480 176.600 -0.016 0.000 0.970 405 K CA 0.713 56.992 56.287 -0.013 0.000 0.963 405 K CB -0.122 32.372 32.500 -0.010 0.000 0.913 405 K HN 0.731 nan 8.250 nan 0.000 0.502 406 D N 0.000 120.393 120.400 -0.012 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 406 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683