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 2faf_1_A DATA FIRST_RESID 34 DATA SEQUENCE LSTSLSALPA AARDFVEEAV RLCRPREVLL CDGSEEEGKE LLRGLQDDGV DATA SEQUENCE LHPLPKYDNC WLARTDPRDV ARVESKTVLV TPEQSDAVPP PPPSGGPPQL DATA SEQUENCE GNWMSPNAFQ AAVQERFPGC MAGRPLYVIP FSMGPPTSPL AKLGVQVTDS DATA SEQUENCE PYVVLSMRIM TRVGPAVLQR LDDDFVRCLH SVGRPLPLTE PLVSSWPCDP DATA SEQUENCE SRVLVAHIPS ERRIVSFGSG YGGNSLLGKK CFALRIASRM AQQQGWLAEH DATA SEQUENCE MLILGVTSPS GEKRYMAAAF PSACGKTNLA MMTPSLPGWR IHCVGDDIAW DATA SEQUENCE MKFDDEGRLR AINPERGFFG VAPGTSSRTN PNAMATIARN TIFTNVGLRS DATA SEQUENCE DGGVYWDGLD EPTEPGVTYT SWLGKPWKHG DPEPCAHPNS RFCAPADQCP DATA SEQUENCE IMDPRWDDPE GVPIDAIIFG GRRPRGVPLV VEAFGWRHGV FMGSAMRSXX DATA SEQUENCE XXXXXXXXXX LMHDPFAMRP FFGYNAGRYL EHWLSTGLRS NARLPRLFHV DATA SEQUENCE NWFLRDNEGR FVWPGFGHNA RVLAWIFGRI QGRDTARPTP IGWVPKEGDL DATA SEQUENCE DLGGLPGVDY SQLFPMEKGF WEEECRQLRE YYGENFGADL PRDVMAELEG DATA SEQUENCE LEERVRKM 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.890 176.870 0.034 0.000 1.165 34 L CA 0.000 54.878 54.840 0.064 0.000 0.813 34 L CB 0.000 42.115 42.059 0.094 0.000 0.961 35 S N -0.568 115.145 115.700 0.022 0.000 2.541 35 S HA 0.527 4.996 4.470 -0.001 0.000 0.271 35 S C 0.545 175.140 174.600 -0.009 0.000 1.133 35 S CA 0.223 58.427 58.200 0.006 0.000 0.876 35 S CB 1.903 65.107 63.200 0.007 0.000 1.105 35 S HN 0.771 nan 8.310 nan 0.000 0.470 36 T N 0.507 115.051 114.554 -0.017 0.000 3.113 36 T HA 0.171 4.520 4.350 -0.001 0.000 0.256 36 T C 0.522 175.210 174.700 -0.020 0.000 1.131 36 T CA 0.107 62.191 62.100 -0.027 0.000 1.074 36 T CB -0.261 68.589 68.868 -0.030 0.000 0.944 36 T HN 0.366 nan 8.240 nan 0.000 0.516 37 S N 1.715 117.408 115.700 -0.011 0.000 2.455 37 S HA 0.410 4.880 4.470 -0.001 0.000 0.278 37 S C 0.773 175.368 174.600 -0.008 0.000 1.216 37 S CA -0.577 57.618 58.200 -0.009 0.000 1.055 37 S CB 0.547 63.744 63.200 -0.005 0.000 0.939 37 S HN 0.391 nan 8.310 nan 0.000 0.494 38 L N 2.478 123.696 121.223 -0.010 0.000 2.667 38 L HA 0.068 4.407 4.340 -0.001 0.000 0.232 38 L C 2.087 178.953 176.870 -0.007 0.000 1.138 38 L CA -0.053 54.782 54.840 -0.009 0.000 0.921 38 L CB -0.324 41.727 42.059 -0.012 0.000 1.180 38 L HN 0.706 nan 8.230 nan 0.000 0.487 39 S N 0.615 116.312 115.700 -0.006 0.000 2.419 39 S HA -0.170 4.299 4.470 -0.001 0.000 0.233 39 S C 2.061 176.658 174.600 -0.005 0.000 1.016 39 S CA 0.938 59.136 58.200 -0.004 0.000 0.974 39 S CB -0.214 62.984 63.200 -0.003 0.000 0.786 39 S HN 0.392 nan 8.310 nan 0.000 0.492 40 A N 1.117 123.933 122.820 -0.007 0.000 2.119 40 A HA 0.356 4.675 4.320 -0.001 0.000 0.217 40 A C 0.992 178.566 177.584 -0.017 0.000 1.153 40 A CA 0.170 52.201 52.037 -0.010 0.000 0.692 40 A CB -0.544 18.452 19.000 -0.008 0.000 0.799 40 A HN 0.558 nan 8.150 nan 0.000 0.458 41 L N 1.253 122.465 121.223 -0.019 0.000 2.410 41 L HA 0.211 4.550 4.340 -0.001 0.000 0.273 41 L C -2.140 174.716 176.870 -0.024 0.000 1.152 41 L CA -1.798 53.022 54.840 -0.032 0.000 0.855 41 L CB 0.598 42.641 42.059 -0.027 0.000 1.129 41 L HN 0.099 nan 8.230 nan 0.000 0.463 42 P HA 0.079 nan 4.420 nan 0.000 0.272 42 P C 0.220 177.530 177.300 0.016 0.000 1.240 42 P CA -0.312 62.782 63.100 -0.011 0.000 0.791 42 P CB 0.775 32.464 31.700 -0.017 0.000 0.978 43 A N 1.633 124.475 122.820 0.038 0.000 1.908 43 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 43 A C 2.126 179.770 177.584 0.100 0.000 1.181 43 A CA 2.411 54.481 52.037 0.056 0.000 0.627 43 A CB -1.771 17.259 19.000 0.049 0.000 0.818 43 A HN 0.563 nan 8.150 nan 0.000 0.445 44 A N -0.434 122.474 122.820 0.147 0.000 1.898 44 A HA 0.228 4.548 4.320 -0.001 0.000 0.216 44 A C 2.497 180.309 177.584 0.379 0.000 1.181 44 A CA 1.931 54.123 52.037 0.259 0.000 0.620 44 A CB -0.956 18.240 19.000 0.326 0.000 0.819 44 A HN 1.060 nan 8.150 nan 0.000 0.442 45 A N -0.171 122.767 122.820 0.198 0.000 1.902 45 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 45 A C 2.176 179.848 177.584 0.148 0.000 1.181 45 A CA 2.042 54.094 52.037 0.025 0.000 0.623 45 A CB -0.430 18.355 19.000 -0.359 0.000 0.818 45 A HN 0.450 nan 8.150 nan 0.000 0.443 46 R N 0.382 120.933 120.500 0.084 0.000 2.081 46 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 46 R C 1.399 177.751 176.300 0.087 0.000 1.131 46 R CA 1.999 58.136 56.100 0.062 0.000 0.960 46 R CB -0.578 29.743 30.300 0.035 0.000 0.856 46 R HN 0.491 nan 8.270 nan 0.000 0.436 47 D N -0.509 119.971 120.400 0.133 0.000 2.097 47 D HA -0.174 4.466 4.640 -0.001 0.000 0.195 47 D C 1.583 177.989 176.300 0.175 0.000 0.989 47 D CA 1.210 55.289 54.000 0.131 0.000 0.827 47 D CB -0.413 40.470 40.800 0.139 0.000 0.966 47 D HN 0.207 nan 8.370 nan 0.000 0.456 48 F N 1.688 121.710 119.950 0.120 0.000 2.095 48 F HA -0.208 4.318 4.527 -0.001 0.000 0.298 48 F C 2.148 178.002 175.800 0.090 0.000 1.104 48 F CA 0.970 59.047 58.000 0.128 0.000 1.232 48 F CB -0.612 38.541 39.000 0.256 0.000 0.987 48 F HN -0.205 nan 8.300 nan 0.000 0.475 49 V N 0.823 120.630 119.914 -0.180 0.000 2.287 49 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 49 V C 2.483 178.456 176.094 -0.201 0.000 1.053 49 V CA 2.266 64.391 62.300 -0.293 0.000 1.027 49 V CB -0.679 31.081 31.823 -0.105 0.000 0.646 49 V HN 0.302 nan 8.190 nan 0.000 0.447 50 E N -0.229 119.917 120.200 -0.090 0.000 2.150 50 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 50 E C 2.150 178.712 176.600 -0.064 0.000 0.985 50 E CA 1.126 57.490 56.400 -0.059 0.000 0.814 50 E CB -0.195 29.493 29.700 -0.020 0.000 0.752 50 E HN 0.787 nan 8.360 nan 0.000 0.466 51 E N 1.012 121.175 120.200 -0.062 0.000 2.051 51 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 51 E C 2.006 178.550 176.600 -0.093 0.000 0.991 51 E CA 1.163 57.536 56.400 -0.045 0.000 0.799 51 E CB -0.031 29.680 29.700 0.019 0.000 0.748 51 E HN 0.144 nan 8.360 nan 0.000 0.449 52 A N 0.665 123.364 122.820 -0.202 0.000 1.933 52 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 52 A C 2.409 179.931 177.584 -0.102 0.000 1.175 52 A CA 1.407 53.327 52.037 -0.196 0.000 0.628 52 A CB -0.590 18.187 19.000 -0.371 0.000 0.814 52 A HN 0.242 nan 8.150 nan 0.000 0.444 53 V N -0.014 119.838 119.914 -0.105 0.000 2.307 53 V HA -0.268 3.851 4.120 -0.001 0.000 0.245 53 V C 2.623 178.695 176.094 -0.036 0.000 1.045 53 V CA 2.247 64.509 62.300 -0.063 0.000 1.024 53 V CB -0.803 30.981 31.823 -0.065 0.000 0.651 53 V HN 0.542 nan 8.190 nan 0.000 0.449 54 R N -0.539 119.939 120.500 -0.036 0.000 2.096 54 R HA -0.165 4.174 4.340 -0.001 0.000 0.235 54 R C 2.203 178.497 176.300 -0.010 0.000 1.127 54 R CA 1.592 57.680 56.100 -0.021 0.000 0.968 54 R CB -0.506 29.783 30.300 -0.019 0.000 0.861 54 R HN 0.396 nan 8.270 nan 0.000 0.440 55 L N 0.015 121.231 121.223 -0.011 0.000 2.023 55 L HA -0.102 4.237 4.340 -0.001 0.000 0.205 55 L C 1.884 178.784 176.870 0.049 0.000 1.073 55 L CA 1.760 56.608 54.840 0.013 0.000 0.745 55 L CB -0.349 41.710 42.059 -0.000 0.000 0.900 55 L HN 0.145 nan 8.230 nan 0.000 0.435 56 C N -0.290 119.044 119.300 0.057 0.000 2.533 56 C HA 0.204 4.663 4.460 -0.001 0.000 0.272 56 C C 1.078 176.093 174.990 0.042 0.000 1.371 56 C CA -0.199 58.873 59.018 0.090 0.000 1.758 56 C CB -0.981 26.828 27.740 0.115 0.000 1.972 56 C HN 0.592 nan 8.230 nan 0.000 0.522 57 R N -0.622 119.886 120.500 0.014 0.000 3.267 57 R HA -0.139 4.200 4.340 -0.001 0.000 0.254 57 R C -2.584 173.711 176.300 -0.009 0.000 0.993 57 R CA 0.261 56.360 56.100 -0.001 0.000 0.670 57 R CB -2.105 28.197 30.300 0.003 0.000 1.125 57 R HN 0.461 nan 8.270 nan 0.000 0.434 58 P HA -0.035 nan 4.420 nan 0.000 0.272 58 P C 0.155 177.430 177.300 -0.042 0.000 1.240 58 P CA -0.182 62.898 63.100 -0.034 0.000 0.791 58 P CB 0.632 32.301 31.700 -0.051 0.000 0.978 59 R N 0.637 121.108 120.500 -0.049 0.000 2.153 59 R HA -0.037 4.302 4.340 -0.001 0.000 0.218 59 R C 0.781 177.046 176.300 -0.059 0.000 1.072 59 R CA 1.069 57.141 56.100 -0.047 0.000 0.990 59 R CB 0.314 30.589 30.300 -0.042 0.000 0.889 59 R HN 0.708 nan 8.270 nan 0.000 0.452 60 E N -1.539 118.610 120.200 -0.086 0.000 2.437 60 E HA 0.321 4.670 4.350 -0.001 0.000 0.280 60 E C -1.625 174.895 176.600 -0.135 0.000 1.044 60 E CA -1.088 55.254 56.400 -0.098 0.000 0.826 60 E CB 1.838 31.478 29.700 -0.100 0.000 1.358 60 E HN -0.114 nan 8.360 nan 0.000 0.459 61 V N 1.499 121.338 119.914 -0.124 0.000 2.531 61 V HA 0.446 4.565 4.120 -0.001 0.000 0.301 61 V C -0.730 175.285 176.094 -0.132 0.000 1.034 61 V CA -0.632 61.589 62.300 -0.132 0.000 0.865 61 V CB 1.276 33.047 31.823 -0.086 0.000 0.995 61 V HN 0.540 nan 8.190 nan 0.000 0.424 62 L N 5.272 126.392 121.223 -0.171 0.000 2.376 62 L HA 0.557 4.896 4.340 -0.001 0.000 0.275 62 L C -0.744 176.120 176.870 -0.010 0.000 0.987 62 L CA -0.724 54.051 54.840 -0.109 0.000 0.828 62 L CB 1.968 43.918 42.059 -0.181 0.000 1.249 62 L HN 0.470 nan 8.230 nan 0.000 0.409 63 L N 3.370 124.601 121.223 0.014 0.000 2.319 63 L HA 0.364 4.704 4.340 -0.001 0.000 0.280 63 L C -0.321 176.592 176.870 0.071 0.000 1.099 63 L CA 0.264 55.130 54.840 0.044 0.000 0.828 63 L CB 0.831 42.903 42.059 0.022 0.000 1.150 63 L HN 0.646 nan 8.230 nan 0.000 0.442 64 C N 4.201 123.557 119.300 0.094 0.000 2.452 64 C HA 0.369 4.829 4.460 -0.001 0.000 0.379 64 C C 1.094 176.116 174.990 0.054 0.000 1.275 64 C CA -0.313 58.757 59.018 0.086 0.000 2.056 64 C CB 0.433 28.227 27.740 0.089 0.000 2.506 64 C HN 0.929 nan 8.230 nan 0.000 0.560 65 D N -0.293 120.131 120.400 0.039 0.000 2.433 65 D HA 0.201 4.840 4.640 -0.001 0.000 0.211 65 D C 1.398 177.709 176.300 0.019 0.000 1.114 65 D CA 0.617 54.633 54.000 0.026 0.000 0.837 65 D CB -0.182 40.630 40.800 0.021 0.000 0.984 65 D HN 0.933 nan 8.370 nan 0.000 0.505 66 G N 0.548 109.356 108.800 0.015 0.000 2.184 66 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.264 66 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.264 66 G C 0.478 175.379 174.900 0.002 0.000 0.975 66 G CA 0.633 45.736 45.100 0.004 0.000 0.642 66 G HN 0.889 nan 8.290 nan 0.000 0.536 67 S N -0.710 114.993 115.700 0.005 0.000 2.600 67 S HA 0.501 4.970 4.470 -0.001 0.000 0.265 67 S C 1.163 175.766 174.600 0.005 0.000 1.325 67 S CA 0.588 58.793 58.200 0.008 0.000 1.002 67 S CB 1.921 65.128 63.200 0.011 0.000 0.921 67 S HN 0.432 nan 8.310 nan 0.000 0.554 68 E N 0.372 120.579 120.200 0.012 0.000 2.077 68 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 68 E C 1.540 178.148 176.600 0.014 0.000 0.989 68 E CA 1.182 57.591 56.400 0.016 0.000 0.800 68 E CB -0.075 29.640 29.700 0.026 0.000 0.746 68 E HN 0.704 nan 8.360 nan 0.000 0.452 69 E N 0.578 120.787 120.200 0.015 0.000 2.110 69 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 69 E C 1.854 178.458 176.600 0.006 0.000 0.988 69 E CA 0.974 57.382 56.400 0.014 0.000 0.804 69 E CB -0.217 29.494 29.700 0.017 0.000 0.745 69 E HN 0.464 nan 8.360 nan 0.000 0.458 70 E N 0.242 120.444 120.200 0.004 0.000 2.077 70 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 70 E C 2.106 178.690 176.600 -0.027 0.000 0.989 70 E CA 1.261 57.661 56.400 -0.001 0.000 0.800 70 E CB -0.297 29.406 29.700 0.005 0.000 0.746 70 E HN 0.231 nan 8.360 nan 0.000 0.452 71 G N 1.095 109.875 108.800 -0.034 0.000 2.440 71 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.218 71 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.218 71 G C 1.517 176.368 174.900 -0.082 0.000 1.154 71 G CA 1.027 46.087 45.100 -0.066 0.000 0.767 71 G HN 0.215 nan 8.290 nan 0.000 0.552 72 K N 0.109 120.485 120.400 -0.039 0.000 2.057 72 K HA -0.067 4.252 4.320 -0.001 0.000 0.207 72 K C 2.355 178.923 176.600 -0.053 0.000 1.049 72 K CA 1.231 57.499 56.287 -0.032 0.000 0.931 72 K CB -0.153 32.357 32.500 0.017 0.000 0.714 72 K HN 0.419 nan 8.250 nan 0.000 0.440 73 E N 1.100 121.280 120.200 -0.033 0.000 2.077 73 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 73 E C 2.006 178.576 176.600 -0.050 0.000 0.989 73 E CA 0.850 57.236 56.400 -0.023 0.000 0.800 73 E CB 0.033 29.736 29.700 0.005 0.000 0.746 73 E HN 0.203 nan 8.360 nan 0.000 0.452 74 L N 0.468 121.642 121.223 -0.082 0.000 2.017 74 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 74 L C 2.566 179.324 176.870 -0.185 0.000 1.073 74 L CA 0.919 55.682 54.840 -0.128 0.000 0.745 74 L CB -0.372 41.583 42.059 -0.173 0.000 0.894 74 L HN 0.242 nan 8.230 nan 0.000 0.432 75 L N -0.800 120.260 121.223 -0.271 0.000 2.017 75 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 75 L C 2.864 179.531 176.870 -0.337 0.000 1.073 75 L CA 1.283 55.830 54.840 -0.489 0.000 0.745 75 L CB -0.495 41.123 42.059 -0.735 0.000 0.894 75 L HN 0.190 nan 8.230 nan 0.000 0.432 76 R N -0.211 120.185 120.500 -0.173 0.000 2.096 76 R HA -0.163 4.176 4.340 -0.001 0.000 0.240 76 R C 2.341 178.617 176.300 -0.040 0.000 1.139 76 R CA 1.525 57.587 56.100 -0.063 0.000 0.952 76 R CB -0.819 29.472 30.300 -0.015 0.000 0.854 76 R HN 0.473 nan 8.270 nan 0.000 0.436 77 G N 0.780 109.555 108.800 -0.041 0.000 2.418 77 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 77 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 77 G C 1.437 176.329 174.900 -0.013 0.000 1.158 77 G CA 0.422 45.516 45.100 -0.010 0.000 0.771 77 G HN 0.137 nan 8.290 nan 0.000 0.545 78 L N -0.145 121.049 121.223 -0.048 0.000 2.083 78 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 78 L C 2.973 179.850 176.870 0.012 0.000 1.083 78 L CA 1.484 56.313 54.840 -0.019 0.000 0.752 78 L CB -0.326 41.707 42.059 -0.044 0.000 0.899 78 L HN 0.314 nan 8.230 nan 0.000 0.433 79 Q N -0.064 119.732 119.800 -0.006 0.000 2.046 79 Q HA -0.221 4.118 4.340 -0.001 0.000 0.200 79 Q C 1.698 177.725 176.000 0.044 0.000 0.975 79 Q CA 1.706 57.547 55.803 0.065 0.000 0.836 79 Q CB 0.125 28.944 28.738 0.136 0.000 0.896 79 Q HN 0.418 nan 8.270 nan 0.000 0.428 80 D N 0.710 121.129 120.400 0.032 0.000 2.178 80 D HA -0.148 4.492 4.640 -0.001 0.000 0.201 80 D C 1.222 177.537 176.300 0.025 0.000 0.980 80 D CA 1.082 55.100 54.000 0.029 0.000 0.842 80 D CB -0.211 40.604 40.800 0.026 0.000 0.948 80 D HN 0.314 nan 8.370 nan 0.000 0.472 81 D N -0.634 119.781 120.400 0.026 0.000 2.312 81 D HA 0.014 4.653 4.640 -0.001 0.000 0.211 81 D C 1.681 178.002 176.300 0.036 0.000 0.964 81 D CA 1.171 55.189 54.000 0.030 0.000 0.877 81 D CB 0.112 40.931 40.800 0.033 0.000 0.924 81 D HN 0.325 nan 8.370 nan 0.000 0.515 82 G N -0.123 108.693 108.800 0.027 0.000 2.179 82 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.260 82 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.260 82 G C 1.279 176.204 174.900 0.042 0.000 0.977 82 G CA 0.511 45.614 45.100 0.005 0.000 0.641 82 G HN 0.319 nan 8.290 nan 0.000 0.533 83 V N 0.244 120.216 119.914 0.097 0.000 2.323 83 V HA 0.203 4.323 4.120 -0.001 0.000 0.244 83 V C 1.687 177.935 176.094 0.257 0.000 1.041 83 V CA 1.743 64.160 62.300 0.195 0.000 1.025 83 V CB -0.191 31.747 31.823 0.193 0.000 0.656 83 V HN 0.394 nan 8.190 nan 0.000 0.451 84 L N -0.113 121.241 121.223 0.219 0.000 2.309 84 L HA 0.471 4.811 4.340 -0.001 0.000 0.282 84 L C -0.716 176.339 176.870 0.308 0.000 1.036 84 L CA -0.567 54.486 54.840 0.355 0.000 0.806 84 L CB 1.230 43.494 42.059 0.343 0.000 1.220 84 L HN 0.281 nan 8.230 nan 0.000 0.429 85 H N 2.784 122.074 119.070 0.367 0.000 2.467 85 H HA 0.328 4.883 4.556 -0.001 0.000 0.326 85 H C -2.226 173.287 175.328 0.308 0.000 1.094 85 H CA -1.668 54.554 56.048 0.291 0.000 1.253 85 H CB 0.989 30.871 29.762 0.200 0.000 1.439 85 H HN 0.323 nan 8.280 nan 0.000 0.479 86 P HA 0.044 nan 4.420 nan 0.000 0.272 86 P C -0.521 176.699 177.300 -0.134 0.000 1.230 86 P CA -0.221 62.733 63.100 -0.244 0.000 0.788 86 P CB 1.209 32.714 31.700 -0.326 0.000 0.949 87 L N 3.522 124.589 121.223 -0.260 0.000 2.435 87 L HA 0.271 4.611 4.340 -0.001 0.000 0.253 87 L C -1.394 175.337 176.870 -0.232 0.000 1.087 87 L CA -1.596 53.169 54.840 -0.126 0.000 0.950 87 L CB 1.558 43.677 42.059 0.100 0.000 1.304 87 L HN 0.229 nan 8.230 nan 0.000 0.453 88 P HA -0.124 nan 4.420 nan 0.000 0.234 88 P C 1.227 178.366 177.300 -0.268 0.000 1.167 88 P CA 0.600 63.570 63.100 -0.217 0.000 0.763 88 P CB 0.378 31.986 31.700 -0.153 0.000 0.835 89 K N -0.586 119.539 120.400 -0.458 0.000 2.280 89 K HA -0.095 4.225 4.320 -0.001 0.000 0.202 89 K C 0.293 176.574 176.600 -0.533 0.000 1.047 89 K CA 1.040 56.956 56.287 -0.618 0.000 0.942 89 K CB -0.326 31.592 32.500 -0.971 0.000 0.739 89 K HN 0.099 nan 8.250 nan 0.000 0.457 90 Y N -0.788 119.480 120.300 -0.052 0.000 2.650 90 Y HA 0.283 4.833 4.550 -0.001 0.000 0.331 90 Y C -0.512 175.369 175.900 -0.032 0.000 1.082 90 Y CA -2.429 55.657 58.100 -0.022 0.000 1.171 90 Y CB 0.409 38.883 38.460 0.022 0.000 1.326 90 Y HN -0.166 nan 8.280 nan 0.000 0.513 91 D N 1.376 121.888 120.400 0.188 0.000 2.393 91 D HA 0.082 4.721 4.640 -0.001 0.000 0.232 91 D C -0.099 176.271 176.300 0.116 0.000 1.192 91 D CA 0.176 54.241 54.000 0.108 0.000 0.882 91 D CB -0.420 40.438 40.800 0.096 0.000 1.038 91 D HN 0.614 nan 8.370 nan 0.000 0.499 92 N N 2.635 121.377 118.700 0.069 0.000 2.738 92 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 92 N C -1.576 174.025 175.510 0.152 0.000 1.047 92 N CA 0.525 53.656 53.050 0.136 0.000 0.707 92 N CB -1.518 37.115 38.487 0.243 0.000 0.937 92 N HN 0.318 nan 8.380 nan 0.000 0.545 93 C N 0.019 119.287 119.300 -0.053 0.000 2.454 93 C HA 0.833 5.292 4.460 -0.001 0.000 0.336 93 C C -0.094 174.762 174.990 -0.224 0.000 1.189 93 C CA -0.549 58.543 59.018 0.123 0.000 1.877 93 C CB 0.539 28.515 27.740 0.393 0.000 2.348 93 C HN 0.533 nan 8.230 nan 0.000 0.508 94 W N 1.229 122.747 121.300 0.364 0.000 3.107 94 W HA 0.677 5.336 4.660 -0.001 0.000 0.331 94 W C -0.960 175.807 176.519 0.413 0.000 1.204 94 W CA -0.641 56.901 57.345 0.327 0.000 1.184 94 W CB 1.087 30.691 29.460 0.240 0.000 1.421 94 W HN 0.399 nan 8.180 nan 0.000 0.544 95 L N 2.530 124.115 121.223 0.604 0.000 2.381 95 L HA 0.935 5.274 4.340 -0.001 0.000 0.274 95 L C -0.676 176.492 176.870 0.498 0.000 0.988 95 L CA -0.663 54.477 54.840 0.500 0.000 0.824 95 L CB 1.237 43.492 42.059 0.326 0.000 1.263 95 L HN 0.515 nan 8.230 nan 0.000 0.410 96 A N 5.296 128.378 122.820 0.437 0.000 2.340 96 A HA 0.908 5.227 4.320 -0.001 0.000 0.331 96 A C -0.538 177.174 177.584 0.213 0.000 1.140 96 A CA -0.714 51.545 52.037 0.369 0.000 0.801 96 A CB 0.963 20.196 19.000 0.388 0.000 1.234 96 A HN 0.783 nan 8.150 nan 0.000 0.469 97 R N 0.116 120.716 120.500 0.167 0.000 2.711 97 R HA 0.669 5.009 4.340 -0.001 0.000 0.284 97 R C -0.390 175.796 176.300 -0.189 0.000 0.968 97 R CA -0.441 55.694 56.100 0.059 0.000 0.924 97 R CB 2.149 32.531 30.300 0.138 0.000 1.162 97 R HN 0.863 nan 8.270 nan 0.000 0.465 98 T N -2.409 111.917 114.554 -0.380 0.000 2.950 98 T HA 0.185 4.535 4.350 -0.001 0.000 0.288 98 T C -0.076 174.438 174.700 -0.310 0.000 1.035 98 T CA -0.987 60.531 62.100 -0.970 0.000 1.028 98 T CB 1.610 69.608 68.868 -1.450 0.000 1.109 98 T HN 0.418 nan 8.240 nan 0.000 0.514 99 D N 2.181 122.453 120.400 -0.214 0.000 2.533 99 D HA 0.062 4.701 4.640 -0.001 0.000 0.236 99 D C -1.103 175.233 176.300 0.060 0.000 1.137 99 D CA -1.583 52.456 54.000 0.065 0.000 0.867 99 D CB 1.306 42.253 40.800 0.244 0.000 1.170 99 D HN 0.288 nan 8.370 nan 0.000 0.474 100 P HA -0.112 nan 4.420 nan 0.000 0.223 100 P C 0.837 178.211 177.300 0.122 0.000 1.144 100 P CA 0.911 64.157 63.100 0.242 0.000 0.783 100 P CB 0.187 31.985 31.700 0.165 0.000 0.771 101 R N -0.696 119.855 120.500 0.084 0.000 2.299 101 R HA 0.040 4.380 4.340 -0.001 0.000 0.197 101 R C 0.342 176.669 176.300 0.045 0.000 0.971 101 R CA 0.410 56.550 56.100 0.066 0.000 1.030 101 R CB -0.105 30.243 30.300 0.080 0.000 0.932 101 R HN 0.074 nan 8.270 nan 0.000 0.477 102 D N 0.242 120.657 120.400 0.026 0.000 2.443 102 D HA 0.062 4.702 4.640 -0.001 0.000 0.281 102 D C 0.311 176.489 176.300 -0.203 0.000 1.210 102 D CA -0.287 53.736 54.000 0.040 0.000 0.875 102 D CB 1.157 42.144 40.800 0.312 0.000 1.125 102 D HN -0.036 nan 8.370 nan 0.000 0.503 103 V N -0.031 119.597 119.914 -0.476 0.000 3.398 103 V HA 0.863 4.982 4.120 -0.001 0.000 0.298 103 V C 0.448 175.626 176.094 -1.527 0.000 1.496 103 V CA 0.350 62.014 62.300 -1.060 0.000 1.044 103 V CB -0.099 31.079 31.823 -1.074 0.000 0.880 103 V HN 0.413 nan 8.190 nan 0.000 0.443 104 A N 0.034 122.300 122.820 -0.924 0.000 2.566 104 A HA 0.704 5.023 4.320 -0.001 0.000 0.290 104 A C -0.489 177.054 177.584 -0.068 0.000 1.071 104 A CA -1.063 50.702 52.037 -0.453 0.000 0.658 104 A CB 0.900 19.765 19.000 -0.224 0.000 1.285 104 A HN 0.256 nan 8.150 nan 0.000 0.427 105 R N -0.328 120.235 120.500 0.106 0.000 2.638 105 R HA 0.278 4.617 4.340 -0.001 0.000 0.268 105 R C -0.756 175.594 176.300 0.084 0.000 1.006 105 R CA 0.277 56.465 56.100 0.147 0.000 1.088 105 R CB 0.176 30.584 30.300 0.181 0.000 0.950 105 R HN 0.380 nan 8.270 nan 0.000 0.419 106 V N 3.215 123.191 119.914 0.103 0.000 2.257 106 V HA 0.037 4.156 4.120 -0.001 0.000 0.269 106 V C 1.246 177.389 176.094 0.081 0.000 1.040 106 V CA -0.217 62.130 62.300 0.079 0.000 0.813 106 V CB 0.876 32.752 31.823 0.090 0.000 1.065 106 V HN 0.873 nan 8.190 nan 0.000 0.457 107 E N 3.044 123.274 120.200 0.051 0.000 2.085 107 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 107 E C 2.131 178.761 176.600 0.049 0.000 0.994 107 E CA 1.774 58.194 56.400 0.034 0.000 0.801 107 E CB 0.201 29.897 29.700 -0.008 0.000 0.743 107 E HN 0.839 nan 8.360 nan 0.000 0.453 108 S N -0.175 115.555 115.700 0.050 0.000 2.474 108 S HA -0.065 4.404 4.470 -0.001 0.000 0.235 108 S C 1.423 176.066 174.600 0.072 0.000 0.997 108 S CA 0.691 58.924 58.200 0.054 0.000 0.949 108 S CB -0.004 63.224 63.200 0.047 0.000 0.766 108 S HN 0.159 nan 8.310 nan 0.000 0.517 109 K N 0.906 121.360 120.400 0.089 0.000 2.399 109 K HA 0.208 4.527 4.320 -0.001 0.000 0.204 109 K C -0.541 176.143 176.600 0.140 0.000 1.023 109 K CA -0.013 56.340 56.287 0.111 0.000 1.127 109 K CB 0.832 33.403 32.500 0.118 0.000 0.856 109 K HN 0.217 nan 8.250 nan 0.000 0.514 110 T N 1.902 116.539 114.554 0.139 0.000 2.771 110 T HA 0.373 4.722 4.350 -0.001 0.000 0.281 110 T C -0.414 174.386 174.700 0.166 0.000 0.982 110 T CA -0.652 61.561 62.100 0.190 0.000 0.978 110 T CB 1.479 70.459 68.868 0.186 0.000 0.930 110 T HN 0.014 nan 8.240 nan 0.000 0.447 111 V N 1.713 121.753 119.914 0.210 0.000 3.007 111 V HA 0.716 4.835 4.120 -0.001 0.000 0.311 111 V C -1.169 175.032 176.094 0.178 0.000 1.120 111 V CA -1.337 61.047 62.300 0.140 0.000 0.980 111 V CB 1.800 33.658 31.823 0.060 0.000 1.033 111 V HN 0.752 nan 8.190 nan 0.000 0.429 112 L N 2.950 124.236 121.223 0.104 0.000 2.282 112 L HA 0.664 5.003 4.340 -0.001 0.000 0.288 112 L C -0.646 176.216 176.870 -0.014 0.000 1.033 112 L CA -0.827 54.072 54.840 0.099 0.000 0.807 112 L CB 1.807 43.961 42.059 0.157 0.000 1.209 112 L HN 0.558 nan 8.230 nan 0.000 0.423 113 V N 2.307 122.155 119.914 -0.111 0.000 2.328 113 V HA 0.512 4.631 4.120 -0.001 0.000 0.278 113 V C 0.181 176.254 176.094 -0.034 0.000 1.021 113 V CA -0.329 61.832 62.300 -0.233 0.000 0.838 113 V CB 1.244 32.773 31.823 -0.489 0.000 0.999 113 V HN 0.914 nan 8.190 nan 0.000 0.447 114 T N 2.489 117.146 114.554 0.172 0.000 2.916 114 T HA 0.484 4.833 4.350 -0.001 0.000 0.305 114 T C -2.376 172.561 174.700 0.395 0.000 1.119 114 T CA -1.891 60.370 62.100 0.268 0.000 1.008 114 T CB 2.534 71.578 68.868 0.294 0.000 1.129 114 T HN 0.218 nan 8.240 nan 0.000 0.480 115 P HA -0.047 nan 4.420 nan 0.000 0.216 115 P C 0.163 177.611 177.300 0.247 0.000 1.153 115 P CA 1.278 64.507 63.100 0.215 0.000 0.858 115 P CB 0.164 31.929 31.700 0.109 0.000 0.789 116 E N -0.396 119.884 120.200 0.133 0.000 2.133 116 E HA 0.048 4.397 4.350 -0.001 0.000 0.274 116 E C 0.863 177.287 176.600 -0.294 0.000 0.930 116 E CA -0.414 55.954 56.400 -0.053 0.000 0.770 116 E CB 0.995 30.658 29.700 -0.062 0.000 1.104 116 E HN 0.117 nan 8.360 nan 0.000 0.403 117 Q N 2.597 121.882 119.800 -0.859 0.000 2.112 117 Q HA -0.205 4.135 4.340 -0.001 0.000 0.206 117 Q C 1.382 176.984 176.000 -0.663 0.000 0.987 117 Q CA 2.343 57.229 55.803 -1.527 0.000 0.858 117 Q CB 0.091 27.898 28.738 -1.552 0.000 0.905 117 Q HN 0.519 nan 8.270 nan 0.000 0.420 118 S N -0.169 115.292 115.700 -0.398 0.000 2.474 118 S HA -0.110 4.359 4.470 -0.001 0.000 0.235 118 S C 1.224 175.747 174.600 -0.128 0.000 0.997 118 S CA 1.122 59.188 58.200 -0.224 0.000 0.949 118 S CB -0.120 62.982 63.200 -0.164 0.000 0.766 118 S HN 0.283 nan 8.310 nan 0.000 0.517 119 D N 1.967 122.307 120.400 -0.100 0.000 2.264 119 D HA 0.162 4.801 4.640 -0.001 0.000 0.208 119 D C 1.915 178.247 176.300 0.053 0.000 0.966 119 D CA 1.202 55.200 54.000 -0.003 0.000 0.864 119 D CB -0.224 40.588 40.800 0.020 0.000 0.933 119 D HN 0.610 nan 8.370 nan 0.000 0.499 120 A N -0.239 122.587 122.820 0.010 0.000 1.963 120 A HA 0.309 4.628 4.320 -0.001 0.000 0.207 120 A C 0.863 178.442 177.584 -0.008 0.000 1.243 120 A CA 0.592 52.679 52.037 0.083 0.000 0.728 120 A CB 0.456 19.603 19.000 0.244 0.000 0.895 120 A HN 0.091 nan 8.150 nan 0.000 0.467 121 V N -4.777 115.082 119.914 -0.092 0.000 3.147 121 V HA 0.632 4.752 4.120 -0.001 0.000 0.306 121 V C -3.451 172.530 176.094 -0.189 0.000 1.209 121 V CA -2.643 59.568 62.300 -0.149 0.000 1.023 121 V CB 1.546 33.312 31.823 -0.095 0.000 1.059 121 V HN 0.056 nan 8.190 nan 0.000 0.435 122 P HA 0.447 nan 4.420 nan 0.000 0.277 122 P C -2.840 174.354 177.300 -0.177 0.000 1.276 122 P CA -1.418 61.556 63.100 -0.210 0.000 0.788 122 P CB -0.535 30.989 31.700 -0.294 0.000 1.114 123 P HA 0.134 nan 4.420 nan 0.000 0.269 123 P C -2.191 175.042 177.300 -0.111 0.000 1.215 123 P CA -0.868 62.162 63.100 -0.117 0.000 0.780 123 P CB -1.258 30.389 31.700 -0.089 0.000 0.898 124 P HA 0.154 nan 4.420 nan 0.000 0.269 124 P C -2.509 174.753 177.300 -0.064 0.000 1.209 124 P CA -1.441 61.619 63.100 -0.068 0.000 0.776 124 P CB -0.899 30.777 31.700 -0.040 0.000 0.876 125 P HA -0.007 nan 4.420 nan 0.000 0.258 125 P C -1.516 175.764 177.300 -0.034 0.000 1.172 125 P CA -0.579 62.489 63.100 -0.053 0.000 0.762 125 P CB -0.472 31.203 31.700 -0.042 0.000 0.764 126 P HA -0.085 nan 4.420 nan 0.000 0.226 126 P C 0.649 177.941 177.300 -0.014 0.000 1.153 126 P CA 1.194 64.281 63.100 -0.022 0.000 0.777 126 P CB 0.171 31.858 31.700 -0.021 0.000 0.794 127 S N -1.195 114.498 115.700 -0.012 0.000 2.593 127 S HA 0.311 4.781 4.470 -0.001 0.000 0.217 127 S C 1.613 176.211 174.600 -0.003 0.000 0.966 127 S CA 0.692 58.888 58.200 -0.005 0.000 0.914 127 S CB -0.346 62.852 63.200 -0.002 0.000 0.776 127 S HN 0.391 nan 8.310 nan 0.000 0.523 128 G N 1.080 109.877 108.800 -0.006 0.000 2.179 128 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.220 128 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.220 128 G C 0.348 175.249 174.900 0.001 0.000 0.990 128 G CA -0.393 44.706 45.100 -0.002 0.000 0.646 128 G HN 0.781 nan 8.290 nan 0.000 0.517 129 G N 0.674 109.475 108.800 0.000 0.000 2.664 129 G HA2 0.526 4.485 3.960 -0.001 0.000 0.242 129 G HA3 0.526 4.485 3.960 -0.001 0.000 0.242 129 G C -1.379 173.523 174.900 0.004 0.000 1.225 129 G CA -0.056 45.048 45.100 0.006 0.000 0.849 129 G HN 0.319 nan 8.290 nan 0.000 0.581 130 P HA 0.255 nan 4.420 nan 0.000 0.275 130 P C -2.556 174.746 177.300 0.003 0.000 1.228 130 P CA -1.296 61.811 63.100 0.011 0.000 0.786 130 P CB 0.655 32.366 31.700 0.017 0.000 0.927 131 P HA 0.103 nan 4.420 nan 0.000 0.271 131 P C 0.162 177.457 177.300 -0.009 0.000 1.216 131 P CA 0.186 63.274 63.100 -0.020 0.000 0.776 131 P CB 0.375 32.068 31.700 -0.013 0.000 0.881 132 Q N 1.329 121.117 119.800 -0.021 0.000 2.164 132 Q HA 0.258 4.597 4.340 -0.001 0.000 0.226 132 Q C 0.523 176.534 176.000 0.017 0.000 0.813 132 Q CA -0.029 55.783 55.803 0.015 0.000 0.978 132 Q CB 0.093 28.873 28.738 0.070 0.000 1.149 132 Q HN 0.326 nan 8.270 nan 0.000 0.489 133 L N 0.799 121.997 121.223 -0.041 0.000 2.910 133 L HA 0.558 4.897 4.340 -0.001 0.000 0.252 133 L C 0.325 177.203 176.870 0.014 0.000 1.195 133 L CA 0.022 54.845 54.840 -0.029 0.000 1.003 133 L CB 1.104 42.973 42.059 -0.317 0.000 1.328 133 L HN 0.368 nan 8.230 nan 0.000 0.540 134 G N -0.032 108.777 108.800 0.015 0.000 2.334 134 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.566 134 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.566 134 G C -1.668 173.263 174.900 0.051 0.000 1.413 134 G CA -0.943 44.179 45.100 0.038 0.000 0.993 134 G HN 0.157 nan 8.290 nan 0.000 0.642 135 N N -0.633 118.116 118.700 0.083 0.000 2.321 135 N HA 0.622 5.361 4.740 -0.001 0.000 0.299 135 N C -1.016 174.605 175.510 0.184 0.000 1.048 135 N CA -0.567 52.554 53.050 0.117 0.000 0.836 135 N CB 2.257 40.797 38.487 0.090 0.000 1.269 135 N HN 0.682 nan 8.380 nan 0.000 0.486 136 W N 3.860 125.169 121.300 0.014 0.000 2.570 136 W HA 0.628 5.287 4.660 -0.001 0.000 0.337 136 W C -1.231 175.309 176.519 0.035 0.000 1.067 136 W CA -0.802 56.553 57.345 0.018 0.000 1.229 136 W CB 1.057 30.519 29.460 0.003 0.000 1.355 136 W HN 0.284 nan 8.180 nan 0.000 0.555 137 M N 5.539 124.588 119.600 -0.919 0.000 2.326 137 M HA 0.306 4.786 4.480 -0.001 0.000 0.292 137 M C -0.210 175.183 176.300 -1.512 0.000 1.081 137 M CA -0.577 54.150 55.300 -0.954 0.000 0.919 137 M CB 1.753 34.140 32.600 -0.354 0.000 1.634 137 M HN 0.555 nan 8.290 nan 0.000 0.451 138 S N 4.011 118.879 115.700 -1.388 0.000 2.585 138 S HA 0.348 4.817 4.470 -0.001 0.000 0.273 138 S C -2.282 172.156 174.600 -0.270 0.000 1.339 138 S CA -0.850 56.876 58.200 -0.790 0.000 1.028 138 S CB 0.509 63.527 63.200 -0.304 0.000 0.906 138 S HN 0.585 nan 8.310 nan 0.000 0.528 139 P HA -0.188 nan 4.420 nan 0.000 0.216 139 P C 1.612 178.958 177.300 0.077 0.000 1.153 139 P CA 1.293 64.428 63.100 0.060 0.000 0.858 139 P CB -0.119 31.625 31.700 0.073 0.000 0.789 140 N N -0.214 118.503 118.700 0.028 0.000 2.043 140 N HA -0.202 4.537 4.740 -0.001 0.000 0.193 140 N C 1.606 177.109 175.510 -0.011 0.000 1.037 140 N CA 1.959 55.016 53.050 0.012 0.000 0.851 140 N CB -0.450 38.047 38.487 0.017 0.000 1.027 140 N HN -0.005 nan 8.380 nan 0.000 0.422 141 A N 0.449 123.251 122.820 -0.031 0.000 1.898 141 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 141 A C 2.077 179.651 177.584 -0.016 0.000 1.181 141 A CA 0.969 52.981 52.037 -0.042 0.000 0.620 141 A CB -1.049 17.901 19.000 -0.082 0.000 0.819 141 A HN 0.493 nan 8.150 nan 0.000 0.442 142 F N 0.731 120.603 119.950 -0.132 0.000 2.095 142 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 142 F C 2.314 178.076 175.800 -0.064 0.000 1.104 142 F CA 2.353 60.293 58.000 -0.100 0.000 1.232 142 F CB -0.518 38.413 39.000 -0.115 0.000 0.987 142 F HN 0.293 nan 8.300 nan 0.000 0.475 143 Q N 0.773 120.411 119.800 -0.269 0.000 2.124 143 Q HA -0.070 4.269 4.340 -0.001 0.000 0.202 143 Q C 2.211 178.041 176.000 -0.282 0.000 0.977 143 Q CA 1.960 57.547 55.803 -0.360 0.000 0.850 143 Q CB -0.758 27.901 28.738 -0.131 0.000 0.901 143 Q HN 0.485 nan 8.270 nan 0.000 0.429 144 A N 0.110 122.825 122.820 -0.176 0.000 1.898 144 A HA -0.029 4.290 4.320 -0.001 0.000 0.216 144 A C 2.278 179.768 177.584 -0.157 0.000 1.181 144 A CA 1.788 53.745 52.037 -0.132 0.000 0.620 144 A CB -1.136 17.816 19.000 -0.080 0.000 0.819 144 A HN 0.483 nan 8.150 nan 0.000 0.442 145 A N -0.485 122.230 122.820 -0.176 0.000 1.908 145 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 145 A C 2.237 179.687 177.584 -0.224 0.000 1.181 145 A CA 1.903 53.840 52.037 -0.168 0.000 0.627 145 A CB -0.996 17.944 19.000 -0.101 0.000 0.818 145 A HN 0.401 nan 8.150 nan 0.000 0.445 146 V N 0.081 119.795 119.914 -0.333 0.000 2.295 146 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 146 V C 2.650 178.674 176.094 -0.118 0.000 1.049 146 V CA 2.047 64.213 62.300 -0.224 0.000 1.024 146 V CB -0.723 30.805 31.823 -0.493 0.000 0.648 146 V HN 0.560 nan 8.190 nan 0.000 0.447 147 Q N -0.274 119.430 119.800 -0.161 0.000 2.291 147 Q HA -0.176 4.163 4.340 -0.001 0.000 0.205 147 Q C 2.093 178.029 176.000 -0.107 0.000 0.970 147 Q CA 1.141 56.880 55.803 -0.107 0.000 0.876 147 Q CB -0.245 28.434 28.738 -0.099 0.000 0.935 147 Q HN 0.723 nan 8.270 nan 0.000 0.455 148 E N -0.078 120.036 120.200 -0.143 0.000 2.285 148 E HA -0.064 4.285 4.350 -0.001 0.000 0.194 148 E C 1.812 178.272 176.600 -0.234 0.000 0.997 148 E CA 0.500 56.808 56.400 -0.153 0.000 0.845 148 E CB 0.239 29.852 29.700 -0.146 0.000 0.782 148 E HN 0.218 nan 8.360 nan 0.000 0.491 149 R N -1.005 119.269 120.500 -0.377 0.000 2.119 149 R HA 0.143 4.482 4.340 -0.001 0.000 0.202 149 R C 1.713 177.618 176.300 -0.657 0.000 1.114 149 R CA 0.299 55.892 56.100 -0.844 0.000 1.089 149 R CB -0.011 29.250 30.300 -1.732 0.000 1.000 149 R HN 0.042 nan 8.270 nan 0.000 0.487 150 F N 1.381 121.119 119.950 -0.353 0.000 2.293 150 F HA 0.118 4.645 4.527 -0.001 0.000 0.297 150 F C -1.363 174.416 175.800 -0.036 0.000 1.089 150 F CA -0.436 57.506 58.000 -0.096 0.000 1.377 150 F CB -0.789 38.170 39.000 -0.069 0.000 1.051 150 F HN -0.212 nan 8.300 nan 0.000 0.511 151 P HA 0.099 nan 4.420 nan 0.000 0.262 151 P C 0.657 177.981 177.300 0.041 0.000 1.199 151 P CA 1.431 64.563 63.100 0.054 0.000 0.763 151 P CB 0.216 31.923 31.700 0.011 0.000 0.790 152 G N 3.061 111.890 108.800 0.048 0.000 2.168 152 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.263 152 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.263 152 G C 1.131 176.055 174.900 0.039 0.000 0.977 152 G CA 0.311 45.431 45.100 0.033 0.000 0.659 152 G HN 0.681 nan 8.290 nan 0.000 0.533 153 C N -1.315 118.027 119.300 0.069 0.000 2.432 153 C HA 0.444 4.903 4.460 -0.001 0.000 0.282 153 C C 2.334 177.335 174.990 0.018 0.000 1.388 153 C CA 1.361 60.417 59.018 0.064 0.000 1.777 153 C CB -0.675 27.143 27.740 0.130 0.000 1.882 153 C HN 0.488 nan 8.230 nan 0.000 0.520 154 M N 1.262 120.878 119.600 0.027 0.000 2.419 154 M HA 0.301 4.780 4.480 -0.001 0.000 0.252 154 M C 1.066 177.361 176.300 -0.007 0.000 1.143 154 M CA -0.031 55.270 55.300 0.003 0.000 0.985 154 M CB -0.033 32.576 32.600 0.014 0.000 1.489 154 M HN 0.349 nan 8.290 nan 0.000 0.484 155 A N 0.949 123.768 122.820 -0.003 0.000 2.580 155 A HA 0.314 4.634 4.320 -0.001 0.000 0.244 155 A C 1.469 179.044 177.584 -0.014 0.000 1.045 155 A CA 1.211 53.243 52.037 -0.007 0.000 0.761 155 A CB -0.631 18.367 19.000 -0.004 0.000 0.962 155 A HN 0.900 nan 8.150 nan 0.000 0.512 156 G N 2.369 111.159 108.800 -0.017 0.000 2.205 156 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.261 156 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.261 156 G C 0.361 175.248 174.900 -0.022 0.000 0.980 156 G CA 0.669 45.758 45.100 -0.018 0.000 0.632 156 G HN 0.979 nan 8.290 nan 0.000 0.533 157 R N 0.463 120.947 120.500 -0.026 0.000 2.732 157 R HA 0.527 4.866 4.340 -0.001 0.000 0.278 157 R C -2.868 173.394 176.300 -0.063 0.000 0.976 157 R CA -2.088 53.996 56.100 -0.027 0.000 0.963 157 R CB 1.637 31.930 30.300 -0.013 0.000 1.150 157 R HN 0.040 nan 8.270 nan 0.000 0.478 158 P HA 0.058 nan 4.420 nan 0.000 0.271 158 P C -0.866 176.272 177.300 -0.270 0.000 1.216 158 P CA -0.280 62.662 63.100 -0.265 0.000 0.776 158 P CB 0.585 31.993 31.700 -0.487 0.000 0.881 159 L N 4.374 125.446 121.223 -0.250 0.000 2.275 159 L HA 0.417 4.756 4.340 -0.001 0.000 0.288 159 L C -1.049 175.673 176.870 -0.246 0.000 1.046 159 L CA -0.544 54.211 54.840 -0.143 0.000 0.805 159 L CB 0.127 42.140 42.059 -0.077 0.000 1.193 159 L HN 0.287 nan 8.230 nan 0.000 0.426 160 Y N 3.866 124.177 120.300 0.018 0.000 2.330 160 Y HA 0.467 5.016 4.550 -0.001 0.000 0.336 160 Y C -0.052 175.872 175.900 0.040 0.000 1.036 160 Y CA -0.713 57.400 58.100 0.022 0.000 1.125 160 Y CB 1.814 40.287 38.460 0.022 0.000 1.194 160 Y HN 0.213 nan 8.280 nan 0.000 0.469 161 V N 5.693 125.710 119.914 0.170 0.000 2.370 161 V HA 0.337 4.456 4.120 -0.001 0.000 0.279 161 V C -0.135 176.055 176.094 0.161 0.000 1.029 161 V CA -0.717 61.668 62.300 0.142 0.000 0.870 161 V CB 0.858 32.726 31.823 0.074 0.000 0.984 161 V HN 0.591 nan 8.190 nan 0.000 0.451 162 I N 7.472 128.163 120.570 0.202 0.000 2.428 162 I HA 0.351 4.520 4.170 -0.001 0.000 0.279 162 I C -2.556 173.742 176.117 0.302 0.000 1.040 162 I CA -1.914 59.513 61.300 0.212 0.000 1.171 162 I CB 1.810 39.915 38.000 0.176 0.000 1.312 162 I HN 0.411 nan 8.210 nan 0.000 0.470 163 P HA 0.310 nan 4.420 nan 0.000 0.287 163 P C -0.975 176.460 177.300 0.225 0.000 1.281 163 P CA -0.067 63.110 63.100 0.128 0.000 0.781 163 P CB 0.442 32.150 31.700 0.015 0.000 0.903 164 F N -0.420 119.560 119.950 0.050 0.000 2.626 164 F HA 0.772 5.299 4.527 -0.001 0.000 0.311 164 F C -0.883 174.948 175.800 0.050 0.000 1.088 164 F CA -1.300 56.723 58.000 0.038 0.000 0.949 164 F CB 1.325 40.347 39.000 0.037 0.000 1.322 164 F HN 0.167 nan 8.300 nan 0.000 0.461 165 S N 2.737 118.524 115.700 0.144 0.000 2.473 165 S HA 0.647 5.116 4.470 -0.001 0.000 0.307 165 S C -0.747 173.880 174.600 0.046 0.000 1.094 165 S CA -0.778 57.436 58.200 0.023 0.000 1.070 165 S CB 0.739 63.934 63.200 -0.009 0.000 1.019 165 S HN 0.608 nan 8.310 nan 0.000 0.480 166 M N 4.308 123.862 119.600 -0.076 0.000 2.151 166 M HA 0.450 4.929 4.480 -0.001 0.000 0.349 166 M C 0.736 176.847 176.300 -0.315 0.000 1.284 166 M CA 0.164 55.290 55.300 -0.291 0.000 1.173 166 M CB -0.481 31.771 32.600 -0.581 0.000 1.469 166 M HN 1.017 nan 8.290 nan 0.000 0.439 167 G N 5.678 114.308 108.800 -0.283 0.000 2.570 167 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.686 167 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.686 167 G C -3.329 171.474 174.900 -0.161 0.000 1.257 167 G CA -1.432 43.531 45.100 -0.227 0.000 0.846 167 G HN 0.375 nan 8.290 nan 0.000 0.627 168 P HA 0.217 nan 4.420 nan 0.000 0.263 168 P C -1.747 175.487 177.300 -0.110 0.000 1.195 168 P CA -0.778 62.222 63.100 -0.167 0.000 0.762 168 P CB 0.461 32.041 31.700 -0.200 0.000 0.799 169 P HA -0.163 nan 4.420 nan 0.000 0.219 169 P C 1.141 178.410 177.300 -0.052 0.000 1.146 169 P CA 1.695 64.762 63.100 -0.056 0.000 0.808 169 P CB -0.364 31.309 31.700 -0.045 0.000 0.779 170 T N -5.795 108.720 114.554 -0.064 0.000 3.107 170 T HA 0.126 4.475 4.350 -0.001 0.000 0.249 170 T C 0.859 175.522 174.700 -0.063 0.000 1.096 170 T CA -0.269 61.796 62.100 -0.057 0.000 1.012 170 T CB -0.622 68.211 68.868 -0.058 0.000 0.977 170 T HN -0.057 nan 8.240 nan 0.000 0.527 171 S N 2.438 118.095 115.700 -0.073 0.000 2.549 171 S HA 0.251 4.720 4.470 -0.001 0.000 0.279 171 S C -1.546 173.014 174.600 -0.067 0.000 1.321 171 S CA -1.304 56.850 58.200 -0.075 0.000 1.054 171 S CB 0.959 64.108 63.200 -0.085 0.000 0.899 171 S HN 0.092 nan 8.310 nan 0.000 0.497 172 P HA 0.025 nan 4.420 nan 0.000 0.225 172 P C 0.695 177.918 177.300 -0.128 0.000 1.148 172 P CA 0.863 63.912 63.100 -0.084 0.000 0.779 172 P CB 0.076 31.730 31.700 -0.078 0.000 0.780 173 L N -2.320 118.828 121.223 -0.126 0.000 2.567 173 L HA 0.235 4.574 4.340 -0.001 0.000 0.225 173 L C 1.170 178.017 176.870 -0.038 0.000 1.119 173 L CA -0.405 54.326 54.840 -0.182 0.000 0.871 173 L CB -0.559 41.428 42.059 -0.119 0.000 1.036 173 L HN -0.119 nan 8.230 nan 0.000 0.459 174 A N 0.956 123.777 122.820 0.002 0.000 2.386 174 A HA 0.407 4.727 4.320 -0.001 0.000 0.248 174 A C 0.037 177.711 177.584 0.149 0.000 1.082 174 A CA 0.133 52.221 52.037 0.085 0.000 0.789 174 A CB 0.389 19.388 19.000 -0.003 0.000 1.025 174 A HN 0.040 nan 8.150 nan 0.000 0.490 175 K N 1.267 121.837 120.400 0.283 0.000 2.422 175 K HA 0.542 4.861 4.320 -0.001 0.000 0.251 175 K C -1.164 175.593 176.600 0.262 0.000 0.933 175 K CA -0.327 56.151 56.287 0.318 0.000 0.798 175 K CB 1.864 34.693 32.500 0.547 0.000 1.238 175 K HN 0.646 nan 8.250 nan 0.000 0.428 176 L N 0.684 122.040 121.223 0.221 0.000 2.344 176 L HA 0.733 5.073 4.340 -0.001 0.000 0.272 176 L C 0.761 177.685 176.870 0.090 0.000 1.035 176 L CA -0.872 54.005 54.840 0.062 0.000 0.807 176 L CB 1.740 43.810 42.059 0.019 0.000 1.237 176 L HN 0.720 nan 8.230 nan 0.000 0.442 177 G N 0.490 109.047 108.800 -0.405 0.000 2.642 177 G HA2 0.635 4.594 3.960 -0.001 0.000 0.293 177 G HA3 0.635 4.594 3.960 -0.001 0.000 0.293 177 G C -1.753 172.886 174.900 -0.434 0.000 1.341 177 G CA -0.383 44.433 45.100 -0.473 0.000 0.916 177 G HN 0.274 nan 8.290 nan 0.000 0.474 178 V N 0.621 120.585 119.914 0.082 0.000 2.483 178 V HA 0.477 4.596 4.120 -0.001 0.000 0.297 178 V C -0.259 176.175 176.094 0.566 0.000 1.027 178 V CA -0.631 61.821 62.300 0.252 0.000 0.855 178 V CB 1.397 33.297 31.823 0.128 0.000 0.995 178 V HN 0.830 nan 8.190 nan 0.000 0.424 179 Q N 3.886 124.070 119.800 0.640 0.000 2.307 179 Q HA 0.698 5.038 4.340 -0.001 0.000 0.262 179 Q C -0.859 175.376 176.000 0.392 0.000 0.961 179 Q CA -0.583 55.538 55.803 0.529 0.000 0.882 179 Q CB 2.072 31.030 28.738 0.367 0.000 1.264 179 Q HN 0.773 nan 8.270 nan 0.000 0.446 180 V N 1.094 121.235 119.914 0.379 0.000 2.532 180 V HA 0.886 5.005 4.120 -0.001 0.000 0.295 180 V C -0.422 175.832 176.094 0.267 0.000 1.041 180 V CA -0.258 62.180 62.300 0.229 0.000 0.926 180 V CB 1.548 33.395 31.823 0.041 0.000 0.992 180 V HN 0.816 nan 8.190 nan 0.000 0.457 181 T N 1.666 116.375 114.554 0.258 0.000 2.853 181 T HA 0.462 4.811 4.350 -0.001 0.000 0.311 181 T C -0.719 174.150 174.700 0.281 0.000 1.307 181 T CA 0.198 62.486 62.100 0.313 0.000 1.019 181 T CB 1.985 71.061 68.868 0.346 0.000 1.264 181 T HN 1.025 nan 8.240 nan 0.000 0.497 182 D N 0.894 121.417 120.400 0.205 0.000 2.424 182 D HA 0.259 4.898 4.640 -0.001 0.000 0.220 182 D C 0.201 176.602 176.300 0.168 0.000 1.150 182 D CA -0.233 53.876 54.000 0.181 0.000 0.831 182 D CB 0.303 41.130 40.800 0.044 0.000 0.981 182 D HN 0.243 nan 8.370 nan 0.000 0.500 183 S N 0.816 116.609 115.700 0.154 0.000 2.566 183 S HA 0.412 4.881 4.470 -0.001 0.000 0.324 183 S C -1.963 172.568 174.600 -0.115 0.000 1.081 183 S CA -1.523 56.696 58.200 0.032 0.000 1.105 183 S CB 1.575 64.813 63.200 0.064 0.000 0.981 183 S HN -0.233 nan 8.310 nan 0.000 0.464 184 P HA -0.089 nan 4.420 nan 0.000 0.218 184 P C 1.019 178.196 177.300 -0.205 0.000 1.149 184 P CA 0.746 63.606 63.100 -0.399 0.000 0.817 184 P CB -0.098 31.448 31.700 -0.256 0.000 0.785 185 Y N 0.696 120.887 120.300 -0.181 0.000 2.165 185 Y HA -0.229 4.321 4.550 -0.001 0.000 0.286 185 Y C 2.057 177.878 175.900 -0.132 0.000 1.155 185 Y CA 1.443 59.480 58.100 -0.104 0.000 1.164 185 Y CB -1.009 37.437 38.460 -0.024 0.000 0.978 185 Y HN -0.285 nan 8.280 nan 0.000 0.513 186 V N -0.637 119.239 119.914 -0.065 0.000 2.287 186 V HA -0.336 3.783 4.120 -0.001 0.000 0.248 186 V C 2.368 178.298 176.094 -0.273 0.000 1.053 186 V CA 1.790 63.973 62.300 -0.196 0.000 1.027 186 V CB -0.914 30.825 31.823 -0.139 0.000 0.646 186 V HN 0.394 nan 8.190 nan 0.000 0.447 187 V N -0.377 119.377 119.914 -0.266 0.000 2.255 187 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 187 V C 2.380 178.317 176.094 -0.262 0.000 1.051 187 V CA 2.238 64.376 62.300 -0.270 0.000 1.018 187 V CB -0.686 30.904 31.823 -0.388 0.000 0.641 187 V HN 0.496 nan 8.190 nan 0.000 0.445 188 L N 0.087 121.136 121.223 -0.290 0.000 2.042 188 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 188 L C 2.511 179.216 176.870 -0.276 0.000 1.076 188 L CA 2.319 57.001 54.840 -0.263 0.000 0.749 188 L CB -0.548 41.348 42.059 -0.271 0.000 0.893 188 L HN 0.292 nan 8.230 nan 0.000 0.432 189 S N -1.255 114.214 115.700 -0.384 0.000 2.387 189 S HA -0.091 4.379 4.470 -0.001 0.000 0.226 189 S C 1.893 176.304 174.600 -0.314 0.000 1.026 189 S CA 1.242 59.213 58.200 -0.381 0.000 0.972 189 S CB -0.193 62.672 63.200 -0.558 0.000 0.814 189 S HN 0.346 nan 8.310 nan 0.000 0.477 190 M N 1.282 120.692 119.600 -0.316 0.000 2.159 190 M HA -0.005 4.474 4.480 -0.001 0.000 0.263 190 M C 2.035 178.200 176.300 -0.225 0.000 1.063 190 M CA 1.292 56.407 55.300 -0.309 0.000 1.110 190 M CB -1.025 31.376 32.600 -0.332 0.000 1.374 190 M HN 0.235 nan 8.290 nan 0.000 0.411 191 R N -0.064 120.331 120.500 -0.176 0.000 2.096 191 R HA -0.070 4.269 4.340 -0.001 0.000 0.235 191 R C 2.126 178.366 176.300 -0.099 0.000 1.127 191 R CA 1.175 57.207 56.100 -0.113 0.000 0.968 191 R CB -0.334 29.907 30.300 -0.099 0.000 0.861 191 R HN 0.348 nan 8.270 nan 0.000 0.440 192 I N -0.136 120.360 120.570 -0.122 0.000 2.286 192 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 192 I C 1.960 178.012 176.117 -0.109 0.000 1.104 192 I CA 0.891 62.133 61.300 -0.095 0.000 1.397 192 I CB -0.035 37.911 38.000 -0.089 0.000 1.072 192 I HN 0.130 nan 8.210 nan 0.000 0.417 193 M N 0.082 119.589 119.600 -0.155 0.000 2.506 193 M HA 0.090 4.569 4.480 -0.001 0.000 0.260 193 M C 0.958 177.163 176.300 -0.159 0.000 1.104 193 M CA 0.703 55.899 55.300 -0.172 0.000 1.112 193 M CB -0.951 31.510 32.600 -0.232 0.000 1.401 193 M HN 0.340 nan 8.290 nan 0.000 0.473 194 T N -1.745 112.728 114.554 -0.135 0.000 2.838 194 T HA 0.651 5.000 4.350 -0.001 0.000 0.292 194 T C -0.584 174.104 174.700 -0.021 0.000 1.113 194 T CA -0.990 61.063 62.100 -0.078 0.000 1.008 194 T CB 2.132 70.953 68.868 -0.079 0.000 1.259 194 T HN -0.020 nan 8.240 nan 0.000 0.520 195 R N 0.504 121.019 120.500 0.026 0.000 2.202 195 R HA 0.662 5.001 4.340 -0.001 0.000 0.334 195 R C -0.944 175.401 176.300 0.076 0.000 1.036 195 R CA -0.377 55.739 56.100 0.027 0.000 0.878 195 R CB 0.982 31.281 30.300 -0.001 0.000 1.067 195 R HN 0.539 nan 8.270 nan 0.000 0.457 196 V N 2.746 122.690 119.914 0.050 0.000 2.444 196 V HA 0.913 5.032 4.120 -0.001 0.000 0.294 196 V C 0.401 176.516 176.094 0.035 0.000 1.022 196 V CA -0.364 61.976 62.300 0.066 0.000 0.850 196 V CB 1.536 33.387 31.823 0.047 0.000 0.992 196 V HN 0.937 nan 8.190 nan 0.000 0.426 197 G N 5.310 114.129 108.800 0.032 0.000 2.324 197 G HA2 0.348 4.307 3.960 -0.001 0.000 0.293 197 G HA3 0.348 4.307 3.960 -0.001 0.000 0.293 197 G C -2.919 171.986 174.900 0.008 0.000 1.297 197 G CA -0.267 44.842 45.100 0.016 0.000 0.853 197 G HN 0.381 nan 8.290 nan 0.000 0.535 198 P HA -0.026 nan 4.420 nan 0.000 0.215 198 P C 2.284 179.579 177.300 -0.008 0.000 1.157 198 P CA 2.651 65.749 63.100 -0.003 0.000 0.868 198 P CB 0.042 31.740 31.700 -0.003 0.000 0.788 199 A N -0.734 122.079 122.820 -0.011 0.000 1.986 199 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 199 A C 2.286 179.859 177.584 -0.018 0.000 1.171 199 A CA 1.994 54.021 52.037 -0.017 0.000 0.640 199 A CB -1.703 17.284 19.000 -0.023 0.000 0.811 199 A HN 0.073 nan 8.150 nan 0.000 0.451 200 V N -0.321 119.585 119.914 -0.013 0.000 2.302 200 V HA -0.189 3.930 4.120 -0.001 0.000 0.243 200 V C 2.475 178.550 176.094 -0.032 0.000 1.036 200 V CA 1.623 63.912 62.300 -0.018 0.000 1.020 200 V CB -0.765 31.058 31.823 -0.000 0.000 0.657 200 V HN 0.569 nan 8.190 nan 0.000 0.453 201 L N -0.250 120.957 121.223 -0.028 0.000 2.127 201 L HA -0.280 4.059 4.340 -0.001 0.000 0.211 201 L C 2.693 179.543 176.870 -0.034 0.000 1.089 201 L CA 1.684 56.502 54.840 -0.038 0.000 0.757 201 L CB -0.480 41.563 42.059 -0.025 0.000 0.899 201 L HN 0.450 nan 8.230 nan 0.000 0.434 202 Q N -0.760 119.025 119.800 -0.024 0.000 2.291 202 Q HA -0.140 4.199 4.340 -0.001 0.000 0.205 202 Q C 1.951 177.940 176.000 -0.019 0.000 0.970 202 Q CA 0.969 56.760 55.803 -0.019 0.000 0.876 202 Q CB 0.122 28.850 28.738 -0.016 0.000 0.935 202 Q HN 0.463 nan 8.270 nan 0.000 0.455 203 R N -0.560 119.927 120.500 -0.022 0.000 2.308 203 R HA 0.130 4.470 4.340 -0.001 0.000 0.202 203 R C -0.175 176.116 176.300 -0.014 0.000 0.898 203 R CA -0.283 55.807 56.100 -0.017 0.000 1.046 203 R CB 0.383 30.672 30.300 -0.017 0.000 1.026 203 R HN 0.068 nan 8.270 nan 0.000 0.512 204 L N 2.604 123.807 121.223 -0.034 0.000 2.410 204 L HA 0.049 4.389 4.340 -0.001 0.000 0.273 204 L C -0.032 176.829 176.870 -0.014 0.000 1.152 204 L CA 0.507 55.317 54.840 -0.051 0.000 0.855 204 L CB 0.489 42.467 42.059 -0.135 0.000 1.129 204 L HN 0.167 nan 8.230 nan 0.000 0.463 205 D N 1.173 121.603 120.400 0.049 0.000 3.224 205 D HA 0.199 4.838 4.640 -0.001 0.000 0.268 205 D C 0.284 176.710 176.300 0.210 0.000 1.310 205 D CA -0.242 53.810 54.000 0.087 0.000 1.035 205 D CB 0.036 40.871 40.800 0.059 0.000 1.293 205 D HN 0.335 nan 8.370 nan 0.000 0.630 206 D N -0.713 119.783 120.400 0.161 0.000 2.264 206 D HA -0.001 4.639 4.640 -0.001 0.000 0.208 206 D C -0.293 176.071 176.300 0.107 0.000 0.966 206 D CA 0.947 55.042 54.000 0.158 0.000 0.864 206 D CB -0.195 40.639 40.800 0.057 0.000 0.933 206 D HN 0.306 nan 8.370 nan 0.000 0.499 207 D N -0.143 120.333 120.400 0.126 0.000 2.479 207 D HA 0.235 4.874 4.640 -0.001 0.000 0.218 207 D C -0.926 175.460 176.300 0.143 0.000 1.131 207 D CA -0.523 53.502 54.000 0.040 0.000 0.916 207 D CB -0.455 40.365 40.800 0.033 0.000 1.022 207 D HN -0.021 nan 8.370 nan 0.000 0.515 208 F N 0.518 120.419 119.950 -0.082 0.000 2.668 208 F HA 0.562 5.088 4.527 -0.001 0.000 0.309 208 F C -1.502 174.174 175.800 -0.207 0.000 1.117 208 F CA -1.359 56.573 58.000 -0.113 0.000 0.951 208 F CB 0.722 39.654 39.000 -0.113 0.000 1.323 208 F HN -0.182 nan 8.300 nan 0.000 0.451 209 V N 2.765 122.554 119.914 -0.209 0.000 2.432 209 V HA 0.400 4.519 4.120 -0.001 0.000 0.271 209 V C -0.008 175.917 176.094 -0.283 0.000 1.046 209 V CA -0.471 61.561 62.300 -0.446 0.000 0.945 209 V CB 0.644 31.946 31.823 -0.868 0.000 0.992 209 V HN 0.622 nan 8.190 nan 0.000 0.471 210 R N 3.426 123.593 120.500 -0.554 0.000 2.316 210 R HA 0.374 4.713 4.340 -0.001 0.000 0.314 210 R C -0.701 175.376 176.300 -0.372 0.000 1.069 210 R CA 0.085 55.704 56.100 -0.802 0.000 0.959 210 R CB 0.269 29.832 30.300 -1.228 0.000 0.987 210 R HN 0.737 nan 8.270 nan 0.000 0.446 211 C N 5.136 124.443 119.300 0.011 0.000 2.321 211 C HA 0.415 4.874 4.460 -0.001 0.000 0.323 211 C C -0.851 174.433 174.990 0.490 0.000 1.191 211 C CA -1.013 58.164 59.018 0.265 0.000 1.455 211 C CB 0.113 28.080 27.740 0.377 0.000 2.083 211 C HN 0.614 nan 8.230 nan 0.000 0.442 212 L N 5.003 126.479 121.223 0.422 0.000 2.287 212 L HA 0.591 4.931 4.340 -0.001 0.000 0.287 212 L C -0.354 176.762 176.870 0.410 0.000 1.022 212 L CA 0.366 55.449 54.840 0.405 0.000 0.814 212 L CB 0.310 42.506 42.059 0.229 0.000 1.217 212 L HN 0.793 nan 8.230 nan 0.000 0.420 213 H N 3.543 122.806 119.070 0.321 0.000 2.679 213 H HA 0.607 5.163 4.556 -0.001 0.000 0.360 213 H C -1.800 173.707 175.328 0.299 0.000 1.105 213 H CA -0.406 55.829 56.048 0.312 0.000 1.196 213 H CB 2.011 31.888 29.762 0.192 0.000 1.636 213 H HN 0.670 nan 8.280 nan 0.000 0.531 214 S N 3.362 118.764 115.700 -0.495 0.000 2.540 214 S HA 0.196 4.665 4.470 -0.001 0.000 0.275 214 S C 1.059 175.105 174.600 -0.923 0.000 1.123 214 S CA -0.245 57.598 58.200 -0.595 0.000 0.907 214 S CB 1.212 64.273 63.200 -0.232 0.000 1.081 214 S HN 0.569 nan 8.310 nan 0.000 0.476 215 V N 2.132 121.646 119.914 -0.667 0.000 3.078 215 V HA 0.306 4.426 4.120 -0.001 0.000 0.265 215 V C 1.460 177.149 176.094 -0.675 0.000 1.122 215 V CA 1.161 63.143 62.300 -0.529 0.000 1.141 215 V CB -1.487 30.122 31.823 -0.356 0.000 0.735 215 V HN 1.892 nan 8.190 nan 0.000 0.498 216 G N 0.848 109.176 108.800 -0.788 0.000 2.225 216 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.264 216 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.264 216 G C 0.127 174.837 174.900 -0.318 0.000 1.060 216 G CA 0.464 45.062 45.100 -0.837 0.000 0.833 216 G HN 0.822 nan 8.290 nan 0.000 0.498 217 R N 0.630 120.997 120.500 -0.221 0.000 2.585 217 R HA 0.433 4.772 4.340 -0.001 0.000 0.278 217 R C -2.294 173.960 176.300 -0.077 0.000 1.663 217 R CA -1.770 54.259 56.100 -0.119 0.000 1.592 217 R CB 1.253 31.478 30.300 -0.124 0.000 1.200 217 R HN 0.225 nan 8.270 nan 0.000 0.611 218 P HA 0.004 nan 4.420 nan 0.000 0.269 218 P C -0.468 176.819 177.300 -0.021 0.000 1.209 218 P CA 0.089 63.174 63.100 -0.026 0.000 0.776 218 P CB 0.957 32.653 31.700 -0.006 0.000 0.876 219 L N 3.572 124.784 121.223 -0.017 0.000 2.379 219 L HA 0.433 4.772 4.340 -0.001 0.000 0.269 219 L C -1.566 175.299 176.870 -0.007 0.000 1.084 219 L CA -2.094 52.739 54.840 -0.012 0.000 0.802 219 L CB 0.380 42.432 42.059 -0.012 0.000 1.175 219 L HN 0.298 nan 8.230 nan 0.000 0.448 220 P HA 0.234 nan 4.420 nan 0.000 0.278 220 P C -0.714 176.584 177.300 -0.003 0.000 1.238 220 P CA -0.488 62.610 63.100 -0.003 0.000 0.794 220 P CB 0.843 32.543 31.700 -0.001 0.000 0.955 221 L N 1.944 123.166 121.223 -0.003 0.000 2.461 221 L HA 0.086 4.425 4.340 -0.001 0.000 0.272 221 L C 1.712 178.584 176.870 0.003 0.000 1.197 221 L CA 0.183 55.022 54.840 -0.001 0.000 0.836 221 L CB 0.029 42.089 42.059 0.001 0.000 1.105 221 L HN 0.534 nan 8.230 nan 0.000 0.477 222 T N -2.166 112.391 114.554 0.005 0.000 3.069 222 T HA 0.182 4.531 4.350 -0.001 0.000 0.252 222 T C 0.156 174.862 174.700 0.010 0.000 1.053 222 T CA -0.293 61.811 62.100 0.007 0.000 0.964 222 T CB -0.069 68.804 68.868 0.007 0.000 1.005 222 T HN 0.779 nan 8.240 nan 0.000 0.532 223 E N 0.138 120.345 120.200 0.012 0.000 2.416 223 E HA 0.533 4.882 4.350 -0.001 0.000 0.280 223 E C -3.348 173.263 176.600 0.019 0.000 1.055 223 E CA -2.291 54.118 56.400 0.016 0.000 0.825 223 E CB 0.102 29.812 29.700 0.018 0.000 1.312 223 E HN -0.066 nan 8.360 nan 0.000 0.452 224 P HA 0.146 nan 4.420 nan 0.000 0.269 224 P C -0.465 176.857 177.300 0.037 0.000 1.209 224 P CA -0.199 62.918 63.100 0.029 0.000 0.776 224 P CB 0.429 32.146 31.700 0.029 0.000 0.876 225 L N 1.017 122.267 121.223 0.046 0.000 2.466 225 L HA 0.237 4.577 4.340 -0.001 0.000 0.257 225 L C 0.121 177.039 176.870 0.081 0.000 1.189 225 L CA -0.815 54.066 54.840 0.068 0.000 0.813 225 L CB 0.330 42.435 42.059 0.076 0.000 1.118 225 L HN 0.085 nan 8.230 nan 0.000 0.471 226 V N 0.714 120.693 119.914 0.108 0.000 2.407 226 V HA 0.104 4.223 4.120 -0.001 0.000 0.278 226 V C 0.645 176.827 176.094 0.147 0.000 1.037 226 V CA -0.241 62.119 62.300 0.100 0.000 0.900 226 V CB 1.091 32.962 31.823 0.080 0.000 0.983 226 V HN 0.955 nan 8.190 nan 0.000 0.459 227 S N 3.567 119.340 115.700 0.122 0.000 3.533 227 S HA -0.230 4.239 4.470 -0.001 0.000 0.347 227 S C 1.015 175.752 174.600 0.228 0.000 1.101 227 S CA 0.846 59.144 58.200 0.164 0.000 1.009 227 S CB -1.051 62.233 63.200 0.139 0.000 0.916 227 S HN 1.327 nan 8.310 nan 0.000 0.496 228 S N -1.778 114.031 115.700 0.182 0.000 3.521 228 S HA -0.214 4.255 4.470 -0.001 0.000 0.328 228 S C -0.294 174.431 174.600 0.207 0.000 1.165 228 S CA 1.371 59.668 58.200 0.161 0.000 0.941 228 S CB -1.340 61.941 63.200 0.135 0.000 0.951 228 S HN 0.817 nan 8.310 nan 0.000 0.539 229 W N 3.623 124.937 121.300 0.023 0.000 2.322 229 W HA 0.370 5.029 4.660 -0.001 0.000 0.321 229 W C -3.017 173.500 176.519 -0.002 0.000 0.991 229 W CA -2.176 55.172 57.345 0.004 0.000 1.448 229 W CB 1.157 30.625 29.460 0.014 0.000 1.239 229 W HN 0.027 nan 8.180 nan 0.000 0.399 230 P HA 0.201 nan 4.420 nan 0.000 0.280 230 P C -0.363 176.743 177.300 -0.322 0.000 1.244 230 P CA 0.318 63.275 63.100 -0.239 0.000 0.784 230 P CB 1.132 32.694 31.700 -0.231 0.000 0.913 231 C N 0.017 119.236 119.300 -0.135 0.000 3.306 231 C HA 0.643 5.102 4.460 -0.001 0.000 0.335 231 C C -1.139 173.802 174.990 -0.083 0.000 1.382 231 C CA -0.657 58.300 59.018 -0.101 0.000 1.254 231 C CB 1.286 29.087 27.740 0.102 0.000 1.555 231 C HN 0.470 nan 8.230 nan 0.000 0.463 232 D N 0.590 120.930 120.400 -0.100 0.000 2.552 232 D HA 0.443 5.082 4.640 -0.001 0.000 0.285 232 D C -1.852 174.467 176.300 0.031 0.000 1.206 232 D CA -1.416 52.560 54.000 -0.040 0.000 0.826 232 D CB 0.959 41.710 40.800 -0.082 0.000 1.179 232 D HN 0.307 nan 8.370 nan 0.000 0.508 233 P HA -0.147 nan 4.420 nan 0.000 0.216 233 P C 1.434 178.783 177.300 0.082 0.000 1.150 233 P CA 1.046 64.192 63.100 0.077 0.000 0.837 233 P CB 0.171 31.917 31.700 0.078 0.000 0.786 234 S N -1.020 114.726 115.700 0.076 0.000 2.474 234 S HA -0.057 4.412 4.470 -0.001 0.000 0.235 234 S C 1.488 176.141 174.600 0.088 0.000 0.997 234 S CA 0.639 58.883 58.200 0.073 0.000 0.949 234 S CB -0.647 62.588 63.200 0.058 0.000 0.766 234 S HN 0.154 nan 8.310 nan 0.000 0.517 235 R N 0.515 121.091 120.500 0.127 0.000 2.600 235 R HA 0.353 4.693 4.340 -0.001 0.000 0.392 235 R C -0.755 175.693 176.300 0.247 0.000 1.032 235 R CA -0.205 55.993 56.100 0.164 0.000 1.139 235 R CB 0.832 31.245 30.300 0.188 0.000 1.400 235 R HN 0.225 nan 8.270 nan 0.000 0.566 236 V N 2.315 122.347 119.914 0.195 0.000 2.694 236 V HA -0.037 4.082 4.120 -0.001 0.000 0.306 236 V C -0.104 176.121 176.094 0.219 0.000 1.054 236 V CA 0.544 62.970 62.300 0.209 0.000 1.161 236 V CB 0.794 32.708 31.823 0.151 0.000 0.916 236 V HN 0.143 nan 8.190 nan 0.000 0.490 237 L N 6.378 127.763 121.223 0.270 0.000 2.562 237 L HA 0.584 4.924 4.340 -0.001 0.000 0.266 237 L C -0.856 176.182 176.870 0.280 0.000 0.949 237 L CA 0.031 55.024 54.840 0.255 0.000 0.879 237 L CB 2.115 44.329 42.059 0.258 0.000 1.278 237 L HN 0.351 nan 8.230 nan 0.000 0.404 238 V N 4.862 124.913 119.914 0.229 0.000 2.325 238 V HA 0.881 5.000 4.120 -0.001 0.000 0.280 238 V C 0.211 176.365 176.094 0.100 0.000 1.016 238 V CA -0.102 62.311 62.300 0.189 0.000 0.818 238 V CB 0.999 32.957 31.823 0.225 0.000 1.019 238 V HN 0.928 nan 8.190 nan 0.000 0.434 239 A N 3.780 126.580 122.820 -0.035 0.000 2.337 239 A HA 0.902 5.221 4.320 -0.001 0.000 0.329 239 A C -0.974 176.339 177.584 -0.451 0.000 1.146 239 A CA -0.538 51.423 52.037 -0.127 0.000 0.800 239 A CB 0.860 19.808 19.000 -0.086 0.000 1.220 239 A HN 0.909 nan 8.150 nan 0.000 0.472 240 H N 0.582 119.577 119.070 -0.124 0.000 2.658 240 H HA 0.567 5.122 4.556 -0.001 0.000 0.337 240 H C -1.219 173.998 175.328 -0.186 0.000 1.009 240 H CA -0.345 55.645 56.048 -0.097 0.000 1.231 240 H CB 1.273 31.035 29.762 0.001 0.000 1.508 240 H HN 0.422 nan 8.280 nan 0.000 0.517 241 I N 5.099 125.594 120.570 -0.126 0.000 2.750 241 I HA 0.196 4.366 4.170 -0.001 0.000 0.279 241 I C -1.819 174.238 176.117 -0.100 0.000 1.206 241 I CA -1.534 59.663 61.300 -0.172 0.000 1.101 241 I CB 1.433 39.269 38.000 -0.273 0.000 1.431 241 I HN 0.476 nan 8.210 nan 0.000 0.551 242 P HA -0.177 nan 4.420 nan 0.000 0.218 242 P C 1.493 178.744 177.300 -0.081 0.000 1.148 242 P CA 1.395 64.460 63.100 -0.057 0.000 0.822 242 P CB 0.138 31.824 31.700 -0.023 0.000 0.784 243 S N -0.524 115.137 115.700 -0.065 0.000 2.474 243 S HA -0.097 4.373 4.470 -0.001 0.000 0.235 243 S C 1.463 176.013 174.600 -0.083 0.000 0.997 243 S CA 0.805 58.967 58.200 -0.064 0.000 0.949 243 S CB -0.895 62.283 63.200 -0.037 0.000 0.766 243 S HN 0.277 nan 8.310 nan 0.000 0.517 244 E N 0.529 120.667 120.200 -0.103 0.000 2.548 244 E HA 0.258 4.607 4.350 -0.001 0.000 0.206 244 E C -0.519 175.966 176.600 -0.193 0.000 1.005 244 E CA -0.468 55.856 56.400 -0.126 0.000 0.951 244 E CB 0.235 29.876 29.700 -0.097 0.000 1.035 244 E HN 0.411 nan 8.360 nan 0.000 0.470 245 R N 1.168 121.549 120.500 -0.198 0.000 3.251 245 R HA -0.211 4.129 4.340 -0.001 0.000 0.249 245 R C -0.106 176.005 176.300 -0.315 0.000 0.949 245 R CA 0.537 56.477 56.100 -0.266 0.000 0.645 245 R CB -1.742 28.364 30.300 -0.323 0.000 1.065 245 R HN 0.124 nan 8.270 nan 0.000 0.452 246 R N 0.782 121.140 120.500 -0.235 0.000 2.725 246 R HA 0.615 4.954 4.340 -0.001 0.000 0.277 246 R C -1.010 175.197 176.300 -0.155 0.000 0.987 246 R CA -0.798 55.171 56.100 -0.219 0.000 0.901 246 R CB 1.493 31.689 30.300 -0.172 0.000 1.207 246 R HN 0.173 nan 8.270 nan 0.000 0.463 247 I N 3.302 123.805 120.570 -0.111 0.000 2.545 247 I HA 0.428 4.597 4.170 -0.001 0.000 0.292 247 I C -0.906 175.220 176.117 0.014 0.000 1.040 247 I CA -1.053 60.191 61.300 -0.093 0.000 1.068 247 I CB 2.363 40.342 38.000 -0.036 0.000 1.251 247 I HN 0.219 nan 8.210 nan 0.000 0.424 248 V N 4.213 124.146 119.914 0.033 0.000 2.525 248 V HA 0.490 4.609 4.120 -0.001 0.000 0.299 248 V C -0.536 175.740 176.094 0.304 0.000 1.034 248 V CA -0.406 62.009 62.300 0.193 0.000 0.863 248 V CB 1.841 33.826 31.823 0.270 0.000 0.999 248 V HN 0.753 nan 8.190 nan 0.000 0.423 249 S N 5.241 121.211 115.700 0.451 0.000 2.594 249 S HA 0.795 5.264 4.470 -0.001 0.000 0.296 249 S C -1.513 173.416 174.600 0.549 0.000 1.124 249 S CA -0.389 58.085 58.200 0.456 0.000 1.011 249 S CB 1.090 64.530 63.200 0.401 0.000 1.016 249 S HN 0.589 nan 8.310 nan 0.000 0.485 250 F N 3.781 123.867 119.950 0.226 0.000 2.547 250 F HA 0.660 5.186 4.527 -0.001 0.000 0.316 250 F C 0.836 176.613 175.800 -0.039 0.000 1.121 250 F CA 0.594 58.552 58.000 -0.070 0.000 0.911 250 F CB 1.703 40.533 39.000 -0.282 0.000 1.179 250 F HN 0.887 nan 8.300 nan 0.000 0.443 251 G N 2.778 111.119 108.800 -0.764 0.000 2.195 251 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.224 251 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.224 251 G C -0.184 174.622 174.900 -0.157 0.000 0.990 251 G CA 0.085 44.864 45.100 -0.535 0.000 0.639 251 G HN 1.036 nan 8.290 nan 0.000 0.514 252 S N -0.616 115.087 115.700 0.005 0.000 2.526 252 S HA 0.652 5.122 4.470 -0.001 0.000 0.293 252 S C 1.021 175.784 174.600 0.271 0.000 1.092 252 S CA 0.732 59.040 58.200 0.179 0.000 0.980 252 S CB 1.580 64.925 63.200 0.242 0.000 1.048 252 S HN 1.335 nan 8.310 nan 0.000 0.483 253 G N 2.084 111.053 108.800 0.281 0.000 3.126 253 G HA2 0.156 4.115 3.960 -0.001 0.000 0.224 253 G HA3 0.156 4.115 3.960 -0.001 0.000 0.224 253 G C -0.236 174.945 174.900 0.469 0.000 1.142 253 G CA -0.034 45.179 45.100 0.189 0.000 0.759 253 G HN 0.655 nan 8.290 nan 0.000 0.550 254 Y N 1.579 122.130 120.300 0.419 0.000 2.316 254 Y HA 0.417 4.966 4.550 -0.001 0.000 0.331 254 Y C 1.610 177.656 175.900 0.242 0.000 1.083 254 Y CA 0.396 58.711 58.100 0.358 0.000 1.206 254 Y CB 1.141 39.736 38.460 0.226 0.000 1.195 254 Y HN 0.269 nan 8.280 nan 0.000 0.497 255 G N 3.845 112.578 108.800 -0.111 0.000 2.990 255 G HA2 -0.465 3.494 3.960 -0.001 0.000 0.359 255 G HA3 -0.465 3.494 3.960 -0.001 0.000 0.359 255 G C 1.462 176.345 174.900 -0.028 0.000 0.951 255 G CA 1.062 46.093 45.100 -0.116 0.000 0.794 255 G HN 1.246 nan 8.290 nan 0.000 0.982 256 G N -0.036 108.881 108.800 0.195 0.000 2.498 256 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.219 256 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.219 256 G C 1.538 176.547 174.900 0.182 0.000 1.119 256 G CA 1.435 46.636 45.100 0.169 0.000 0.766 256 G HN 0.560 nan 8.290 nan 0.000 0.552 257 N N 0.476 119.302 118.700 0.211 0.000 2.395 257 N HA -0.047 4.692 4.740 -0.001 0.000 0.175 257 N C 2.355 177.942 175.510 0.129 0.000 1.029 257 N CA 1.410 54.584 53.050 0.208 0.000 0.897 257 N CB 0.172 38.811 38.487 0.252 0.000 0.991 257 N HN 0.487 nan 8.380 nan 0.000 0.441 258 S N -0.521 115.184 115.700 0.010 0.000 2.575 258 S HA 0.238 4.707 4.470 -0.001 0.000 0.230 258 S C 0.662 175.070 174.600 -0.320 0.000 1.062 258 S CA -0.375 57.657 58.200 -0.279 0.000 0.913 258 S CB 0.016 63.050 63.200 -0.277 0.000 0.837 258 S HN 0.017 nan 8.310 nan 0.000 0.487 259 L N 3.206 124.290 121.223 -0.231 0.000 2.358 259 L HA 0.405 4.745 4.340 -0.001 0.000 0.274 259 L C 0.743 177.508 176.870 -0.175 0.000 1.136 259 L CA -0.313 54.355 54.840 -0.286 0.000 0.970 259 L CB 0.443 42.249 42.059 -0.422 0.000 1.314 259 L HN 0.235 nan 8.230 nan 0.000 0.427 260 L N 1.793 122.947 121.223 -0.114 0.000 2.362 260 L HA -0.053 4.287 4.340 -0.001 0.000 0.219 260 L C 2.406 179.382 176.870 0.177 0.000 1.134 260 L CA 0.893 55.774 54.840 0.068 0.000 0.807 260 L CB -0.427 41.725 42.059 0.155 0.000 0.927 260 L HN 0.773 nan 8.230 nan 0.000 0.447 261 G N -0.151 108.646 108.800 -0.006 0.000 2.402 261 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 261 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 261 G C 1.736 176.662 174.900 0.043 0.000 1.162 261 G CA 0.215 45.358 45.100 0.071 0.000 0.777 261 G HN 0.132 nan 8.290 nan 0.000 0.539 262 K N -0.090 120.274 120.400 -0.059 0.000 2.032 262 K HA -0.092 4.227 4.320 -0.001 0.000 0.209 262 K C 2.031 178.608 176.600 -0.039 0.000 1.048 262 K CA 1.269 57.505 56.287 -0.085 0.000 0.927 262 K CB 0.031 32.432 32.500 -0.165 0.000 0.712 262 K HN 0.165 nan 8.250 nan 0.000 0.441 263 K N -1.616 118.801 120.400 0.029 0.000 2.567 263 K HA 0.110 4.429 4.320 -0.001 0.000 0.199 263 K C 2.199 178.918 176.600 0.199 0.000 1.412 263 K CA 0.271 56.562 56.287 0.007 0.000 1.020 263 K CB -0.491 32.003 32.500 -0.011 0.000 1.487 263 K HN 0.064 nan 8.250 nan 0.000 0.531 264 C N 1.561 121.048 119.300 0.310 0.000 2.432 264 C HA -0.051 4.408 4.460 -0.001 0.000 0.277 264 C C 2.483 177.768 174.990 0.492 0.000 1.249 264 C CA 0.582 59.893 59.018 0.488 0.000 1.725 264 C CB -0.817 27.182 27.740 0.431 0.000 2.028 264 C HN 0.339 nan 8.230 nan 0.000 0.477 265 F N 2.025 122.146 119.950 0.284 0.000 2.123 265 F HA 0.219 4.746 4.527 -0.001 0.000 0.289 265 F C 2.399 178.433 175.800 0.390 0.000 1.099 265 F CA 1.209 59.406 58.000 0.329 0.000 1.234 265 F CB -1.226 38.001 39.000 0.379 0.000 1.034 265 F HN 0.126 nan 8.300 nan 0.000 0.479 266 A N 0.142 123.297 122.820 0.558 0.000 2.019 266 A HA -0.054 4.266 4.320 -0.001 0.000 0.219 266 A C 2.195 180.129 177.584 0.583 0.000 1.164 266 A CA 1.834 54.214 52.037 0.572 0.000 0.644 266 A CB -0.674 18.437 19.000 0.185 0.000 0.805 266 A HN 0.492 nan 8.150 nan 0.000 0.449 267 L N -2.760 118.664 121.223 0.335 0.000 2.519 267 L HA 0.133 4.472 4.340 -0.001 0.000 0.194 267 L C 2.690 179.690 176.870 0.216 0.000 1.072 267 L CA 0.137 55.114 54.840 0.228 0.000 0.845 267 L CB -0.413 41.653 42.059 0.010 0.000 1.138 267 L HN 0.174 nan 8.230 nan 0.000 0.487 268 R N 0.412 121.028 120.500 0.192 0.000 2.055 268 R HA -0.032 4.307 4.340 -0.001 0.000 0.228 268 R C 2.181 178.579 176.300 0.162 0.000 1.143 268 R CA 1.116 57.282 56.100 0.111 0.000 0.945 268 R CB -0.218 29.988 30.300 -0.156 0.000 0.841 268 R HN 0.172 nan 8.270 nan 0.000 0.429 269 I N 1.174 121.876 120.570 0.220 0.000 2.179 269 I HA -0.189 3.980 4.170 -0.001 0.000 0.242 269 I C 2.586 178.775 176.117 0.119 0.000 1.088 269 I CA 1.332 62.719 61.300 0.146 0.000 1.357 269 I CB -1.368 36.675 38.000 0.072 0.000 1.051 269 I HN 0.172 nan 8.210 nan 0.000 0.409 270 A N 1.146 124.108 122.820 0.238 0.000 1.933 270 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 270 A C 2.550 179.981 177.584 -0.255 0.000 1.175 270 A CA 2.286 54.347 52.037 0.039 0.000 0.628 270 A CB -0.814 18.264 19.000 0.131 0.000 0.814 270 A HN 0.573 nan 8.150 nan 0.000 0.444 271 S N -0.365 115.324 115.700 -0.018 0.000 2.368 271 S HA -0.210 4.259 4.470 -0.001 0.000 0.225 271 S C 2.095 176.679 174.600 -0.026 0.000 1.030 271 S CA 1.267 59.506 58.200 0.064 0.000 0.999 271 S CB -0.475 62.939 63.200 0.356 0.000 0.844 271 S HN 0.542 nan 8.310 nan 0.000 0.459 272 R N 1.092 121.573 120.500 -0.032 0.000 2.073 272 R HA 0.126 4.465 4.340 -0.001 0.000 0.229 272 R C 2.346 178.399 176.300 -0.412 0.000 1.120 272 R CA 1.509 57.419 56.100 -0.317 0.000 0.967 272 R CB -0.620 29.610 30.300 -0.117 0.000 0.862 272 R HN 0.544 nan 8.270 nan 0.000 0.436 273 M N -0.037 119.374 119.600 -0.316 0.000 2.080 273 M HA -0.153 4.326 4.480 -0.001 0.000 0.260 273 M C 2.475 178.426 176.300 -0.581 0.000 1.068 273 M CA 2.071 57.197 55.300 -0.291 0.000 1.109 273 M CB -0.413 32.145 32.600 -0.070 0.000 1.342 273 M HN 0.186 nan 8.290 nan 0.000 0.405 274 A N -0.364 121.774 122.820 -1.135 0.000 1.908 274 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 274 A C 2.113 179.138 177.584 -0.931 0.000 1.181 274 A CA 1.747 52.744 52.037 -1.733 0.000 0.627 274 A CB -0.856 17.176 19.000 -1.614 0.000 0.818 274 A HN 0.583 nan 8.150 nan 0.000 0.445 275 Q N -0.592 118.666 119.800 -0.903 0.000 2.167 275 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 275 Q C 2.007 177.605 176.000 -0.670 0.000 0.970 275 Q CA 1.785 56.883 55.803 -1.176 0.000 0.855 275 Q CB -0.107 27.942 28.738 -1.148 0.000 0.911 275 Q HN 0.830 nan 8.270 nan 0.000 0.438 276 Q N -0.697 118.817 119.800 -0.478 0.000 2.331 276 Q HA -0.067 4.272 4.340 -0.001 0.000 0.203 276 Q C 1.116 177.037 176.000 -0.133 0.000 0.944 276 Q CA 0.754 56.400 55.803 -0.262 0.000 0.892 276 Q CB 0.391 29.000 28.738 -0.215 0.000 0.983 276 Q HN 0.412 nan 8.270 nan 0.000 0.482 277 Q N -1.101 118.635 119.800 -0.106 0.000 2.189 277 Q HA 0.203 4.542 4.340 -0.001 0.000 0.223 277 Q C 0.129 176.261 176.000 0.219 0.000 0.828 277 Q CA 0.245 56.112 55.803 0.106 0.000 0.967 277 Q CB 1.591 30.518 28.738 0.316 0.000 1.139 277 Q HN 0.382 nan 8.270 nan 0.000 0.497 278 G N 1.621 110.499 108.800 0.130 0.000 2.248 278 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.252 278 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.252 278 G C -0.494 174.606 174.900 0.332 0.000 1.085 278 G CA 0.344 45.578 45.100 0.223 0.000 0.845 278 G HN 0.320 nan 8.290 nan 0.000 0.494 279 W N -1.574 119.769 121.300 0.073 0.000 3.179 279 W HA 0.812 5.471 4.660 -0.001 0.000 0.372 279 W C -1.176 175.374 176.519 0.052 0.000 1.137 279 W CA -1.757 55.595 57.345 0.011 0.000 1.100 279 W CB 0.828 30.261 29.460 -0.044 0.000 1.503 279 W HN 0.200 nan 8.180 nan 0.000 0.601 280 L N 1.643 122.989 121.223 0.205 0.000 2.410 280 L HA 0.718 5.058 4.340 -0.001 0.000 0.270 280 L C -0.362 176.632 176.870 0.206 0.000 0.983 280 L CA -0.983 53.884 54.840 0.044 0.000 0.822 280 L CB 1.819 43.840 42.059 -0.063 0.000 1.285 280 L HN 0.572 nan 8.230 nan 0.000 0.409 281 A N 2.797 125.671 122.820 0.090 0.000 2.310 281 A HA 0.794 5.113 4.320 -0.001 0.000 0.304 281 A C -0.745 177.109 177.584 0.449 0.000 1.231 281 A CA -0.501 51.687 52.037 0.253 0.000 0.799 281 A CB 0.741 19.669 19.000 -0.120 0.000 1.162 281 A HN 0.604 nan 8.150 nan 0.000 0.486 282 E N 0.666 121.200 120.200 0.556 0.000 2.369 282 E HA 0.220 4.569 4.350 -0.001 0.000 0.270 282 E C -1.101 175.791 176.600 0.487 0.000 0.909 282 E CA -0.589 56.145 56.400 0.556 0.000 0.775 282 E CB 1.598 31.680 29.700 0.638 0.000 1.270 282 E HN 0.776 nan 8.360 nan 0.000 0.445 283 H N 2.115 121.374 119.070 0.314 0.000 2.745 283 H HA 0.355 4.910 4.556 -0.001 0.000 0.235 283 H C -0.715 174.760 175.328 0.245 0.000 1.815 283 H CA -0.093 56.078 56.048 0.205 0.000 1.321 283 H CB -0.056 29.800 29.762 0.158 0.000 1.716 283 H HN 0.199 nan 8.280 nan 0.000 0.546 284 M N 3.955 123.733 119.600 0.296 0.000 2.386 284 M HA 0.170 4.649 4.480 -0.001 0.000 0.293 284 M C -0.836 175.594 176.300 0.216 0.000 1.120 284 M CA -1.310 54.130 55.300 0.234 0.000 0.909 284 M CB 2.676 35.449 32.600 0.289 0.000 1.661 284 M HN 0.277 nan 8.290 nan 0.000 0.452 285 L N 1.273 122.617 121.223 0.201 0.000 2.472 285 L HA 0.690 5.030 4.340 -0.001 0.000 0.260 285 L C -0.928 176.071 176.870 0.215 0.000 1.209 285 L CA 0.158 55.119 54.840 0.202 0.000 0.817 285 L CB 0.157 42.330 42.059 0.189 0.000 1.106 285 L HN 0.573 nan 8.230 nan 0.000 0.479 286 I N 2.264 122.965 120.570 0.219 0.000 2.533 286 I HA 0.529 4.698 4.170 -0.001 0.000 0.290 286 I C -0.934 175.342 176.117 0.266 0.000 1.056 286 I CA -0.657 60.787 61.300 0.240 0.000 1.057 286 I CB 1.861 39.996 38.000 0.225 0.000 1.240 286 I HN 0.686 nan 8.210 nan 0.000 0.423 287 L N 3.373 124.769 121.223 0.287 0.000 2.350 287 L HA 1.048 5.387 4.340 -0.001 0.000 0.260 287 L C -0.220 176.826 176.870 0.293 0.000 1.015 287 L CA -0.530 54.473 54.840 0.272 0.000 0.821 287 L CB 1.590 43.761 42.059 0.187 0.000 1.370 287 L HN 0.509 nan 8.230 nan 0.000 0.416 288 G N 0.609 109.525 108.800 0.194 0.000 2.372 288 G HA2 0.643 4.602 3.960 -0.001 0.000 0.323 288 G HA3 0.643 4.602 3.960 -0.001 0.000 0.323 288 G C -1.243 173.674 174.900 0.029 0.000 1.152 288 G CA -0.672 44.340 45.100 -0.146 0.000 0.906 288 G HN 0.556 nan 8.290 nan 0.000 0.460 289 V N 1.896 121.839 119.914 0.047 0.000 2.448 289 V HA 0.539 4.658 4.120 -0.001 0.000 0.295 289 V C -0.012 176.217 176.094 0.224 0.000 1.025 289 V CA -0.595 61.828 62.300 0.205 0.000 0.859 289 V CB 1.758 33.785 31.823 0.340 0.000 0.988 289 V HN 0.765 nan 8.190 nan 0.000 0.431 290 T N 3.257 117.894 114.554 0.138 0.000 2.792 290 T HA 0.424 4.773 4.350 -0.001 0.000 0.280 290 T C 0.212 174.713 174.700 -0.331 0.000 0.990 290 T CA -0.443 61.651 62.100 -0.009 0.000 0.960 290 T CB 1.458 70.335 68.868 0.016 0.000 0.939 290 T HN 0.860 nan 8.240 nan 0.000 0.439 291 S N 3.382 118.650 115.700 -0.719 0.000 2.603 291 S HA 0.273 4.743 4.470 -0.001 0.000 0.268 291 S C -1.768 172.256 174.600 -0.959 0.000 1.317 291 S CA -1.162 56.121 58.200 -1.528 0.000 1.012 291 S CB 0.662 63.058 63.200 -1.340 0.000 0.926 291 S HN 0.292 nan 8.310 nan 0.000 0.539 292 P HA -0.128 nan 4.420 nan 0.000 0.217 292 P C 1.243 178.339 177.300 -0.340 0.000 1.148 292 P CA 1.688 64.453 63.100 -0.558 0.000 0.834 292 P CB -0.178 31.236 31.700 -0.476 0.000 0.783 293 S N -3.026 112.477 115.700 -0.328 0.000 2.575 293 S HA 0.385 4.854 4.470 -0.001 0.000 0.215 293 S C 1.452 175.974 174.600 -0.130 0.000 0.966 293 S CA 0.294 58.387 58.200 -0.179 0.000 0.911 293 S CB -0.629 62.492 63.200 -0.131 0.000 0.780 293 S HN 0.293 nan 8.310 nan 0.000 0.514 294 G N 0.847 109.550 108.800 -0.162 0.000 2.148 294 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.203 294 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.203 294 G C -0.272 174.613 174.900 -0.025 0.000 0.993 294 G CA -0.022 45.027 45.100 -0.085 0.000 0.661 294 G HN 0.664 nan 8.290 nan 0.000 0.518 295 E N 0.503 120.707 120.200 0.007 0.000 2.266 295 E HA 0.601 4.950 4.350 -0.001 0.000 0.277 295 E C -0.059 176.681 176.600 0.233 0.000 1.018 295 E CA -0.715 55.771 56.400 0.143 0.000 0.840 295 E CB 0.610 30.459 29.700 0.249 0.000 1.082 295 E HN 0.228 nan 8.360 nan 0.000 0.395 296 K N 3.654 124.162 120.400 0.180 0.000 2.292 296 K HA 0.385 4.704 4.320 -0.001 0.000 0.257 296 K C -1.052 175.603 176.600 0.092 0.000 0.940 296 K CA -0.811 55.561 56.287 0.141 0.000 0.811 296 K CB 0.932 33.434 32.500 0.004 0.000 1.120 296 K HN 0.424 nan 8.250 nan 0.000 0.428 297 R N 2.946 123.508 120.500 0.103 0.000 2.686 297 R HA 0.316 4.655 4.340 -0.001 0.000 0.283 297 R C -1.246 175.025 176.300 -0.049 0.000 0.978 297 R CA -0.775 55.329 56.100 0.007 0.000 0.897 297 R CB 1.187 31.397 30.300 -0.150 0.000 1.192 297 R HN 0.548 nan 8.270 nan 0.000 0.457 298 Y N 1.456 121.829 120.300 0.122 0.000 2.387 298 Y HA 0.550 5.099 4.550 -0.001 0.000 0.330 298 Y C 0.666 176.640 175.900 0.124 0.000 1.133 298 Y CA -0.461 57.720 58.100 0.136 0.000 1.152 298 Y CB 1.757 40.288 38.460 0.120 0.000 1.215 298 Y HN 0.248 nan 8.280 nan 0.000 0.466 299 M N 2.128 121.903 119.600 0.292 0.000 2.501 299 M HA 0.752 5.232 4.480 -0.001 0.000 0.293 299 M C -1.086 175.344 176.300 0.217 0.000 1.192 299 M CA -0.961 54.465 55.300 0.211 0.000 0.886 299 M CB 2.534 35.225 32.600 0.151 0.000 1.710 299 M HN 0.672 nan 8.290 nan 0.000 0.457 300 A N 1.626 124.557 122.820 0.185 0.000 2.356 300 A HA 1.015 5.334 4.320 -0.001 0.000 0.323 300 A C -1.169 176.488 177.584 0.121 0.000 1.119 300 A CA -0.603 51.544 52.037 0.184 0.000 0.790 300 A CB 1.442 20.570 19.000 0.214 0.000 1.273 300 A HN 0.954 nan 8.150 nan 0.000 0.452 301 A N 0.331 123.237 122.820 0.144 0.000 2.488 301 A HA 0.777 5.096 4.320 -0.001 0.000 0.298 301 A C -0.438 177.199 177.584 0.088 0.000 1.044 301 A CA 0.143 52.218 52.037 0.063 0.000 0.693 301 A CB 1.255 20.403 19.000 0.247 0.000 1.272 301 A HN 2.311 nan 8.150 nan 0.000 0.402 302 A N 1.743 124.510 122.820 -0.088 0.000 2.273 302 A HA 0.782 5.101 4.320 -0.001 0.000 0.315 302 A C -1.203 176.248 177.584 -0.222 0.000 1.256 302 A CA -0.234 51.798 52.037 -0.008 0.000 0.851 302 A CB -0.081 19.010 19.000 0.152 0.000 1.172 302 A HN 0.700 nan 8.150 nan 0.000 0.508 303 F N 3.571 123.481 119.950 -0.066 0.000 2.493 303 F HA 0.529 5.056 4.527 -0.001 0.000 0.329 303 F C -2.137 173.625 175.800 -0.063 0.000 1.126 303 F CA -1.929 56.031 58.000 -0.067 0.000 0.937 303 F CB 2.471 41.447 39.000 -0.039 0.000 1.146 303 F HN 0.371 nan 8.300 nan 0.000 0.442 304 P HA 0.244 nan 4.420 nan 0.000 0.278 304 P C 0.108 177.466 177.300 0.097 0.000 1.258 304 P CA -0.321 62.841 63.100 0.103 0.000 0.811 304 P CB 1.183 32.913 31.700 0.050 0.000 1.063 305 S N -0.901 114.854 115.700 0.092 0.000 3.119 305 S HA -0.254 4.215 4.470 -0.001 0.000 0.298 305 S C 0.952 175.570 174.600 0.030 0.000 1.294 305 S CA 1.447 59.675 58.200 0.046 0.000 1.091 305 S CB -1.774 61.421 63.200 -0.007 0.000 1.271 305 S HN 0.817 nan 8.310 nan 0.000 0.693 306 A N -0.668 122.188 122.820 0.060 0.000 2.503 306 A HA 0.444 4.763 4.320 -0.001 0.000 0.263 306 A C 0.651 178.251 177.584 0.026 0.000 1.258 306 A CA 0.350 52.400 52.037 0.021 0.000 0.936 306 A CB -0.007 19.000 19.000 0.012 0.000 1.070 306 A HN 0.842 nan 8.150 nan 0.000 0.522 307 C N 0.679 120.027 119.300 0.080 0.000 2.624 307 C HA 0.471 4.931 4.460 -0.001 0.000 0.397 307 C C 1.827 176.856 174.990 0.064 0.000 1.331 307 C CA 1.219 60.318 59.018 0.135 0.000 1.716 307 C CB -1.546 26.391 27.740 0.327 0.000 2.452 307 C HN 1.638 nan 8.230 nan 0.000 0.586 308 G N 5.171 113.986 108.800 0.025 0.000 2.199 308 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.254 308 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.254 308 G C 0.193 175.012 174.900 -0.135 0.000 0.982 308 G CA 0.562 45.607 45.100 -0.091 0.000 0.632 308 G HN 0.755 nan 8.290 nan 0.000 0.529 309 K N 0.121 120.475 120.400 -0.076 0.000 2.168 309 K HA 0.571 4.890 4.320 -0.001 0.000 0.239 309 K C 0.488 177.049 176.600 -0.064 0.000 0.999 309 K CA -0.046 56.196 56.287 -0.075 0.000 0.900 309 K CB 0.979 33.442 32.500 -0.061 0.000 1.111 309 K HN 0.064 nan 8.250 nan 0.000 0.452 310 T N 1.161 115.686 114.554 -0.048 0.000 2.908 310 T HA 0.043 4.392 4.350 -0.001 0.000 0.301 310 T C -0.291 174.344 174.700 -0.108 0.000 1.019 310 T CA 0.211 62.280 62.100 -0.051 0.000 1.152 310 T CB -0.125 68.748 68.868 0.009 0.000 0.966 310 T HN 0.426 nan 8.240 nan 0.000 0.540 311 N N 2.632 121.253 118.700 -0.132 0.000 3.387 311 N HA 0.395 5.135 4.740 -0.001 0.000 0.322 311 N C 1.172 176.582 175.510 -0.167 0.000 1.588 311 N CA -0.773 52.154 53.050 -0.205 0.000 0.778 311 N CB 0.677 39.033 38.487 -0.218 0.000 1.883 311 N HN 0.436 nan 8.380 nan 0.000 0.628 312 L N 0.978 122.106 121.223 -0.157 0.000 2.131 312 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 312 L C 2.168 179.023 176.870 -0.025 0.000 1.092 312 L CA 1.454 56.254 54.840 -0.067 0.000 0.759 312 L CB -0.427 41.670 42.059 0.063 0.000 0.903 312 L HN 0.599 nan 8.230 nan 0.000 0.435 313 A N -0.582 122.234 122.820 -0.006 0.000 2.019 313 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 313 A C 2.055 179.630 177.584 -0.015 0.000 1.164 313 A CA 1.463 53.518 52.037 0.030 0.000 0.644 313 A CB -0.268 18.767 19.000 0.060 0.000 0.805 313 A HN 0.438 nan 8.150 nan 0.000 0.449 314 M N -1.116 118.442 119.600 -0.071 0.000 2.484 314 M HA 0.284 4.764 4.480 -0.001 0.000 0.307 314 M C 0.410 176.656 176.300 -0.090 0.000 1.149 314 M CA -0.082 55.158 55.300 -0.101 0.000 0.972 314 M CB 0.238 32.740 32.600 -0.164 0.000 1.400 314 M HN 0.412 nan 8.290 nan 0.000 0.508 315 M N 1.704 121.256 119.600 -0.079 0.000 2.248 315 M HA 0.063 4.542 4.480 -0.001 0.000 0.345 315 M C -0.537 175.708 176.300 -0.092 0.000 1.243 315 M CA 1.109 56.357 55.300 -0.087 0.000 1.090 315 M CB 0.683 33.223 32.600 -0.100 0.000 1.683 315 M HN 0.014 nan 8.290 nan 0.000 0.450 316 T N 7.498 121.993 114.554 -0.098 0.000 2.762 316 T HA 0.404 4.753 4.350 -0.001 0.000 0.303 316 T C -2.305 172.321 174.700 -0.122 0.000 0.977 316 T CA -1.057 60.979 62.100 -0.106 0.000 0.961 316 T CB 0.299 69.103 68.868 -0.107 0.000 0.944 316 T HN 0.499 nan 8.240 nan 0.000 0.481 317 P HA 0.198 nan 4.420 nan 0.000 0.268 317 P C 0.098 177.313 177.300 -0.141 0.000 1.205 317 P CA -0.244 62.788 63.100 -0.113 0.000 0.771 317 P CB 0.791 32.467 31.700 -0.040 0.000 0.858 318 S N 1.273 116.844 115.700 -0.216 0.000 2.577 318 S HA 0.183 4.652 4.470 -0.001 0.000 0.219 318 S C 0.675 175.210 174.600 -0.108 0.000 0.962 318 S CA -0.146 57.897 58.200 -0.261 0.000 0.921 318 S CB -0.339 62.458 63.200 -0.672 0.000 0.789 318 S HN 0.366 nan 8.310 nan 0.000 0.497 319 L N 3.117 124.311 121.223 -0.049 0.000 2.272 319 L HA 0.404 4.743 4.340 -0.001 0.000 0.289 319 L C -2.575 174.395 176.870 0.167 0.000 1.032 319 L CA -2.445 52.426 54.840 0.053 0.000 0.810 319 L CB 1.341 43.372 42.059 -0.047 0.000 1.205 319 L HN -0.094 nan 8.230 nan 0.000 0.422 320 P HA 0.101 nan 4.420 nan 0.000 0.265 320 P C 0.748 178.123 177.300 0.126 0.000 1.193 320 P CA 0.551 63.710 63.100 0.099 0.000 0.765 320 P CB 0.878 32.614 31.700 0.060 0.000 0.823 321 G N 0.599 109.421 108.800 0.037 0.000 2.299 321 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.237 321 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.237 321 G C -0.351 174.454 174.900 -0.157 0.000 1.027 321 G CA -0.564 44.488 45.100 -0.081 0.000 0.619 321 G HN 0.404 nan 8.290 nan 0.000 0.513 322 W N 1.910 123.153 121.300 -0.094 0.000 2.218 322 W HA 0.739 5.398 4.660 -0.001 0.000 0.326 322 W C 1.022 177.476 176.519 -0.108 0.000 1.276 322 W CA -0.306 56.967 57.345 -0.120 0.000 1.210 322 W CB 0.539 29.924 29.460 -0.125 0.000 1.143 322 W HN 0.158 nan 8.180 nan 0.000 0.563 323 R N 3.109 123.669 120.500 0.100 0.000 2.740 323 R HA 0.638 4.977 4.340 -0.001 0.000 0.282 323 R C -0.969 175.337 176.300 0.009 0.000 0.969 323 R CA -1.104 54.995 56.100 -0.002 0.000 0.918 323 R CB 1.962 32.235 30.300 -0.045 0.000 1.175 323 R HN 0.237 nan 8.270 nan 0.000 0.464 324 I N 2.322 122.830 120.570 -0.103 0.000 2.509 324 I HA 0.355 4.524 4.170 -0.001 0.000 0.293 324 I C -0.473 175.525 176.117 -0.199 0.000 1.020 324 I CA -0.713 60.553 61.300 -0.057 0.000 1.088 324 I CB 1.803 39.785 38.000 -0.030 0.000 1.267 324 I HN 0.644 nan 8.210 nan 0.000 0.430 325 H N 2.765 121.866 119.070 0.052 0.000 2.622 325 H HA 0.394 4.949 4.556 -0.001 0.000 0.363 325 H C -0.686 174.706 175.328 0.107 0.000 1.151 325 H CA -0.299 55.793 56.048 0.074 0.000 1.184 325 H CB 2.283 32.105 29.762 0.100 0.000 1.643 325 H HN 0.646 nan 8.280 nan 0.000 0.531 326 C N 3.796 123.230 119.300 0.223 0.000 2.307 326 C HA 0.350 4.809 4.460 -0.001 0.000 0.340 326 C C 1.328 176.469 174.990 0.251 0.000 1.275 326 C CA -0.227 58.905 59.018 0.190 0.000 1.811 326 C CB -1.061 26.745 27.740 0.110 0.000 2.372 326 C HN 0.752 nan 8.230 nan 0.000 0.531 327 V N 5.385 125.474 119.914 0.292 0.000 2.492 327 V HA 0.380 4.499 4.120 -0.001 0.000 0.241 327 V C 1.433 177.700 176.094 0.289 0.000 1.041 327 V CA 1.445 63.943 62.300 0.330 0.000 1.057 327 V CB -0.345 31.665 31.823 0.312 0.000 0.711 327 V HN 1.053 nan 8.190 nan 0.000 0.468 328 G N -0.042 108.910 108.800 0.253 0.000 2.677 328 G HA2 0.496 4.455 3.960 -0.001 0.000 0.291 328 G HA3 0.496 4.455 3.960 -0.001 0.000 0.291 328 G C -1.240 173.819 174.900 0.266 0.000 1.435 328 G CA 0.390 45.638 45.100 0.246 0.000 0.826 328 G HN 0.166 nan 8.290 nan 0.000 0.491 329 D N -1.312 119.281 120.400 0.321 0.000 2.535 329 D HA 0.233 4.872 4.640 -0.001 0.000 0.229 329 D C 0.244 176.661 176.300 0.195 0.000 1.238 329 D CA -0.015 54.125 54.000 0.233 0.000 0.824 329 D CB 1.279 42.179 40.800 0.166 0.000 1.045 329 D HN 0.328 nan 8.370 nan 0.000 0.500 330 D N -0.813 119.705 120.400 0.198 0.000 2.315 330 D HA 0.168 4.807 4.640 -0.001 0.000 0.272 330 D C -0.411 176.037 176.300 0.246 0.000 1.238 330 D CA 0.181 54.303 54.000 0.203 0.000 1.160 330 D CB 0.829 41.746 40.800 0.195 0.000 1.780 330 D HN -0.031 nan 8.370 nan 0.000 0.484 331 I N 1.764 122.437 120.570 0.172 0.000 2.509 331 I HA 0.719 4.889 4.170 -0.001 0.000 0.293 331 I C -0.566 175.645 176.117 0.157 0.000 1.020 331 I CA -1.112 60.290 61.300 0.171 0.000 1.088 331 I CB 1.202 39.225 38.000 0.040 0.000 1.267 331 I HN 0.123 nan 8.210 nan 0.000 0.430 332 A N 6.019 129.013 122.820 0.290 0.000 2.343 332 A HA 0.725 5.045 4.320 -0.001 0.000 0.308 332 A C -1.892 176.033 177.584 0.568 0.000 1.092 332 A CA -0.448 51.778 52.037 0.314 0.000 0.751 332 A CB 0.959 20.148 19.000 0.315 0.000 1.203 332 A HN 0.576 nan 8.150 nan 0.000 0.452 333 W N 2.189 123.615 121.300 0.211 0.000 2.475 333 W HA 0.725 5.385 4.660 -0.001 0.000 0.317 333 W C -0.296 176.336 176.519 0.187 0.000 1.046 333 W CA -1.096 56.424 57.345 0.292 0.000 1.215 333 W CB 1.272 30.865 29.460 0.221 0.000 1.335 333 W HN 0.528 nan 8.180 nan 0.000 0.471 334 M N 3.399 123.261 119.600 0.437 0.000 2.393 334 M HA 0.465 4.944 4.480 -0.001 0.000 0.299 334 M C -0.576 175.797 176.300 0.121 0.000 1.103 334 M CA -0.864 54.547 55.300 0.186 0.000 0.910 334 M CB 3.280 35.945 32.600 0.107 0.000 1.659 334 M HN 0.272 nan 8.290 nan 0.000 0.445 335 K N 1.944 122.332 120.400 -0.020 0.000 2.525 335 K HA 0.534 4.853 4.320 -0.001 0.000 0.254 335 K C -1.726 174.811 176.600 -0.105 0.000 0.934 335 K CA -0.577 55.698 56.287 -0.020 0.000 0.802 335 K CB 1.990 34.496 32.500 0.010 0.000 1.295 335 K HN 0.482 nan 8.250 nan 0.000 0.433 336 F N 3.245 123.209 119.950 0.023 0.000 2.578 336 F HA 0.003 4.529 4.527 -0.001 0.000 0.376 336 F C 1.179 176.973 175.800 -0.009 0.000 1.085 336 F CA 0.376 58.373 58.000 -0.006 0.000 1.260 336 F CB 0.359 39.338 39.000 -0.036 0.000 1.095 336 F HN 0.593 nan 8.300 nan 0.000 0.573 337 D N 1.035 121.549 120.400 0.190 0.000 2.447 337 D HA 0.054 4.693 4.640 -0.001 0.000 0.265 337 D C 0.555 176.906 176.300 0.086 0.000 1.250 337 D CA -0.402 53.657 54.000 0.098 0.000 1.046 337 D CB 0.379 41.213 40.800 0.056 0.000 1.095 337 D HN 0.366 nan 8.370 nan 0.000 0.555 338 D N -0.862 119.564 120.400 0.042 0.000 2.263 338 D HA -0.109 4.531 4.640 -0.001 0.000 0.208 338 D C 0.931 177.238 176.300 0.013 0.000 0.971 338 D CA 0.915 54.928 54.000 0.020 0.000 0.867 338 D CB -0.029 40.777 40.800 0.009 0.000 0.929 338 D HN 0.587 nan 8.370 nan 0.000 0.492 339 E N -0.621 119.595 120.200 0.027 0.000 2.479 339 E HA 0.254 4.603 4.350 -0.001 0.000 0.193 339 E C 1.154 177.768 176.600 0.023 0.000 1.049 339 E CA 0.231 56.643 56.400 0.019 0.000 0.870 339 E CB 0.583 30.299 29.700 0.026 0.000 0.944 339 E HN 0.209 nan 8.360 nan 0.000 0.492 340 G N 2.226 111.052 108.800 0.042 0.000 2.157 340 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.248 340 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.248 340 G C 0.123 175.164 174.900 0.234 0.000 0.979 340 G CA -0.224 44.884 45.100 0.014 0.000 0.650 340 G HN 0.139 nan 8.290 nan 0.000 0.529 341 R N -0.433 120.214 120.500 0.244 0.000 2.357 341 R HA 0.505 4.845 4.340 -0.001 0.000 0.296 341 R C -0.076 176.363 176.300 0.232 0.000 1.052 341 R CA -0.865 55.379 56.100 0.240 0.000 0.988 341 R CB 1.340 31.712 30.300 0.120 0.000 1.025 341 R HN 0.170 nan 8.270 nan 0.000 0.469 342 L N 4.484 125.753 121.223 0.076 0.000 2.407 342 L HA 0.121 4.460 4.340 -0.001 0.000 0.282 342 L C -0.151 176.645 176.870 -0.124 0.000 1.110 342 L CA 0.398 55.041 54.840 -0.329 0.000 0.863 342 L CB 0.089 41.864 42.059 -0.474 0.000 1.207 342 L HN 0.345 nan 8.230 nan 0.000 0.454 343 R N 4.676 125.113 120.500 -0.106 0.000 2.312 343 R HA 0.690 5.029 4.340 -0.001 0.000 0.311 343 R C -0.587 175.690 176.300 -0.039 0.000 1.004 343 R CA -0.407 55.658 56.100 -0.059 0.000 0.902 343 R CB 1.397 31.669 30.300 -0.046 0.000 1.073 343 R HN 0.713 nan 8.270 nan 0.000 0.457 344 A N 4.353 127.157 122.820 -0.026 0.000 2.350 344 A HA 0.682 5.002 4.320 -0.001 0.000 0.324 344 A C 0.027 177.617 177.584 0.011 0.000 1.118 344 A CA -0.868 51.191 52.037 0.037 0.000 0.783 344 A CB 0.851 19.897 19.000 0.077 0.000 1.236 344 A HN 0.794 nan 8.150 nan 0.000 0.457 345 I N -0.482 120.121 120.570 0.055 0.000 2.693 345 I HA 0.584 4.753 4.170 -0.001 0.000 0.303 345 I C -0.314 175.803 176.117 0.000 0.000 1.025 345 I CA -1.004 60.297 61.300 0.002 0.000 1.086 345 I CB 1.979 39.953 38.000 -0.044 0.000 1.268 345 I HN 0.502 nan 8.210 nan 0.000 0.440 346 N N 5.700 124.393 118.700 -0.012 0.000 2.406 346 N HA 0.342 5.081 4.740 -0.001 0.000 0.251 346 N C -1.882 173.512 175.510 -0.194 0.000 1.069 346 N CA -2.531 50.498 53.050 -0.035 0.000 0.947 346 N CB 0.915 39.472 38.487 0.116 0.000 1.111 346 N HN 0.469 nan 8.380 nan 0.000 0.497 347 P HA 0.084 nan 4.420 nan 0.000 0.253 347 P C -0.615 176.430 177.300 -0.425 0.000 1.260 347 P CA 0.527 63.225 63.100 -0.670 0.000 0.800 347 P CB 0.380 31.127 31.700 -1.590 0.000 1.162 348 E N -0.225 119.826 120.200 -0.249 0.000 2.232 348 E HA 0.383 4.732 4.350 -0.001 0.000 0.264 348 E C 0.357 176.925 176.600 -0.053 0.000 0.973 348 E CA -0.807 55.492 56.400 -0.168 0.000 0.849 348 E CB 1.851 31.452 29.700 -0.165 0.000 1.198 348 E HN -0.141 nan 8.360 nan 0.000 0.407 349 R N 0.003 120.462 120.500 -0.068 0.000 2.476 349 R HA 0.227 4.566 4.340 -0.001 0.000 0.276 349 R C -0.107 176.109 176.300 -0.140 0.000 0.941 349 R CA 0.083 56.209 56.100 0.044 0.000 1.088 349 R CB 0.835 31.153 30.300 0.030 0.000 1.216 349 R HN 0.538 nan 8.270 nan 0.000 0.533 350 G N -0.553 108.071 108.800 -0.292 0.000 2.708 350 G HA2 0.472 4.431 3.960 -0.001 0.000 0.289 350 G HA3 0.472 4.431 3.960 -0.001 0.000 0.289 350 G C -1.620 172.989 174.900 -0.485 0.000 1.416 350 G CA -0.606 44.272 45.100 -0.370 0.000 0.829 350 G HN -0.001 nan 8.290 nan 0.000 0.480 351 F N -0.024 119.951 119.950 0.042 0.000 2.458 351 F HA 0.575 5.101 4.527 -0.001 0.000 0.336 351 F C -0.572 175.309 175.800 0.134 0.000 1.114 351 F CA -1.075 56.983 58.000 0.096 0.000 0.987 351 F CB 2.175 41.271 39.000 0.160 0.000 1.130 351 F HN 0.275 nan 8.300 nan 0.000 0.458 352 F N 3.087 123.065 119.950 0.047 0.000 2.453 352 F HA 0.682 5.208 4.527 -0.001 0.000 0.358 352 F C 0.109 175.704 175.800 -0.341 0.000 1.129 352 F CA -0.982 56.926 58.000 -0.153 0.000 1.200 352 F CB 0.206 39.132 39.000 -0.122 0.000 1.431 352 F HN 0.447 nan 8.300 nan 0.000 0.503 353 G N 2.661 110.810 108.800 -1.085 0.000 2.389 353 G HA2 0.494 4.453 3.960 -0.001 0.000 0.328 353 G HA3 0.494 4.453 3.960 -0.001 0.000 0.328 353 G C -1.077 172.975 174.900 -1.414 0.000 1.133 353 G CA -0.715 43.594 45.100 -1.317 0.000 0.891 353 G HN 0.256 nan 8.290 nan 0.000 0.485 354 V N 1.864 121.319 119.914 -0.765 0.000 2.485 354 V HA 0.244 4.363 4.120 -0.001 0.000 0.287 354 V C 1.457 177.231 176.094 -0.534 0.000 1.022 354 V CA 0.637 62.606 62.300 -0.553 0.000 1.067 354 V CB 0.672 32.308 31.823 -0.312 0.000 0.967 354 V HN 0.981 nan 8.190 nan 0.000 0.479 355 A N 7.813 130.287 122.820 -0.577 0.000 1.855 355 A HA 0.167 4.486 4.320 -0.001 0.000 0.213 355 A C -1.302 175.638 177.584 -1.073 0.000 1.195 355 A CA 0.590 52.133 52.037 -0.824 0.000 0.610 355 A CB -1.073 17.354 19.000 -0.955 0.000 0.837 355 A HN 0.715 nan 8.150 nan 0.000 0.444 356 P HA 0.273 nan 4.420 nan 0.000 0.265 356 P C 0.800 177.992 177.300 -0.180 0.000 1.193 356 P CA 1.850 64.743 63.100 -0.344 0.000 0.765 356 P CB 0.546 32.139 31.700 -0.178 0.000 0.823 357 G N 1.540 110.359 108.800 0.032 0.000 2.217 357 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.246 357 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.246 357 G C 0.250 175.223 174.900 0.121 0.000 0.990 357 G CA -0.006 45.141 45.100 0.077 0.000 0.627 357 G HN 0.585 nan 8.290 nan 0.000 0.522 358 T N 1.848 116.478 114.554 0.126 0.000 2.814 358 T HA 0.576 4.925 4.350 -0.001 0.000 0.297 358 T C 0.389 175.306 174.700 0.361 0.000 0.956 358 T CA 0.820 63.038 62.100 0.197 0.000 1.123 358 T CB 1.377 70.303 68.868 0.096 0.000 0.902 358 T HN 1.492 nan 8.240 nan 0.000 0.528 359 S N 1.416 117.220 115.700 0.172 0.000 2.625 359 S HA 0.418 4.888 4.470 -0.001 0.000 0.271 359 S C 1.004 175.619 174.600 0.026 0.000 1.161 359 S CA -0.879 57.386 58.200 0.108 0.000 0.820 359 S CB 1.385 64.626 63.200 0.069 0.000 1.137 359 S HN 0.308 nan 8.310 nan 0.000 0.470 360 S N 0.447 116.144 115.700 -0.004 0.000 2.399 360 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 360 S C 1.808 176.368 174.600 -0.067 0.000 1.022 360 S CA 1.350 59.528 58.200 -0.037 0.000 0.983 360 S CB -0.505 62.673 63.200 -0.037 0.000 0.803 360 S HN 0.691 nan 8.310 nan 0.000 0.480 361 R N 0.830 121.285 120.500 -0.075 0.000 2.075 361 R HA -0.107 4.232 4.340 -0.001 0.000 0.232 361 R C 2.463 178.642 176.300 -0.202 0.000 1.126 361 R CA 1.886 57.906 56.100 -0.134 0.000 0.963 361 R CB -0.433 29.790 30.300 -0.128 0.000 0.858 361 R HN 0.589 nan 8.270 nan 0.000 0.435 362 T N -2.695 111.774 114.554 -0.140 0.000 2.976 362 T HA 0.033 4.382 4.350 -0.001 0.000 0.257 362 T C 0.791 175.475 174.700 -0.026 0.000 1.051 362 T CA 0.401 62.426 62.100 -0.125 0.000 1.141 362 T CB 0.179 69.077 68.868 0.050 0.000 0.881 362 T HN 0.070 nan 8.240 nan 0.000 0.461 363 N N 1.499 120.180 118.700 -0.031 0.000 2.732 363 N HA 0.291 5.030 4.740 -0.001 0.000 0.235 363 N C -2.494 172.976 175.510 -0.066 0.000 1.466 363 N CA -1.734 51.292 53.050 -0.040 0.000 0.751 363 N CB 1.685 40.157 38.487 -0.026 0.000 1.317 363 N HN 0.027 nan 8.380 nan 0.000 0.525 364 P HA -0.089 nan 4.420 nan 0.000 0.218 364 P C 0.789 178.035 177.300 -0.091 0.000 1.149 364 P CA 0.996 64.051 63.100 -0.076 0.000 0.817 364 P CB 0.608 32.263 31.700 -0.076 0.000 0.785 365 N N 0.407 119.045 118.700 -0.104 0.000 2.188 365 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 365 N C 1.951 177.358 175.510 -0.172 0.000 1.018 365 N CA 1.521 54.496 53.050 -0.125 0.000 0.858 365 N CB -0.783 37.628 38.487 -0.127 0.000 0.989 365 N HN 0.122 nan 8.380 nan 0.000 0.426 366 A N 1.606 124.307 122.820 -0.198 0.000 1.902 366 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 366 A C 2.258 179.667 177.584 -0.292 0.000 1.181 366 A CA 1.132 52.995 52.037 -0.291 0.000 0.623 366 A CB -0.319 18.529 19.000 -0.254 0.000 0.818 366 A HN 0.091 nan 8.150 nan 0.000 0.443 367 M N -0.268 119.228 119.600 -0.173 0.000 2.108 367 M HA -0.160 4.320 4.480 -0.001 0.000 0.261 367 M C 2.508 178.736 176.300 -0.120 0.000 1.066 367 M CA 1.671 56.900 55.300 -0.118 0.000 1.107 367 M CB -1.528 31.038 32.600 -0.056 0.000 1.356 367 M HN 0.497 nan 8.290 nan 0.000 0.406 368 A N -0.130 122.625 122.820 -0.109 0.000 1.902 368 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 368 A C 2.299 179.825 177.584 -0.097 0.000 1.181 368 A CA 2.241 54.227 52.037 -0.085 0.000 0.623 368 A CB -1.126 17.833 19.000 -0.069 0.000 0.818 368 A HN 0.503 nan 8.150 nan 0.000 0.443 369 T N 0.683 115.153 114.554 -0.140 0.000 2.788 369 T HA -0.107 4.242 4.350 -0.001 0.000 0.268 369 T C 1.580 176.193 174.700 -0.145 0.000 1.044 369 T CA 1.581 63.607 62.100 -0.124 0.000 1.139 369 T CB -0.491 68.283 68.868 -0.157 0.000 0.867 369 T HN 0.752 nan 8.240 nan 0.000 0.454 370 I N -1.198 119.233 120.570 -0.231 0.000 3.928 370 I HA 0.549 4.719 4.170 -0.001 0.000 0.335 370 I C 2.076 178.134 176.117 -0.098 0.000 1.325 370 I CA -0.214 60.944 61.300 -0.237 0.000 1.107 370 I CB -0.212 37.536 38.000 -0.420 0.000 1.014 370 I HN 0.012 nan 8.210 nan 0.000 0.400 371 A N 2.460 125.224 122.820 -0.092 0.000 2.119 371 A HA 0.081 4.400 4.320 -0.001 0.000 0.217 371 A C 1.208 178.776 177.584 -0.027 0.000 1.153 371 A CA 0.557 52.541 52.037 -0.089 0.000 0.692 371 A CB -0.138 18.834 19.000 -0.046 0.000 0.799 371 A HN 0.718 nan 8.150 nan 0.000 0.458 372 R N -2.889 117.615 120.500 0.007 0.000 2.710 372 R HA 0.359 4.698 4.340 -0.001 0.000 0.270 372 R C -1.064 175.276 176.300 0.067 0.000 1.021 372 R CA -0.606 55.532 56.100 0.063 0.000 0.889 372 R CB 0.342 30.678 30.300 0.061 0.000 1.243 372 R HN 0.004 nan 8.270 nan 0.000 0.464 373 N N -0.228 118.543 118.700 0.118 0.000 2.710 373 N HA -0.144 4.595 4.740 -0.001 0.000 0.249 373 N C -1.168 174.401 175.510 0.099 0.000 1.059 373 N CA 1.741 54.872 53.050 0.136 0.000 0.720 373 N CB -1.017 37.526 38.487 0.093 0.000 0.983 373 N HN 0.720 nan 8.380 nan 0.000 0.544 374 T N 0.893 115.501 114.554 0.090 0.000 2.829 374 T HA 0.561 4.910 4.350 -0.001 0.000 0.280 374 T C 0.390 175.079 174.700 -0.017 0.000 0.999 374 T CA -0.587 61.469 62.100 -0.074 0.000 0.983 374 T CB 1.830 70.515 68.868 -0.304 0.000 0.968 374 T HN -0.033 nan 8.240 nan 0.000 0.446 375 I N 3.510 124.044 120.570 -0.059 0.000 2.321 375 I HA 0.419 4.588 4.170 -0.001 0.000 0.291 375 I C -0.472 175.626 176.117 -0.032 0.000 0.998 375 I CA -1.104 60.256 61.300 0.099 0.000 1.227 375 I CB 0.301 38.360 38.000 0.098 0.000 1.368 375 I HN 0.556 nan 8.210 nan 0.000 0.466 376 F N 3.819 123.942 119.950 0.288 0.000 2.422 376 F HA 0.486 5.013 4.527 -0.001 0.000 0.333 376 F C 0.714 176.657 175.800 0.238 0.000 1.095 376 F CA -0.355 57.792 58.000 0.246 0.000 1.038 376 F CB 1.721 40.882 39.000 0.268 0.000 1.156 376 F HN 0.270 nan 8.300 nan 0.000 0.483 377 T N 3.090 117.842 114.554 0.330 0.000 2.840 377 T HA 0.247 4.597 4.350 -0.001 0.000 0.287 377 T C -0.336 174.441 174.700 0.129 0.000 0.991 377 T CA -0.786 61.443 62.100 0.214 0.000 0.964 377 T CB 0.776 69.733 68.868 0.149 0.000 0.954 377 T HN 0.616 nan 8.240 nan 0.000 0.438 378 N N 0.331 119.109 118.700 0.130 0.000 2.776 378 N HA -0.137 4.602 4.740 -0.001 0.000 0.250 378 N C 0.144 175.726 175.510 0.119 0.000 1.112 378 N CA 1.070 54.188 53.050 0.113 0.000 0.733 378 N CB -1.803 36.611 38.487 -0.123 0.000 1.097 378 N HN 0.684 nan 8.380 nan 0.000 0.558 379 V N -2.737 117.285 119.914 0.180 0.000 3.262 379 V HA 0.922 5.041 4.120 -0.001 0.000 0.313 379 V C 1.401 177.591 176.094 0.160 0.000 1.070 379 V CA -0.130 62.282 62.300 0.187 0.000 1.049 379 V CB 1.134 33.147 31.823 0.318 0.000 1.157 379 V HN 0.155 nan 8.190 nan 0.000 0.454 380 G N 0.338 109.203 108.800 0.108 0.000 2.569 380 G HA2 0.495 4.454 3.960 -0.001 0.000 0.249 380 G HA3 0.495 4.454 3.960 -0.001 0.000 0.249 380 G C -0.993 173.966 174.900 0.098 0.000 1.216 380 G CA -0.374 44.776 45.100 0.083 0.000 0.845 380 G HN 0.989 nan 8.290 nan 0.000 0.568 381 L N 0.431 121.707 121.223 0.089 0.000 2.341 381 L HA 0.597 4.936 4.340 -0.001 0.000 0.278 381 L C 0.238 177.152 176.870 0.074 0.000 1.005 381 L CA -0.815 54.054 54.840 0.049 0.000 0.818 381 L CB 1.582 43.625 42.059 -0.027 0.000 1.259 381 L HN 0.593 nan 8.230 nan 0.000 0.418 382 R N 1.891 122.407 120.500 0.026 0.000 2.643 382 R HA 0.397 4.736 4.340 -0.001 0.000 0.272 382 R C 1.096 177.325 176.300 -0.118 0.000 0.995 382 R CA 0.109 56.166 56.100 -0.072 0.000 1.032 382 R CB 1.279 31.527 30.300 -0.087 0.000 1.126 382 R HN 0.803 nan 8.270 nan 0.000 0.505 383 S N -0.213 115.378 115.700 -0.182 0.000 2.507 383 S HA -0.134 4.335 4.470 -0.001 0.000 0.235 383 S C 0.929 175.453 174.600 -0.125 0.000 0.988 383 S CA 1.248 59.366 58.200 -0.137 0.000 0.944 383 S CB -0.204 62.903 63.200 -0.154 0.000 0.762 383 S HN 0.757 nan 8.310 nan 0.000 0.526 384 D N 0.139 120.450 120.400 -0.147 0.000 2.342 384 D HA 0.264 4.903 4.640 -0.001 0.000 0.221 384 D C 1.269 177.464 176.300 -0.174 0.000 1.101 384 D CA 0.371 54.284 54.000 -0.145 0.000 0.837 384 D CB -0.535 40.178 40.800 -0.145 0.000 0.938 384 D HN 0.511 nan 8.370 nan 0.000 0.508 385 G N -0.768 107.937 108.800 -0.159 0.000 2.143 385 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.249 385 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.249 385 G C 0.574 175.298 174.900 -0.293 0.000 0.981 385 G CA 0.042 45.030 45.100 -0.186 0.000 0.665 385 G HN 0.805 nan 8.290 nan 0.000 0.528 386 G N -1.433 107.207 108.800 -0.265 0.000 2.642 386 G HA2 0.889 4.848 3.960 -0.001 0.000 0.291 386 G HA3 0.889 4.848 3.960 -0.001 0.000 0.291 386 G C 0.227 175.127 174.900 0.001 0.000 1.345 386 G CA 0.237 45.197 45.100 -0.233 0.000 1.043 386 G HN 1.496 nan 8.290 nan 0.000 0.528 387 V N -2.989 116.961 119.914 0.060 0.000 2.994 387 V HA 0.831 4.950 4.120 -0.001 0.000 0.318 387 V C -1.066 174.955 176.094 -0.123 0.000 1.085 387 V CA -1.206 61.039 62.300 -0.093 0.000 0.998 387 V CB 1.653 33.252 31.823 -0.374 0.000 1.063 387 V HN 0.751 nan 8.190 nan 0.000 0.447 388 Y N 2.378 122.535 120.300 -0.238 0.000 2.504 388 Y HA 0.788 5.338 4.550 -0.001 0.000 0.344 388 Y C -1.446 174.323 175.900 -0.219 0.000 1.023 388 Y CA -1.315 56.572 58.100 -0.354 0.000 1.020 388 Y CB 2.134 40.470 38.460 -0.207 0.000 1.282 388 Y HN 1.077 nan 8.280 nan 0.000 0.454 389 W N 3.173 123.767 121.300 -1.177 0.000 3.137 389 W HA 0.494 5.153 4.660 -0.001 0.000 0.324 389 W C -1.517 174.348 176.519 -1.090 0.000 1.253 389 W CA -1.399 55.388 57.345 -0.931 0.000 1.183 389 W CB 0.331 29.539 29.460 -0.421 0.000 1.424 389 W HN 0.598 nan 8.180 nan 0.000 0.566 390 D N 0.645 120.860 120.400 -0.309 0.000 2.531 390 D HA 0.343 4.982 4.640 -0.001 0.000 0.239 390 D C 1.333 177.666 176.300 0.054 0.000 1.144 390 D CA 3.172 57.116 54.000 -0.094 0.000 0.869 390 D CB 0.598 41.415 40.800 0.029 0.000 1.160 390 D HN 1.182 nan 8.370 nan 0.000 0.484 391 G N 2.632 111.458 108.800 0.043 0.000 2.234 391 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.235 391 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.235 391 G C 0.254 175.186 174.900 0.054 0.000 0.997 391 G CA 0.048 45.206 45.100 0.097 0.000 0.623 391 G HN 0.652 nan 8.290 nan 0.000 0.514 392 L N 2.408 123.540 121.223 -0.151 0.000 2.490 392 L HA 0.522 4.861 4.340 -0.001 0.000 0.274 392 L C 0.912 177.732 176.870 -0.084 0.000 1.201 392 L CA 0.844 55.506 54.840 -0.297 0.000 0.869 392 L CB 0.780 42.243 42.059 -0.992 0.000 1.123 392 L HN 0.340 nan 8.230 nan 0.000 0.484 393 D N 2.303 122.672 120.400 -0.052 0.000 2.501 393 D HA 0.028 4.667 4.640 -0.001 0.000 0.224 393 D C 0.216 176.508 176.300 -0.014 0.000 1.202 393 D CA -0.303 53.692 54.000 -0.009 0.000 0.829 393 D CB -0.254 40.543 40.800 -0.005 0.000 1.023 393 D HN 0.631 nan 8.370 nan 0.000 0.499 394 E N 1.821 121.998 120.200 -0.038 0.000 2.417 394 E HA 0.108 4.457 4.350 -0.001 0.000 0.261 394 E C -1.957 174.647 176.600 0.007 0.000 1.000 394 E CA -1.442 54.947 56.400 -0.018 0.000 0.919 394 E CB 0.560 30.244 29.700 -0.027 0.000 0.955 394 E HN -0.003 nan 8.360 nan 0.000 0.455 395 P HA 0.008 nan 4.420 nan 0.000 0.264 395 P C -1.092 176.209 177.300 0.002 0.000 1.193 395 P CA 0.144 63.247 63.100 0.004 0.000 0.763 395 P CB 0.741 32.439 31.700 -0.003 0.000 0.810 396 T N -0.785 113.770 114.554 0.002 0.000 2.900 396 T HA 0.426 4.775 4.350 -0.001 0.000 0.295 396 T C -0.202 174.482 174.700 -0.028 0.000 1.044 396 T CA -1.082 61.007 62.100 -0.018 0.000 0.995 396 T CB 1.421 70.280 68.868 -0.015 0.000 1.072 396 T HN 0.223 nan 8.240 nan 0.000 0.473 397 E N 1.914 122.086 120.200 -0.046 0.000 2.408 397 E HA 0.262 4.611 4.350 -0.001 0.000 0.259 397 E C -2.180 174.391 176.600 -0.049 0.000 1.110 397 E CA -1.491 54.882 56.400 -0.045 0.000 0.929 397 E CB 0.187 29.856 29.700 -0.052 0.000 0.971 397 E HN 0.446 nan 8.360 nan 0.000 0.438 398 P HA 0.032 nan 4.420 nan 0.000 0.269 398 P C 0.351 177.618 177.300 -0.055 0.000 1.209 398 P CA 0.563 63.639 63.100 -0.039 0.000 0.776 398 P CB 0.540 32.221 31.700 -0.031 0.000 0.876 399 G N 0.511 109.276 108.800 -0.059 0.000 2.176 399 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.253 399 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.253 399 G C 0.144 174.970 174.900 -0.124 0.000 0.979 399 G CA -0.090 44.965 45.100 -0.074 0.000 0.641 399 G HN 0.548 nan 8.290 nan 0.000 0.530 400 V N 2.419 122.236 119.914 -0.161 0.000 2.599 400 V HA 0.466 4.585 4.120 -0.001 0.000 0.300 400 V C 1.224 177.041 176.094 -0.462 0.000 1.034 400 V CA 1.026 63.159 62.300 -0.277 0.000 1.115 400 V CB 0.863 32.518 31.823 -0.281 0.000 0.934 400 V HN 0.809 nan 8.190 nan 0.000 0.485 401 T N 2.620 116.883 114.554 -0.484 0.000 2.927 401 T HA 0.771 5.120 4.350 -0.001 0.000 0.286 401 T C -1.056 173.265 174.700 -0.632 0.000 1.040 401 T CA -0.756 61.045 62.100 -0.497 0.000 1.010 401 T CB 1.588 70.345 68.868 -0.184 0.000 1.177 401 T HN 0.343 nan 8.240 nan 0.000 0.546 402 Y N -1.027 119.283 120.300 0.017 0.000 2.512 402 Y HA 0.614 5.163 4.550 -0.001 0.000 0.348 402 Y C 0.175 176.129 175.900 0.090 0.000 0.990 402 Y CA -1.045 57.083 58.100 0.047 0.000 1.033 402 Y CB 2.744 41.270 38.460 0.109 0.000 1.259 402 Y HN 0.681 nan 8.280 nan 0.000 0.461 403 T N 1.725 116.410 114.554 0.218 0.000 2.812 403 T HA 0.358 4.707 4.350 -0.001 0.000 0.282 403 T C -0.177 174.586 174.700 0.107 0.000 0.990 403 T CA -0.974 61.213 62.100 0.144 0.000 0.960 403 T CB 0.944 69.849 68.868 0.062 0.000 0.948 403 T HN 0.741 nan 8.240 nan 0.000 0.438 404 S N 3.488 119.244 115.700 0.094 0.000 2.617 404 S HA 0.112 4.581 4.470 -0.001 0.000 0.255 404 S C 1.605 176.216 174.600 0.019 0.000 1.318 404 S CA -0.773 57.427 58.200 -0.001 0.000 0.978 404 S CB 0.287 63.479 63.200 -0.014 0.000 0.961 404 S HN 0.923 nan 8.310 nan 0.000 0.582 405 W N 0.118 121.388 121.300 -0.049 0.000 2.611 405 W HA 0.061 4.720 4.660 -0.001 0.000 0.251 405 W C 0.721 177.233 176.519 -0.011 0.000 1.265 405 W CA 0.124 57.453 57.345 -0.026 0.000 1.295 405 W CB -1.140 28.313 29.460 -0.011 0.000 1.129 405 W HN 0.520 nan 8.180 nan 0.000 0.630 406 L N 1.334 122.103 121.223 -0.756 0.000 2.592 406 L HA 0.269 4.609 4.340 -0.001 0.000 0.227 406 L C 1.818 178.519 176.870 -0.280 0.000 1.127 406 L CA 0.800 55.216 54.840 -0.706 0.000 0.884 406 L CB -0.824 40.766 42.059 -0.781 0.000 1.065 406 L HN 0.214 nan 8.230 nan 0.000 0.457 407 G N 0.786 109.494 108.800 -0.154 0.000 2.147 407 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 407 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 407 G C 0.096 174.980 174.900 -0.026 0.000 1.005 407 G CA 0.033 45.102 45.100 -0.052 0.000 0.713 407 G HN 0.365 nan 8.290 nan 0.000 0.515 408 K N 0.831 121.215 120.400 -0.026 0.000 2.156 408 K HA 0.562 4.881 4.320 -0.001 0.000 0.250 408 K C -2.331 174.320 176.600 0.085 0.000 0.955 408 K CA -2.212 54.086 56.287 0.018 0.000 0.855 408 K CB 2.091 34.593 32.500 0.003 0.000 1.101 408 K HN -0.006 nan 8.250 nan 0.000 0.434 409 P HA -0.062 nan 4.420 nan 0.000 0.266 409 P C -1.259 176.158 177.300 0.195 0.000 1.195 409 P CA 0.058 63.228 63.100 0.116 0.000 0.768 409 P CB 0.389 32.123 31.700 0.056 0.000 0.838 410 W N 3.478 124.794 121.300 0.028 0.000 2.998 410 W HA 0.442 5.101 4.660 -0.001 0.000 0.335 410 W C -1.161 175.365 176.519 0.011 0.000 1.110 410 W CA -0.459 56.893 57.345 0.011 0.000 1.230 410 W CB 2.033 31.500 29.460 0.012 0.000 1.405 410 W HN 0.234 nan 8.180 nan 0.000 0.493 411 K N 3.663 123.619 120.400 -0.740 0.000 2.435 411 K HA 0.320 4.639 4.320 -0.001 0.000 0.251 411 K C -0.716 174.977 176.600 -1.512 0.000 0.954 411 K CA -1.220 54.614 56.287 -0.755 0.000 0.820 411 K CB 1.563 33.864 32.500 -0.332 0.000 1.292 411 K HN 0.374 nan 8.250 nan 0.000 0.436 412 H N 0.447 118.972 119.070 -0.908 0.000 3.140 412 H HA -0.070 4.485 4.556 -0.001 0.000 0.316 412 H C 1.274 176.342 175.328 -0.434 0.000 0.986 412 H CA 2.298 57.989 56.048 -0.594 0.000 1.397 412 H CB 0.548 30.201 29.762 -0.182 0.000 1.377 412 H HN 1.039 nan 8.280 nan 0.000 0.585 413 G N 2.932 111.609 108.800 -0.205 0.000 2.195 413 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.224 413 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.224 413 G C 0.253 175.057 174.900 -0.161 0.000 0.990 413 G CA 0.103 45.128 45.100 -0.125 0.000 0.639 413 G HN 0.705 nan 8.290 nan 0.000 0.514 414 D N 1.653 121.852 120.400 -0.335 0.000 2.472 414 D HA 0.185 4.825 4.640 -0.001 0.000 0.237 414 D C 0.138 176.445 176.300 0.011 0.000 1.141 414 D CA -0.381 53.487 54.000 -0.220 0.000 0.875 414 D CB 1.425 41.958 40.800 -0.444 0.000 1.192 414 D HN 0.191 nan 8.370 nan 0.000 0.450 415 P HA -0.071 nan 4.420 nan 0.000 0.220 415 P C 0.021 177.406 177.300 0.143 0.000 1.148 415 P CA 0.963 64.109 63.100 0.077 0.000 0.803 415 P CB 0.465 32.197 31.700 0.053 0.000 0.782 416 E N 0.855 121.185 120.200 0.216 0.000 2.204 416 E HA 0.313 4.662 4.350 -0.001 0.000 0.276 416 E C -2.269 174.595 176.600 0.441 0.000 0.974 416 E CA -2.599 53.969 56.400 0.279 0.000 0.815 416 E CB 1.150 31.008 29.700 0.263 0.000 1.119 416 E HN 0.180 nan 8.360 nan 0.000 0.393 417 P HA 0.025 nan 4.420 nan 0.000 0.272 417 P C 0.835 178.107 177.300 -0.047 0.000 1.223 417 P CA -0.155 63.055 63.100 0.184 0.000 0.784 417 P CB 1.017 32.739 31.700 0.037 0.000 0.923 418 C N 2.312 121.186 119.300 -0.711 0.000 2.429 418 C HA 0.081 4.541 4.460 -0.001 0.000 0.277 418 C C 1.340 176.187 174.990 -0.239 0.000 1.262 418 C CA 1.327 59.658 59.018 -1.146 0.000 1.733 418 C CB -1.385 25.381 27.740 -1.622 0.000 2.010 418 C HN 0.676 nan 8.230 nan 0.000 0.483 419 A N -0.077 122.644 122.820 -0.165 0.000 2.324 419 A HA 0.508 4.828 4.320 -0.001 0.000 0.330 419 A C -0.295 177.159 177.584 -0.217 0.000 1.165 419 A CA -0.336 51.665 52.037 -0.059 0.000 0.813 419 A CB -0.092 18.890 19.000 -0.031 0.000 1.197 419 A HN 0.669 nan 8.150 nan 0.000 0.484 420 H N 2.484 121.130 119.070 -0.707 0.000 2.897 420 H HA 0.075 4.630 4.556 -0.001 0.000 0.347 420 H C -1.771 173.283 175.328 -0.458 0.000 1.068 420 H CA -0.826 54.673 56.048 -0.916 0.000 1.426 420 H CB 1.161 30.022 29.762 -1.503 0.000 1.410 420 H HN 0.291 nan 8.280 nan 0.000 0.597 421 P HA -0.119 nan 4.420 nan 0.000 0.221 421 P C 0.663 177.815 177.300 -0.246 0.000 1.145 421 P CA 1.364 64.210 63.100 -0.422 0.000 0.795 421 P CB 0.250 31.694 31.700 -0.427 0.000 0.775 422 N N -1.083 117.583 118.700 -0.058 0.000 2.251 422 N HA 0.015 4.754 4.740 -0.001 0.000 0.217 422 N C -0.343 175.156 175.510 -0.017 0.000 1.124 422 N CA -0.191 52.865 53.050 0.010 0.000 0.843 422 N CB -0.201 38.316 38.487 0.049 0.000 1.024 422 N HN -0.030 nan 8.380 nan 0.000 0.501 423 S N -0.243 115.403 115.700 -0.090 0.000 2.576 423 S HA 0.346 4.816 4.470 -0.001 0.000 0.272 423 S C 0.112 174.565 174.600 -0.244 0.000 1.352 423 S CA -0.362 57.764 58.200 -0.123 0.000 1.021 423 S CB 1.195 64.322 63.200 -0.121 0.000 0.887 423 S HN 0.107 nan 8.310 nan 0.000 0.542 424 R N 0.540 120.901 120.500 -0.232 0.000 2.771 424 R HA 0.519 4.858 4.340 -0.001 0.000 0.274 424 R C -1.102 175.038 176.300 -0.266 0.000 0.987 424 R CA -0.663 55.134 56.100 -0.505 0.000 0.908 424 R CB 1.375 31.158 30.300 -0.862 0.000 1.213 424 R HN 0.789 nan 8.270 nan 0.000 0.468 425 F N -1.330 118.415 119.950 -0.342 0.000 2.507 425 F HA 0.707 5.233 4.527 -0.001 0.000 0.327 425 F C -0.213 175.430 175.800 -0.261 0.000 1.068 425 F CA -1.447 56.318 58.000 -0.391 0.000 0.965 425 F CB 1.262 39.990 39.000 -0.453 0.000 1.192 425 F HN 0.331 nan 8.300 nan 0.000 0.476 426 C N 3.539 122.863 119.300 0.039 0.000 2.407 426 C HA 0.915 5.374 4.460 -0.001 0.000 0.328 426 C C -0.595 174.437 174.990 0.069 0.000 1.137 426 C CA 0.006 59.108 59.018 0.141 0.000 1.390 426 C CB -0.716 27.111 27.740 0.145 0.000 1.989 426 C HN 1.211 nan 8.230 nan 0.000 0.432 427 A N 7.618 130.525 122.820 0.145 0.000 2.475 427 A HA 0.963 5.282 4.320 -0.001 0.000 0.301 427 A C -3.003 174.615 177.584 0.056 0.000 1.059 427 A CA -1.245 50.836 52.037 0.073 0.000 0.710 427 A CB 1.636 20.669 19.000 0.054 0.000 1.288 427 A HN 0.626 nan 8.150 nan 0.000 0.408 428 P HA 0.224 nan 4.420 nan 0.000 0.268 428 P C 0.742 177.991 177.300 -0.085 0.000 1.204 428 P CA 0.429 63.504 63.100 -0.041 0.000 0.768 428 P CB 1.162 32.860 31.700 -0.003 0.000 0.842 429 A N 3.533 126.171 122.820 -0.304 0.000 2.015 429 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 429 A C 1.497 178.852 177.584 -0.382 0.000 1.163 429 A CA 1.637 53.340 52.037 -0.555 0.000 0.646 429 A CB -1.141 17.125 19.000 -1.224 0.000 0.806 429 A HN 0.587 nan 8.150 nan 0.000 0.448 430 D N -0.341 119.936 120.400 -0.204 0.000 2.378 430 D HA -0.146 4.493 4.640 -0.001 0.000 0.222 430 D C 1.443 177.734 176.300 -0.016 0.000 0.980 430 D CA 0.899 54.870 54.000 -0.049 0.000 0.907 430 D CB -0.547 40.353 40.800 0.168 0.000 0.899 430 D HN 0.599 nan 8.370 nan 0.000 0.527 431 Q N -0.681 119.110 119.800 -0.015 0.000 2.425 431 Q HA 0.098 4.437 4.340 -0.001 0.000 0.204 431 Q C 0.275 176.269 176.000 -0.009 0.000 0.933 431 Q CA -0.104 55.700 55.803 0.002 0.000 0.939 431 Q CB 0.418 29.160 28.738 0.007 0.000 1.044 431 Q HN 0.323 nan 8.270 nan 0.000 0.513 432 C N 2.437 121.733 119.300 -0.007 0.000 2.566 432 C HA 0.192 4.652 4.460 -0.001 0.000 0.393 432 C C -1.261 173.708 174.990 -0.034 0.000 1.309 432 C CA -1.798 57.204 59.018 -0.026 0.000 1.801 432 C CB 0.362 28.112 27.740 0.017 0.000 2.493 432 C HN 0.280 nan 8.230 nan 0.000 0.575 433 P HA -0.047 nan 4.420 nan 0.000 0.225 433 P C 0.644 177.948 177.300 0.006 0.000 1.148 433 P CA 1.324 64.416 63.100 -0.014 0.000 0.779 433 P CB -0.155 31.528 31.700 -0.028 0.000 0.780 434 I N -7.294 113.273 120.570 -0.005 0.000 3.877 434 I HA 0.274 4.443 4.170 -0.001 0.000 0.332 434 I C 0.177 176.367 176.117 0.122 0.000 1.525 434 I CA -0.551 60.766 61.300 0.028 0.000 1.146 434 I CB -0.385 37.575 38.000 -0.065 0.000 1.137 434 I HN -0.322 nan 8.210 nan 0.000 0.424 435 M N 2.319 121.957 119.600 0.063 0.000 2.261 435 M HA 0.025 4.504 4.480 -0.001 0.000 0.350 435 M C 0.123 176.562 176.300 0.231 0.000 1.343 435 M CA 0.503 55.818 55.300 0.026 0.000 1.003 435 M CB -0.679 31.746 32.600 -0.291 0.000 1.848 435 M HN 0.315 nan 8.290 nan 0.000 0.456 436 D N 4.974 125.549 120.400 0.292 0.000 2.443 436 D HA 0.073 4.712 4.640 -0.001 0.000 0.239 436 D C -1.488 174.968 176.300 0.261 0.000 1.136 436 D CA -0.885 53.256 54.000 0.236 0.000 0.879 436 D CB 0.994 42.000 40.800 0.344 0.000 1.195 436 D HN 0.323 nan 8.370 nan 0.000 0.443 437 P HA -0.130 nan 4.420 nan 0.000 0.218 437 P C 0.264 177.631 177.300 0.112 0.000 1.146 437 P CA 1.240 64.404 63.100 0.106 0.000 0.813 437 P CB 0.197 31.907 31.700 0.016 0.000 0.778 438 R N -1.039 119.539 120.500 0.130 0.000 2.466 438 R HA 0.100 4.440 4.340 -0.001 0.000 0.279 438 R C 1.779 178.102 176.300 0.039 0.000 0.976 438 R CA -0.228 55.898 56.100 0.044 0.000 1.081 438 R CB -0.500 29.820 30.300 0.033 0.000 1.215 438 R HN 0.410 nan 8.270 nan 0.000 0.546 439 W N 1.887 123.202 121.300 0.026 0.000 2.392 439 W HA -0.111 4.548 4.660 -0.001 0.000 0.279 439 W C -0.344 176.161 176.519 -0.023 0.000 1.225 439 W CA 1.250 58.608 57.345 0.021 0.000 1.233 439 W CB -0.110 29.385 29.460 0.057 0.000 1.122 439 W HN 0.029 nan 8.180 nan 0.000 0.561 440 D N -0.081 119.748 120.400 -0.953 0.000 2.623 440 D HA 0.021 4.660 4.640 -0.001 0.000 0.252 440 D C -0.405 175.609 176.300 -0.476 0.000 1.294 440 D CA -0.471 52.969 54.000 -0.933 0.000 0.824 440 D CB -0.871 39.041 40.800 -1.480 0.000 1.070 440 D HN -0.165 nan 8.370 nan 0.000 0.487 441 D N 2.141 122.357 120.400 -0.307 0.000 2.371 441 D HA 0.036 4.675 4.640 -0.001 0.000 0.256 441 D C -1.101 175.097 176.300 -0.170 0.000 1.193 441 D CA -1.623 52.261 54.000 -0.193 0.000 0.881 441 D CB 1.930 42.650 40.800 -0.133 0.000 1.143 441 D HN -0.025 nan 8.370 nan 0.000 0.473 442 P HA -0.143 nan 4.420 nan 0.000 0.220 442 P C 1.031 178.273 177.300 -0.098 0.000 1.148 442 P CA 0.819 63.846 63.100 -0.121 0.000 0.803 442 P CB 0.373 32.011 31.700 -0.103 0.000 0.782 443 E N 0.151 120.298 120.200 -0.089 0.000 2.274 443 E HA 0.099 4.449 4.350 -0.001 0.000 0.194 443 E C 0.767 177.318 176.600 -0.082 0.000 0.996 443 E CA 0.551 56.906 56.400 -0.074 0.000 0.840 443 E CB -0.312 29.352 29.700 -0.061 0.000 0.772 443 E HN 0.177 nan 8.360 nan 0.000 0.491 444 G N 0.080 108.818 108.800 -0.103 0.000 2.781 444 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.683 444 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.683 444 G C -0.316 174.484 174.900 -0.167 0.000 1.390 444 G CA -0.359 44.672 45.100 -0.115 0.000 0.850 444 G HN 0.627 nan 8.290 nan 0.000 0.557 445 V N -1.906 117.860 119.914 -0.246 0.000 2.581 445 V HA 0.894 5.013 4.120 -0.001 0.000 0.303 445 V C -2.086 173.847 176.094 -0.268 0.000 1.041 445 V CA -2.048 59.973 62.300 -0.464 0.000 0.907 445 V CB 2.186 33.334 31.823 -1.125 0.000 0.994 445 V HN 0.906 nan 8.190 nan 0.000 0.442 446 P HA 0.349 nan 4.420 nan 0.000 0.282 446 P C -0.712 176.655 177.300 0.111 0.000 1.274 446 P CA -0.068 63.043 63.100 0.019 0.000 0.770 446 P CB 0.895 32.640 31.700 0.074 0.000 0.867 447 I N 4.302 124.931 120.570 0.098 0.000 2.325 447 I HA 0.137 4.306 4.170 -0.001 0.000 0.291 447 I C 1.027 177.244 176.117 0.167 0.000 1.019 447 I CA 0.204 61.598 61.300 0.157 0.000 1.302 447 I CB 0.751 38.833 38.000 0.137 0.000 1.401 447 I HN 0.295 nan 8.210 nan 0.000 0.485 448 D N 4.594 125.099 120.400 0.175 0.000 2.417 448 D HA 0.302 4.941 4.640 -0.001 0.000 0.207 448 D C 0.437 176.852 176.300 0.190 0.000 1.075 448 D CA 0.443 54.534 54.000 0.151 0.000 0.851 448 D CB 1.326 42.173 40.800 0.078 0.000 0.976 448 D HN 0.594 nan 8.370 nan 0.000 0.505 449 A N 0.502 123.446 122.820 0.207 0.000 2.520 449 A HA 0.667 4.986 4.320 -0.001 0.000 0.298 449 A C -1.227 176.480 177.584 0.205 0.000 1.051 449 A CA -0.536 51.661 52.037 0.267 0.000 0.690 449 A CB 1.355 20.475 19.000 0.200 0.000 1.281 449 A HN 0.009 nan 8.150 nan 0.000 0.402 450 I N 2.316 122.995 120.570 0.182 0.000 2.436 450 I HA 0.455 4.624 4.170 -0.001 0.000 0.289 450 I C -0.947 175.012 176.117 -0.263 0.000 1.010 450 I CA -0.437 60.849 61.300 -0.023 0.000 1.098 450 I CB 1.850 39.851 38.000 0.001 0.000 1.266 450 I HN 0.511 nan 8.210 nan 0.000 0.434 451 I N 5.984 126.336 120.570 -0.363 0.000 2.389 451 I HA 0.370 4.540 4.170 -0.001 0.000 0.288 451 I C -0.907 174.777 176.117 -0.722 0.000 0.999 451 I CA -0.486 60.559 61.300 -0.424 0.000 1.129 451 I CB 1.272 39.154 38.000 -0.197 0.000 1.288 451 I HN 0.265 nan 8.210 nan 0.000 0.444 452 F N 3.602 123.317 119.950 -0.393 0.000 2.399 452 F HA 0.698 5.224 4.527 -0.001 0.000 0.334 452 F C 0.930 176.118 175.800 -1.019 0.000 1.097 452 F CA -0.802 56.828 58.000 -0.615 0.000 1.076 452 F CB 1.441 40.167 39.000 -0.456 0.000 1.162 452 F HN 0.372 nan 8.300 nan 0.000 0.495 453 G N -0.018 108.187 108.800 -0.991 0.000 2.453 453 G HA2 0.685 4.644 3.960 -0.001 0.000 0.323 453 G HA3 0.685 4.644 3.960 -0.001 0.000 0.323 453 G C -0.844 173.698 174.900 -0.597 0.000 1.198 453 G CA -0.818 43.595 45.100 -1.144 0.000 0.959 453 G HN 0.959 nan 8.290 nan 0.000 0.482 454 G N -0.637 107.924 108.800 -0.398 0.000 2.708 454 G HA2 0.650 4.610 3.960 -0.001 0.000 0.289 454 G HA3 0.650 4.610 3.960 -0.001 0.000 0.289 454 G C -1.362 173.562 174.900 0.040 0.000 1.416 454 G CA -0.910 44.149 45.100 -0.068 0.000 0.829 454 G HN 0.664 nan 8.290 nan 0.000 0.480 455 R N 0.609 121.132 120.500 0.037 0.000 2.468 455 R HA 0.523 4.862 4.340 -0.001 0.000 0.302 455 R C -1.054 175.261 176.300 0.025 0.000 1.041 455 R CA -0.713 55.422 56.100 0.058 0.000 0.899 455 R CB 0.726 30.872 30.300 -0.256 0.000 1.167 455 R HN 0.430 nan 8.270 nan 0.000 0.483 456 R N 4.702 125.252 120.500 0.082 0.000 2.574 456 R HA 0.285 4.624 4.340 -0.001 0.000 0.288 456 R C -2.318 174.006 176.300 0.039 0.000 1.004 456 R CA -2.070 54.041 56.100 0.018 0.000 0.895 456 R CB 1.951 32.226 30.300 -0.042 0.000 1.191 456 R HN 0.436 nan 8.270 nan 0.000 0.444 457 P HA -0.064 nan 4.420 nan 0.000 0.227 457 P C -0.340 176.929 177.300 -0.052 0.000 1.161 457 P CA 0.922 64.046 63.100 0.040 0.000 0.788 457 P CB 0.700 32.411 31.700 0.018 0.000 0.822 458 R N -3.361 117.041 120.500 -0.164 0.000 2.817 458 R HA 0.571 4.910 4.340 -0.001 0.000 0.268 458 R C 0.603 176.471 176.300 -0.720 0.000 1.027 458 R CA -0.270 55.641 56.100 -0.316 0.000 0.928 458 R CB 0.344 30.495 30.300 -0.248 0.000 1.228 458 R HN -0.021 nan 8.270 nan 0.000 0.469 459 G N 0.094 108.374 108.800 -0.867 0.000 2.640 459 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.226 459 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.226 459 G C -0.187 174.123 174.900 -0.984 0.000 1.222 459 G CA 0.194 44.307 45.100 -1.646 0.000 0.729 459 G HN 0.464 nan 8.290 nan 0.000 0.516 460 V N 4.284 123.787 119.914 -0.684 0.000 2.408 460 V HA 0.462 4.582 4.120 -0.001 0.000 0.267 460 V C -1.447 174.574 176.094 -0.121 0.000 1.047 460 V CA -1.113 61.088 62.300 -0.165 0.000 0.937 460 V CB 1.329 33.105 31.823 -0.078 0.000 0.999 460 V HN 0.266 nan 8.190 nan 0.000 0.472 461 P HA 0.093 nan 4.420 nan 0.000 0.272 461 P C 0.861 177.967 177.300 -0.323 0.000 1.240 461 P CA -0.466 62.500 63.100 -0.223 0.000 0.791 461 P CB 0.661 32.324 31.700 -0.061 0.000 0.978 462 L N 2.391 123.220 121.223 -0.658 0.000 2.021 462 L HA -0.088 4.251 4.340 -0.001 0.000 0.215 462 L C 0.530 177.172 176.870 -0.380 0.000 1.074 462 L CA 2.189 56.648 54.840 -0.635 0.000 0.760 462 L CB -0.250 41.208 42.059 -1.002 0.000 0.889 462 L HN 0.209 nan 8.230 nan 0.000 0.433 463 V N -0.723 119.076 119.914 -0.192 0.000 2.891 463 V HA 0.570 4.690 4.120 -0.001 0.000 0.304 463 V C -1.412 174.799 176.094 0.194 0.000 1.171 463 V CA -0.645 61.678 62.300 0.038 0.000 0.943 463 V CB 2.226 34.092 31.823 0.072 0.000 1.037 463 V HN -0.204 nan 8.190 nan 0.000 0.427 464 V N 5.228 125.295 119.914 0.255 0.000 2.888 464 V HA 0.570 4.690 4.120 -0.001 0.000 0.309 464 V C -0.543 175.740 176.094 0.315 0.000 1.114 464 V CA -0.636 61.810 62.300 0.244 0.000 0.940 464 V CB 1.997 33.883 31.823 0.105 0.000 1.021 464 V HN 0.970 nan 8.190 nan 0.000 0.426 465 E N 2.594 122.976 120.200 0.304 0.000 2.179 465 E HA 0.727 5.076 4.350 -0.001 0.000 0.275 465 E C -0.071 176.471 176.600 -0.095 0.000 0.945 465 E CA -0.567 55.842 56.400 0.016 0.000 0.792 465 E CB 1.895 31.658 29.700 0.104 0.000 1.125 465 E HN 0.945 nan 8.360 nan 0.000 0.397 466 A N 3.444 126.130 122.820 -0.223 0.000 2.466 466 A HA 0.092 4.411 4.320 -0.001 0.000 0.238 466 A C 0.094 177.756 177.584 0.130 0.000 1.074 466 A CA -0.107 51.831 52.037 -0.164 0.000 0.774 466 A CB 0.025 18.914 19.000 -0.185 0.000 1.015 466 A HN 0.743 nan 8.150 nan 0.000 0.498 467 F N 0.900 121.124 119.950 0.457 0.000 2.558 467 F HA 0.296 4.822 4.527 -0.001 0.000 0.298 467 F C 1.588 177.543 175.800 0.258 0.000 1.119 467 F CA 0.962 59.118 58.000 0.259 0.000 1.451 467 F CB -0.392 38.609 39.000 0.002 0.000 1.091 467 F HN 0.804 nan 8.300 nan 0.000 0.563 468 G N -2.901 106.156 108.800 0.428 0.000 2.430 468 G HA2 0.047 4.006 3.960 -0.001 0.000 0.300 468 G HA3 0.047 4.006 3.960 -0.001 0.000 0.300 468 G C -0.299 174.815 174.900 0.356 0.000 1.330 468 G CA -0.447 44.867 45.100 0.356 0.000 0.813 468 G HN 0.083 nan 8.290 nan 0.000 0.487 469 W N 0.455 121.873 121.300 0.197 0.000 2.354 469 W HA -0.100 4.560 4.660 -0.001 0.000 0.315 469 W C 2.324 178.987 176.519 0.240 0.000 1.206 469 W CA 1.748 59.223 57.345 0.216 0.000 1.290 469 W CB 0.088 29.664 29.460 0.193 0.000 1.152 469 W HN 0.627 nan 8.180 nan 0.000 0.489 470 R N -1.063 119.628 120.500 0.319 0.000 2.081 470 R HA -0.215 4.125 4.340 -0.001 0.000 0.235 470 R C 2.488 178.902 176.300 0.189 0.000 1.131 470 R CA 1.843 58.069 56.100 0.209 0.000 0.960 470 R CB -1.189 29.239 30.300 0.214 0.000 0.856 470 R HN 0.385 nan 8.270 nan 0.000 0.436 471 H N -0.393 118.745 119.070 0.113 0.000 2.353 471 H HA -0.089 4.466 4.556 -0.001 0.000 0.300 471 H C 1.984 177.381 175.328 0.116 0.000 1.090 471 H CA 1.252 57.377 56.048 0.128 0.000 1.327 471 H CB 0.050 29.893 29.762 0.135 0.000 1.383 471 H HN 0.324 nan 8.280 nan 0.000 0.508 472 G N 0.208 108.977 108.800 -0.052 0.000 2.418 472 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 472 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 472 G C 1.840 176.620 174.900 -0.199 0.000 1.158 472 G CA 0.883 45.889 45.100 -0.156 0.000 0.771 472 G HN 0.329 nan 8.290 nan 0.000 0.545 473 V N 0.585 120.374 119.914 -0.209 0.000 2.343 473 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 473 V C 2.324 178.365 176.094 -0.088 0.000 1.051 473 V CA 1.842 64.071 62.300 -0.118 0.000 1.036 473 V CB -0.639 31.177 31.823 -0.012 0.000 0.654 473 V HN 0.421 nan 8.190 nan 0.000 0.451 474 F N 0.499 120.367 119.950 -0.137 0.000 2.095 474 F HA -0.248 4.278 4.527 -0.001 0.000 0.298 474 F C 2.320 178.004 175.800 -0.194 0.000 1.104 474 F CA 2.007 59.950 58.000 -0.096 0.000 1.232 474 F CB -0.339 38.665 39.000 0.007 0.000 0.987 474 F HN 0.056 nan 8.300 nan 0.000 0.475 475 M N 0.315 119.604 119.600 -0.518 0.000 2.082 475 M HA -0.178 4.302 4.480 -0.001 0.000 0.258 475 M C 2.511 178.269 176.300 -0.903 0.000 1.069 475 M CA 1.926 56.824 55.300 -0.670 0.000 1.102 475 M CB -1.424 30.948 32.600 -0.379 0.000 1.336 475 M HN 0.385 nan 8.290 nan 0.000 0.404 476 G N -0.076 107.842 108.800 -1.471 0.000 2.422 476 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 476 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 476 G C 1.608 175.822 174.900 -1.144 0.000 1.146 476 G CA 1.261 44.885 45.100 -2.460 0.000 0.769 476 G HN 0.576 nan 8.290 nan 0.000 0.547 477 S N 0.631 116.025 115.700 -0.511 0.000 2.447 477 S HA 0.258 4.727 4.470 -0.001 0.000 0.233 477 S C 2.209 176.786 174.600 -0.039 0.000 1.006 477 S CA 1.313 59.501 58.200 -0.020 0.000 0.957 477 S CB -0.155 63.084 63.200 0.065 0.000 0.773 477 S HN 0.576 nan 8.310 nan 0.000 0.507 478 A N 0.637 123.255 122.820 -0.335 0.000 2.308 478 A HA 0.530 4.849 4.320 -0.001 0.000 0.217 478 A C 0.810 178.230 177.584 -0.273 0.000 1.216 478 A CA -0.485 51.359 52.037 -0.322 0.000 0.864 478 A CB -0.528 18.098 19.000 -0.623 0.000 0.902 478 A HN 0.574 nan 8.150 nan 0.000 0.499 479 M N 0.908 120.349 119.600 -0.265 0.000 2.250 479 M HA 0.116 4.595 4.480 -0.001 0.000 0.337 479 M C 0.366 176.554 176.300 -0.188 0.000 1.161 479 M CA 0.960 56.154 55.300 -0.176 0.000 1.088 479 M CB 0.327 32.819 32.600 -0.181 0.000 1.639 479 M HN 0.291 nan 8.290 nan 0.000 0.447 480 R N 0.658 121.051 120.500 -0.178 0.000 2.854 480 R HA 0.724 5.063 4.340 -0.001 0.000 0.271 480 R C -0.675 175.536 176.300 -0.148 0.000 0.996 480 R CA -0.808 55.138 56.100 -0.256 0.000 0.961 480 R CB 2.067 32.161 30.300 -0.344 0.000 1.182 480 R HN 0.857 nan 8.270 nan 0.000 0.479 495 M N 3.418 122.933 119.600 -0.142 0.000 2.242 495 M HA 0.294 4.773 4.480 -0.001 0.000 0.344 495 M C 0.076 176.230 176.300 -0.242 0.000 1.140 495 M CA -0.020 55.215 55.300 -0.109 0.000 1.160 495 M CB 0.527 33.101 32.600 -0.043 0.000 1.491 495 M HN 0.428 nan 8.290 nan 0.000 0.459 496 H N 1.316 120.245 119.070 -0.235 0.000 2.548 496 H HA 0.184 4.740 4.556 -0.001 0.000 0.331 496 H C -0.649 174.592 175.328 -0.145 0.000 1.093 496 H CA 0.017 55.844 56.048 -0.368 0.000 1.367 496 H CB 1.147 30.296 29.762 -1.022 0.000 1.455 496 H HN 0.427 nan 8.280 nan 0.000 0.519 497 D N 4.176 124.573 120.400 -0.006 0.000 2.621 497 D HA 0.165 4.804 4.640 -0.001 0.000 0.274 497 D C -2.661 173.704 176.300 0.109 0.000 1.215 497 D CA -1.892 52.149 54.000 0.068 0.000 0.810 497 D CB 0.838 41.654 40.800 0.028 0.000 1.248 497 D HN 0.243 nan 8.370 nan 0.000 0.517 498 P HA 0.018 nan 4.420 nan 0.000 0.263 498 P C 0.221 177.742 177.300 0.368 0.000 1.195 498 P CA -0.044 63.244 63.100 0.313 0.000 0.762 498 P CB 0.021 32.075 31.700 0.591 0.000 0.799 499 F N 1.655 121.566 119.950 -0.065 0.000 3.093 499 F HA -0.295 4.231 4.527 -0.001 0.000 0.283 499 F C 1.459 177.314 175.800 0.092 0.000 0.848 499 F CA 1.120 59.110 58.000 -0.016 0.000 1.059 499 F CB -2.586 36.472 39.000 0.098 0.000 1.191 499 F HN 0.597 nan 8.300 nan 0.000 0.514 500 A N -1.629 121.300 122.820 0.182 0.000 2.816 500 A HA -0.304 4.015 4.320 -0.001 0.000 0.270 500 A C 1.407 179.191 177.584 0.334 0.000 1.413 500 A CA 1.672 53.852 52.037 0.238 0.000 0.866 500 A CB -1.382 17.740 19.000 0.204 0.000 1.032 500 A HN 0.422 nan 8.150 nan 0.000 0.642 501 M N -1.513 118.125 119.600 0.063 0.000 2.356 501 M HA 0.137 4.616 4.480 -0.001 0.000 0.262 501 M C 1.645 177.515 176.300 -0.717 0.000 1.097 501 M CA 0.541 55.645 55.300 -0.326 0.000 0.991 501 M CB -0.454 31.610 32.600 -0.894 0.000 1.450 501 M HN 0.647 nan 8.290 nan 0.000 0.495 502 R N 1.819 122.144 120.500 -0.293 0.000 2.096 502 R HA -0.155 4.184 4.340 -0.001 0.000 0.240 502 R C -1.067 175.060 176.300 -0.288 0.000 1.139 502 R CA 1.847 57.865 56.100 -0.137 0.000 0.952 502 R CB -0.928 29.387 30.300 0.025 0.000 0.854 502 R HN 0.171 nan 8.270 nan 0.000 0.436 503 P HA 0.029 nan 4.420 nan 0.000 0.249 503 P C -0.268 176.517 177.300 -0.859 0.000 1.229 503 P CA 0.829 63.443 63.100 -0.809 0.000 0.788 503 P CB 0.213 31.179 31.700 -1.223 0.000 1.072 504 F N -3.039 116.758 119.950 -0.255 0.000 2.772 504 F HA 0.327 4.853 4.527 -0.001 0.000 0.316 504 F C 0.511 176.131 175.800 -0.299 0.000 1.114 504 F CA -1.111 56.731 58.000 -0.263 0.000 1.191 504 F CB -0.608 38.224 39.000 -0.280 0.000 1.065 504 F HN -0.292 nan 8.300 nan 0.000 0.534 505 F N 0.663 120.574 119.950 -0.066 0.000 2.518 505 F HA 0.401 4.927 4.527 -0.001 0.000 0.359 505 F C 1.627 177.376 175.800 -0.086 0.000 1.118 505 F CA 0.023 57.930 58.000 -0.156 0.000 1.287 505 F CB 0.654 39.498 39.000 -0.259 0.000 1.132 505 F HN 0.094 nan 8.300 nan 0.000 0.587 506 G N 2.073 110.992 108.800 0.199 0.000 3.126 506 G HA2 0.235 4.194 3.960 -0.001 0.000 0.224 506 G HA3 0.235 4.194 3.960 -0.001 0.000 0.224 506 G C -0.737 174.352 174.900 0.315 0.000 1.142 506 G CA 0.247 45.473 45.100 0.211 0.000 0.759 506 G HN 0.645 nan 8.290 nan 0.000 0.550 507 Y N -2.639 117.723 120.300 0.104 0.000 2.779 507 Y HA 0.478 5.027 4.550 -0.001 0.000 0.340 507 Y C -0.767 175.131 175.900 -0.004 0.000 1.252 507 Y CA -2.238 55.890 58.100 0.048 0.000 1.072 507 Y CB 0.143 38.621 38.460 0.030 0.000 1.343 507 Y HN -0.146 nan 8.280 nan 0.000 0.450 508 N N 1.126 119.829 118.700 0.005 0.000 2.315 508 N HA -0.042 4.697 4.740 -0.001 0.000 0.270 508 N C 1.058 176.336 175.510 -0.388 0.000 1.329 508 N CA 1.046 53.999 53.050 -0.163 0.000 0.860 508 N CB 1.465 39.939 38.487 -0.021 0.000 1.095 508 N HN 0.994 nan 8.380 nan 0.000 0.487 509 A N 4.145 126.578 122.820 -0.645 0.000 1.978 509 A HA -0.099 4.220 4.320 -0.001 0.000 0.220 509 A C 2.025 179.532 177.584 -0.129 0.000 1.170 509 A CA 1.821 53.301 52.037 -0.928 0.000 0.636 509 A CB -0.821 17.300 19.000 -1.464 0.000 0.810 509 A HN 0.757 nan 8.150 nan 0.000 0.448 510 G N -0.532 108.297 108.800 0.049 0.000 2.408 510 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.217 510 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.217 510 G C 1.739 176.724 174.900 0.143 0.000 1.150 510 G CA 0.794 46.042 45.100 0.246 0.000 0.776 510 G HN 0.588 nan 8.290 nan 0.000 0.542 511 R N -1.070 119.502 120.500 0.121 0.000 2.148 511 R HA -0.009 4.331 4.340 -0.001 0.000 0.223 511 R C 2.224 178.740 176.300 0.361 0.000 1.088 511 R CA 0.936 57.173 56.100 0.229 0.000 0.985 511 R CB -0.430 30.046 30.300 0.293 0.000 0.880 511 R HN 0.544 nan 8.270 nan 0.000 0.451 512 Y N 1.624 121.944 120.300 0.034 0.000 2.145 512 Y HA -0.174 4.375 4.550 -0.001 0.000 0.286 512 Y C 1.858 177.900 175.900 0.236 0.000 1.145 512 Y CA 1.420 59.575 58.100 0.093 0.000 1.148 512 Y CB -0.225 38.099 38.460 -0.226 0.000 0.981 512 Y HN -0.086 nan 8.280 nan 0.000 0.507 513 L N 0.133 121.491 121.223 0.225 0.000 2.046 513 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 513 L C 2.522 179.470 176.870 0.130 0.000 1.077 513 L CA 1.794 56.690 54.840 0.092 0.000 0.747 513 L CB -0.669 41.424 42.059 0.057 0.000 0.896 513 L HN 0.225 nan 8.230 nan 0.000 0.432 514 E N -0.038 120.252 120.200 0.150 0.000 2.085 514 E HA -0.298 4.051 4.350 -0.001 0.000 0.194 514 E C 2.061 178.777 176.600 0.193 0.000 0.994 514 E CA 1.642 58.135 56.400 0.154 0.000 0.801 514 E CB -0.174 29.608 29.700 0.137 0.000 0.743 514 E HN 0.474 nan 8.360 nan 0.000 0.453 515 H N -1.483 117.654 119.070 0.111 0.000 2.353 515 H HA -0.098 4.458 4.556 -0.001 0.000 0.300 515 H C 1.540 176.887 175.328 0.031 0.000 1.090 515 H CA 2.101 58.180 56.048 0.052 0.000 1.327 515 H CB -0.530 29.260 29.762 0.047 0.000 1.383 515 H HN 0.229 nan 8.280 nan 0.000 0.508 516 W N 0.491 121.680 121.300 -0.186 0.000 2.358 516 W HA -0.119 4.540 4.660 -0.001 0.000 0.303 516 W C 2.358 179.036 176.519 0.266 0.000 1.208 516 W CA 1.400 58.706 57.345 -0.066 0.000 1.274 516 W CB -0.374 28.956 29.460 -0.217 0.000 1.138 516 W HN 0.205 nan 8.180 nan 0.000 0.515 517 L N -0.949 120.519 121.223 0.408 0.000 2.017 517 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 517 L C 2.662 179.705 176.870 0.287 0.000 1.073 517 L CA 1.609 56.702 54.840 0.422 0.000 0.745 517 L CB -1.348 40.864 42.059 0.254 0.000 0.894 517 L HN -0.107 nan 8.230 nan 0.000 0.432 518 S N -0.763 115.020 115.700 0.137 0.000 2.370 518 S HA -0.217 4.253 4.470 -0.001 0.000 0.226 518 S C 1.997 176.570 174.600 -0.045 0.000 1.033 518 S CA 2.086 60.310 58.200 0.040 0.000 1.011 518 S CB -0.268 62.960 63.200 0.046 0.000 0.852 518 S HN 0.436 nan 8.310 nan 0.000 0.457 519 T N 0.790 115.282 114.554 -0.103 0.000 2.759 519 T HA -0.052 4.298 4.350 -0.001 0.000 0.269 519 T C 1.771 176.305 174.700 -0.277 0.000 1.042 519 T CA 1.359 63.359 62.100 -0.166 0.000 1.140 519 T CB -0.892 67.819 68.868 -0.263 0.000 0.864 519 T HN 0.584 nan 8.240 nan 0.000 0.455 520 G N 0.790 109.341 108.800 -0.415 0.000 2.559 520 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.216 520 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.216 520 G C 1.265 175.862 174.900 -0.504 0.000 1.126 520 G CA 0.152 44.623 45.100 -1.048 0.000 0.778 520 G HN 0.470 nan 8.290 nan 0.000 0.543 521 L N -0.268 120.796 121.223 -0.265 0.000 2.558 521 L HA 0.201 4.540 4.340 -0.001 0.000 0.225 521 L C 1.599 178.343 176.870 -0.211 0.000 1.128 521 L CA -0.377 54.357 54.840 -0.176 0.000 0.868 521 L CB -0.091 41.919 42.059 -0.082 0.000 1.006 521 L HN 0.100 nan 8.230 nan 0.000 0.454 522 R N 2.175 122.497 120.500 -0.297 0.000 2.502 522 R HA -0.005 4.335 4.340 -0.001 0.000 0.292 522 R C 0.355 176.469 176.300 -0.311 0.000 0.998 522 R CA -0.047 55.864 56.100 -0.314 0.000 1.056 522 R CB 0.509 30.528 30.300 -0.469 0.000 0.939 522 R HN 0.203 nan 8.270 nan 0.000 0.411 523 S N 4.686 120.259 115.700 -0.210 0.000 2.549 523 S HA 0.027 4.496 4.470 -0.001 0.000 0.286 523 S C 0.306 174.786 174.600 -0.199 0.000 1.314 523 S CA -0.347 57.749 58.200 -0.172 0.000 1.062 523 S CB 0.743 63.875 63.200 -0.113 0.000 0.865 523 S HN 0.906 nan 8.310 nan 0.000 0.498 524 N N -0.830 117.766 118.700 -0.174 0.000 2.778 524 N HA -0.178 4.561 4.740 -0.001 0.000 0.249 524 N C 0.194 175.578 175.510 -0.211 0.000 1.069 524 N CA 1.126 54.084 53.050 -0.153 0.000 0.831 524 N CB -1.968 36.456 38.487 -0.106 0.000 1.142 524 N HN 1.091 nan 8.380 nan 0.000 0.573 525 A N 0.770 123.373 122.820 -0.361 0.000 2.511 525 A HA 0.266 4.585 4.320 -0.001 0.000 0.242 525 A C 0.794 178.224 177.584 -0.256 0.000 1.069 525 A CA 0.172 51.873 52.037 -0.558 0.000 0.763 525 A CB 0.219 18.576 19.000 -1.072 0.000 1.001 525 A HN 0.258 nan 8.150 nan 0.000 0.498 526 R N 2.624 123.081 120.500 -0.070 0.000 2.870 526 R HA 0.263 4.602 4.340 -0.001 0.000 0.254 526 R C -0.901 175.501 176.300 0.171 0.000 1.392 526 R CA -0.112 56.021 56.100 0.055 0.000 1.322 526 R CB -0.007 30.346 30.300 0.089 0.000 1.205 526 R HN 0.663 nan 8.270 nan 0.000 0.597 527 L N 4.543 125.826 121.223 0.099 0.000 2.455 527 L HA 0.174 4.514 4.340 -0.001 0.000 0.272 527 L C -1.475 175.572 176.870 0.295 0.000 1.174 527 L CA -1.693 53.258 54.840 0.186 0.000 0.869 527 L CB 0.034 42.097 42.059 0.007 0.000 1.130 527 L HN 0.207 nan 8.230 nan 0.000 0.474 528 P HA 0.104 nan 4.420 nan 0.000 0.269 528 P C -0.657 176.868 177.300 0.376 0.000 1.215 528 P CA -0.272 63.037 63.100 0.349 0.000 0.780 528 P CB 0.582 32.496 31.700 0.356 0.000 0.898 529 R N 1.244 121.907 120.500 0.273 0.000 2.594 529 R HA 0.396 4.735 4.340 -0.001 0.000 0.272 529 R C -0.009 176.321 176.300 0.051 0.000 1.074 529 R CA -0.447 55.733 56.100 0.133 0.000 1.105 529 R CB 0.157 30.503 30.300 0.077 0.000 1.008 529 R HN 0.476 nan 8.270 nan 0.000 0.472 530 L N 3.435 124.513 121.223 -0.241 0.000 2.329 530 L HA 0.553 4.892 4.340 -0.001 0.000 0.279 530 L C -0.765 175.805 176.870 -0.500 0.000 1.014 530 L CA -0.539 54.165 54.840 -0.228 0.000 0.814 530 L CB 0.969 42.963 42.059 -0.108 0.000 1.257 530 L HN 0.461 nan 8.230 nan 0.000 0.424 531 F N 0.449 120.328 119.950 -0.119 0.000 2.613 531 F HA 0.511 5.037 4.527 -0.001 0.000 0.314 531 F C -0.093 175.685 175.800 -0.036 0.000 1.075 531 F CA -0.779 57.208 58.000 -0.022 0.000 0.945 531 F CB 1.812 40.821 39.000 0.013 0.000 1.310 531 F HN 0.397 nan 8.300 nan 0.000 0.467 532 H N 1.354 120.492 119.070 0.114 0.000 2.600 532 H HA 0.719 5.275 4.556 -0.001 0.000 0.357 532 H C -1.628 173.640 175.328 -0.099 0.000 1.106 532 H CA -0.639 55.400 56.048 -0.016 0.000 1.193 532 H CB 2.022 31.765 29.762 -0.030 0.000 1.594 532 H HN 0.586 nan 8.280 nan 0.000 0.526 533 V N 2.819 122.400 119.914 -0.555 0.000 2.960 533 V HA 0.555 4.674 4.120 -0.001 0.000 0.315 533 V C -0.647 175.030 176.094 -0.695 0.000 1.087 533 V CA -0.967 60.971 62.300 -0.603 0.000 0.982 533 V CB 1.955 33.220 31.823 -0.929 0.000 1.039 533 V HN 0.794 nan 8.190 nan 0.000 0.437 534 N N 1.693 120.032 118.700 -0.602 0.000 2.571 534 N HA 0.401 5.140 4.740 -0.001 0.000 0.286 534 N C -0.443 174.846 175.510 -0.369 0.000 1.138 534 N CA -0.689 52.120 53.050 -0.403 0.000 0.859 534 N CB 1.141 39.550 38.487 -0.131 0.000 1.414 534 N HN 0.893 nan 8.380 nan 0.000 0.529 535 W N 2.096 123.186 121.300 -0.350 0.000 2.937 535 W HA 0.202 4.861 4.660 -0.001 0.000 0.245 535 W C 0.091 176.104 176.519 -0.843 0.000 1.306 535 W CA -0.358 56.552 57.345 -0.725 0.000 1.470 535 W CB 0.118 28.875 29.460 -1.172 0.000 1.132 535 W HN 0.426 nan 8.180 nan 0.000 0.675 536 F N 0.138 120.094 119.950 0.010 0.000 2.698 536 F HA 0.299 4.825 4.527 -0.001 0.000 0.304 536 F C 0.719 176.651 175.800 0.221 0.000 1.108 536 F CA -0.705 57.288 58.000 -0.012 0.000 1.263 536 F CB -0.619 38.389 39.000 0.013 0.000 1.013 536 F HN -0.366 nan 8.300 nan 0.000 0.532 537 L N 1.502 122.852 121.223 0.212 0.000 2.514 537 L HA 0.141 4.481 4.340 -0.001 0.000 0.280 537 L C 0.559 177.580 176.870 0.252 0.000 1.223 537 L CA 0.440 55.364 54.840 0.141 0.000 0.864 537 L CB 0.374 42.424 42.059 -0.014 0.000 1.118 537 L HN 0.163 nan 8.230 nan 0.000 0.494 538 R N 0.969 121.548 120.500 0.132 0.000 2.664 538 R HA 0.291 4.631 4.340 -0.001 0.000 0.286 538 R C -0.837 175.476 176.300 0.021 0.000 0.967 538 R CA -0.904 55.239 56.100 0.072 0.000 0.933 538 R CB 1.553 31.848 30.300 -0.008 0.000 1.146 538 R HN 0.642 nan 8.270 nan 0.000 0.468 539 D N 0.246 120.653 120.400 0.011 0.000 2.451 539 D HA 0.010 4.649 4.640 -0.001 0.000 0.259 539 D C -0.044 176.249 176.300 -0.012 0.000 1.201 539 D CA -0.630 53.372 54.000 0.004 0.000 1.028 539 D CB 0.367 41.175 40.800 0.015 0.000 1.095 539 D HN 0.232 nan 8.370 nan 0.000 0.539 540 N N -0.847 117.848 118.700 -0.008 0.000 2.530 540 N HA 0.048 4.787 4.740 -0.001 0.000 0.216 540 N C -0.045 175.457 175.510 -0.013 0.000 1.315 540 N CA 0.226 53.270 53.050 -0.010 0.000 0.858 540 N CB -0.060 38.424 38.487 -0.004 0.000 1.138 540 N HN 0.549 nan 8.380 nan 0.000 0.473 541 E N -1.605 118.583 120.200 -0.020 0.000 2.703 541 E HA 0.135 4.484 4.350 -0.001 0.000 0.214 541 E C 0.496 177.070 176.600 -0.043 0.000 0.944 541 E CA 0.242 56.627 56.400 -0.025 0.000 1.299 541 E CB 0.304 29.992 29.700 -0.019 0.000 1.189 541 E HN 0.198 nan 8.360 nan 0.000 0.597 542 G N 2.045 110.813 108.800 -0.053 0.000 2.157 542 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.248 542 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.248 542 G C 0.154 174.965 174.900 -0.148 0.000 0.979 542 G CA 0.442 45.490 45.100 -0.087 0.000 0.650 542 G HN 0.149 nan 8.290 nan 0.000 0.529 543 R N -1.042 119.385 120.500 -0.123 0.000 2.758 543 R HA 0.663 5.002 4.340 -0.001 0.000 0.265 543 R C -0.268 175.971 176.300 -0.101 0.000 1.016 543 R CA -0.992 55.005 56.100 -0.173 0.000 1.040 543 R CB 0.659 30.913 30.300 -0.076 0.000 1.152 543 R HN 0.017 nan 8.270 nan 0.000 0.503 544 F N 0.738 120.720 119.950 0.053 0.000 2.538 544 F HA -0.021 4.505 4.527 -0.001 0.000 0.371 544 F C 1.635 177.465 175.800 0.049 0.000 1.087 544 F CA -0.277 57.764 58.000 0.067 0.000 1.250 544 F CB 0.430 39.483 39.000 0.087 0.000 1.110 544 F HN 0.251 nan 8.300 nan 0.000 0.570 545 V N 3.141 123.221 119.914 0.276 0.000 2.358 545 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 545 V C 0.652 176.878 176.094 0.221 0.000 1.047 545 V CA 0.981 63.388 62.300 0.178 0.000 1.035 545 V CB -0.436 31.454 31.823 0.113 0.000 0.658 545 V HN 0.704 nan 8.190 nan 0.000 0.452 546 W N 1.752 123.045 121.300 -0.012 0.000 2.433 546 W HA 0.330 4.990 4.660 -0.001 0.000 0.315 546 W C -2.195 174.261 176.519 -0.104 0.000 1.087 546 W CA -2.102 55.187 57.345 -0.092 0.000 1.205 546 W CB 2.164 31.541 29.460 -0.138 0.000 1.288 546 W HN 0.173 nan 8.180 nan 0.000 0.504 547 P HA 0.016 nan 4.420 nan 0.000 0.223 547 P C 0.924 177.987 177.300 -0.396 0.000 1.151 547 P CA 1.606 64.445 63.100 -0.434 0.000 0.787 547 P CB 0.271 31.650 31.700 -0.535 0.000 0.788 548 G N -1.272 107.053 108.800 -0.791 0.000 2.575 548 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.267 548 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.267 548 G C 0.173 174.857 174.900 -0.360 0.000 1.264 548 G CA -0.143 44.596 45.100 -0.603 0.000 0.935 548 G HN 0.151 nan 8.290 nan 0.000 0.568 549 F N -1.793 117.894 119.950 -0.437 0.000 2.697 549 F HA -0.289 4.237 4.527 -0.001 0.000 0.250 549 F C 2.707 178.283 175.800 -0.373 0.000 1.066 549 F CA 2.937 60.727 58.000 -0.350 0.000 1.366 549 F CB -1.653 37.194 39.000 -0.254 0.000 2.184 549 F HN 1.595 nan 8.300 nan 0.000 0.407 550 G N -1.052 107.675 108.800 -0.123 0.000 2.462 550 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.220 550 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.220 550 G C 1.091 175.783 174.900 -0.348 0.000 1.121 550 G CA 1.276 46.215 45.100 -0.268 0.000 0.758 550 G HN 0.712 nan 8.290 nan 0.000 0.559 551 H N 0.654 119.574 119.070 -0.250 0.000 2.521 551 H HA -0.006 4.549 4.556 -0.001 0.000 0.286 551 H C 2.136 177.377 175.328 -0.144 0.000 1.034 551 H CA 0.964 56.829 56.048 -0.305 0.000 1.278 551 H CB 0.018 29.412 29.762 -0.612 0.000 1.386 551 H HN 0.259 nan 8.280 nan 0.000 0.567 552 N N 1.105 119.711 118.700 -0.157 0.000 2.348 552 N HA -0.097 4.642 4.740 -0.001 0.000 0.185 552 N C 1.970 177.407 175.510 -0.121 0.000 1.019 552 N CA 0.860 53.759 53.050 -0.252 0.000 0.880 552 N CB -0.200 37.792 38.487 -0.825 0.000 0.965 552 N HN 0.345 nan 8.380 nan 0.000 0.437 553 A N 1.241 123.980 122.820 -0.135 0.000 2.024 553 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 553 A C 2.212 179.662 177.584 -0.223 0.000 1.164 553 A CA 1.043 52.972 52.037 -0.180 0.000 0.643 553 A CB -0.337 18.538 19.000 -0.209 0.000 0.806 553 A HN 0.265 nan 8.150 nan 0.000 0.451 554 R N -0.800 119.668 120.500 -0.052 0.000 2.096 554 R HA -0.080 4.259 4.340 -0.001 0.000 0.235 554 R C 1.958 178.295 176.300 0.062 0.000 1.127 554 R CA 1.455 57.567 56.100 0.019 0.000 0.968 554 R CB -0.553 29.902 30.300 0.258 0.000 0.861 554 R HN 0.389 nan 8.270 nan 0.000 0.440 555 V N 1.463 121.448 119.914 0.118 0.000 2.307 555 V HA -0.196 3.923 4.120 -0.001 0.000 0.245 555 V C 2.269 178.434 176.094 0.119 0.000 1.045 555 V CA 1.589 63.974 62.300 0.140 0.000 1.024 555 V CB -0.424 31.515 31.823 0.192 0.000 0.651 555 V HN 0.278 nan 8.190 nan 0.000 0.449 556 L N 0.220 121.457 121.223 0.023 0.000 2.079 556 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 556 L C 2.725 179.530 176.870 -0.109 0.000 1.081 556 L CA 1.530 56.351 54.840 -0.032 0.000 0.752 556 L CB -0.885 41.155 42.059 -0.032 0.000 0.896 556 L HN 0.379 nan 8.230 nan 0.000 0.433 557 A N -0.474 122.141 122.820 -0.341 0.000 1.902 557 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 557 A C 2.005 179.582 177.584 -0.012 0.000 1.181 557 A CA 1.480 53.185 52.037 -0.553 0.000 0.623 557 A CB -0.933 17.501 19.000 -0.943 0.000 0.818 557 A HN 0.610 nan 8.150 nan 0.000 0.443 558 W N 0.766 122.019 121.300 -0.078 0.000 2.355 558 W HA -0.165 4.495 4.660 -0.001 0.000 0.309 558 W C 1.795 178.335 176.519 0.036 0.000 1.206 558 W CA 1.926 59.283 57.345 0.020 0.000 1.284 558 W CB -0.351 29.128 29.460 0.032 0.000 1.145 558 W HN 0.295 nan 8.180 nan 0.000 0.502 559 I N -0.138 120.399 120.570 -0.054 0.000 2.151 559 I HA -0.368 3.801 4.170 -0.001 0.000 0.243 559 I C 2.444 178.440 176.117 -0.201 0.000 1.080 559 I CA 1.907 62.968 61.300 -0.400 0.000 1.339 559 I CB -0.984 36.678 38.000 -0.563 0.000 1.039 559 I HN -0.007 nan 8.210 nan 0.000 0.409 560 F N 1.729 121.591 119.950 -0.147 0.000 2.091 560 F HA -0.226 4.300 4.527 -0.001 0.000 0.299 560 F C 2.361 178.151 175.800 -0.018 0.000 1.103 560 F CA 1.955 59.955 58.000 -0.001 0.000 1.228 560 F CB -0.829 38.275 39.000 0.173 0.000 0.984 560 F HN 0.016 nan 8.300 nan 0.000 0.477 561 G N -0.005 108.916 108.800 0.202 0.000 2.422 561 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.218 561 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.218 561 G C 1.818 176.629 174.900 -0.149 0.000 1.146 561 G CA 0.474 45.607 45.100 0.055 0.000 0.769 561 G HN 0.170 nan 8.290 nan 0.000 0.547 562 R N 0.242 120.538 120.500 -0.340 0.000 2.096 562 R HA 0.079 4.418 4.340 -0.001 0.000 0.235 562 R C 2.575 178.788 176.300 -0.146 0.000 1.127 562 R CA 0.559 56.458 56.100 -0.336 0.000 0.968 562 R CB -0.829 29.180 30.300 -0.485 0.000 0.861 562 R HN 0.450 nan 8.270 nan 0.000 0.440 563 I N 1.312 121.818 120.570 -0.106 0.000 2.194 563 I HA -0.311 3.858 4.170 -0.001 0.000 0.246 563 I C 1.941 177.995 176.117 -0.105 0.000 1.093 563 I CA 1.498 62.747 61.300 -0.085 0.000 1.355 563 I CB -0.272 37.628 38.000 -0.166 0.000 1.046 563 I HN 0.211 nan 8.210 nan 0.000 0.413 564 Q N 0.377 120.101 119.800 -0.126 0.000 2.482 564 Q HA 0.058 4.397 4.340 -0.001 0.000 0.209 564 Q C 1.347 177.314 176.000 -0.054 0.000 0.961 564 Q CA 0.629 56.384 55.803 -0.081 0.000 0.945 564 Q CB 0.307 29.023 28.738 -0.037 0.000 1.012 564 Q HN 0.690 nan 8.270 nan 0.000 0.515 565 G N 1.582 110.338 108.800 -0.074 0.000 2.136 565 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.242 565 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.242 565 G C -0.128 174.723 174.900 -0.081 0.000 0.989 565 G CA -0.301 44.754 45.100 -0.075 0.000 0.682 565 G HN 0.209 nan 8.290 nan 0.000 0.522 566 R N 0.049 120.497 120.500 -0.087 0.000 2.643 566 R HA 0.280 4.619 4.340 -0.001 0.000 0.270 566 R C -0.240 176.004 176.300 -0.094 0.000 1.061 566 R CA -0.139 55.922 56.100 -0.064 0.000 1.107 566 R CB 0.418 30.698 30.300 -0.033 0.000 0.999 566 R HN 0.140 nan 8.270 nan 0.000 0.460 567 D N 1.570 121.940 120.400 -0.050 0.000 2.713 567 D HA 0.019 4.658 4.640 -0.001 0.000 0.229 567 D C 0.087 176.392 176.300 0.008 0.000 1.136 567 D CA 0.026 53.996 54.000 -0.050 0.000 1.010 567 D CB 0.098 40.886 40.800 -0.020 0.000 1.084 567 D HN 0.540 nan 8.370 nan 0.000 0.495 568 T N -1.248 113.324 114.554 0.030 0.000 3.252 568 T HA 0.635 4.984 4.350 -0.001 0.000 0.286 568 T C 0.275 175.205 174.700 0.383 0.000 1.013 568 T CA -0.553 61.667 62.100 0.200 0.000 0.914 568 T CB 0.471 69.488 68.868 0.248 0.000 1.131 568 T HN 0.171 nan 8.240 nan 0.000 0.529 569 A N 2.009 124.966 122.820 0.227 0.000 2.454 569 A HA 0.904 5.223 4.320 -0.001 0.000 0.302 569 A C -0.437 177.369 177.584 0.371 0.000 1.079 569 A CA -1.413 50.841 52.037 0.361 0.000 0.731 569 A CB 1.545 20.734 19.000 0.315 0.000 1.299 569 A HN 0.607 nan 8.150 nan 0.000 0.413 570 R N 0.968 121.745 120.500 0.463 0.000 2.750 570 R HA 0.759 5.098 4.340 -0.001 0.000 0.281 570 R C -3.129 173.468 176.300 0.495 0.000 0.972 570 R CA -1.879 54.488 56.100 0.445 0.000 0.912 570 R CB 2.062 32.492 30.300 0.217 0.000 1.187 570 R HN 0.420 nan 8.270 nan 0.000 0.464 571 P HA 0.158 nan 4.420 nan 0.000 0.282 571 P C -0.793 176.536 177.300 0.050 0.000 1.249 571 P CA -0.207 62.900 63.100 0.010 0.000 0.806 571 P CB 1.720 33.289 31.700 -0.219 0.000 0.984 572 T N -1.864 112.715 114.554 0.043 0.000 2.865 572 T HA 0.486 4.835 4.350 -0.001 0.000 0.294 572 T C -2.318 172.386 174.700 0.006 0.000 1.119 572 T CA -2.104 60.005 62.100 0.015 0.000 1.007 572 T CB 0.982 69.850 68.868 0.001 0.000 1.225 572 T HN -0.024 nan 8.240 nan 0.000 0.515 573 P HA 0.043 nan 4.420 nan 0.000 0.221 573 P C 1.349 178.548 177.300 -0.169 0.000 1.145 573 P CA 0.857 63.897 63.100 -0.100 0.000 0.795 573 P CB -0.219 31.392 31.700 -0.148 0.000 0.775 574 I N -6.660 113.751 120.570 -0.265 0.000 4.057 574 I HA 0.491 4.660 4.170 -0.001 0.000 0.334 574 I C 0.800 176.755 176.117 -0.269 0.000 1.308 574 I CA 0.048 61.139 61.300 -0.348 0.000 1.125 574 I CB 0.372 37.973 38.000 -0.665 0.000 1.034 574 I HN -0.073 nan 8.210 nan 0.000 0.401 575 G N 0.401 108.929 108.800 -0.454 0.000 2.350 575 G HA2 0.033 3.993 3.960 -0.001 0.000 0.282 575 G HA3 0.033 3.993 3.960 -0.001 0.000 0.282 575 G C -2.076 172.489 174.900 -0.559 0.000 1.314 575 G CA -0.969 43.517 45.100 -1.023 0.000 0.915 575 G HN 0.252 nan 8.290 nan 0.000 0.499 576 W N 0.424 121.553 121.300 -0.285 0.000 2.261 576 W HA 0.529 5.188 4.660 -0.001 0.000 0.323 576 W C 0.816 177.409 176.519 0.123 0.000 1.243 576 W CA 0.105 57.504 57.345 0.089 0.000 1.210 576 W CB 1.529 31.128 29.460 0.232 0.000 1.149 576 W HN 0.603 nan 8.180 nan 0.000 0.562 577 V N 0.761 120.877 119.914 0.338 0.000 3.074 577 V HA 0.672 4.791 4.120 -0.001 0.000 0.314 577 V C -2.644 173.341 176.094 -0.181 0.000 1.117 577 V CA -3.618 58.669 62.300 -0.022 0.000 1.014 577 V CB 1.562 33.286 31.823 -0.165 0.000 1.057 577 V HN 0.260 nan 8.190 nan 0.000 0.438 578 P HA 0.220 nan 4.420 nan 0.000 0.268 578 P C -0.595 176.546 177.300 -0.266 0.000 1.205 578 P CA -0.022 62.682 63.100 -0.660 0.000 0.771 578 P CB 0.222 31.197 31.700 -1.208 0.000 0.858 579 K N 1.652 122.033 120.400 -0.032 0.000 2.414 579 K HA 0.010 4.329 4.320 -0.001 0.000 0.272 579 K C 0.581 177.049 176.600 -0.220 0.000 0.993 579 K CA -0.039 56.212 56.287 -0.060 0.000 0.964 579 K CB 0.291 32.802 32.500 0.018 0.000 0.925 579 K HN 0.489 nan 8.250 nan 0.000 0.487 580 E N 0.392 120.308 120.200 -0.473 0.000 2.417 580 E HA -0.032 4.317 4.350 -0.001 0.000 0.261 580 E C 0.714 177.116 176.600 -0.330 0.000 1.000 580 E CA 0.864 56.770 56.400 -0.824 0.000 0.919 580 E CB 0.178 29.266 29.700 -1.020 0.000 0.955 580 E HN 0.753 nan 8.360 nan 0.000 0.455 581 G N 4.546 113.222 108.800 -0.207 0.000 2.234 581 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.235 581 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.235 581 G C 0.633 175.543 174.900 0.016 0.000 0.997 581 G CA 0.244 45.307 45.100 -0.061 0.000 0.623 581 G HN 0.662 nan 8.290 nan 0.000 0.514 582 D N -0.189 120.228 120.400 0.028 0.000 2.349 582 D HA 0.241 4.880 4.640 -0.001 0.000 0.214 582 D C 0.776 177.190 176.300 0.189 0.000 1.063 582 D CA 0.114 54.199 54.000 0.142 0.000 0.847 582 D CB 0.610 41.538 40.800 0.214 0.000 0.933 582 D HN 0.452 nan 8.370 nan 0.000 0.513 583 L N 1.414 122.685 121.223 0.080 0.000 2.282 583 L HA 0.284 4.623 4.340 -0.001 0.000 0.288 583 L C -0.425 176.536 176.870 0.151 0.000 1.033 583 L CA -0.594 54.309 54.840 0.104 0.000 0.807 583 L CB 1.473 43.565 42.059 0.056 0.000 1.209 583 L HN -0.314 nan 8.230 nan 0.000 0.423 584 D N 4.904 125.400 120.400 0.161 0.000 2.342 584 D HA 0.113 4.752 4.640 -0.001 0.000 0.260 584 D C 0.419 176.816 176.300 0.162 0.000 1.278 584 D CA 0.379 54.464 54.000 0.141 0.000 0.910 584 D CB 0.578 41.448 40.800 0.116 0.000 1.079 584 D HN 0.666 nan 8.370 nan 0.000 0.496 585 L N 2.813 124.121 121.223 0.141 0.000 2.808 585 L HA 0.299 4.639 4.340 -0.001 0.000 0.246 585 L C 1.371 178.281 176.870 0.066 0.000 1.153 585 L CA -0.451 54.466 54.840 0.129 0.000 0.956 585 L CB 0.578 42.736 42.059 0.165 0.000 1.270 585 L HN 0.338 nan 8.230 nan 0.000 0.528 586 G N -0.385 108.454 108.800 0.065 0.000 2.343 586 G HA2 0.362 4.321 3.960 -0.001 0.000 0.254 586 G HA3 0.362 4.321 3.960 -0.001 0.000 0.254 586 G C 1.063 175.983 174.900 0.033 0.000 1.277 586 G CA 0.661 45.789 45.100 0.046 0.000 0.909 586 G HN 0.391 nan 8.290 nan 0.000 0.502 587 G N 1.165 109.974 108.800 0.014 0.000 2.175 587 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.244 587 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.244 587 G C 0.431 175.302 174.900 -0.048 0.000 0.982 587 G CA 0.240 45.341 45.100 0.001 0.000 0.641 587 G HN 0.865 nan 8.290 nan 0.000 0.527 588 L N 1.644 122.826 121.223 -0.069 0.000 2.784 588 L HA 0.315 4.654 4.340 -0.001 0.000 0.241 588 L C -2.221 174.612 176.870 -0.063 0.000 1.352 588 L CA -1.739 53.020 54.840 -0.135 0.000 0.911 588 L CB 1.160 43.085 42.059 -0.222 0.000 1.227 588 L HN -0.074 nan 8.230 nan 0.000 0.501 589 P HA 0.196 nan 4.420 nan 0.000 0.268 589 P C 0.978 178.269 177.300 -0.016 0.000 1.204 589 P CA 0.566 63.657 63.100 -0.014 0.000 0.768 589 P CB 1.141 32.833 31.700 -0.012 0.000 0.842 590 G N 1.089 109.893 108.800 0.006 0.000 2.234 590 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.235 590 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.235 590 G C 0.041 174.956 174.900 0.025 0.000 0.997 590 G CA -0.122 44.985 45.100 0.012 0.000 0.623 590 G HN 0.540 nan 8.290 nan 0.000 0.514 591 V N 2.020 121.951 119.914 0.027 0.000 2.521 591 V HA 0.430 4.549 4.120 -0.001 0.000 0.286 591 V C 0.184 176.349 176.094 0.118 0.000 1.034 591 V CA 0.103 62.444 62.300 0.068 0.000 1.045 591 V CB 1.606 33.470 31.823 0.069 0.000 0.974 591 V HN 0.362 nan 8.190 nan 0.000 0.480 592 D N 3.297 123.770 120.400 0.122 0.000 2.412 592 D HA 0.123 4.762 4.640 -0.001 0.000 0.224 592 D C 0.571 176.981 176.300 0.183 0.000 1.093 592 D CA -0.472 53.611 54.000 0.140 0.000 0.850 592 D CB 0.801 41.658 40.800 0.095 0.000 1.046 592 D HN 0.554 nan 8.370 nan 0.000 0.507 593 Y N 3.550 123.924 120.300 0.124 0.000 2.193 593 Y HA -0.317 4.232 4.550 -0.001 0.000 0.285 593 Y C 2.164 178.189 175.900 0.209 0.000 1.166 593 Y CA 2.443 60.658 58.100 0.192 0.000 1.181 593 Y CB -0.002 38.554 38.460 0.160 0.000 0.976 593 Y HN 0.452 nan 8.280 nan 0.000 0.520 594 S N -0.555 115.302 115.700 0.262 0.000 2.419 594 S HA -0.232 4.237 4.470 -0.001 0.000 0.233 594 S C 1.702 176.316 174.600 0.023 0.000 1.016 594 S CA 1.435 59.730 58.200 0.160 0.000 0.974 594 S CB -0.466 62.839 63.200 0.176 0.000 0.786 594 S HN 0.712 nan 8.310 nan 0.000 0.492 595 Q N 0.242 120.041 119.800 -0.001 0.000 2.398 595 Q HA 0.300 4.639 4.340 -0.001 0.000 0.204 595 Q C 1.904 177.809 176.000 -0.159 0.000 0.932 595 Q CA 0.407 56.181 55.803 -0.050 0.000 0.916 595 Q CB -0.180 28.553 28.738 -0.008 0.000 1.024 595 Q HN 0.564 nan 8.270 nan 0.000 0.504 596 L N -0.953 120.109 121.223 -0.269 0.000 2.240 596 L HA -0.004 4.335 4.340 -0.001 0.000 0.211 596 L C 0.312 176.555 176.870 -1.045 0.000 1.106 596 L CA 0.730 55.182 54.840 -0.647 0.000 0.793 596 L CB 0.242 41.831 42.059 -0.783 0.000 0.927 596 L HN 0.113 nan 8.230 nan 0.000 0.446 597 F N 0.371 120.102 119.950 -0.366 0.000 2.542 597 F HA 0.320 4.846 4.527 -0.001 0.000 0.323 597 F C -2.033 173.677 175.800 -0.149 0.000 1.411 597 F CA -2.224 55.588 58.000 -0.313 0.000 1.124 597 F CB 0.072 38.764 39.000 -0.513 0.000 1.331 597 F HN -0.136 nan 8.300 nan 0.000 0.560 598 P HA 0.097 nan 4.420 nan 0.000 0.272 598 P C -0.191 177.177 177.300 0.113 0.000 1.223 598 P CA -0.039 63.069 63.100 0.014 0.000 0.784 598 P CB 1.293 32.950 31.700 -0.073 0.000 0.923 599 M N 2.077 121.763 119.600 0.143 0.000 2.067 599 M HA 0.230 4.709 4.480 -0.001 0.000 0.214 599 M C -0.543 175.897 176.300 0.233 0.000 0.891 599 M CA -0.203 55.225 55.300 0.213 0.000 0.697 599 M CB 0.142 32.830 32.600 0.146 0.000 1.616 599 M HN 0.313 nan 8.290 nan 0.000 0.354 600 E N 1.016 121.403 120.200 0.312 0.000 2.055 600 E HA 0.182 4.532 4.350 -0.001 0.000 0.274 600 E C 0.790 177.602 176.600 0.354 0.000 0.949 600 E CA -0.248 56.298 56.400 0.243 0.000 0.775 600 E CB 2.106 31.883 29.700 0.128 0.000 1.097 600 E HN 0.386 nan 8.360 nan 0.000 0.404 601 K N 2.958 123.510 120.400 0.254 0.000 2.063 601 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 601 K C 1.831 178.550 176.600 0.199 0.000 1.048 601 K CA 1.730 58.160 56.287 0.238 0.000 0.928 601 K CB -0.169 32.417 32.500 0.144 0.000 0.713 601 K HN 0.628 nan 8.250 nan 0.000 0.442 602 G N 0.504 109.388 108.800 0.139 0.000 2.440 602 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.218 602 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.218 602 G C 1.347 176.276 174.900 0.049 0.000 1.154 602 G CA 0.795 45.944 45.100 0.083 0.000 0.767 602 G HN 0.442 nan 8.290 nan 0.000 0.552 603 F N 0.044 119.943 119.950 -0.085 0.000 2.102 603 F HA -0.038 4.489 4.527 -0.001 0.000 0.298 603 F C 2.352 177.955 175.800 -0.329 0.000 1.105 603 F CA 1.513 59.354 58.000 -0.264 0.000 1.239 603 F CB -0.143 38.598 39.000 -0.432 0.000 0.991 603 F HN 0.211 nan 8.300 nan 0.000 0.474 604 W N 1.046 122.346 121.300 0.001 0.000 2.436 604 W HA -0.045 4.614 4.660 -0.001 0.000 0.284 604 W C 2.353 178.797 176.519 -0.124 0.000 1.225 604 W CA 1.163 58.457 57.345 -0.085 0.000 1.271 604 W CB -0.446 29.064 29.460 0.083 0.000 1.114 604 W HN 0.040 nan 8.180 nan 0.000 0.559 605 E N 0.208 120.468 120.200 0.099 0.000 2.077 605 E HA -0.266 4.083 4.350 -0.001 0.000 0.193 605 E C 1.827 178.394 176.600 -0.054 0.000 0.989 605 E CA 1.552 57.975 56.400 0.037 0.000 0.800 605 E CB -0.158 29.564 29.700 0.037 0.000 0.746 605 E HN 0.158 nan 8.360 nan 0.000 0.452 606 E N 1.162 121.265 120.200 -0.161 0.000 2.107 606 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 606 E C 1.818 178.252 176.600 -0.277 0.000 0.982 606 E CA 1.184 57.459 56.400 -0.210 0.000 0.809 606 E CB 0.015 29.566 29.700 -0.249 0.000 0.756 606 E HN 0.079 nan 8.360 nan 0.000 0.459 607 E N -0.562 119.361 120.200 -0.462 0.000 2.110 607 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 607 E C 1.855 178.387 176.600 -0.113 0.000 0.988 607 E CA 1.475 57.617 56.400 -0.430 0.000 0.804 607 E CB -0.526 28.745 29.700 -0.715 0.000 0.745 607 E HN 0.378 nan 8.360 nan 0.000 0.458 608 C N 0.114 119.413 119.300 -0.002 0.000 2.440 608 C HA 0.036 4.496 4.460 -0.001 0.000 0.278 608 C C 2.537 177.543 174.990 0.026 0.000 1.295 608 C CA 0.607 59.669 59.018 0.074 0.000 1.738 608 C CB -0.868 26.934 27.740 0.104 0.000 1.987 608 C HN 0.436 nan 8.230 nan 0.000 0.492 609 R N 0.474 120.967 120.500 -0.012 0.000 2.073 609 R HA -0.164 4.175 4.340 -0.001 0.000 0.234 609 R C 2.363 178.652 176.300 -0.018 0.000 1.134 609 R CA 1.459 57.552 56.100 -0.012 0.000 0.952 609 R CB -0.367 29.918 30.300 -0.026 0.000 0.850 609 R HN 0.675 nan 8.270 nan 0.000 0.433 610 Q N 0.373 120.148 119.800 -0.041 0.000 2.084 610 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 610 Q C 2.274 178.261 176.000 -0.022 0.000 0.978 610 Q CA 1.196 56.988 55.803 -0.018 0.000 0.844 610 Q CB -0.075 28.641 28.738 -0.036 0.000 0.898 610 Q HN 0.350 nan 8.270 nan 0.000 0.426 611 L N 0.080 121.267 121.223 -0.061 0.000 2.093 611 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 611 L C 2.652 179.366 176.870 -0.261 0.000 1.085 611 L CA 1.042 55.741 54.840 -0.235 0.000 0.755 611 L CB -0.296 41.657 42.059 -0.176 0.000 0.904 611 L HN 0.163 nan 8.230 nan 0.000 0.435 612 R N 0.197 120.677 120.500 -0.034 0.000 2.081 612 R HA -0.227 4.112 4.340 -0.001 0.000 0.235 612 R C 2.259 178.584 176.300 0.041 0.000 1.131 612 R CA 1.814 57.952 56.100 0.064 0.000 0.960 612 R CB -0.109 30.233 30.300 0.069 0.000 0.856 612 R HN 0.351 nan 8.270 nan 0.000 0.436 613 E N -0.801 119.405 120.200 0.010 0.000 2.072 613 E HA -0.244 4.105 4.350 -0.001 0.000 0.191 613 E C 1.729 178.333 176.600 0.007 0.000 0.985 613 E CA 1.143 57.552 56.400 0.015 0.000 0.801 613 E CB -0.224 29.485 29.700 0.016 0.000 0.750 613 E HN 0.420 nan 8.360 nan 0.000 0.452 614 Y N 0.341 120.520 120.300 -0.202 0.000 2.128 614 Y HA -0.286 4.263 4.550 -0.001 0.000 0.284 614 Y C 1.720 177.584 175.900 -0.060 0.000 1.154 614 Y CA 2.014 59.932 58.100 -0.302 0.000 1.149 614 Y CB -0.706 37.258 38.460 -0.828 0.000 0.976 614 Y HN 0.151 nan 8.280 nan 0.000 0.505 615 Y N -0.630 119.589 120.300 -0.137 0.000 2.181 615 Y HA -0.161 4.389 4.550 -0.001 0.000 0.288 615 Y C 2.730 178.585 175.900 -0.074 0.000 1.146 615 Y CA 0.362 58.374 58.100 -0.147 0.000 1.164 615 Y CB -0.726 37.691 38.460 -0.073 0.000 0.982 615 Y HN 0.237 nan 8.280 nan 0.000 0.515 616 G N -0.056 108.811 108.800 0.111 0.000 2.421 616 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 616 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 616 G C 1.475 176.378 174.900 0.006 0.000 1.171 616 G CA 0.961 46.095 45.100 0.056 0.000 0.775 616 G HN 0.239 nan 8.290 nan 0.000 0.543 617 E N 0.751 120.933 120.200 -0.031 0.000 2.072 617 E HA -0.037 4.312 4.350 -0.001 0.000 0.190 617 E C 2.198 178.733 176.600 -0.109 0.000 0.982 617 E CA 0.939 57.305 56.400 -0.057 0.000 0.803 617 E CB -0.217 29.456 29.700 -0.045 0.000 0.755 617 E HN 0.504 nan 8.360 nan 0.000 0.453 618 N N -1.276 117.309 118.700 -0.191 0.000 2.414 618 N HA 0.082 4.821 4.740 -0.001 0.000 0.177 618 N C 1.080 176.338 175.510 -0.421 0.000 1.062 618 N CA 0.266 53.117 53.050 -0.331 0.000 0.890 618 N CB 0.228 38.398 38.487 -0.527 0.000 1.070 618 N HN 0.002 nan 8.380 nan 0.000 0.454 619 F N -0.119 119.692 119.950 -0.231 0.000 2.592 619 F HA 0.378 4.905 4.527 -0.001 0.000 0.280 619 F C 1.921 177.646 175.800 -0.124 0.000 1.083 619 F CA 0.457 58.353 58.000 -0.173 0.000 1.365 619 F CB -0.336 38.566 39.000 -0.164 0.000 1.100 619 F HN -0.006 nan 8.300 nan 0.000 0.633 620 G N 1.295 110.151 108.800 0.092 0.000 2.634 620 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.309 620 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.309 620 G C 1.330 176.248 174.900 0.030 0.000 1.265 620 G CA 0.684 45.804 45.100 0.033 0.000 0.998 620 G HN 0.675 nan 8.290 nan 0.000 0.551 621 A N -0.871 121.952 122.820 0.005 0.000 2.172 621 A HA 0.190 4.509 4.320 -0.001 0.000 0.216 621 A C 1.818 179.405 177.584 0.005 0.000 1.154 621 A CA 2.172 54.208 52.037 -0.002 0.000 0.701 621 A CB -0.263 18.729 19.000 -0.012 0.000 0.789 621 A HN 0.542 nan 8.150 nan 0.000 0.465 622 D N -0.909 119.506 120.400 0.025 0.000 2.355 622 D HA 0.073 4.712 4.640 -0.001 0.000 0.218 622 D C 0.330 176.681 176.300 0.085 0.000 1.004 622 D CA 0.068 54.096 54.000 0.047 0.000 0.880 622 D CB -0.105 40.713 40.800 0.029 0.000 0.911 622 D HN 0.369 nan 8.370 nan 0.000 0.528 623 L N 2.162 123.417 121.223 0.053 0.000 2.410 623 L HA 0.205 4.544 4.340 -0.001 0.000 0.273 623 L C -2.233 174.575 176.870 -0.103 0.000 1.144 623 L CA -1.213 53.564 54.840 -0.105 0.000 0.863 623 L CB 0.388 42.301 42.059 -0.244 0.000 1.140 623 L HN -0.245 nan 8.230 nan 0.000 0.463 624 P HA 0.088 nan 4.420 nan 0.000 0.268 624 P C -0.028 177.222 177.300 -0.083 0.000 1.205 624 P CA -0.269 62.796 63.100 -0.058 0.000 0.771 624 P CB 0.606 32.292 31.700 -0.023 0.000 0.858 625 R N 3.161 123.632 120.500 -0.047 0.000 2.117 625 R HA -0.195 4.144 4.340 -0.001 0.000 0.243 625 R C 1.096 177.365 176.300 -0.052 0.000 1.143 625 R CA 2.019 58.090 56.100 -0.048 0.000 0.968 625 R CB -1.250 29.034 30.300 -0.026 0.000 0.863 625 R HN 0.395 nan 8.270 nan 0.000 0.444 626 D N -0.607 119.777 120.400 -0.026 0.000 2.218 626 D HA -0.104 4.535 4.640 -0.001 0.000 0.204 626 D C 1.799 178.077 176.300 -0.037 0.000 0.976 626 D CA 1.343 55.336 54.000 -0.011 0.000 0.853 626 D CB 0.019 40.845 40.800 0.043 0.000 0.939 626 D HN 0.163 nan 8.370 nan 0.000 0.481 627 V N 0.780 120.648 119.914 -0.076 0.000 2.323 627 V HA -0.205 3.915 4.120 -0.001 0.000 0.244 627 V C 2.302 178.303 176.094 -0.155 0.000 1.041 627 V CA 1.151 63.390 62.300 -0.102 0.000 1.025 627 V CB -0.362 31.315 31.823 -0.243 0.000 0.656 627 V HN 0.131 nan 8.190 nan 0.000 0.451 628 M N 1.316 120.805 119.600 -0.185 0.000 2.149 628 M HA -0.090 4.389 4.480 -0.001 0.000 0.261 628 M C 2.015 178.249 176.300 -0.110 0.000 1.064 628 M CA 2.117 57.342 55.300 -0.126 0.000 1.102 628 M CB -0.848 31.694 32.600 -0.097 0.000 1.369 628 M HN 0.264 nan 8.290 nan 0.000 0.408 629 A N -0.459 122.295 122.820 -0.110 0.000 1.933 629 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 629 A C 2.009 179.484 177.584 -0.181 0.000 1.175 629 A CA 1.706 53.676 52.037 -0.111 0.000 0.628 629 A CB -0.694 18.260 19.000 -0.075 0.000 0.814 629 A HN 0.550 nan 8.150 nan 0.000 0.444 630 E N -0.462 119.583 120.200 -0.259 0.000 2.106 630 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 630 E C 1.966 178.097 176.600 -0.782 0.000 0.984 630 E CA 1.045 57.145 56.400 -0.500 0.000 0.806 630 E CB -0.508 28.869 29.700 -0.537 0.000 0.750 630 E HN 0.535 nan 8.360 nan 0.000 0.458 631 L N 1.779 122.637 121.223 -0.608 0.000 2.017 631 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 631 L C 1.908 178.685 176.870 -0.155 0.000 1.073 631 L CA 1.853 56.517 54.840 -0.292 0.000 0.745 631 L CB -0.433 41.708 42.059 0.136 0.000 0.894 631 L HN 0.006 nan 8.230 nan 0.000 0.432 632 E N -0.545 119.581 120.200 -0.124 0.000 2.118 632 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 632 E C 2.070 178.604 176.600 -0.109 0.000 0.992 632 E CA 1.050 57.400 56.400 -0.084 0.000 0.804 632 E CB -0.557 29.101 29.700 -0.070 0.000 0.741 632 E HN 0.700 nan 8.360 nan 0.000 0.458 633 G N 1.362 110.063 108.800 -0.165 0.000 2.421 633 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.216 633 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.216 633 G C 1.539 176.347 174.900 -0.155 0.000 1.171 633 G CA 0.629 45.630 45.100 -0.166 0.000 0.775 633 G HN 0.152 nan 8.290 nan 0.000 0.543 634 L N 0.830 121.942 121.223 -0.186 0.000 2.012 634 L HA -0.027 4.313 4.340 -0.001 0.000 0.210 634 L C 2.651 179.490 176.870 -0.052 0.000 1.073 634 L CA 2.262 57.032 54.840 -0.118 0.000 0.748 634 L CB -0.807 41.211 42.059 -0.069 0.000 0.891 634 L HN 0.394 nan 8.230 nan 0.000 0.431 635 E N -0.786 119.396 120.200 -0.031 0.000 2.097 635 E HA -0.306 4.043 4.350 -0.001 0.000 0.196 635 E C 2.067 178.658 176.600 -0.014 0.000 1.000 635 E CA 1.471 57.871 56.400 0.001 0.000 0.804 635 E CB -0.111 29.593 29.700 0.005 0.000 0.740 635 E HN 0.525 nan 8.360 nan 0.000 0.454 636 E N 1.008 121.185 120.200 -0.039 0.000 2.072 636 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 636 E C 1.858 178.432 176.600 -0.044 0.000 0.985 636 E CA 1.217 57.592 56.400 -0.041 0.000 0.801 636 E CB 0.063 29.731 29.700 -0.054 0.000 0.750 636 E HN 0.113 nan 8.360 nan 0.000 0.452 637 R N -0.298 120.165 120.500 -0.061 0.000 2.092 637 R HA -0.042 4.297 4.340 -0.001 0.000 0.231 637 R C 2.399 178.676 176.300 -0.039 0.000 1.119 637 R CA 1.284 57.346 56.100 -0.064 0.000 0.970 637 R CB -0.376 29.871 30.300 -0.089 0.000 0.864 637 R HN 0.113 nan 8.270 nan 0.000 0.440 638 V N 1.147 121.047 119.914 -0.022 0.000 2.343 638 V HA -0.243 3.877 4.120 -0.001 0.000 0.247 638 V C 2.487 178.601 176.094 0.033 0.000 1.051 638 V CA 1.660 63.974 62.300 0.024 0.000 1.036 638 V CB -0.581 31.289 31.823 0.078 0.000 0.654 638 V HN 0.309 nan 8.190 nan 0.000 0.451 639 R N 0.405 120.915 120.500 0.017 0.000 2.117 639 R HA -0.203 4.137 4.340 -0.001 0.000 0.243 639 R C 2.057 178.364 176.300 0.010 0.000 1.143 639 R CA 1.708 57.817 56.100 0.015 0.000 0.968 639 R CB -0.103 30.199 30.300 0.003 0.000 0.863 639 R HN 0.455 nan 8.270 nan 0.000 0.444 640 K N 0.071 120.471 120.400 -0.000 0.000 2.444 640 K HA 0.056 4.375 4.320 -0.001 0.000 0.193 640 K C 0.867 177.470 176.600 0.005 0.000 1.024 640 K CA 0.069 56.354 56.287 -0.003 0.000 1.077 640 K CB 0.234 32.723 32.500 -0.019 0.000 0.833 640 K HN 0.310 nan 8.250 nan 0.000 0.517 641 M N 0.000 119.610 119.600 0.017 0.000 2.572 641 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 641 M CA 0.000 55.317 55.300 0.028 0.000 0.988 641 M CB 0.000 32.621 32.600 0.035 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411