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 1unn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKFTVEREHL LKPLQQVSGP LGGRPTLPIL GNLLLQVADG TLSLTGTDLE DATA SEQUENCE MEMVARVALV QPHEPGATTV PARKFFDICR GLPEGAEIAV QLEGERMLVR DATA SEQUENCE SGRSRFSLST LPAADFPNLD DWQSEVEFTL PQATMKRLIE ATQFSMAHQD DATA SEQUENCE VRYYLNGMLF ETEGEELRTV ATDGHRLAVC SMPIGQSLPS HSVIVPRKGV DATA SEQUENCE IELMRMLDGG DNPLRVQIGS NNIRAHVGDF IFTSKLVDGR FPDYRRVLPK DATA SEQUENCE NPDKHLEAGC DLLKQAFARA AILSNEKFRG VRLYVSENQL KITANNPEQE DATA SEQUENCE EAEEILDVTY SGAEMEIGFN VSYVLDVLNA LKCENVRMML TDSVSSVQIE DATA SEQUENCE DAASQSAAYV VMPMRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.338 176.300 0.063 0.000 1.140 1 M CA 0.000 55.341 55.300 0.069 0.000 0.988 1 M CB 0.000 32.643 32.600 0.072 0.000 1.302 2 K N 4.874 125.344 120.400 0.116 0.000 2.527 2 K HA 0.825 5.145 4.320 0.000 0.000 0.260 2 K C -1.622 175.115 176.600 0.229 0.000 0.937 2 K CA -0.655 55.666 56.287 0.057 0.000 0.826 2 K CB 2.831 35.344 32.500 0.021 0.000 1.359 2 K HN 0.581 nan 8.250 nan 0.000 0.434 3 F N -2.327 117.667 119.950 0.073 0.000 2.741 3 F HA 0.608 5.135 4.527 0.001 0.000 0.313 3 F C -1.345 174.507 175.800 0.086 0.000 1.153 3 F CA -0.862 57.195 58.000 0.095 0.000 0.931 3 F CB 1.930 40.972 39.000 0.070 0.000 1.335 3 F HN 0.252 nan 8.300 nan 0.000 0.460 4 T N 1.876 116.633 114.554 0.338 0.000 2.937 4 T HA 0.668 5.018 4.350 0.000 0.000 0.297 4 T C -1.491 173.387 174.700 0.296 0.000 0.991 4 T CA -0.584 61.646 62.100 0.218 0.000 0.990 4 T CB 1.608 70.547 68.868 0.119 0.000 0.991 4 T HN 0.661 nan 8.240 nan 0.000 0.440 5 V N 2.941 123.045 119.914 0.317 0.000 2.841 5 V HA 0.537 4.657 4.120 0.000 0.000 0.310 5 V C -0.263 175.943 176.094 0.188 0.000 1.090 5 V CA -1.312 61.150 62.300 0.270 0.000 0.930 5 V CB 2.254 34.259 31.823 0.303 0.000 1.014 5 V HN 0.966 nan 8.190 nan 0.000 0.425 6 E N 3.641 123.939 120.200 0.164 0.000 2.373 6 E HA 0.299 4.650 4.350 0.000 0.000 0.263 6 E C 1.102 177.677 176.600 -0.040 0.000 1.073 6 E CA -0.318 56.105 56.400 0.039 0.000 0.894 6 E CB 0.838 30.532 29.700 -0.010 0.000 1.008 6 E HN 0.556 nan 8.360 nan 0.000 0.420 7 R N 1.767 122.226 120.500 -0.067 0.000 2.113 7 R HA -0.275 4.065 4.340 0.000 0.000 0.244 7 R C 1.162 177.395 176.300 -0.113 0.000 1.142 7 R CA 2.222 58.271 56.100 -0.085 0.000 0.953 7 R CB -0.125 30.117 30.300 -0.096 0.000 0.860 7 R HN 0.720 nan 8.270 nan 0.000 0.438 8 E N -0.815 119.269 120.200 -0.194 0.000 2.338 8 E HA -0.123 4.228 4.350 0.000 0.000 0.197 8 E C 1.388 177.893 176.600 -0.158 0.000 1.007 8 E CA 1.203 57.491 56.400 -0.186 0.000 0.849 8 E CB -0.007 29.572 29.700 -0.203 0.000 0.774 8 E HN 0.641 nan 8.360 nan 0.000 0.506 9 H N -1.318 117.764 119.070 0.021 0.000 2.551 9 H HA 0.050 4.606 4.556 0.000 0.000 0.266 9 H C 0.988 176.326 175.328 0.018 0.000 0.977 9 H CA 0.041 56.100 56.048 0.018 0.000 1.163 9 H CB 0.447 30.213 29.762 0.006 0.000 1.381 9 H HN 0.032 nan 8.280 nan 0.000 0.581 10 L N -0.737 120.540 121.223 0.090 0.000 2.425 10 L HA 0.005 4.345 4.340 0.000 0.000 0.215 10 L C 1.618 178.537 176.870 0.083 0.000 1.065 10 L CA 0.648 55.529 54.840 0.068 0.000 0.842 10 L CB -0.271 41.799 42.059 0.017 0.000 1.033 10 L HN 0.191 nan 8.230 nan 0.000 0.474 11 L N 0.156 121.422 121.223 0.071 0.000 1.943 11 L HA -0.250 4.090 4.340 0.000 0.000 0.215 11 L C 2.580 179.584 176.870 0.223 0.000 1.074 11 L CA 1.932 56.867 54.840 0.158 0.000 0.759 11 L CB -1.022 41.096 42.059 0.099 0.000 0.888 11 L HN 0.243 nan 8.230 nan 0.000 0.433 12 K N -0.665 119.838 120.400 0.172 0.000 2.034 12 K HA -0.207 4.113 4.320 0.000 0.000 0.214 12 K C -0.430 176.320 176.600 0.251 0.000 1.051 12 K CA 2.126 58.516 56.287 0.171 0.000 0.931 12 K CB -1.184 31.415 32.500 0.165 0.000 0.715 12 K HN 0.194 nan 8.250 nan 0.000 0.446 13 P HA -0.202 nan 4.420 nan 0.000 0.215 13 P C 1.231 178.656 177.300 0.208 0.000 1.163 13 P CA 1.502 64.784 63.100 0.304 0.000 0.894 13 P CB -0.039 31.706 31.700 0.076 0.000 0.791 14 L N -1.223 120.095 121.223 0.160 0.000 2.042 14 L HA -0.239 4.101 4.340 0.000 0.000 0.210 14 L C 2.718 179.572 176.870 -0.028 0.000 1.076 14 L CA 1.632 56.552 54.840 0.133 0.000 0.749 14 L CB -0.918 41.292 42.059 0.252 0.000 0.893 14 L HN 0.027 nan 8.230 nan 0.000 0.432 15 Q N -0.863 118.877 119.800 -0.101 0.000 2.084 15 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 15 Q C 2.402 178.321 176.000 -0.134 0.000 0.978 15 Q CA 1.367 56.993 55.803 -0.295 0.000 0.844 15 Q CB 0.001 28.619 28.738 -0.200 0.000 0.898 15 Q HN 0.422 nan 8.270 nan 0.000 0.426 16 Q N -0.390 119.409 119.800 -0.002 0.000 2.079 16 Q HA -0.114 4.227 4.340 0.000 0.000 0.200 16 Q C 2.260 178.309 176.000 0.081 0.000 0.974 16 Q CA 1.643 57.462 55.803 0.027 0.000 0.840 16 Q CB -0.242 28.555 28.738 0.097 0.000 0.898 16 Q HN 0.459 nan 8.270 nan 0.000 0.430 17 V N -2.512 117.475 119.914 0.123 0.000 3.041 17 V HA 0.018 4.139 4.120 0.000 0.000 0.260 17 V C 1.810 177.954 176.094 0.083 0.000 1.105 17 V CA 1.338 63.712 62.300 0.124 0.000 1.125 17 V CB -0.379 31.517 31.823 0.122 0.000 0.730 17 V HN 0.027 nan 8.190 nan 0.000 0.479 18 S N 1.331 117.043 115.700 0.020 0.000 2.555 18 S HA 0.126 4.596 4.470 0.000 0.000 0.230 18 S C 1.986 176.574 174.600 -0.019 0.000 0.978 18 S CA 0.885 59.078 58.200 -0.011 0.000 0.934 18 S CB -0.263 62.873 63.200 -0.107 0.000 0.766 18 S HN 0.819 nan 8.310 nan 0.000 0.533 19 G N 3.171 111.961 108.800 -0.017 0.000 2.514 19 G HA2 -0.191 3.770 3.960 0.000 0.000 0.217 19 G HA3 -0.191 3.770 3.960 0.000 0.000 0.217 19 G C -0.897 174.010 174.900 0.012 0.000 1.198 19 G CA 0.807 45.892 45.100 -0.026 0.000 0.780 19 G HN 0.436 nan 8.290 nan 0.000 0.565 20 P HA 0.041 nan 4.420 nan 0.000 0.228 20 P C 1.564 178.901 177.300 0.062 0.000 1.151 20 P CA 0.335 63.486 63.100 0.084 0.000 0.770 20 P CB 0.020 31.804 31.700 0.140 0.000 0.786 21 L N -1.196 120.059 121.223 0.054 0.000 2.313 21 L HA 0.157 4.497 4.340 0.000 0.000 0.214 21 L C 1.424 178.315 176.870 0.036 0.000 1.119 21 L CA 0.533 55.404 54.840 0.051 0.000 0.809 21 L CB -1.727 40.369 42.059 0.061 0.000 0.933 21 L HN -0.054 nan 8.230 nan 0.000 0.449 22 G N -0.005 108.809 108.800 0.023 0.000 2.938 22 G HA2 0.127 4.087 3.960 0.000 0.000 0.324 22 G HA3 0.127 4.087 3.960 0.000 0.000 0.324 22 G C 1.097 176.012 174.900 0.024 0.000 0.220 22 G CA 0.685 45.796 45.100 0.018 0.000 1.222 22 G HN 0.760 nan 8.290 nan 0.000 0.274 23 G N 2.541 111.354 108.800 0.023 0.000 2.728 23 G HA2 -0.262 3.699 3.960 0.000 0.000 0.269 23 G HA3 -0.262 3.699 3.960 0.000 0.000 0.269 23 G C 0.463 175.379 174.900 0.028 0.000 1.334 23 G CA 0.754 45.869 45.100 0.024 0.000 0.974 23 G HN 1.363 nan 8.290 nan 0.000 0.550 24 R N 2.518 123.033 120.500 0.026 0.000 2.312 24 R HA 0.541 4.881 4.340 0.000 0.000 0.310 24 R C -1.967 174.348 176.300 0.024 0.000 1.064 24 R CA -1.279 54.837 56.100 0.026 0.000 0.983 24 R CB 1.066 31.380 30.300 0.023 0.000 1.139 24 R HN 0.573 nan 8.270 nan 0.000 0.536 25 P HA 0.025 nan 4.420 nan 0.000 0.270 25 P C 0.116 177.427 177.300 0.018 0.000 1.223 25 P CA -0.120 62.994 63.100 0.025 0.000 0.785 25 P CB 1.322 33.043 31.700 0.034 0.000 0.923 26 T N -1.452 113.108 114.554 0.010 0.000 3.045 26 T HA 0.190 4.541 4.350 0.000 0.000 0.239 26 T C 0.935 175.637 174.700 0.003 0.000 1.008 26 T CA 0.061 62.164 62.100 0.005 0.000 1.143 26 T CB -0.218 68.649 68.868 -0.001 0.000 0.894 26 T HN 0.212 nan 8.240 nan 0.000 0.451 27 L N 1.846 123.069 121.223 -0.001 0.000 2.331 27 L HA 0.426 4.766 4.340 0.000 0.000 0.275 27 L C -1.718 175.161 176.870 0.015 0.000 1.022 27 L CA -2.719 52.123 54.840 0.002 0.000 0.812 27 L CB 1.991 44.044 42.059 -0.011 0.000 1.257 27 L HN -0.125 nan 8.230 nan 0.000 0.435 28 P HA -0.245 nan 4.420 nan 0.000 0.217 28 P C 1.666 179.000 177.300 0.057 0.000 1.162 28 P CA 1.530 64.654 63.100 0.040 0.000 0.901 28 P CB 0.267 31.990 31.700 0.038 0.000 0.793 29 I N -1.289 119.314 120.570 0.054 0.000 2.423 29 I HA -0.213 3.957 4.170 0.000 0.000 0.254 29 I C 1.757 177.942 176.117 0.114 0.000 1.151 29 I CA 1.138 62.498 61.300 0.100 0.000 1.421 29 I CB -0.200 37.856 38.000 0.094 0.000 1.079 29 I HN -0.107 nan 8.210 nan 0.000 0.431 30 L N -0.084 121.159 121.223 0.034 0.000 2.465 30 L HA -0.044 4.296 4.340 0.000 0.000 0.224 30 L C 2.131 179.051 176.870 0.084 0.000 1.145 30 L CA 0.858 55.708 54.840 0.016 0.000 0.834 30 L CB -0.752 41.295 42.059 -0.020 0.000 0.944 30 L HN 0.325 nan 8.230 nan 0.000 0.451 31 G N -1.073 107.783 108.800 0.094 0.000 3.042 31 G HA2 0.002 3.962 3.960 0.000 0.000 0.212 31 G HA3 0.002 3.962 3.960 0.000 0.000 0.212 31 G C 0.315 175.293 174.900 0.131 0.000 1.166 31 G CA -0.190 44.969 45.100 0.099 0.000 0.767 31 G HN 0.206 nan 8.290 nan 0.000 0.546 32 N N -0.355 118.454 118.700 0.181 0.000 2.432 32 N HA 0.599 5.339 4.740 0.000 0.000 0.292 32 N C -0.812 174.828 175.510 0.217 0.000 1.193 32 N CA -0.544 52.615 53.050 0.182 0.000 0.878 32 N CB 1.828 40.426 38.487 0.184 0.000 1.252 32 N HN -0.117 nan 8.380 nan 0.000 0.520 33 L N 1.253 122.527 121.223 0.085 0.000 2.317 33 L HA 0.454 4.794 4.340 0.000 0.000 0.281 33 L C -0.461 176.228 176.870 -0.302 0.000 1.024 33 L CA -1.137 53.679 54.840 -0.040 0.000 0.810 33 L CB 1.473 43.567 42.059 0.058 0.000 1.240 33 L HN 0.294 nan 8.230 nan 0.000 0.427 34 L N 4.139 124.904 121.223 -0.763 0.000 2.313 34 L HA 0.374 4.714 4.340 0.000 0.000 0.282 34 L C -0.955 175.704 176.870 -0.351 0.000 1.092 34 L CA 0.283 54.662 54.840 -0.767 0.000 0.831 34 L CB 0.614 41.911 42.059 -1.270 0.000 1.159 34 L HN 0.330 nan 8.230 nan 0.000 0.442 35 L N 5.573 126.664 121.223 -0.220 0.000 2.346 35 L HA 0.617 4.957 4.340 0.000 0.000 0.276 35 L C -0.563 176.245 176.870 -0.103 0.000 1.006 35 L CA -0.108 54.657 54.840 -0.124 0.000 0.817 35 L CB 1.972 44.008 42.059 -0.038 0.000 1.272 35 L HN 0.644 nan 8.230 nan 0.000 0.421 36 Q N 2.402 122.138 119.800 -0.107 0.000 2.271 36 Q HA 0.624 4.964 4.340 0.000 0.000 0.268 36 Q C -1.440 174.508 176.000 -0.085 0.000 1.021 36 Q CA -0.738 55.020 55.803 -0.075 0.000 0.802 36 Q CB 2.966 31.656 28.738 -0.079 0.000 1.282 36 Q HN 0.292 nan 8.270 nan 0.000 0.431 37 V N 1.539 121.435 119.914 -0.029 0.000 2.407 37 V HA 0.838 4.959 4.120 0.000 0.000 0.278 37 V C -0.407 175.685 176.094 -0.004 0.000 1.037 37 V CA -0.373 61.913 62.300 -0.024 0.000 0.900 37 V CB 1.204 33.079 31.823 0.086 0.000 0.983 37 V HN 0.855 nan 8.190 nan 0.000 0.459 38 A N 3.507 126.311 122.820 -0.026 0.000 2.437 38 A HA 0.707 5.027 4.320 0.000 0.000 0.293 38 A C -0.318 177.266 177.584 -0.001 0.000 1.038 38 A CA 0.074 52.108 52.037 -0.005 0.000 0.708 38 A CB 1.305 20.288 19.000 -0.027 0.000 1.251 38 A HN 1.082 nan 8.150 nan 0.000 0.409 39 D N 1.486 121.912 120.400 0.044 0.000 3.307 39 D HA -0.199 4.441 4.640 0.000 0.000 0.197 39 D C 1.057 177.394 176.300 0.061 0.000 1.363 39 D CA 2.692 56.726 54.000 0.056 0.000 1.100 39 D CB -1.072 39.729 40.800 0.002 0.000 0.616 39 D HN 1.321 nan 8.370 nan 0.000 0.719 40 G N -0.694 108.093 108.800 -0.023 0.000 3.424 40 G HA2 0.434 4.394 3.960 0.000 0.000 0.263 40 G HA3 0.434 4.394 3.960 0.000 0.000 0.263 40 G C -0.355 174.379 174.900 -0.278 0.000 1.310 40 G CA 0.722 45.699 45.100 -0.206 0.000 1.089 40 G HN 0.430 nan 8.290 nan 0.000 0.534 41 T N 0.505 114.920 114.554 -0.231 0.000 2.879 41 T HA 0.377 4.727 4.350 0.000 0.000 0.290 41 T C -1.067 173.493 174.700 -0.234 0.000 0.993 41 T CA -0.510 61.458 62.100 -0.219 0.000 0.975 41 T CB 2.309 71.084 68.868 -0.155 0.000 0.981 41 T HN 0.097 nan 8.240 nan 0.000 0.439 42 L N 3.366 124.410 121.223 -0.298 0.000 2.265 42 L HA 0.665 5.005 4.340 0.000 0.000 0.288 42 L C -0.267 176.442 176.870 -0.268 0.000 1.058 42 L CA 0.215 54.843 54.840 -0.354 0.000 0.809 42 L CB 0.914 42.610 42.059 -0.606 0.000 1.179 42 L HN 0.530 nan 8.230 nan 0.000 0.429 43 S N 6.291 121.864 115.700 -0.211 0.000 2.442 43 S HA 0.689 5.160 4.470 0.000 0.000 0.297 43 S C -0.749 173.756 174.600 -0.157 0.000 1.131 43 S CA -0.620 57.477 58.200 -0.173 0.000 1.092 43 S CB 1.009 64.127 63.200 -0.136 0.000 0.998 43 S HN 0.432 nan 8.310 nan 0.000 0.478 44 L N 3.400 124.545 121.223 -0.131 0.000 2.322 44 L HA 0.632 4.972 4.340 0.000 0.000 0.281 44 L C 0.219 177.054 176.870 -0.059 0.000 1.014 44 L CA -0.237 54.553 54.840 -0.084 0.000 0.815 44 L CB 0.939 42.988 42.059 -0.018 0.000 1.247 44 L HN 0.574 nan 8.230 nan 0.000 0.421 45 T N 1.254 115.756 114.554 -0.086 0.000 2.893 45 T HA 0.783 5.133 4.350 0.000 0.000 0.293 45 T C 0.004 174.758 174.700 0.091 0.000 1.027 45 T CA -0.720 61.383 62.100 0.006 0.000 0.988 45 T CB 2.378 71.253 68.868 0.011 0.000 1.043 45 T HN 0.800 nan 8.240 nan 0.000 0.461 46 G N 0.408 109.340 108.800 0.221 0.000 2.542 46 G HA2 0.691 4.651 3.960 0.000 0.000 0.311 46 G HA3 0.691 4.651 3.960 0.000 0.000 0.311 46 G C -1.077 173.996 174.900 0.288 0.000 1.298 46 G CA -0.570 44.702 45.100 0.286 0.000 0.973 46 G HN 0.777 nan 8.290 nan 0.000 0.487 47 T N -0.932 113.770 114.554 0.248 0.000 2.821 47 T HA 0.486 4.836 4.350 0.000 0.000 0.306 47 T C -1.119 173.596 174.700 0.024 0.000 1.313 47 T CA -0.257 61.898 62.100 0.092 0.000 1.012 47 T CB 2.008 70.859 68.868 -0.029 0.000 1.298 47 T HN 0.602 nan 8.240 nan 0.000 0.502 48 D N 2.063 122.466 120.400 0.006 0.000 2.599 48 D HA 0.271 4.912 4.640 0.000 0.000 0.249 48 D C 1.548 177.823 176.300 -0.041 0.000 1.313 48 D CA -0.214 53.780 54.000 -0.010 0.000 0.815 48 D CB -0.411 40.403 40.800 0.023 0.000 1.077 48 D HN 0.573 nan 8.370 nan 0.000 0.492 49 L N -0.750 120.428 121.223 -0.076 0.000 4.977 49 L HA -0.302 4.039 4.340 0.000 0.000 0.398 49 L C 1.238 178.072 176.870 -0.061 0.000 0.818 49 L CA 1.885 56.672 54.840 -0.087 0.000 2.090 49 L CB -0.937 41.072 42.059 -0.083 0.000 1.320 49 L HN 0.155 nan 8.230 nan 0.000 0.615 50 E N 0.127 120.305 120.200 -0.037 0.000 2.190 50 E HA 0.115 4.465 4.350 0.000 0.000 0.191 50 E C 0.843 177.412 176.600 -0.051 0.000 0.978 50 E CA 1.410 57.789 56.400 -0.035 0.000 0.839 50 E CB 0.257 29.954 29.700 -0.005 0.000 0.787 50 E HN 0.724 nan 8.360 nan 0.000 0.473 51 M N -0.486 119.098 119.600 -0.026 0.000 2.644 51 M HA 0.516 4.996 4.480 0.000 0.000 0.273 51 M C -1.529 174.764 176.300 -0.012 0.000 1.253 51 M CA -0.847 54.412 55.300 -0.068 0.000 0.852 51 M CB 2.915 35.550 32.600 0.058 0.000 1.708 51 M HN -0.173 nan 8.290 nan 0.000 0.471 52 E N 1.458 121.617 120.200 -0.069 0.000 2.383 52 E HA 0.727 5.077 4.350 0.000 0.000 0.275 52 E C -1.865 174.820 176.600 0.143 0.000 0.918 52 E CA -1.019 55.422 56.400 0.067 0.000 0.764 52 E CB 2.827 32.567 29.700 0.065 0.000 1.252 52 E HN 0.758 nan 8.360 nan 0.000 0.449 53 M N 2.513 122.245 119.600 0.221 0.000 2.321 53 M HA 0.452 4.932 4.480 0.000 0.000 0.315 53 M C -2.134 174.263 176.300 0.162 0.000 1.052 53 M CA -0.693 54.761 55.300 0.257 0.000 0.936 53 M CB 2.057 34.818 32.600 0.268 0.000 1.639 53 M HN 0.484 nan 8.290 nan 0.000 0.433 54 V N 4.059 124.042 119.914 0.114 0.000 2.604 54 V HA 0.970 5.090 4.120 0.000 0.000 0.305 54 V C -0.586 175.490 176.094 -0.029 0.000 1.043 54 V CA -0.684 61.632 62.300 0.027 0.000 0.888 54 V CB 1.536 33.345 31.823 -0.024 0.000 0.995 54 V HN 0.993 nan 8.190 nan 0.000 0.429 55 A N 5.214 127.963 122.820 -0.119 0.000 2.386 55 A HA 0.896 5.216 4.320 0.000 0.000 0.311 55 A C -0.513 176.872 177.584 -0.332 0.000 1.068 55 A CA -0.807 51.007 52.037 -0.372 0.000 0.743 55 A CB 1.444 20.226 19.000 -0.364 0.000 1.258 55 A HN 0.792 nan 8.150 nan 0.000 0.429 56 R N 0.892 121.151 120.500 -0.403 0.000 2.562 56 R HA 0.643 4.984 4.340 0.000 0.000 0.298 56 R C -1.521 174.606 176.300 -0.289 0.000 0.961 56 R CA -0.662 55.268 56.100 -0.283 0.000 0.881 56 R CB 2.271 32.439 30.300 -0.220 0.000 1.159 56 R HN 0.443 nan 8.270 nan 0.000 0.450 57 V N 2.105 121.870 119.914 -0.248 0.000 2.487 57 V HA 0.426 4.547 4.120 0.000 0.000 0.298 57 V C 0.084 176.044 176.094 -0.222 0.000 1.028 57 V CA -1.013 61.153 62.300 -0.222 0.000 0.860 57 V CB 1.720 33.422 31.823 -0.202 0.000 0.991 57 V HN 0.946 nan 8.190 nan 0.000 0.427 58 A N 5.779 128.477 122.820 -0.203 0.000 2.462 58 A HA 0.655 4.975 4.320 0.000 0.000 0.243 58 A C -0.348 177.112 177.584 -0.207 0.000 1.076 58 A CA -0.047 51.873 52.037 -0.195 0.000 0.773 58 A CB 0.057 18.959 19.000 -0.163 0.000 1.010 58 A HN 0.819 nan 8.150 nan 0.000 0.493 59 L N 3.758 124.831 121.223 -0.249 0.000 2.295 59 L HA 0.281 4.622 4.340 0.000 0.000 0.281 59 L C 0.953 177.727 176.870 -0.159 0.000 1.018 59 L CA -0.405 54.285 54.840 -0.251 0.000 0.841 59 L CB 1.388 43.154 42.059 -0.488 0.000 1.218 59 L HN 0.636 nan 8.230 nan 0.000 0.424 60 V N 3.072 122.960 119.914 -0.042 0.000 2.878 60 V HA 0.058 4.178 4.120 0.000 0.000 0.250 60 V C 1.109 177.260 176.094 0.096 0.000 1.075 60 V CA 0.939 63.250 62.300 0.020 0.000 1.096 60 V CB 0.331 32.155 31.823 0.002 0.000 0.724 60 V HN 0.806 nan 8.190 nan 0.000 0.467 61 Q N 1.594 121.468 119.800 0.125 0.000 2.256 61 Q HA 0.346 4.687 4.340 0.000 0.000 0.232 61 Q C -2.371 173.809 176.000 0.299 0.000 0.965 61 Q CA -2.056 53.847 55.803 0.168 0.000 0.908 61 Q CB 0.724 29.550 28.738 0.148 0.000 1.209 61 Q HN 0.264 nan 8.270 nan 0.000 0.489 62 P HA -0.060 nan 4.420 nan 0.000 0.265 62 P C -1.278 176.132 177.300 0.184 0.000 1.193 62 P CA 0.670 63.831 63.100 0.102 0.000 0.765 62 P CB 0.455 32.169 31.700 0.023 0.000 0.823 63 H N -0.085 119.025 119.070 0.066 0.000 3.016 63 H HA 0.574 5.130 4.556 0.000 0.000 0.362 63 H C -1.051 174.315 175.328 0.064 0.000 1.233 63 H CA -0.946 55.158 56.048 0.094 0.000 1.124 63 H CB 1.766 31.593 29.762 0.109 0.000 1.850 63 H HN 0.357 nan 8.280 nan 0.000 0.549 64 E N 1.689 121.981 120.200 0.153 0.000 2.266 64 E HA 0.308 4.658 4.350 0.000 0.000 0.268 64 E C -2.743 173.932 176.600 0.125 0.000 0.879 64 E CA -2.122 54.326 56.400 0.079 0.000 0.762 64 E CB 3.175 32.899 29.700 0.041 0.000 1.199 64 E HN 0.368 nan 8.360 nan 0.000 0.422 65 P HA 0.295 nan 4.420 nan 0.000 0.274 65 P C -0.132 177.202 177.300 0.056 0.000 1.237 65 P CA 0.067 63.215 63.100 0.079 0.000 0.793 65 P CB 1.168 32.900 31.700 0.054 0.000 0.977 66 G N -0.664 108.163 108.800 0.045 0.000 2.359 66 G HA2 0.523 4.483 3.960 0.000 0.000 0.293 66 G HA3 0.523 4.483 3.960 0.000 0.000 0.293 66 G C -2.169 172.744 174.900 0.020 0.000 1.300 66 G CA 0.018 45.135 45.100 0.029 0.000 0.888 66 G HN 0.629 nan 8.290 nan 0.000 0.541 67 A N -1.332 121.491 122.820 0.006 0.000 2.604 67 A HA 1.033 5.353 4.320 0.000 0.000 0.295 67 A C -0.414 177.157 177.584 -0.023 0.000 1.067 67 A CA 0.523 52.550 52.037 -0.016 0.000 0.683 67 A CB 1.724 20.705 19.000 -0.032 0.000 1.281 67 A HN 2.182 nan 8.150 nan 0.000 0.407 68 T N -0.499 114.026 114.554 -0.049 0.000 2.693 68 T HA 0.767 5.117 4.350 0.000 0.000 0.304 68 T C -0.986 173.656 174.700 -0.097 0.000 1.471 68 T CA 0.436 62.505 62.100 -0.052 0.000 0.993 68 T CB 1.562 70.404 68.868 -0.042 0.000 1.554 68 T HN 2.062 nan 8.240 nan 0.000 0.496 69 T N -0.469 114.042 114.554 -0.071 0.000 2.893 69 T HA 0.819 5.169 4.350 0.000 0.000 0.291 69 T C -0.488 174.178 174.700 -0.056 0.000 1.028 69 T CA -0.341 61.705 62.100 -0.090 0.000 0.995 69 T CB 1.152 70.011 68.868 -0.015 0.000 1.051 69 T HN 1.253 nan 8.240 nan 0.000 0.470 70 V N -1.459 118.416 119.914 -0.065 0.000 3.114 70 V HA 0.822 4.943 4.120 0.000 0.000 0.308 70 V C -3.229 172.882 176.094 0.028 0.000 1.168 70 V CA -3.250 59.020 62.300 -0.049 0.000 1.015 70 V CB 1.627 33.342 31.823 -0.181 0.000 1.050 70 V HN 0.725 nan 8.190 nan 0.000 0.433 71 P HA 0.245 nan 4.420 nan 0.000 0.262 71 P C 0.664 178.061 177.300 0.161 0.000 1.199 71 P CA 0.710 63.874 63.100 0.106 0.000 0.763 71 P CB 1.077 32.836 31.700 0.097 0.000 0.790 72 A N 5.239 128.157 122.820 0.165 0.000 1.873 72 A HA -0.187 4.133 4.320 0.000 0.000 0.215 72 A C 2.206 179.928 177.584 0.229 0.000 1.186 72 A CA 1.248 53.408 52.037 0.204 0.000 0.616 72 A CB -0.657 18.434 19.000 0.151 0.000 0.823 72 A HN 0.319 nan 8.150 nan 0.000 0.442 73 R N 0.045 120.650 120.500 0.176 0.000 2.090 73 R HA 0.001 4.341 4.340 0.000 0.000 0.228 73 R C 1.982 178.406 176.300 0.206 0.000 1.110 73 R CA 1.549 57.765 56.100 0.194 0.000 0.973 73 R CB -0.446 29.934 30.300 0.133 0.000 0.869 73 R HN 0.590 nan 8.270 nan 0.000 0.440 74 K N -0.693 119.806 120.400 0.164 0.000 2.057 74 K HA -0.144 4.176 4.320 0.000 0.000 0.207 74 K C 1.912 178.602 176.600 0.149 0.000 1.049 74 K CA 1.427 57.790 56.287 0.126 0.000 0.931 74 K CB -0.294 32.278 32.500 0.120 0.000 0.714 74 K HN 0.040 nan 8.250 nan 0.000 0.440 75 F N 0.707 120.683 119.950 0.043 0.000 2.186 75 F HA -0.124 4.403 4.527 0.000 0.000 0.299 75 F C 1.850 177.665 175.800 0.026 0.000 1.090 75 F CA 0.736 58.746 58.000 0.017 0.000 1.307 75 F CB -0.418 38.619 39.000 0.062 0.000 1.019 75 F HN -0.043 nan 8.300 nan 0.000 0.489 76 F N 1.376 121.278 119.950 -0.081 0.000 2.102 76 F HA -0.173 4.354 4.527 0.000 0.000 0.298 76 F C 2.106 177.797 175.800 -0.181 0.000 1.105 76 F CA 2.116 60.003 58.000 -0.189 0.000 1.239 76 F CB -0.773 38.186 39.000 -0.068 0.000 0.991 76 F HN -0.103 nan 8.300 nan 0.000 0.474 77 D N 0.534 120.797 120.400 -0.227 0.000 2.178 77 D HA -0.134 4.506 4.640 0.000 0.000 0.202 77 D C 2.475 178.543 176.300 -0.386 0.000 0.974 77 D CA 1.391 55.196 54.000 -0.325 0.000 0.841 77 D CB -0.338 40.410 40.800 -0.086 0.000 0.953 77 D HN 0.365 nan 8.370 nan 0.000 0.478 78 I N 0.279 120.622 120.570 -0.379 0.000 2.127 78 I HA -0.313 3.858 4.170 0.000 0.000 0.241 78 I C 2.303 178.118 176.117 -0.504 0.000 1.075 78 I CA 0.852 61.828 61.300 -0.540 0.000 1.334 78 I CB -0.190 37.413 38.000 -0.661 0.000 1.040 78 I HN 0.084 nan 8.210 nan 0.000 0.405 79 C N 0.091 119.065 119.300 -0.543 0.000 2.435 79 C HA -0.111 4.350 4.460 0.000 0.000 0.279 79 C C 2.920 177.648 174.990 -0.437 0.000 1.321 79 C CA 0.673 59.411 59.018 -0.467 0.000 1.752 79 C CB -1.202 26.208 27.740 -0.550 0.000 1.959 79 C HN 0.469 nan 8.230 nan 0.000 0.500 80 R N 1.052 121.181 120.500 -0.618 0.000 2.115 80 R HA -0.037 4.303 4.340 0.000 0.000 0.226 80 R C 2.130 178.239 176.300 -0.319 0.000 1.100 80 R CA 1.645 57.419 56.100 -0.543 0.000 0.980 80 R CB -0.480 29.290 30.300 -0.884 0.000 0.875 80 R HN 0.507 nan 8.270 nan 0.000 0.445 81 G N 0.883 109.503 108.800 -0.300 0.000 2.572 81 G HA2 0.043 4.003 3.960 0.000 0.000 0.216 81 G HA3 0.043 4.003 3.960 0.000 0.000 0.216 81 G C 0.582 175.407 174.900 -0.125 0.000 1.133 81 G CA -0.124 44.867 45.100 -0.182 0.000 0.791 81 G HN 0.111 nan 8.290 nan 0.000 0.538 82 L N 1.645 122.778 121.223 -0.151 0.000 2.464 82 L HA 0.257 4.597 4.340 0.000 0.000 0.264 82 L C -1.543 175.287 176.870 -0.068 0.000 1.199 82 L CA -1.864 52.929 54.840 -0.077 0.000 0.818 82 L CB 0.778 42.791 42.059 -0.077 0.000 1.102 82 L HN -0.013 nan 8.230 nan 0.000 0.473 83 P HA -0.016 nan 4.420 nan 0.000 0.269 83 P C -0.797 176.476 177.300 -0.045 0.000 1.215 83 P CA -0.313 62.766 63.100 -0.034 0.000 0.780 83 P CB 0.538 32.228 31.700 -0.016 0.000 0.898 84 E N 1.085 121.259 120.200 -0.044 0.000 2.442 84 E HA 0.257 4.607 4.350 0.000 0.000 0.262 84 E C 1.325 177.899 176.600 -0.043 0.000 1.004 84 E CA 1.234 57.605 56.400 -0.049 0.000 0.928 84 E CB -0.675 29.001 29.700 -0.040 0.000 0.937 84 E HN 0.772 nan 8.360 nan 0.000 0.446 85 G N 2.358 111.125 108.800 -0.056 0.000 2.162 85 G HA2 -0.302 3.659 3.960 0.000 0.000 0.260 85 G HA3 -0.302 3.659 3.960 0.000 0.000 0.260 85 G C 0.372 175.250 174.900 -0.037 0.000 0.976 85 G CA 0.171 45.240 45.100 -0.051 0.000 0.655 85 G HN 0.905 nan 8.290 nan 0.000 0.533 86 A N -0.079 122.720 122.820 -0.035 0.000 2.445 86 A HA 0.542 4.863 4.320 0.000 0.000 0.242 86 A C 0.519 178.101 177.584 -0.003 0.000 1.075 86 A CA 0.186 52.215 52.037 -0.014 0.000 0.777 86 A CB 0.346 19.337 19.000 -0.015 0.000 1.013 86 A HN 0.302 nan 8.150 nan 0.000 0.493 87 E N 1.304 121.514 120.200 0.017 0.000 2.200 87 E HA 0.382 4.733 4.350 0.000 0.000 0.283 87 E C -0.813 175.815 176.600 0.046 0.000 1.015 87 E CA 0.059 56.483 56.400 0.039 0.000 0.819 87 E CB 1.284 31.009 29.700 0.042 0.000 1.081 87 E HN 0.503 nan 8.360 nan 0.000 0.397 88 I N 2.160 122.769 120.570 0.065 0.000 2.355 88 I HA 0.307 4.477 4.170 0.000 0.000 0.288 88 I C 0.007 176.150 176.117 0.043 0.000 0.999 88 I CA -0.766 60.573 61.300 0.064 0.000 1.163 88 I CB 1.495 39.542 38.000 0.077 0.000 1.316 88 I HN 0.362 nan 8.210 nan 0.000 0.454 89 A N 6.978 129.800 122.820 0.003 0.000 2.274 89 A HA 0.742 5.062 4.320 0.000 0.000 0.309 89 A C -0.518 176.958 177.584 -0.180 0.000 1.226 89 A CA -0.391 51.600 52.037 -0.076 0.000 0.853 89 A CB 0.895 19.873 19.000 -0.036 0.000 1.146 89 A HN 0.471 nan 8.150 nan 0.000 0.518 90 V N 3.530 123.178 119.914 -0.443 0.000 2.540 90 V HA 0.635 4.755 4.120 0.000 0.000 0.302 90 V C -0.324 175.519 176.094 -0.418 0.000 1.035 90 V CA -0.430 61.543 62.300 -0.545 0.000 0.873 90 V CB 1.546 32.675 31.823 -1.157 0.000 0.992 90 V HN 1.081 nan 8.190 nan 0.000 0.428 91 Q N 3.865 123.528 119.800 -0.228 0.000 2.309 91 Q HA 0.689 5.029 4.340 0.000 0.000 0.273 91 Q C -1.760 174.183 176.000 -0.095 0.000 1.040 91 Q CA -0.967 54.754 55.803 -0.137 0.000 0.834 91 Q CB 2.498 31.185 28.738 -0.086 0.000 1.345 91 Q HN 0.539 nan 8.270 nan 0.000 0.414 92 L N 2.100 123.286 121.223 -0.062 0.000 2.331 92 L HA 0.427 4.768 4.340 0.000 0.000 0.278 92 L C -0.838 176.013 176.870 -0.031 0.000 1.106 92 L CA 0.617 55.431 54.840 -0.044 0.000 0.824 92 L CB 1.049 43.093 42.059 -0.025 0.000 1.142 92 L HN 0.890 nan 8.230 nan 0.000 0.443 93 E N 4.112 124.295 120.200 -0.028 0.000 2.580 93 E HA 0.555 4.905 4.350 0.000 0.000 0.248 93 E C 0.254 176.846 176.600 -0.014 0.000 1.018 93 E CA 0.266 56.654 56.400 -0.020 0.000 0.775 93 E CB 0.311 29.998 29.700 -0.022 0.000 1.378 93 E HN 0.940 nan 8.360 nan 0.000 0.401 94 G N 3.682 112.475 108.800 -0.011 0.000 2.591 94 G HA2 -0.327 3.634 3.960 0.000 0.000 0.298 94 G HA3 -0.327 3.634 3.960 0.000 0.000 0.298 94 G C 0.307 175.203 174.900 -0.006 0.000 1.195 94 G CA 0.405 45.501 45.100 -0.007 0.000 0.989 94 G HN 0.538 nan 8.290 nan 0.000 0.551 95 E N 1.331 121.529 120.200 -0.003 0.000 3.655 95 E HA 0.501 4.851 4.350 0.000 0.000 0.280 95 E C 0.837 177.433 176.600 -0.006 0.000 1.425 95 E CA -0.270 56.129 56.400 -0.002 0.000 1.341 95 E CB -0.033 29.669 29.700 0.004 0.000 1.349 95 E HN 0.703 nan 8.360 nan 0.000 0.775 96 R N -0.521 119.977 120.500 -0.004 0.000 1.558 96 R HA -0.187 4.153 4.340 0.000 0.000 0.397 96 R C -0.340 175.945 176.300 -0.025 0.000 1.289 96 R CA 0.492 56.586 56.100 -0.009 0.000 1.129 96 R CB -2.050 28.248 30.300 -0.002 0.000 3.317 96 R HN 0.646 nan 8.270 nan 0.000 0.487 97 M N 4.350 123.928 119.600 -0.037 0.000 2.227 97 M HA 0.431 4.912 4.480 0.000 0.000 0.335 97 M C -0.625 175.650 176.300 -0.042 0.000 1.053 97 M CA -0.839 54.420 55.300 -0.069 0.000 0.973 97 M CB 1.226 33.747 32.600 -0.133 0.000 1.623 97 M HN 0.531 nan 8.290 nan 0.000 0.434 98 L N 5.321 126.519 121.223 -0.042 0.000 2.312 98 L HA 0.569 4.909 4.340 0.000 0.000 0.281 98 L C -0.990 175.880 176.870 0.001 0.000 1.070 98 L CA -0.636 54.201 54.840 -0.006 0.000 0.805 98 L CB 1.643 43.688 42.059 -0.023 0.000 1.174 98 L HN 0.469 nan 8.230 nan 0.000 0.434 99 V N 4.400 124.381 119.914 0.110 0.000 2.531 99 V HA 0.560 4.681 4.120 0.000 0.000 0.301 99 V C -0.332 175.897 176.094 0.226 0.000 1.034 99 V CA -0.704 61.693 62.300 0.162 0.000 0.865 99 V CB 1.797 33.787 31.823 0.278 0.000 0.995 99 V HN 0.716 nan 8.190 nan 0.000 0.424 100 R N 2.504 123.080 120.500 0.128 0.000 2.673 100 R HA 0.827 5.167 4.340 0.000 0.000 0.281 100 R C -1.052 175.306 176.300 0.098 0.000 0.991 100 R CA -0.642 55.521 56.100 0.106 0.000 0.896 100 R CB 2.300 32.617 30.300 0.028 0.000 1.201 100 R HN 0.655 nan 8.270 nan 0.000 0.457 101 S N 0.815 116.578 115.700 0.106 0.000 2.584 101 S HA 0.529 4.999 4.470 0.000 0.000 0.280 101 S C 0.235 174.870 174.600 0.060 0.000 1.162 101 S CA 0.399 58.646 58.200 0.078 0.000 0.951 101 S CB 1.261 64.514 63.200 0.088 0.000 1.108 101 S HN 0.996 nan 8.310 nan 0.000 0.464 102 G N 5.157 113.977 108.800 0.033 0.000 2.622 102 G HA2 -0.283 3.677 3.960 0.000 0.000 0.307 102 G HA3 -0.283 3.677 3.960 0.000 0.000 0.307 102 G C 0.153 175.059 174.900 0.009 0.000 1.226 102 G CA 0.491 45.603 45.100 0.020 0.000 0.997 102 G HN 0.851 nan 8.290 nan 0.000 0.551 103 R N 0.782 121.283 120.500 0.002 0.000 2.586 103 R HA 0.382 4.723 4.340 0.000 0.000 0.306 103 R C -0.032 176.243 176.300 -0.042 0.000 1.079 103 R CA 0.330 56.418 56.100 -0.020 0.000 1.083 103 R CB 0.465 30.753 30.300 -0.020 0.000 1.306 103 R HN 0.267 nan 8.270 nan 0.000 0.567 104 S N 1.348 117.036 115.700 -0.021 0.000 2.509 104 S HA 0.524 4.995 4.470 0.000 0.000 0.297 104 S C -0.119 174.351 174.600 -0.217 0.000 1.118 104 S CA -0.801 57.344 58.200 -0.093 0.000 1.074 104 S CB 1.927 65.216 63.200 0.148 0.000 1.038 104 S HN 0.129 nan 8.310 nan 0.000 0.498 105 R N 1.514 121.657 120.500 -0.596 0.000 2.621 105 R HA 0.579 4.919 4.340 0.000 0.000 0.284 105 R C -1.739 173.974 176.300 -0.979 0.000 0.998 105 R CA -0.442 55.365 56.100 -0.487 0.000 0.895 105 R CB 1.338 31.474 30.300 -0.273 0.000 1.195 105 R HN 0.564 nan 8.270 nan 0.000 0.450 106 F N -0.472 119.484 119.950 0.009 0.000 2.576 106 F HA 0.441 4.968 4.527 0.000 0.000 0.313 106 F C 0.368 176.173 175.800 0.008 0.000 1.078 106 F CA -0.829 57.181 58.000 0.018 0.000 0.921 106 F CB 2.381 41.407 39.000 0.044 0.000 1.232 106 F HN 0.262 nan 8.300 nan 0.000 0.459 107 S N 3.469 119.253 115.700 0.141 0.000 2.596 107 S HA 0.794 5.264 4.470 0.000 0.000 0.318 107 S C -1.235 173.422 174.600 0.094 0.000 1.097 107 S CA -0.458 57.792 58.200 0.083 0.000 1.080 107 S CB 0.306 63.525 63.200 0.030 0.000 0.991 107 S HN 0.588 nan 8.310 nan 0.000 0.471 108 L N 3.884 125.148 121.223 0.068 0.000 2.334 108 L HA 0.561 4.901 4.340 0.000 0.000 0.273 108 L C 0.644 177.527 176.870 0.022 0.000 1.013 108 L CA -0.937 53.934 54.840 0.053 0.000 0.816 108 L CB 2.093 44.172 42.059 0.032 0.000 1.278 108 L HN 0.784 nan 8.230 nan 0.000 0.431 109 S N 0.431 116.148 115.700 0.029 0.000 2.568 109 S HA 0.351 4.821 4.470 0.000 0.000 0.282 109 S C 0.042 174.648 174.600 0.009 0.000 1.338 109 S CA -0.490 57.722 58.200 0.021 0.000 1.045 109 S CB 0.805 64.023 63.200 0.030 0.000 0.873 109 S HN 0.730 nan 8.310 nan 0.000 0.516 110 T N 0.154 114.711 114.554 0.005 0.000 2.930 110 T HA 0.735 5.085 4.350 0.000 0.000 0.290 110 T C -0.531 174.180 174.700 0.019 0.000 1.052 110 T CA -1.066 61.034 62.100 -0.000 0.000 1.017 110 T CB 0.784 69.643 68.868 -0.014 0.000 1.137 110 T HN 0.627 nan 8.240 nan 0.000 0.511 111 L N 1.087 122.328 121.223 0.030 0.000 2.370 111 L HA 0.569 4.909 4.340 0.000 0.000 0.266 111 L C -2.598 174.300 176.870 0.046 0.000 1.002 111 L CA -2.868 51.999 54.840 0.046 0.000 0.818 111 L CB 2.704 44.806 42.059 0.071 0.000 1.325 111 L HN 0.469 nan 8.230 nan 0.000 0.418 112 P HA 0.076 nan 4.420 nan 0.000 0.271 112 P C -0.010 177.325 177.300 0.058 0.000 1.216 112 P CA -0.065 63.058 63.100 0.038 0.000 0.776 112 P CB 1.078 32.799 31.700 0.034 0.000 0.881 113 A N 4.449 127.290 122.820 0.035 0.000 1.841 113 A HA -0.075 4.245 4.320 0.000 0.000 0.216 113 A C 1.440 179.075 177.584 0.085 0.000 1.199 113 A CA 1.635 53.694 52.037 0.037 0.000 0.621 113 A CB -1.700 17.297 19.000 -0.005 0.000 0.835 113 A HN 0.593 nan 8.150 nan 0.000 0.445 114 A N -0.698 122.156 122.820 0.057 0.000 3.132 114 A HA 0.302 4.623 4.320 0.000 0.000 0.288 114 A C 0.394 178.018 177.584 0.066 0.000 1.959 114 A CA 1.462 53.533 52.037 0.057 0.000 1.374 114 A CB -0.952 18.069 19.000 0.035 0.000 0.918 114 A HN 0.612 nan 8.150 nan 0.000 0.594 115 D N -1.696 118.761 120.400 0.095 0.000 4.183 115 D HA -0.065 4.576 4.640 0.000 0.000 0.308 115 D C -0.184 176.187 176.300 0.119 0.000 0.407 115 D CA -0.304 53.747 54.000 0.085 0.000 0.722 115 D CB -0.643 40.205 40.800 0.080 0.000 1.584 115 D HN 0.468 nan 8.370 nan 0.000 0.132 116 F N 2.383 122.336 119.950 0.006 0.000 2.484 116 F HA 0.408 4.935 4.527 0.000 0.000 0.360 116 F C -2.011 173.793 175.800 0.007 0.000 1.101 116 F CA -1.580 56.425 58.000 0.008 0.000 1.251 116 F CB 0.635 39.640 39.000 0.008 0.000 1.132 116 F HN -0.259 nan 8.300 nan 0.000 0.570 117 P HA 0.144 nan 4.420 nan 0.000 0.276 117 P C -1.587 175.649 177.300 -0.107 0.000 1.243 117 P CA -0.328 62.637 63.100 -0.225 0.000 0.768 117 P CB 0.367 31.874 31.700 -0.323 0.000 0.856 118 N N 3.218 121.921 118.700 0.005 0.000 2.437 118 N HA 0.156 4.896 4.740 0.000 0.000 0.259 118 N C -0.522 175.006 175.510 0.030 0.000 0.983 118 N CA -0.653 52.428 53.050 0.051 0.000 0.937 118 N CB 0.352 38.884 38.487 0.074 0.000 1.122 118 N HN 0.144 nan 8.380 nan 0.000 0.499 119 L N 1.946 123.190 121.223 0.036 0.000 2.874 119 L HA -0.050 4.291 4.340 0.000 0.000 0.270 119 L C 0.970 177.920 176.870 0.133 0.000 1.404 119 L CA 0.520 55.393 54.840 0.054 0.000 1.192 119 L CB -1.128 40.957 42.059 0.044 0.000 1.415 119 L HN 0.645 nan 8.230 nan 0.000 0.443 120 D N 0.653 121.116 120.400 0.106 0.000 2.443 120 D HA -0.093 4.547 4.640 0.000 0.000 0.234 120 D C -0.110 176.329 176.300 0.231 0.000 1.172 120 D CA 0.053 54.123 54.000 0.117 0.000 0.878 120 D CB 0.844 41.689 40.800 0.074 0.000 1.204 120 D HN 0.294 nan 8.370 nan 0.000 0.453 121 D N 1.162 121.637 120.400 0.125 0.000 2.423 121 D HA 0.539 5.179 4.640 0.000 0.000 0.255 121 D C -0.123 176.238 176.300 0.102 0.000 1.174 121 D CA -0.074 53.931 54.000 0.009 0.000 1.008 121 D CB 0.531 41.196 40.800 -0.225 0.000 1.101 121 D HN 0.451 nan 8.370 nan 0.000 0.516 122 W N -1.540 119.749 121.300 -0.019 0.000 2.799 122 W HA 0.285 4.945 4.660 -0.000 0.000 0.416 122 W C -1.664 174.845 176.519 -0.015 0.000 1.108 122 W CA -0.765 56.570 57.345 -0.017 0.000 1.169 122 W CB 0.332 29.779 29.460 -0.022 0.000 1.471 122 W HN 0.103 nan 8.180 nan 0.000 0.586 123 Q N 1.753 121.763 119.800 0.350 0.000 2.339 123 Q HA 0.337 4.677 4.340 0.000 0.000 0.268 123 Q C -0.180 175.981 176.000 0.269 0.000 1.027 123 Q CA -0.540 55.358 55.803 0.159 0.000 0.759 123 Q CB 2.202 30.999 28.738 0.099 0.000 1.244 123 Q HN 0.367 nan 8.270 nan 0.000 0.464 124 S N 1.815 117.612 115.700 0.162 0.000 2.558 124 S HA -0.052 4.418 4.470 0.000 0.000 0.291 124 S C 0.621 175.285 174.600 0.107 0.000 1.306 124 S CA 0.424 58.736 58.200 0.186 0.000 1.056 124 S CB 0.442 63.682 63.200 0.067 0.000 0.836 124 S HN 0.643 nan 8.310 nan 0.000 0.504 125 E N 1.521 121.767 120.200 0.077 0.000 2.453 125 E HA 0.224 4.574 4.350 0.000 0.000 0.211 125 E C -0.914 175.704 176.600 0.031 0.000 0.897 125 E CA 0.063 56.500 56.400 0.061 0.000 1.063 125 E CB 1.079 30.830 29.700 0.085 0.000 1.080 125 E HN 0.484 nan 8.360 nan 0.000 0.512 126 V N 1.134 121.048 119.914 -0.001 0.000 2.777 126 V HA 0.394 4.515 4.120 0.000 0.000 0.306 126 V C -0.706 175.419 176.094 0.051 0.000 1.112 126 V CA -0.895 61.435 62.300 0.049 0.000 0.917 126 V CB 2.177 34.009 31.823 0.016 0.000 1.018 126 V HN -0.020 nan 8.190 nan 0.000 0.426 127 E N 3.396 123.648 120.200 0.086 0.000 2.293 127 E HA 0.818 5.168 4.350 0.000 0.000 0.270 127 E C -1.844 174.813 176.600 0.094 0.000 0.879 127 E CA -0.483 55.895 56.400 -0.035 0.000 0.756 127 E CB 2.994 32.669 29.700 -0.043 0.000 1.208 127 E HN 0.666 nan 8.360 nan 0.000 0.428 128 F N -1.258 118.682 119.950 -0.018 0.000 2.770 128 F HA 0.518 5.045 4.527 0.000 0.000 0.313 128 F C -1.074 174.723 175.800 -0.005 0.000 1.154 128 F CA -0.996 56.999 58.000 -0.009 0.000 0.923 128 F CB 1.035 40.037 39.000 0.003 0.000 1.301 128 F HN 0.210 nan 8.300 nan 0.000 0.449 129 T N 0.996 115.675 114.554 0.208 0.000 2.887 129 T HA 0.884 5.234 4.350 0.000 0.000 0.288 129 T C -0.892 173.934 174.700 0.209 0.000 1.021 129 T CA -0.702 61.465 62.100 0.113 0.000 1.000 129 T CB 1.967 70.866 68.868 0.051 0.000 1.034 129 T HN 1.418 nan 8.240 nan 0.000 0.467 130 L N -1.863 119.456 121.223 0.160 0.000 2.568 130 L HA 0.821 5.162 4.340 0.000 0.000 0.257 130 L C -3.323 173.605 176.870 0.096 0.000 1.024 130 L CA -2.981 51.946 54.840 0.145 0.000 0.854 130 L CB 1.200 43.377 42.059 0.197 0.000 1.460 130 L HN 0.306 nan 8.230 nan 0.000 0.409 131 P HA 0.124 nan 4.420 nan 0.000 0.266 131 P C -0.122 177.213 177.300 0.059 0.000 1.195 131 P CA 0.059 63.193 63.100 0.056 0.000 0.768 131 P CB 0.663 32.390 31.700 0.045 0.000 0.838 132 Q N 2.357 122.184 119.800 0.044 0.000 2.135 132 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 132 Q C 1.983 178.005 176.000 0.036 0.000 0.981 132 Q CA 1.953 57.779 55.803 0.037 0.000 0.856 132 Q CB -0.491 28.257 28.738 0.017 0.000 0.902 132 Q HN 0.570 nan 8.270 nan 0.000 0.425 133 A N 0.248 123.087 122.820 0.031 0.000 2.015 133 A HA -0.147 4.173 4.320 0.000 0.000 0.219 133 A C 2.135 179.741 177.584 0.037 0.000 1.163 133 A CA 1.621 53.675 52.037 0.028 0.000 0.646 133 A CB -0.528 18.485 19.000 0.022 0.000 0.806 133 A HN 0.282 nan 8.150 nan 0.000 0.448 134 T N -0.570 114.012 114.554 0.047 0.000 2.812 134 T HA -0.113 4.237 4.350 0.000 0.000 0.264 134 T C 1.929 176.670 174.700 0.069 0.000 1.042 134 T CA 1.756 63.887 62.100 0.052 0.000 1.140 134 T CB -0.230 68.672 68.868 0.058 0.000 0.870 134 T HN 0.453 nan 8.240 nan 0.000 0.445 135 M N 1.562 121.217 119.600 0.092 0.000 2.117 135 M HA 0.022 4.502 4.480 0.000 0.000 0.262 135 M C 2.019 178.376 176.300 0.096 0.000 1.065 135 M CA 1.684 57.059 55.300 0.125 0.000 1.114 135 M CB -0.328 32.355 32.600 0.138 0.000 1.361 135 M HN 0.011 nan 8.290 nan 0.000 0.408 136 K N -0.541 119.897 120.400 0.063 0.000 2.032 136 K HA -0.190 4.130 4.320 0.000 0.000 0.209 136 K C 2.382 179.009 176.600 0.045 0.000 1.048 136 K CA 1.444 57.758 56.287 0.045 0.000 0.927 136 K CB -0.336 32.179 32.500 0.026 0.000 0.712 136 K HN 0.248 nan 8.250 nan 0.000 0.441 137 R N 0.915 121.440 120.500 0.042 0.000 2.083 137 R HA -0.137 4.203 4.340 0.000 0.000 0.237 137 R C 2.224 178.543 176.300 0.031 0.000 1.137 137 R CA 1.726 57.849 56.100 0.038 0.000 0.951 137 R CB -0.616 29.703 30.300 0.031 0.000 0.851 137 R HN 0.304 nan 8.270 nan 0.000 0.434 138 L N 0.309 121.545 121.223 0.022 0.000 2.046 138 L HA -0.189 4.151 4.340 0.000 0.000 0.208 138 L C 2.528 179.368 176.870 -0.049 0.000 1.077 138 L CA 1.279 56.104 54.840 -0.025 0.000 0.747 138 L CB -0.302 41.741 42.059 -0.026 0.000 0.896 138 L HN 0.202 nan 8.230 nan 0.000 0.432 139 I N -0.750 119.824 120.570 0.007 0.000 2.333 139 I HA -0.211 3.959 4.170 0.000 0.000 0.246 139 I C 2.366 178.500 176.117 0.029 0.000 1.106 139 I CA 1.061 62.366 61.300 0.008 0.000 1.411 139 I CB -0.238 37.814 38.000 0.086 0.000 1.082 139 I HN 0.226 nan 8.210 nan 0.000 0.420 140 E N 1.046 121.281 120.200 0.058 0.000 2.153 140 E HA -0.194 4.156 4.350 0.000 0.000 0.194 140 E C 2.272 178.973 176.600 0.168 0.000 0.988 140 E CA 1.138 57.597 56.400 0.099 0.000 0.811 140 E CB -0.116 29.631 29.700 0.079 0.000 0.746 140 E HN 0.495 nan 8.360 nan 0.000 0.466 141 A N 0.171 123.073 122.820 0.135 0.000 2.067 141 A HA -0.106 4.215 4.320 0.000 0.000 0.219 141 A C 1.973 179.704 177.584 0.245 0.000 1.158 141 A CA 1.535 53.705 52.037 0.220 0.000 0.661 141 A CB 0.020 19.086 19.000 0.111 0.000 0.801 141 A HN 0.152 nan 8.150 nan 0.000 0.452 142 T N -2.166 112.405 114.554 0.028 0.000 3.009 142 T HA 0.074 4.425 4.350 0.000 0.000 0.267 142 T C 1.651 176.163 174.700 -0.314 0.000 0.942 142 T CA 0.407 62.379 62.100 -0.214 0.000 0.883 142 T CB 0.256 68.973 68.868 -0.252 0.000 1.192 142 T HN 0.594 nan 8.240 nan 0.000 0.524 143 Q N 1.314 121.062 119.800 -0.088 0.000 2.167 143 Q HA -0.117 4.224 4.340 0.000 0.000 0.202 143 Q C 1.952 177.922 176.000 -0.050 0.000 0.970 143 Q CA 1.600 57.371 55.803 -0.054 0.000 0.855 143 Q CB -0.379 28.385 28.738 0.042 0.000 0.911 143 Q HN 0.695 nan 8.270 nan 0.000 0.438 144 F N -0.719 119.250 119.950 0.032 0.000 2.333 144 F HA 0.078 4.605 4.527 0.001 0.000 0.300 144 F C 1.633 177.464 175.800 0.051 0.000 1.083 144 F CA 0.889 58.918 58.000 0.050 0.000 1.395 144 F CB -0.455 38.572 39.000 0.046 0.000 1.056 144 F HN -0.101 nan 8.300 nan 0.000 0.529 145 S N 0.596 115.847 115.700 -0.749 0.000 2.593 145 S HA 0.231 4.701 4.470 0.000 0.000 0.217 145 S C 0.796 175.271 174.600 -0.209 0.000 0.966 145 S CA -0.236 57.687 58.200 -0.462 0.000 0.914 145 S CB -0.438 62.409 63.200 -0.589 0.000 0.776 145 S HN 0.248 nan 8.310 nan 0.000 0.523 146 M N 1.857 121.355 119.600 -0.169 0.000 2.248 146 M HA 0.259 4.739 4.480 0.000 0.000 0.337 146 M C 0.555 176.788 176.300 -0.111 0.000 1.121 146 M CA -0.248 54.982 55.300 -0.116 0.000 1.155 146 M CB 0.299 32.818 32.600 -0.134 0.000 1.514 146 M HN 0.160 nan 8.290 nan 0.000 0.452 147 A N 1.508 124.281 122.820 -0.080 0.000 2.313 147 A HA 0.236 4.556 4.320 0.000 0.000 0.261 147 A C 0.082 177.620 177.584 -0.078 0.000 1.090 147 A CA -0.233 51.787 52.037 -0.028 0.000 0.807 147 A CB 0.205 19.160 19.000 -0.074 0.000 1.055 147 A HN 0.966 nan 8.150 nan 0.000 0.492 148 H N -0.693 118.368 119.070 -0.015 0.000 2.393 148 H HA 0.205 4.761 4.556 0.000 0.000 0.307 148 H C 0.366 175.695 175.328 0.001 0.000 1.038 148 H CA 1.272 57.323 56.048 0.006 0.000 1.351 148 H CB 0.330 30.103 29.762 0.018 0.000 1.464 148 H HN 0.618 nan 8.280 nan 0.000 0.575 149 Q N 0.486 120.361 119.800 0.125 0.000 2.139 149 Q HA 0.129 4.469 4.340 0.000 0.000 0.301 149 Q C -1.050 174.959 176.000 0.014 0.000 0.874 149 Q CA -0.168 55.670 55.803 0.058 0.000 1.116 149 Q CB 1.250 30.025 28.738 0.061 0.000 1.278 149 Q HN 0.276 nan 8.270 nan 0.000 0.426 150 D N 0.383 120.769 120.400 -0.023 0.000 2.472 150 D HA -0.050 4.590 4.640 0.000 0.000 0.237 150 D C 1.537 177.786 176.300 -0.084 0.000 1.141 150 D CA 0.243 54.193 54.000 -0.083 0.000 0.875 150 D CB 1.589 42.290 40.800 -0.166 0.000 1.192 150 D HN 0.207 nan 8.370 nan 0.000 0.450 151 V N 2.764 122.636 119.914 -0.070 0.000 2.568 151 V HA -0.171 3.949 4.120 0.000 0.000 0.253 151 V C 0.938 176.971 176.094 -0.100 0.000 1.072 151 V CA 1.117 63.396 62.300 -0.036 0.000 1.084 151 V CB -0.505 31.308 31.823 -0.015 0.000 0.676 151 V HN 0.339 nan 8.190 nan 0.000 0.469 152 R N 1.222 121.540 120.500 -0.303 0.000 2.612 152 R HA 0.307 4.647 4.340 0.000 0.000 0.273 152 R C 0.974 176.723 176.300 -0.918 0.000 1.376 152 R CA 0.127 55.771 56.100 -0.759 0.000 1.171 152 R CB -0.689 29.007 30.300 -1.006 0.000 1.151 152 R HN 0.760 nan 8.270 nan 0.000 0.560 153 Y N 0.326 120.385 120.300 -0.401 0.000 2.315 153 Y HA -0.285 4.265 4.550 0.000 0.000 0.288 153 Y C 1.193 177.007 175.900 -0.143 0.000 1.154 153 Y CA 0.683 58.674 58.100 -0.182 0.000 1.229 153 Y CB -0.705 37.733 38.460 -0.036 0.000 0.980 153 Y HN 0.572 nan 8.280 nan 0.000 0.540 154 Y N -0.593 119.426 120.300 -0.469 0.000 2.561 154 Y HA 0.211 4.761 4.550 0.001 0.000 0.291 154 Y C 1.514 177.402 175.900 -0.020 0.000 1.141 154 Y CA -0.140 57.871 58.100 -0.150 0.000 1.303 154 Y CB -0.988 37.318 38.460 -0.257 0.000 1.015 154 Y HN 0.149 nan 8.280 nan 0.000 0.547 155 L N 0.721 121.728 121.223 -0.360 0.000 2.418 155 L HA -0.000 4.340 4.340 0.000 0.000 0.218 155 L C 0.158 177.011 176.870 -0.027 0.000 1.125 155 L CA 0.578 55.321 54.840 -0.162 0.000 0.835 155 L CB -0.462 41.410 42.059 -0.311 0.000 0.953 155 L HN 0.266 nan 8.230 nan 0.000 0.454 156 N N 1.002 119.683 118.700 -0.032 0.000 3.303 156 N HA 0.340 5.080 4.740 0.000 0.000 0.304 156 N C 0.253 175.786 175.510 0.040 0.000 1.302 156 N CA -0.072 52.971 53.050 -0.011 0.000 1.213 156 N CB 0.376 38.864 38.487 0.001 0.000 1.481 156 N HN 0.287 nan 8.380 nan 0.000 0.546 157 G N 0.246 109.089 108.800 0.071 0.000 2.321 157 G HA2 0.319 4.279 3.960 0.000 0.000 0.296 157 G HA3 0.319 4.279 3.960 0.000 0.000 0.296 157 G C -1.916 173.050 174.900 0.109 0.000 1.287 157 G CA -0.836 44.325 45.100 0.100 0.000 0.846 157 G HN 0.190 nan 8.290 nan 0.000 0.508 158 M N 0.423 120.079 119.600 0.094 0.000 2.393 158 M HA 0.769 5.249 4.480 0.000 0.000 0.299 158 M C -1.588 174.626 176.300 -0.144 0.000 1.103 158 M CA -0.984 54.285 55.300 -0.051 0.000 0.910 158 M CB 2.147 34.715 32.600 -0.053 0.000 1.659 158 M HN 0.719 nan 8.290 nan 0.000 0.445 159 L N 4.175 125.076 121.223 -0.538 0.000 2.326 159 L HA 0.594 4.934 4.340 0.000 0.000 0.278 159 L C -1.944 174.714 176.870 -0.353 0.000 1.092 159 L CA 0.400 54.907 54.840 -0.555 0.000 0.810 159 L CB 0.797 42.148 42.059 -1.180 0.000 1.153 159 L HN 0.656 nan 8.230 nan 0.000 0.439 160 F N 3.438 123.297 119.950 -0.151 0.000 2.449 160 F HA 0.495 5.022 4.527 -0.000 0.000 0.342 160 F C -0.050 175.731 175.800 -0.031 0.000 1.127 160 F CA -0.472 57.491 58.000 -0.061 0.000 0.975 160 F CB 1.601 40.608 39.000 0.013 0.000 1.146 160 F HN 0.489 nan 8.300 nan 0.000 0.444 161 E N 1.881 122.124 120.200 0.072 0.000 2.218 161 E HA 0.383 4.733 4.350 0.000 0.000 0.263 161 E C -1.149 175.472 176.600 0.035 0.000 0.879 161 E CA -0.702 55.732 56.400 0.057 0.000 0.762 161 E CB 1.320 31.020 29.700 0.000 0.000 1.166 161 E HN 0.591 nan 8.360 nan 0.000 0.415 162 T N 1.494 116.076 114.554 0.048 0.000 2.744 162 T HA 0.377 4.727 4.350 0.000 0.000 0.291 162 T C -0.154 174.540 174.700 -0.010 0.000 0.957 162 T CA -0.823 61.253 62.100 -0.040 0.000 1.002 162 T CB 1.297 70.111 68.868 -0.089 0.000 0.919 162 T HN 0.447 nan 8.240 nan 0.000 0.468 163 E N 2.544 122.725 120.200 -0.031 0.000 2.199 163 E HA 0.508 4.858 4.350 0.000 0.000 0.265 163 E C 0.881 177.461 176.600 -0.032 0.000 0.882 163 E CA -0.248 56.142 56.400 -0.016 0.000 0.759 163 E CB 1.024 30.724 29.700 0.001 0.000 1.148 163 E HN 1.030 nan 8.360 nan 0.000 0.412 164 G N 4.845 113.631 108.800 -0.024 0.000 2.565 164 G HA2 -0.363 3.597 3.960 0.000 0.000 0.295 164 G HA3 -0.363 3.597 3.960 0.000 0.000 0.295 164 G C 0.384 175.258 174.900 -0.044 0.000 1.165 164 G CA 0.573 45.657 45.100 -0.026 0.000 0.977 164 G HN 0.652 nan 8.290 nan 0.000 0.546 165 E N 1.556 121.728 120.200 -0.048 0.000 2.569 165 E HA 0.280 4.630 4.350 0.000 0.000 0.205 165 E C 0.081 176.628 176.600 -0.088 0.000 1.006 165 E CA -0.043 56.318 56.400 -0.065 0.000 0.985 165 E CB 0.522 30.197 29.700 -0.042 0.000 1.060 165 E HN 0.495 nan 8.360 nan 0.000 0.460 166 E N 1.054 121.200 120.200 -0.090 0.000 2.207 166 E HA 0.352 4.702 4.350 0.000 0.000 0.270 166 E C -1.153 175.371 176.600 -0.127 0.000 0.927 166 E CA -0.977 55.368 56.400 -0.092 0.000 0.799 166 E CB 2.399 32.060 29.700 -0.065 0.000 1.172 166 E HN -0.052 nan 8.360 nan 0.000 0.404 167 L N 2.561 123.709 121.223 -0.125 0.000 2.329 167 L HA 0.481 4.821 4.340 0.000 0.000 0.279 167 L C -0.781 176.038 176.870 -0.086 0.000 1.014 167 L CA -0.315 54.459 54.840 -0.111 0.000 0.814 167 L CB 1.299 43.299 42.059 -0.099 0.000 1.257 167 L HN 0.510 nan 8.230 nan 0.000 0.424 168 R N 1.999 122.439 120.500 -0.100 0.000 2.621 168 R HA 0.794 5.134 4.340 0.000 0.000 0.284 168 R C -1.442 174.696 176.300 -0.270 0.000 0.998 168 R CA -0.213 55.786 56.100 -0.169 0.000 0.895 168 R CB 1.718 31.930 30.300 -0.147 0.000 1.195 168 R HN 0.795 nan 8.270 nan 0.000 0.450 169 T N 0.160 114.492 114.554 -0.371 0.000 2.885 169 T HA 0.713 5.063 4.350 0.000 0.000 0.285 169 T C -0.658 173.777 174.700 -0.441 0.000 1.019 169 T CA -0.747 61.020 62.100 -0.554 0.000 1.010 169 T CB 1.838 70.304 68.868 -0.669 0.000 1.022 169 T HN 0.248 nan 8.240 nan 0.000 0.466 170 V N 0.716 120.357 119.914 -0.455 0.000 2.760 170 V HA 0.888 5.009 4.120 0.000 0.000 0.309 170 V C -0.362 175.580 176.094 -0.253 0.000 1.077 170 V CA -0.931 61.170 62.300 -0.333 0.000 0.910 170 V CB 1.614 33.289 31.823 -0.248 0.000 1.008 170 V HN 1.435 nan 8.190 nan 0.000 0.424 171 A N 2.295 125.049 122.820 -0.110 0.000 2.515 171 A HA 0.972 5.292 4.320 0.000 0.000 0.298 171 A C -0.661 176.939 177.584 0.027 0.000 1.059 171 A CA -0.502 51.540 52.037 0.008 0.000 0.698 171 A CB 2.395 21.309 19.000 -0.143 0.000 1.289 171 A HN 0.932 nan 8.150 nan 0.000 0.404 172 T N -0.273 114.329 114.554 0.079 0.000 2.885 172 T HA 0.534 4.885 4.350 0.000 0.000 0.322 172 T C -1.669 172.984 174.700 -0.079 0.000 1.387 172 T CA 0.187 62.270 62.100 -0.029 0.000 1.041 172 T CB 1.540 70.399 68.868 -0.015 0.000 1.287 172 T HN 0.892 nan 8.240 nan 0.000 0.491 173 D N 0.576 120.906 120.400 -0.116 0.000 2.599 173 D HA 0.354 4.994 4.640 0.000 0.000 0.249 173 D C 1.363 177.527 176.300 -0.227 0.000 1.313 173 D CA 0.542 54.453 54.000 -0.147 0.000 0.815 173 D CB -0.021 40.718 40.800 -0.103 0.000 1.077 173 D HN 1.138 nan 8.370 nan 0.000 0.492 174 G N 0.505 109.198 108.800 -0.177 0.000 2.268 174 G HA2 -0.372 3.588 3.960 0.000 0.000 0.240 174 G HA3 -0.372 3.588 3.960 0.000 0.000 0.240 174 G C 0.976 175.817 174.900 -0.098 0.000 1.010 174 G CA 0.438 45.432 45.100 -0.177 0.000 0.618 174 G HN 0.538 nan 8.290 nan 0.000 0.516 175 H N 0.369 119.400 119.070 -0.065 0.000 2.557 175 H HA 0.269 4.825 4.556 0.000 0.000 0.281 175 H C 1.514 176.788 175.328 -0.090 0.000 0.990 175 H CA 0.583 56.596 56.048 -0.058 0.000 1.278 175 H CB 0.424 30.092 29.762 -0.157 0.000 1.451 175 H HN 0.562 nan 8.280 nan 0.000 0.516 176 R N 0.570 121.055 120.500 -0.025 0.000 2.781 176 R HA 0.501 4.841 4.340 0.000 0.000 0.269 176 R C -1.964 174.319 176.300 -0.028 0.000 1.025 176 R CA -0.944 55.146 56.100 -0.016 0.000 0.914 176 R CB 1.859 32.116 30.300 -0.071 0.000 1.236 176 R HN 0.087 nan 8.270 nan 0.000 0.465 177 L N -0.027 121.199 121.223 0.005 0.000 2.424 177 L HA 0.851 5.191 4.340 0.000 0.000 0.258 177 L C -1.569 175.261 176.870 -0.066 0.000 0.995 177 L CA -0.528 54.292 54.840 -0.033 0.000 0.821 177 L CB 2.364 44.428 42.059 0.009 0.000 1.383 177 L HN 1.032 nan 8.230 nan 0.000 0.410 178 A N 3.181 125.887 122.820 -0.190 0.000 2.414 178 A HA 0.815 5.135 4.320 0.000 0.000 0.306 178 A C -1.746 175.588 177.584 -0.416 0.000 1.054 178 A CA -0.501 51.319 52.037 -0.361 0.000 0.724 178 A CB 2.042 20.833 19.000 -0.348 0.000 1.267 178 A HN 0.832 nan 8.150 nan 0.000 0.418 179 V N 1.362 120.939 119.914 -0.561 0.000 2.841 179 V HA 0.742 4.863 4.120 0.000 0.000 0.310 179 V C -1.137 174.688 176.094 -0.447 0.000 1.090 179 V CA -0.365 61.642 62.300 -0.488 0.000 0.930 179 V CB 1.400 32.859 31.823 -0.607 0.000 1.014 179 V HN 1.604 nan 8.190 nan 0.000 0.425 180 C N 5.004 124.098 119.300 -0.342 0.000 2.888 180 C HA 0.959 5.419 4.460 0.000 0.000 0.308 180 C C -0.327 174.540 174.990 -0.206 0.000 1.213 180 C CA 0.445 59.317 59.018 -0.244 0.000 1.461 180 C CB 1.340 28.975 27.740 -0.174 0.000 1.934 180 C HN 1.516 nan 8.230 nan 0.000 0.474 181 S N 5.106 120.717 115.700 -0.148 0.000 2.546 181 S HA 0.879 5.349 4.470 0.000 0.000 0.274 181 S C -1.179 173.374 174.600 -0.078 0.000 1.121 181 S CA -0.595 57.531 58.200 -0.123 0.000 0.887 181 S CB 1.683 64.805 63.200 -0.130 0.000 1.094 181 S HN 0.909 nan 8.310 nan 0.000 0.474 182 M N 2.415 121.976 119.600 -0.064 0.000 2.470 182 M HA 0.540 5.020 4.480 0.000 0.000 0.285 182 M C -2.846 173.429 176.300 -0.041 0.000 1.213 182 M CA -1.753 53.523 55.300 -0.040 0.000 0.901 182 M CB 3.097 35.684 32.600 -0.022 0.000 1.718 182 M HN 0.562 nan 8.290 nan 0.000 0.469 183 P HA 0.201 nan 4.420 nan 0.000 0.276 183 P C -0.226 177.058 177.300 -0.028 0.000 1.230 183 P CA -0.089 62.991 63.100 -0.033 0.000 0.776 183 P CB 0.395 32.082 31.700 -0.021 0.000 0.888 184 I N -1.234 119.308 120.570 -0.047 0.000 4.057 184 I HA 0.430 4.600 4.170 0.000 0.000 0.334 184 I C 1.250 177.362 176.117 -0.009 0.000 1.308 184 I CA 0.285 61.567 61.300 -0.030 0.000 1.125 184 I CB -0.529 37.423 38.000 -0.080 0.000 1.034 184 I HN 0.512 nan 8.210 nan 0.000 0.401 185 G N 1.038 109.828 108.800 -0.017 0.000 2.160 185 G HA2 -0.298 3.663 3.960 0.000 0.000 0.244 185 G HA3 -0.298 3.663 3.960 0.000 0.000 0.244 185 G C -0.046 174.855 174.900 0.001 0.000 1.022 185 G CA 0.485 45.583 45.100 -0.003 0.000 0.741 185 G HN 0.768 nan 8.290 nan 0.000 0.508 186 Q N -0.436 119.358 119.800 -0.011 0.000 2.352 186 Q HA 0.568 4.908 4.340 0.000 0.000 0.270 186 Q C -0.657 175.330 176.000 -0.022 0.000 1.006 186 Q CA -0.513 55.289 55.803 -0.001 0.000 0.880 186 Q CB 1.349 30.100 28.738 0.022 0.000 1.392 186 Q HN 0.191 nan 8.270 nan 0.000 0.401 187 S N 3.181 118.876 115.700 -0.008 0.000 2.545 187 S HA 0.555 5.025 4.470 0.000 0.000 0.275 187 S C -0.663 173.929 174.600 -0.013 0.000 1.299 187 S CA -0.205 57.987 58.200 -0.014 0.000 1.048 187 S CB 0.272 63.470 63.200 -0.003 0.000 0.938 187 S HN 0.434 nan 8.310 nan 0.000 0.496 188 L N 4.709 125.914 121.223 -0.031 0.000 2.388 188 L HA 0.537 4.878 4.340 0.000 0.000 0.264 188 L C -2.240 174.629 176.870 -0.002 0.000 0.998 188 L CA -2.261 52.556 54.840 -0.038 0.000 0.817 188 L CB 2.241 44.215 42.059 -0.142 0.000 1.338 188 L HN 0.422 nan 8.230 nan 0.000 0.414 189 P HA 0.151 nan 4.420 nan 0.000 0.280 189 P C -0.783 176.566 177.300 0.081 0.000 1.244 189 P CA -0.406 62.734 63.100 0.065 0.000 0.784 189 P CB 1.057 32.820 31.700 0.104 0.000 0.913 190 S N 2.990 118.727 115.700 0.061 0.000 2.509 190 S HA 0.114 4.585 4.470 0.000 0.000 0.287 190 S C 0.144 174.805 174.600 0.103 0.000 1.248 190 S CA 0.289 58.524 58.200 0.059 0.000 1.089 190 S CB -0.624 62.590 63.200 0.023 0.000 0.900 190 S HN 0.548 nan 8.310 nan 0.000 0.496 191 H N 0.989 120.073 119.070 0.023 0.000 3.079 191 H HA 0.496 5.052 4.556 0.000 0.000 0.356 191 H C -1.176 174.178 175.328 0.044 0.000 1.221 191 H CA -0.397 55.675 56.048 0.039 0.000 1.185 191 H CB 2.057 31.856 29.762 0.062 0.000 1.882 191 H HN 0.702 nan 8.280 nan 0.000 0.543 192 S N 2.688 118.493 115.700 0.174 0.000 2.533 192 S HA 0.677 5.147 4.470 0.000 0.000 0.271 192 S C -0.983 173.731 174.600 0.190 0.000 1.143 192 S CA -0.337 57.969 58.200 0.177 0.000 0.891 192 S CB 1.558 64.793 63.200 0.059 0.000 1.105 192 S HN 0.628 nan 8.310 nan 0.000 0.468 193 V N -0.138 119.890 119.914 0.190 0.000 3.130 193 V HA 0.766 4.886 4.120 0.000 0.000 0.310 193 V C -0.995 175.174 176.094 0.125 0.000 1.158 193 V CA -1.240 61.151 62.300 0.152 0.000 1.029 193 V CB 1.523 33.428 31.823 0.137 0.000 1.057 193 V HN 0.973 nan 8.190 nan 0.000 0.436 194 I N 1.642 122.281 120.570 0.114 0.000 2.355 194 I HA 0.508 4.678 4.170 0.000 0.000 0.288 194 I C -0.549 175.647 176.117 0.132 0.000 0.999 194 I CA -0.854 60.525 61.300 0.132 0.000 1.163 194 I CB 1.851 39.964 38.000 0.189 0.000 1.316 194 I HN 0.433 nan 8.210 nan 0.000 0.454 195 V N 8.735 128.755 119.914 0.176 0.000 2.432 195 V HA 0.287 4.407 4.120 0.000 0.000 0.275 195 V C -1.905 174.272 176.094 0.139 0.000 1.043 195 V CA -1.699 60.674 62.300 0.121 0.000 0.925 195 V CB 1.038 32.925 31.823 0.107 0.000 0.985 195 V HN 0.550 nan 8.190 nan 0.000 0.466 196 P HA 0.095 nan 4.420 nan 0.000 0.269 196 P C 0.564 177.918 177.300 0.090 0.000 1.215 196 P CA -0.256 62.902 63.100 0.097 0.000 0.780 196 P CB 0.530 32.276 31.700 0.075 0.000 0.898 197 R N 2.345 122.879 120.500 0.057 0.000 2.120 197 R HA -0.098 4.242 4.340 0.000 0.000 0.234 197 R C 1.520 177.840 176.300 0.033 0.000 1.123 197 R CA 1.238 57.352 56.100 0.023 0.000 0.975 197 R CB -0.710 29.558 30.300 -0.053 0.000 0.866 197 R HN 0.343 nan 8.270 nan 0.000 0.446 198 K N 0.742 121.169 120.400 0.044 0.000 2.148 198 K HA -0.013 4.307 4.320 0.000 0.000 0.204 198 K C 2.231 178.880 176.600 0.082 0.000 1.050 198 K CA 1.214 57.532 56.287 0.051 0.000 0.942 198 K CB -0.176 32.357 32.500 0.055 0.000 0.724 198 K HN 0.443 nan 8.250 nan 0.000 0.446 199 G N 0.825 109.708 108.800 0.138 0.000 2.408 199 G HA2 -0.187 3.774 3.960 0.000 0.000 0.217 199 G HA3 -0.187 3.774 3.960 0.000 0.000 0.217 199 G C 1.529 176.512 174.900 0.138 0.000 1.150 199 G CA 0.496 45.756 45.100 0.267 0.000 0.776 199 G HN 0.075 nan 8.290 nan 0.000 0.542 200 V N 1.301 121.278 119.914 0.105 0.000 2.358 200 V HA -0.120 4.001 4.120 0.000 0.000 0.246 200 V C 2.761 178.860 176.094 0.008 0.000 1.047 200 V CA 1.058 63.417 62.300 0.098 0.000 1.035 200 V CB -0.328 31.572 31.823 0.129 0.000 0.658 200 V HN 0.226 nan 8.190 nan 0.000 0.452 201 I N 0.270 120.836 120.570 -0.007 0.000 2.179 201 I HA -0.179 3.991 4.170 0.000 0.000 0.242 201 I C 2.532 178.580 176.117 -0.115 0.000 1.088 201 I CA 1.490 62.767 61.300 -0.037 0.000 1.357 201 I CB -1.265 36.726 38.000 -0.015 0.000 1.051 201 I HN 0.359 nan 8.210 nan 0.000 0.409 202 E N 1.031 121.125 120.200 -0.177 0.000 2.051 202 E HA -0.219 4.131 4.350 0.000 0.000 0.192 202 E C 2.148 178.410 176.600 -0.564 0.000 0.991 202 E CA 1.152 57.339 56.400 -0.355 0.000 0.799 202 E CB -0.664 28.794 29.700 -0.403 0.000 0.748 202 E HN 0.296 nan 8.360 nan 0.000 0.449 203 L N -0.060 120.780 121.223 -0.637 0.000 2.042 203 L HA -0.131 4.209 4.340 0.000 0.000 0.210 203 L C 2.402 179.121 176.870 -0.252 0.000 1.076 203 L CA 2.146 56.673 54.840 -0.521 0.000 0.749 203 L CB -0.701 41.219 42.059 -0.231 0.000 0.893 203 L HN 0.281 nan 8.230 nan 0.000 0.432 204 M N -0.627 118.880 119.600 -0.155 0.000 2.080 204 M HA -0.230 4.251 4.480 0.000 0.000 0.260 204 M C 2.437 178.663 176.300 -0.123 0.000 1.068 204 M CA 1.704 56.947 55.300 -0.095 0.000 1.109 204 M CB -0.351 32.224 32.600 -0.041 0.000 1.342 204 M HN 0.170 nan 8.290 nan 0.000 0.405 205 R N -0.752 119.657 120.500 -0.153 0.000 2.153 205 R HA -0.250 4.090 4.340 0.000 0.000 0.252 205 R C 2.260 178.452 176.300 -0.180 0.000 1.158 205 R CA 2.362 58.370 56.100 -0.153 0.000 0.975 205 R CB -0.366 29.836 30.300 -0.163 0.000 0.871 205 R HN 0.506 nan 8.270 nan 0.000 0.450 206 M N -0.044 119.424 119.600 -0.220 0.000 2.236 206 M HA 0.013 4.493 4.480 0.000 0.000 0.266 206 M C -0.143 176.040 176.300 -0.195 0.000 1.070 206 M CA 0.869 56.026 55.300 -0.238 0.000 1.137 206 M CB 0.379 32.832 32.600 -0.246 0.000 1.378 206 M HN 0.020 nan 8.290 nan 0.000 0.426 207 L N 2.435 123.577 121.223 -0.136 0.000 2.397 207 L HA 0.188 4.529 4.340 0.000 0.000 0.271 207 L C -0.463 176.355 176.870 -0.085 0.000 1.148 207 L CA -0.318 54.468 54.840 -0.088 0.000 0.825 207 L CB 0.484 42.516 42.059 -0.046 0.000 1.117 207 L HN 0.314 nan 8.230 nan 0.000 0.456 208 D N 1.612 121.969 120.400 -0.071 0.000 2.753 208 D HA 0.156 4.796 4.640 0.000 0.000 0.224 208 D C 0.695 176.974 176.300 -0.035 0.000 1.213 208 D CA -0.364 53.597 54.000 -0.065 0.000 0.833 208 D CB 1.753 42.497 40.800 -0.093 0.000 1.607 208 D HN 0.523 nan 8.370 nan 0.000 0.463 209 G N 1.521 110.307 108.800 -0.023 0.000 2.759 209 G HA2 -0.105 3.856 3.960 0.000 0.000 0.224 209 G HA3 -0.105 3.856 3.960 0.000 0.000 0.224 209 G C 1.108 176.006 174.900 -0.003 0.000 1.173 209 G CA 1.589 46.684 45.100 -0.009 0.000 0.770 209 G HN 1.593 nan 8.290 nan 0.000 0.626 210 G N -0.121 108.676 108.800 -0.005 0.000 3.320 210 G HA2 -0.114 3.846 3.960 0.000 0.000 0.430 210 G HA3 -0.114 3.846 3.960 0.000 0.000 0.430 210 G C 0.244 175.152 174.900 0.013 0.000 0.806 210 G CA 0.717 45.818 45.100 0.003 0.000 0.746 210 G HN 0.457 nan 8.290 nan 0.000 0.414 211 D N 1.726 122.136 120.400 0.017 0.000 2.127 211 D HA -0.152 4.488 4.640 0.000 0.000 0.190 211 D C 1.470 177.785 176.300 0.025 0.000 1.000 211 D CA 2.021 56.034 54.000 0.021 0.000 0.839 211 D CB -0.131 40.684 40.800 0.024 0.000 0.955 211 D HN 0.855 nan 8.370 nan 0.000 0.446 212 N N 1.826 120.545 118.700 0.031 0.000 2.492 212 N HA 0.155 4.895 4.740 0.000 0.000 0.262 212 N C -2.404 173.128 175.510 0.037 0.000 1.202 212 N CA -0.823 52.251 53.050 0.039 0.000 0.926 212 N CB -0.132 38.389 38.487 0.057 0.000 1.078 212 N HN 0.111 nan 8.380 nan 0.000 0.454 213 P HA 0.104 nan 4.420 nan 0.000 0.274 213 P C -0.772 176.554 177.300 0.043 0.000 1.256 213 P CA -0.572 62.551 63.100 0.038 0.000 0.795 213 P CB 0.663 32.383 31.700 0.032 0.000 1.038 214 L N 1.444 122.693 121.223 0.044 0.000 2.282 214 L HA 0.419 4.759 4.340 0.000 0.000 0.288 214 L C -0.044 176.826 176.870 -0.000 0.000 1.033 214 L CA -0.501 54.363 54.840 0.041 0.000 0.807 214 L CB 0.745 42.833 42.059 0.049 0.000 1.209 214 L HN 0.253 nan 8.230 nan 0.000 0.423 215 R N 3.843 124.330 120.500 -0.021 0.000 2.393 215 R HA 0.762 5.102 4.340 0.000 0.000 0.310 215 R C -1.281 174.921 176.300 -0.164 0.000 0.968 215 R CA -0.747 55.272 56.100 -0.135 0.000 0.867 215 R CB 1.954 32.122 30.300 -0.219 0.000 1.124 215 R HN 0.461 nan 8.270 nan 0.000 0.450 216 V N 3.015 122.694 119.914 -0.392 0.000 2.540 216 V HA 0.316 4.436 4.120 0.000 0.000 0.302 216 V C -0.510 175.326 176.094 -0.430 0.000 1.035 216 V CA -0.807 61.229 62.300 -0.440 0.000 0.873 216 V CB 1.893 33.203 31.823 -0.855 0.000 0.992 216 V HN 0.702 nan 8.190 nan 0.000 0.428 217 Q N 4.274 123.980 119.800 -0.156 0.000 2.331 217 Q HA 0.645 4.985 4.340 0.000 0.000 0.267 217 Q C -1.250 174.778 176.000 0.048 0.000 1.006 217 Q CA -0.455 55.326 55.803 -0.036 0.000 0.818 217 Q CB 2.840 31.630 28.738 0.086 0.000 1.276 217 Q HN 0.636 nan 8.270 nan 0.000 0.450 218 I N 1.954 122.527 120.570 0.006 0.000 2.362 218 I HA 0.446 4.616 4.170 0.000 0.000 0.289 218 I C 0.510 176.637 176.117 0.017 0.000 0.994 218 I CA -0.601 60.669 61.300 -0.051 0.000 1.158 218 I CB 1.539 39.436 38.000 -0.171 0.000 1.315 218 I HN 0.628 nan 8.210 nan 0.000 0.451 219 G N 2.655 111.447 108.800 -0.014 0.000 2.557 219 G HA2 0.211 4.171 3.960 0.000 0.000 0.302 219 G HA3 0.211 4.171 3.960 0.000 0.000 0.302 219 G C 0.698 175.562 174.900 -0.059 0.000 1.311 219 G CA -0.285 44.827 45.100 0.021 0.000 1.030 219 G HN 0.534 nan 8.290 nan 0.000 0.509 220 S N -0.989 114.707 115.700 -0.007 0.000 2.368 220 S HA -0.112 4.358 4.470 0.000 0.000 0.225 220 S C 1.575 176.136 174.600 -0.064 0.000 1.030 220 S CA 1.951 60.159 58.200 0.015 0.000 0.999 220 S CB -0.269 62.947 63.200 0.026 0.000 0.844 220 S HN 0.621 nan 8.310 nan 0.000 0.459 221 N N -0.063 118.514 118.700 -0.206 0.000 2.167 221 N HA 0.293 5.033 4.740 0.000 0.000 0.234 221 N C -1.226 174.038 175.510 -0.409 0.000 1.312 221 N CA -0.257 52.653 53.050 -0.232 0.000 0.861 221 N CB 0.781 39.156 38.487 -0.188 0.000 1.217 221 N HN 0.235 nan 8.380 nan 0.000 0.504 222 N N 0.407 118.717 118.700 -0.649 0.000 2.494 222 N HA 0.507 5.247 4.740 0.000 0.000 0.270 222 N C -1.890 173.202 175.510 -0.697 0.000 1.285 222 N CA -0.670 51.866 53.050 -0.856 0.000 0.812 222 N CB 2.425 39.907 38.487 -1.675 0.000 1.557 222 N HN -0.033 nan 8.380 nan 0.000 0.487 223 I N -0.038 120.264 120.570 -0.448 0.000 2.608 223 I HA 0.562 4.732 4.170 0.000 0.000 0.295 223 I C -1.237 174.814 176.117 -0.110 0.000 1.049 223 I CA -0.789 60.372 61.300 -0.232 0.000 1.063 223 I CB 1.625 39.495 38.000 -0.216 0.000 1.248 223 I HN 0.476 nan 8.210 nan 0.000 0.424 224 R N 5.498 126.054 120.500 0.093 0.000 2.621 224 R HA 0.828 5.168 4.340 0.000 0.000 0.292 224 R C -1.722 174.657 176.300 0.132 0.000 0.969 224 R CA -0.581 55.602 56.100 0.138 0.000 0.887 224 R CB 1.988 32.483 30.300 0.325 0.000 1.180 224 R HN 0.715 nan 8.270 nan 0.000 0.450 225 A N 4.191 127.106 122.820 0.158 0.000 2.335 225 A HA 0.444 4.764 4.320 0.000 0.000 0.304 225 A C -1.375 176.336 177.584 0.211 0.000 1.118 225 A CA -0.627 51.520 52.037 0.184 0.000 0.757 225 A CB 0.826 19.951 19.000 0.208 0.000 1.188 225 A HN 0.858 nan 8.150 nan 0.000 0.460 226 H N 1.427 120.521 119.070 0.041 0.000 2.481 226 H HA 0.552 5.109 4.556 0.001 0.000 0.333 226 H C -1.214 174.152 175.328 0.063 0.000 1.066 226 H CA -0.695 55.388 56.048 0.058 0.000 1.209 226 H CB 2.007 31.778 29.762 0.014 0.000 1.445 226 H HN 0.367 nan 8.280 nan 0.000 0.488 227 V N 2.984 123.029 119.914 0.218 0.000 2.482 227 V HA 0.323 4.443 4.120 0.000 0.000 0.295 227 V C 0.904 177.137 176.094 0.233 0.000 1.026 227 V CA -0.036 62.364 62.300 0.166 0.000 0.856 227 V CB 1.147 33.030 31.823 0.100 0.000 1.001 227 V HN 1.208 nan 8.190 nan 0.000 0.424 228 G N 4.481 113.387 108.800 0.176 0.000 2.685 228 G HA2 -0.281 3.680 3.960 0.000 0.000 0.329 228 G HA3 -0.281 3.680 3.960 0.000 0.000 0.329 228 G C 0.285 175.276 174.900 0.152 0.000 1.271 228 G CA 0.851 46.057 45.100 0.178 0.000 1.003 228 G HN 0.698 nan 8.290 nan 0.000 0.549 229 D N 0.971 121.444 120.400 0.121 0.000 2.615 229 D HA 0.420 5.060 4.640 0.000 0.000 0.236 229 D C -0.238 175.792 176.300 -0.450 0.000 1.233 229 D CA 0.290 54.181 54.000 -0.183 0.000 0.829 229 D CB -0.015 40.608 40.800 -0.295 0.000 1.024 229 D HN 0.153 nan 8.370 nan 0.000 0.490 230 F N 0.576 120.524 119.950 -0.003 0.000 2.551 230 F HA 0.501 5.028 4.527 0.000 0.000 0.316 230 F C 0.268 176.050 175.800 -0.031 0.000 1.089 230 F CA -0.945 57.051 58.000 -0.007 0.000 0.915 230 F CB 2.307 41.313 39.000 0.010 0.000 1.186 230 F HN -0.277 nan 8.300 nan 0.000 0.456 231 I N 3.452 124.083 120.570 0.102 0.000 2.497 231 I HA 0.205 4.375 4.170 0.000 0.000 0.284 231 I C -1.391 174.772 176.117 0.076 0.000 1.060 231 I CA -0.530 60.722 61.300 -0.080 0.000 1.071 231 I CB 1.958 39.773 38.000 -0.308 0.000 1.216 231 I HN 0.425 nan 8.210 nan 0.000 0.442 232 F N 5.987 125.918 119.950 -0.031 0.000 2.404 232 F HA 0.618 5.145 4.527 0.000 0.000 0.339 232 F C -0.206 175.598 175.800 0.006 0.000 1.105 232 F CA 0.067 58.067 58.000 0.001 0.000 1.087 232 F CB 1.497 40.500 39.000 0.006 0.000 1.143 232 F HN 0.305 nan 8.300 nan 0.000 0.491 233 T N 4.364 118.387 114.554 -0.886 0.000 2.886 233 T HA 0.499 4.849 4.350 0.000 0.000 0.292 233 T C -1.205 172.900 174.700 -0.993 0.000 1.012 233 T CA -0.731 60.958 62.100 -0.684 0.000 0.982 233 T CB 1.545 70.310 68.868 -0.172 0.000 1.018 233 T HN 0.613 nan 8.240 nan 0.000 0.451 234 S N 1.698 116.971 115.700 -0.712 0.000 2.548 234 S HA 0.569 5.039 4.470 0.000 0.000 0.286 234 S C -0.667 173.750 174.600 -0.304 0.000 1.098 234 S CA -0.914 57.020 58.200 -0.444 0.000 0.930 234 S CB 0.927 63.966 63.200 -0.268 0.000 1.070 234 S HN 0.575 nan 8.310 nan 0.000 0.480 235 K N 2.042 122.313 120.400 -0.215 0.000 2.276 235 K HA 0.368 4.688 4.320 0.000 0.000 0.259 235 K C -0.432 176.080 176.600 -0.146 0.000 1.001 235 K CA -0.142 56.024 56.287 -0.202 0.000 0.927 235 K CB 0.325 32.747 32.500 -0.131 0.000 0.969 235 K HN 0.493 nan 8.250 nan 0.000 0.490 236 L N 1.068 122.210 121.223 -0.136 0.000 2.358 236 L HA 0.352 4.692 4.340 0.000 0.000 0.268 236 L C -0.332 176.541 176.870 0.005 0.000 1.032 236 L CA -1.231 53.574 54.840 -0.060 0.000 0.805 236 L CB 1.568 43.585 42.059 -0.070 0.000 1.253 236 L HN 0.270 nan 8.230 nan 0.000 0.452 237 V N 0.381 120.341 119.914 0.077 0.000 2.465 237 V HA 0.091 4.211 4.120 0.000 0.000 0.279 237 V C -0.340 175.853 176.094 0.166 0.000 1.045 237 V CA -0.332 62.058 62.300 0.149 0.000 0.938 237 V CB 1.420 33.386 31.823 0.239 0.000 0.986 237 V HN 0.633 nan 8.190 nan 0.000 0.467 238 D N 3.873 124.370 120.400 0.161 0.000 2.479 238 D HA 0.565 5.205 4.640 0.000 0.000 0.218 238 D C 0.135 176.595 176.300 0.267 0.000 1.131 238 D CA 0.258 54.342 54.000 0.140 0.000 0.916 238 D CB 0.511 41.347 40.800 0.060 0.000 1.022 238 D HN 0.749 nan 8.370 nan 0.000 0.515 239 G N 1.992 110.940 108.800 0.247 0.000 2.623 239 G HA2 0.407 4.368 3.960 0.000 0.000 0.290 239 G HA3 0.407 4.368 3.960 0.000 0.000 0.290 239 G C -1.326 173.561 174.900 -0.022 0.000 1.437 239 G CA -1.154 44.066 45.100 0.200 0.000 0.798 239 G HN 0.325 nan 8.290 nan 0.000 0.488 240 R N 0.113 120.453 120.500 -0.267 0.000 2.202 240 R HA 0.533 4.874 4.340 0.000 0.000 0.334 240 R C -0.705 175.345 176.300 -0.416 0.000 1.036 240 R CA -0.627 55.309 56.100 -0.272 0.000 0.878 240 R CB 0.169 30.302 30.300 -0.279 0.000 1.067 240 R HN 0.357 nan 8.270 nan 0.000 0.457 241 F N 6.447 126.255 119.950 -0.236 0.000 2.471 241 F HA 0.313 4.840 4.527 0.000 0.000 0.353 241 F C -1.448 174.273 175.800 -0.131 0.000 1.113 241 F CA -1.545 56.380 58.000 -0.125 0.000 1.262 241 F CB 0.609 39.608 39.000 -0.002 0.000 1.146 241 F HN 0.556 nan 8.300 nan 0.000 0.578 242 P HA -0.006 nan 4.420 nan 0.000 0.269 242 P C -1.223 176.066 177.300 -0.018 0.000 1.215 242 P CA -0.179 62.781 63.100 -0.233 0.000 0.780 242 P CB 0.500 32.023 31.700 -0.295 0.000 0.898 243 D N 1.489 121.859 120.400 -0.051 0.000 2.344 243 D HA -0.042 4.599 4.640 0.000 0.000 0.253 243 D C 1.117 177.365 176.300 -0.088 0.000 1.255 243 D CA -0.276 53.680 54.000 -0.073 0.000 0.894 243 D CB 0.016 40.738 40.800 -0.130 0.000 1.067 243 D HN 0.341 nan 8.370 nan 0.000 0.492 244 Y N 4.216 124.559 120.300 0.071 0.000 2.241 244 Y HA -0.196 4.355 4.550 0.000 0.000 0.286 244 Y C 1.714 177.623 175.900 0.015 0.000 1.166 244 Y CA 1.274 59.403 58.100 0.050 0.000 1.203 244 Y CB -0.493 38.004 38.460 0.062 0.000 0.977 244 Y HN 0.309 nan 8.280 nan 0.000 0.529 245 R N 0.495 120.591 120.500 -0.675 0.000 2.120 245 R HA -0.039 4.301 4.340 0.000 0.000 0.234 245 R C 2.241 178.472 176.300 -0.115 0.000 1.123 245 R CA 1.583 57.455 56.100 -0.380 0.000 0.975 245 R CB -0.276 29.741 30.300 -0.471 0.000 0.866 245 R HN 0.404 nan 8.270 nan 0.000 0.446 246 R N -0.164 120.270 120.500 -0.111 0.000 2.280 246 R HA 0.006 4.346 4.340 0.000 0.000 0.207 246 R C 1.479 177.773 176.300 -0.010 0.000 1.043 246 R CA 0.505 56.573 56.100 -0.054 0.000 1.006 246 R CB 0.223 30.486 30.300 -0.062 0.000 0.885 246 R HN 0.060 nan 8.270 nan 0.000 0.467 247 V N 1.125 121.049 119.914 0.017 0.000 3.660 247 V HA 0.093 4.213 4.120 0.000 0.000 0.276 247 V C 0.665 176.799 176.094 0.067 0.000 1.317 247 V CA 0.121 62.446 62.300 0.041 0.000 1.097 247 V CB 0.068 31.916 31.823 0.042 0.000 0.863 247 V HN 0.162 nan 8.190 nan 0.000 0.438 248 L N 2.320 123.596 121.223 0.087 0.000 2.525 248 L HA 0.130 4.471 4.340 0.000 0.000 0.278 248 L C -2.015 174.894 176.870 0.066 0.000 1.218 248 L CA -1.302 53.592 54.840 0.090 0.000 0.878 248 L CB -0.488 41.639 42.059 0.112 0.000 1.127 248 L HN 0.086 nan 8.230 nan 0.000 0.492 249 P HA 0.009 nan 4.420 nan 0.000 0.262 249 P C -0.292 177.038 177.300 0.050 0.000 1.182 249 P CA 0.121 63.255 63.100 0.057 0.000 0.761 249 P CB 0.647 32.385 31.700 0.063 0.000 0.795 250 K N 2.012 122.435 120.400 0.038 0.000 2.007 250 K HA -0.050 4.270 4.320 0.000 0.000 0.206 250 K C 0.571 177.193 176.600 0.036 0.000 1.047 250 K CA 1.399 57.706 56.287 0.032 0.000 0.937 250 K CB -0.187 32.326 32.500 0.022 0.000 0.718 250 K HN 0.337 nan 8.250 nan 0.000 0.438 251 N N 0.430 119.149 118.700 0.032 0.000 2.727 251 N HA 0.206 4.946 4.740 0.000 0.000 0.252 251 N C -2.935 172.589 175.510 0.023 0.000 1.283 251 N CA -1.573 51.498 53.050 0.035 0.000 0.782 251 N CB 1.171 39.677 38.487 0.032 0.000 1.199 251 N HN -0.145 nan 8.380 nan 0.000 0.520 252 P HA 0.162 nan 4.420 nan 0.000 0.275 252 P C -0.373 176.851 177.300 -0.126 0.000 1.276 252 P CA -0.071 63.001 63.100 -0.046 0.000 0.782 252 P CB 0.708 32.393 31.700 -0.025 0.000 0.851 253 D N 2.030 122.361 120.400 -0.115 0.000 2.369 253 D HA 0.033 4.673 4.640 0.000 0.000 0.211 253 D C -0.115 176.084 176.300 -0.168 0.000 1.077 253 D CA 0.174 54.127 54.000 -0.079 0.000 0.842 253 D CB 0.402 41.206 40.800 0.006 0.000 0.947 253 D HN 0.256 nan 8.370 nan 0.000 0.509 254 K N 0.038 120.277 120.400 -0.269 0.000 2.292 254 K HA 0.452 4.773 4.320 0.000 0.000 0.257 254 K C -1.329 175.118 176.600 -0.255 0.000 0.940 254 K CA -0.612 55.639 56.287 -0.060 0.000 0.811 254 K CB 1.623 34.224 32.500 0.168 0.000 1.120 254 K HN 0.041 nan 8.250 nan 0.000 0.428 255 H N 1.376 120.609 119.070 0.271 0.000 2.689 255 H HA 0.375 4.931 4.556 0.000 0.000 0.346 255 H C -1.357 174.160 175.328 0.316 0.000 1.037 255 H CA -0.680 55.496 56.048 0.212 0.000 1.234 255 H CB 1.564 31.398 29.762 0.119 0.000 1.572 255 H HN 0.256 nan 8.280 nan 0.000 0.524 256 L N 2.709 124.128 121.223 0.326 0.000 2.341 256 L HA 0.487 4.827 4.340 0.000 0.000 0.278 256 L C -0.806 176.174 176.870 0.184 0.000 1.005 256 L CA -0.445 54.560 54.840 0.274 0.000 0.818 256 L CB 1.268 43.378 42.059 0.086 0.000 1.259 256 L HN 0.642 nan 8.230 nan 0.000 0.418 257 E N 3.819 124.115 120.200 0.158 0.000 2.227 257 E HA 0.784 5.134 4.350 0.000 0.000 0.268 257 E C -1.233 175.417 176.600 0.083 0.000 0.907 257 E CA -0.931 55.533 56.400 0.106 0.000 0.786 257 E CB 2.363 32.115 29.700 0.086 0.000 1.191 257 E HN 0.688 nan 8.360 nan 0.000 0.411 258 A N 1.051 123.909 122.820 0.064 0.000 2.587 258 A HA 0.691 5.011 4.320 0.000 0.000 0.293 258 A C -0.297 177.310 177.584 0.038 0.000 1.087 258 A CA -0.451 51.615 52.037 0.048 0.000 0.692 258 A CB 1.535 20.563 19.000 0.046 0.000 1.291 258 A HN 0.581 nan 8.150 nan 0.000 0.407 259 G N -0.477 108.339 108.800 0.026 0.000 2.343 259 G HA2 0.337 4.298 3.960 0.000 0.000 0.254 259 G HA3 0.337 4.298 3.960 0.000 0.000 0.254 259 G C 1.019 175.931 174.900 0.020 0.000 1.277 259 G CA 0.463 45.575 45.100 0.020 0.000 0.909 259 G HN 1.287 nan 8.290 nan 0.000 0.502 260 C N 1.938 121.249 119.300 0.018 0.000 2.429 260 C HA -0.085 4.375 4.460 0.000 0.000 0.277 260 C C 2.329 177.327 174.990 0.014 0.000 1.262 260 C CA 1.672 60.700 59.018 0.016 0.000 1.733 260 C CB -0.627 27.116 27.740 0.005 0.000 2.010 260 C HN 0.919 nan 8.230 nan 0.000 0.483 261 D N -0.374 120.030 120.400 0.007 0.000 2.123 261 D HA -0.051 4.590 4.640 0.000 0.000 0.200 261 D C 2.159 178.461 176.300 0.003 0.000 0.976 261 D CA 1.020 55.022 54.000 0.003 0.000 0.831 261 D CB -0.202 40.597 40.800 -0.002 0.000 0.974 261 D HN 0.511 nan 8.370 nan 0.000 0.469 262 L N -0.067 121.155 121.223 -0.002 0.000 2.093 262 L HA -0.106 4.234 4.340 0.000 0.000 0.208 262 L C 2.258 179.113 176.870 -0.025 0.000 1.085 262 L CA 0.320 55.152 54.840 -0.014 0.000 0.755 262 L CB -0.282 41.767 42.059 -0.017 0.000 0.904 262 L HN 0.203 nan 8.230 nan 0.000 0.435 263 L N 0.289 121.511 121.223 -0.001 0.000 2.017 263 L HA -0.259 4.081 4.340 0.000 0.000 0.208 263 L C 2.589 179.523 176.870 0.106 0.000 1.073 263 L CA 1.861 56.712 54.840 0.018 0.000 0.745 263 L CB -0.551 41.567 42.059 0.097 0.000 0.894 263 L HN 0.140 nan 8.230 nan 0.000 0.432 264 K N -1.435 119.032 120.400 0.112 0.000 2.057 264 K HA -0.197 4.124 4.320 0.000 0.000 0.207 264 K C 2.032 178.685 176.600 0.088 0.000 1.049 264 K CA 1.384 57.749 56.287 0.129 0.000 0.931 264 K CB -0.024 32.498 32.500 0.038 0.000 0.714 264 K HN 0.363 nan 8.250 nan 0.000 0.440 265 Q N -0.069 119.748 119.800 0.027 0.000 2.167 265 Q HA -0.055 4.286 4.340 0.000 0.000 0.202 265 Q C 2.022 178.015 176.000 -0.012 0.000 0.970 265 Q CA 1.308 57.116 55.803 0.008 0.000 0.855 265 Q CB -0.209 28.523 28.738 -0.009 0.000 0.911 265 Q HN 0.409 nan 8.270 nan 0.000 0.438 266 A N 0.112 122.893 122.820 -0.065 0.000 1.902 266 A HA -0.138 4.182 4.320 0.000 0.000 0.217 266 A C 1.853 179.338 177.584 -0.165 0.000 1.181 266 A CA 1.031 52.978 52.037 -0.150 0.000 0.623 266 A CB -0.693 18.158 19.000 -0.248 0.000 0.818 266 A HN 0.235 nan 8.150 nan 0.000 0.443 267 F N 0.227 120.165 119.950 -0.019 0.000 2.134 267 F HA -0.074 4.453 4.527 0.000 0.000 0.299 267 F C 2.788 178.574 175.800 -0.023 0.000 1.097 267 F CA 0.813 58.801 58.000 -0.020 0.000 1.264 267 F CB -0.693 38.285 39.000 -0.037 0.000 1.001 267 F HN 0.256 nan 8.300 nan 0.000 0.479 268 A N -0.195 122.717 122.820 0.154 0.000 1.969 268 A HA -0.156 4.164 4.320 0.000 0.000 0.218 268 A C 2.331 179.942 177.584 0.046 0.000 1.169 268 A CA 1.401 53.485 52.037 0.078 0.000 0.635 268 A CB -0.525 18.499 19.000 0.040 0.000 0.810 268 A HN 0.310 nan 8.150 nan 0.000 0.445 269 R N -0.818 119.698 120.500 0.027 0.000 2.093 269 R HA 0.066 4.406 4.340 0.000 0.000 0.224 269 R C 2.490 178.802 176.300 0.019 0.000 1.101 269 R CA 0.944 57.050 56.100 0.011 0.000 0.979 269 R CB -0.368 29.927 30.300 -0.009 0.000 0.877 269 R HN 0.483 nan 8.270 nan 0.000 0.441 270 A N 1.424 124.260 122.820 0.026 0.000 1.940 270 A HA -0.137 4.183 4.320 0.000 0.000 0.219 270 A C 2.343 179.964 177.584 0.061 0.000 1.176 270 A CA 1.700 53.762 52.037 0.041 0.000 0.631 270 A CB -0.587 18.445 19.000 0.054 0.000 0.814 270 A HN 0.386 nan 8.150 nan 0.000 0.446 271 A N 0.040 122.908 122.820 0.079 0.000 2.024 271 A HA -0.123 4.198 4.320 0.000 0.000 0.220 271 A C 2.019 179.621 177.584 0.030 0.000 1.164 271 A CA 1.483 53.555 52.037 0.059 0.000 0.643 271 A CB -0.695 18.334 19.000 0.049 0.000 0.806 271 A HN 0.546 nan 8.150 nan 0.000 0.451 272 I N -0.736 119.848 120.570 0.024 0.000 2.248 272 I HA -0.237 3.933 4.170 0.000 0.000 0.248 272 I C 1.353 177.478 176.117 0.014 0.000 1.107 272 I CA 1.189 62.497 61.300 0.013 0.000 1.373 272 I CB -0.182 37.824 38.000 0.009 0.000 1.055 272 I HN 0.247 nan 8.210 nan 0.000 0.418 273 L N 0.429 121.665 121.223 0.020 0.000 2.872 273 L HA 0.187 4.527 4.340 0.000 0.000 0.245 273 L C 0.884 177.771 176.870 0.029 0.000 1.211 273 L CA -0.377 54.475 54.840 0.020 0.000 1.013 273 L CB -0.271 41.799 42.059 0.018 0.000 1.326 273 L HN 0.193 nan 8.230 nan 0.000 0.525 274 S N -1.247 114.472 115.700 0.031 0.000 2.617 274 S HA 0.160 4.630 4.470 0.000 0.000 0.269 274 S C 0.307 174.928 174.600 0.035 0.000 1.292 274 S CA -0.691 57.531 58.200 0.038 0.000 1.010 274 S CB 1.255 64.478 63.200 0.037 0.000 0.944 274 S HN 0.275 nan 8.310 nan 0.000 0.536 275 N N 1.018 119.751 118.700 0.055 0.000 2.411 275 N HA -0.053 4.688 4.740 0.000 0.000 0.261 275 N C 0.794 176.322 175.510 0.030 0.000 1.248 275 N CA 0.392 53.489 53.050 0.077 0.000 0.885 275 N CB 0.358 38.946 38.487 0.168 0.000 1.062 275 N HN 0.785 nan 8.380 nan 0.000 0.471 276 E N 2.915 123.114 120.200 -0.002 0.000 2.153 276 E HA -0.205 4.146 4.350 0.000 0.000 0.194 276 E C 1.375 177.909 176.600 -0.112 0.000 0.988 276 E CA 1.075 57.447 56.400 -0.047 0.000 0.811 276 E CB 0.232 29.906 29.700 -0.044 0.000 0.746 276 E HN 0.634 nan 8.360 nan 0.000 0.466 277 K N -0.184 120.104 120.400 -0.187 0.000 2.098 277 K HA -0.042 4.278 4.320 0.000 0.000 0.203 277 K C 1.285 177.586 176.600 -0.498 0.000 1.051 277 K CA 0.875 56.901 56.287 -0.435 0.000 0.957 277 K CB 0.143 32.192 32.500 -0.753 0.000 0.738 277 K HN 0.013 nan 8.250 nan 0.000 0.447 278 F N 0.615 120.529 119.950 -0.060 0.000 2.717 278 F HA 0.283 4.810 4.527 0.000 0.000 0.295 278 F C 0.380 176.109 175.800 -0.118 0.000 1.117 278 F CA -0.207 57.742 58.000 -0.084 0.000 1.361 278 F CB 0.572 39.533 39.000 -0.065 0.000 1.112 278 F HN -0.082 nan 8.300 nan 0.000 0.594 279 R N 0.195 120.728 120.500 0.055 0.000 3.758 279 R HA -0.155 4.185 4.340 0.000 0.000 0.299 279 R C 0.461 176.756 176.300 -0.008 0.000 1.182 279 R CA 0.668 56.756 56.100 -0.019 0.000 0.809 279 R CB -2.641 27.589 30.300 -0.117 0.000 1.249 279 R HN 0.384 nan 8.270 nan 0.000 0.497 280 G N 0.583 109.405 108.800 0.036 0.000 2.403 280 G HA2 0.446 4.406 3.960 0.000 0.000 0.259 280 G HA3 0.446 4.406 3.960 0.000 0.000 0.259 280 G C 0.414 175.340 174.900 0.043 0.000 1.244 280 G CA 0.158 45.268 45.100 0.016 0.000 0.849 280 G HN 0.226 nan 8.290 nan 0.000 0.532 281 V N 0.274 120.231 119.914 0.072 0.000 3.040 281 V HA 0.793 4.914 4.120 0.000 0.000 0.312 281 V C -0.363 175.796 176.094 0.108 0.000 1.115 281 V CA -1.647 60.728 62.300 0.125 0.000 0.998 281 V CB 2.110 34.074 31.823 0.234 0.000 1.042 281 V HN 0.750 nan 8.190 nan 0.000 0.433 282 R N 1.719 122.277 120.500 0.097 0.000 2.562 282 R HA 0.796 5.137 4.340 0.000 0.000 0.298 282 R C -1.736 174.575 176.300 0.017 0.000 0.961 282 R CA -0.727 55.357 56.100 -0.026 0.000 0.881 282 R CB 1.971 32.224 30.300 -0.078 0.000 1.159 282 R HN 0.632 nan 8.270 nan 0.000 0.450 283 L N 3.289 124.469 121.223 -0.071 0.000 2.341 283 L HA 0.429 4.769 4.340 0.000 0.000 0.278 283 L C -1.276 175.507 176.870 -0.145 0.000 1.005 283 L CA -0.414 54.457 54.840 0.051 0.000 0.818 283 L CB 1.269 43.437 42.059 0.181 0.000 1.259 283 L HN 0.487 nan 8.230 nan 0.000 0.418 284 Y N 2.640 122.942 120.300 0.004 0.000 2.331 284 Y HA 0.613 5.163 4.550 0.000 0.000 0.334 284 Y C -0.011 175.856 175.900 -0.053 0.000 0.960 284 Y CA -1.186 56.904 58.100 -0.017 0.000 1.130 284 Y CB 1.898 40.350 38.460 -0.012 0.000 1.164 284 Y HN 0.333 nan 8.280 nan 0.000 0.458 285 V N 0.880 120.811 119.914 0.029 0.000 2.547 285 V HA 0.980 5.100 4.120 0.000 0.000 0.299 285 V C -0.240 175.852 176.094 -0.004 0.000 1.040 285 V CA -0.507 61.704 62.300 -0.149 0.000 0.913 285 V CB 1.175 32.658 31.823 -0.567 0.000 0.992 285 V HN 0.805 nan 8.190 nan 0.000 0.449 286 S N 1.651 117.409 115.700 0.097 0.000 2.757 286 S HA 0.546 5.016 4.470 0.000 0.000 0.285 286 S C -0.609 174.188 174.600 0.329 0.000 1.196 286 S CA -0.721 57.628 58.200 0.249 0.000 0.856 286 S CB 1.125 64.410 63.200 0.142 0.000 1.212 286 S HN 1.117 nan 8.310 nan 0.000 0.516 287 E N 1.557 121.888 120.200 0.219 0.000 2.415 287 E HA 0.256 4.606 4.350 0.000 0.000 0.260 287 E C -0.167 176.528 176.600 0.158 0.000 1.016 287 E CA 0.361 56.865 56.400 0.174 0.000 0.924 287 E CB -0.412 29.333 29.700 0.075 0.000 0.961 287 E HN 0.507 nan 8.360 nan 0.000 0.459 288 N N 3.008 121.823 118.700 0.192 0.000 2.710 288 N HA -0.280 4.460 4.740 0.000 0.000 0.249 288 N C -1.060 174.515 175.510 0.108 0.000 1.059 288 N CA 1.339 54.475 53.050 0.143 0.000 0.720 288 N CB -0.972 37.564 38.487 0.082 0.000 0.983 288 N HN 0.734 nan 8.380 nan 0.000 0.544 289 Q N -0.263 119.609 119.800 0.120 0.000 2.377 289 Q HA 0.614 4.954 4.340 0.000 0.000 0.279 289 Q C -1.836 174.181 176.000 0.028 0.000 1.049 289 Q CA -0.885 54.952 55.803 0.057 0.000 0.825 289 Q CB 1.700 30.464 28.738 0.045 0.000 1.401 289 Q HN 0.189 nan 8.270 nan 0.000 0.404 290 L N 2.456 123.678 121.223 -0.002 0.000 2.386 290 L HA 0.642 4.982 4.340 0.000 0.000 0.271 290 L C -1.734 175.127 176.870 -0.015 0.000 0.993 290 L CA -0.177 54.653 54.840 -0.016 0.000 0.819 290 L CB 1.837 43.870 42.059 -0.044 0.000 1.294 290 L HN 0.614 nan 8.230 nan 0.000 0.414 291 K N 5.382 125.806 120.400 0.039 0.000 2.292 291 K HA 0.665 4.986 4.320 0.000 0.000 0.257 291 K C -1.611 175.054 176.600 0.108 0.000 0.940 291 K CA -0.575 55.731 56.287 0.032 0.000 0.811 291 K CB 1.284 33.775 32.500 -0.015 0.000 1.120 291 K HN 0.753 nan 8.250 nan 0.000 0.428 292 I N 3.207 123.781 120.570 0.007 0.000 2.433 292 I HA 0.294 4.464 4.170 0.000 0.000 0.292 292 I C -0.154 176.007 176.117 0.074 0.000 1.001 292 I CA -0.693 60.620 61.300 0.021 0.000 1.119 292 I CB 2.204 40.064 38.000 -0.234 0.000 1.289 292 I HN 0.748 nan 8.210 nan 0.000 0.438 293 T N 2.270 116.921 114.554 0.161 0.000 2.906 293 T HA 0.929 5.279 4.350 0.000 0.000 0.295 293 T C -0.780 173.986 174.700 0.110 0.000 1.075 293 T CA -0.881 61.294 62.100 0.125 0.000 1.005 293 T CB 2.302 71.273 68.868 0.172 0.000 1.136 293 T HN 0.762 nan 8.240 nan 0.000 0.498 294 A N 2.084 124.950 122.820 0.076 0.000 2.549 294 A HA 0.848 5.169 4.320 0.000 0.000 0.297 294 A C -1.132 176.482 177.584 0.049 0.000 1.061 294 A CA -1.008 51.070 52.037 0.068 0.000 0.690 294 A CB 1.459 20.498 19.000 0.066 0.000 1.287 294 A HN 1.220 nan 8.150 nan 0.000 0.402 295 N N 0.623 119.349 118.700 0.043 0.000 2.396 295 N HA 0.516 5.256 4.740 0.000 0.000 0.275 295 N C -1.550 173.979 175.510 0.032 0.000 1.218 295 N CA -0.577 52.492 53.050 0.033 0.000 0.812 295 N CB 1.647 40.151 38.487 0.029 0.000 1.592 295 N HN 0.721 nan 8.380 nan 0.000 0.480 296 N N -0.767 117.950 118.700 0.028 0.000 2.701 296 N HA 0.571 5.311 4.740 0.000 0.000 0.290 296 N C -2.527 173.001 175.510 0.030 0.000 1.338 296 N CA -1.734 51.336 53.050 0.034 0.000 0.799 296 N CB 0.397 38.902 38.487 0.031 0.000 1.491 296 N HN 0.145 nan 8.380 nan 0.000 0.540 297 P HA -0.035 nan 4.420 nan 0.000 0.222 297 P C 0.064 177.377 177.300 0.022 0.000 1.147 297 P CA 1.250 64.369 63.100 0.032 0.000 0.790 297 P CB 0.200 31.926 31.700 0.043 0.000 0.780 298 E N -0.752 119.460 120.200 0.020 0.000 2.511 298 E HA -0.015 4.335 4.350 0.000 0.000 0.196 298 E C 0.195 176.802 176.600 0.011 0.000 1.066 298 E CA 0.148 56.556 56.400 0.014 0.000 0.871 298 E CB -0.649 29.058 29.700 0.011 0.000 0.863 298 E HN 0.222 nan 8.360 nan 0.000 0.520 299 Q N -0.341 119.466 119.800 0.013 0.000 2.493 299 Q HA -0.209 4.131 4.340 0.000 0.000 0.278 299 Q C -0.794 175.211 176.000 0.009 0.000 1.216 299 Q CA 0.601 56.410 55.803 0.010 0.000 0.875 299 Q CB -1.642 27.100 28.738 0.007 0.000 1.262 299 Q HN 0.425 nan 8.270 nan 0.000 0.468 300 E N 0.624 120.831 120.200 0.011 0.000 2.232 300 E HA 0.549 4.899 4.350 0.000 0.000 0.264 300 E C 0.002 176.610 176.600 0.012 0.000 0.973 300 E CA -0.555 55.850 56.400 0.009 0.000 0.849 300 E CB 1.186 30.892 29.700 0.009 0.000 1.198 300 E HN 0.314 nan 8.360 nan 0.000 0.407 301 E N -0.556 119.650 120.200 0.010 0.000 2.412 301 E HA 0.751 5.101 4.350 0.000 0.000 0.279 301 E C -1.727 174.878 176.600 0.010 0.000 0.984 301 E CA -1.225 55.184 56.400 0.014 0.000 0.788 301 E CB 1.582 31.289 29.700 0.012 0.000 1.277 301 E HN 0.431 nan 8.360 nan 0.000 0.455 302 A N 1.084 123.912 122.820 0.014 0.000 2.454 302 A HA 0.737 5.057 4.320 0.000 0.000 0.302 302 A C -1.254 176.333 177.584 0.004 0.000 1.079 302 A CA -0.606 51.435 52.037 0.006 0.000 0.731 302 A CB 1.994 21.000 19.000 0.010 0.000 1.299 302 A HN 0.704 nan 8.150 nan 0.000 0.413 303 E N 0.884 121.076 120.200 -0.012 0.000 2.331 303 E HA 0.500 4.850 4.350 0.000 0.000 0.275 303 E C -1.567 175.008 176.600 -0.040 0.000 0.895 303 E CA -0.472 55.915 56.400 -0.022 0.000 0.753 303 E CB 1.594 31.272 29.700 -0.035 0.000 1.216 303 E HN 0.559 nan 8.360 nan 0.000 0.434 304 E N 3.529 123.694 120.200 -0.058 0.000 2.293 304 E HA 0.480 4.830 4.350 0.000 0.000 0.270 304 E C -0.700 175.849 176.600 -0.084 0.000 0.879 304 E CA -0.707 55.644 56.400 -0.082 0.000 0.756 304 E CB 2.184 31.805 29.700 -0.130 0.000 1.208 304 E HN 0.497 nan 8.360 nan 0.000 0.428 305 I N 2.792 123.318 120.570 -0.073 0.000 2.509 305 I HA 0.450 4.620 4.170 0.000 0.000 0.293 305 I C -0.504 175.575 176.117 -0.063 0.000 1.020 305 I CA -0.755 60.507 61.300 -0.063 0.000 1.088 305 I CB 1.546 39.516 38.000 -0.050 0.000 1.267 305 I HN 0.192 nan 8.210 nan 0.000 0.430 306 L N 4.283 125.471 121.223 -0.059 0.000 2.388 306 L HA 0.480 4.820 4.340 0.000 0.000 0.264 306 L C -1.059 175.798 176.870 -0.022 0.000 0.998 306 L CA -0.971 53.840 54.840 -0.050 0.000 0.817 306 L CB 2.356 44.370 42.059 -0.075 0.000 1.338 306 L HN 0.449 nan 8.230 nan 0.000 0.414 307 D N 1.966 122.361 120.400 -0.009 0.000 2.304 307 D HA 0.473 5.113 4.640 0.000 0.000 0.250 307 D C -0.218 176.095 176.300 0.021 0.000 1.107 307 D CA 0.112 54.119 54.000 0.011 0.000 0.885 307 D CB 2.182 42.989 40.800 0.012 0.000 1.192 307 D HN 0.280 nan 8.370 nan 0.000 0.436 308 V N -1.044 118.897 119.914 0.046 0.000 3.182 308 V HA 0.622 4.743 4.120 0.000 0.000 0.308 308 V C -0.239 175.913 176.094 0.095 0.000 1.240 308 V CA -0.877 61.461 62.300 0.063 0.000 1.063 308 V CB 1.837 33.697 31.823 0.061 0.000 1.076 308 V HN 0.384 nan 8.190 nan 0.000 0.446 309 T N 2.679 117.300 114.554 0.111 0.000 2.733 309 T HA 0.657 5.007 4.350 0.000 0.000 0.294 309 T C -1.294 173.545 174.700 0.231 0.000 0.956 309 T CA 0.216 62.395 62.100 0.131 0.000 0.987 309 T CB -0.057 68.868 68.868 0.095 0.000 0.920 309 T HN 0.927 nan 8.240 nan 0.000 0.470 310 Y N 2.144 122.474 120.300 0.049 0.000 2.390 310 Y HA 0.407 4.957 4.550 0.000 0.000 0.324 310 Y C 0.203 176.134 175.900 0.051 0.000 1.151 310 Y CA -1.186 56.949 58.100 0.059 0.000 1.053 310 Y CB 1.564 40.059 38.460 0.058 0.000 1.277 310 Y HN 0.539 nan 8.280 nan 0.000 0.432 311 S N 1.798 117.157 115.700 -0.569 0.000 2.701 311 S HA 0.434 4.905 4.470 0.000 0.000 0.242 311 S C 0.669 174.906 174.600 -0.604 0.000 1.025 311 S CA 0.007 57.944 58.200 -0.440 0.000 1.016 311 S CB 0.385 63.473 63.200 -0.186 0.000 0.977 311 S HN 0.903 nan 8.310 nan 0.000 0.546 312 G N 1.452 109.481 108.800 -1.286 0.000 2.588 312 G HA2 0.608 4.568 3.960 0.000 0.000 0.278 312 G HA3 0.608 4.568 3.960 0.000 0.000 0.278 312 G C 0.190 174.960 174.900 -0.217 0.000 1.307 312 G CA -0.357 44.344 45.100 -0.665 0.000 1.016 312 G HN 0.635 nan 8.290 nan 0.000 0.503 313 A N -0.842 122.005 122.820 0.046 0.000 2.366 313 A HA 0.424 4.744 4.320 0.000 0.000 0.249 313 A C 0.465 178.203 177.584 0.256 0.000 1.084 313 A CA -0.187 51.921 52.037 0.118 0.000 0.794 313 A CB 0.143 19.196 19.000 0.088 0.000 1.034 313 A HN 0.652 nan 8.150 nan 0.000 0.491 314 E N -0.065 120.249 120.200 0.189 0.000 2.373 314 E HA 0.420 4.770 4.350 0.000 0.000 0.267 314 E C -0.113 176.565 176.600 0.129 0.000 1.032 314 E CA 0.358 56.869 56.400 0.186 0.000 0.889 314 E CB 0.654 30.436 29.700 0.137 0.000 0.984 314 E HN 0.665 nan 8.360 nan 0.000 0.425 315 M N -0.078 119.576 119.600 0.091 0.000 2.603 315 M HA 0.468 4.949 4.480 0.000 0.000 0.275 315 M C -1.472 174.818 176.300 -0.017 0.000 1.226 315 M CA -0.886 54.436 55.300 0.038 0.000 0.870 315 M CB 2.300 34.919 32.600 0.031 0.000 1.716 315 M HN 0.316 nan 8.290 nan 0.000 0.482 316 E N 1.579 121.725 120.200 -0.089 0.000 2.266 316 E HA 0.823 5.173 4.350 0.000 0.000 0.268 316 E C -2.113 174.353 176.600 -0.222 0.000 0.879 316 E CA -0.891 55.350 56.400 -0.265 0.000 0.762 316 E CB 2.876 32.335 29.700 -0.402 0.000 1.199 316 E HN 0.792 nan 8.360 nan 0.000 0.422 317 I N 2.095 122.521 120.570 -0.240 0.000 2.827 317 I HA 0.593 4.763 4.170 0.000 0.000 0.298 317 I C -0.924 175.025 176.117 -0.279 0.000 1.235 317 I CA -0.589 60.566 61.300 -0.242 0.000 1.021 317 I CB 2.021 39.928 38.000 -0.155 0.000 1.259 317 I HN 0.632 nan 8.210 nan 0.000 0.427 318 G N 4.816 113.375 108.800 -0.401 0.000 2.400 318 G HA2 0.730 4.690 3.960 0.000 0.000 0.333 318 G HA3 0.730 4.690 3.960 0.000 0.000 0.333 318 G C -1.752 172.793 174.900 -0.591 0.000 1.143 318 G CA -0.268 44.640 45.100 -0.320 0.000 0.914 318 G HN 0.375 nan 8.290 nan 0.000 0.480 319 F N -0.239 119.683 119.950 -0.047 0.000 2.613 319 F HA 0.358 4.886 4.527 0.000 0.000 0.310 319 F C 0.027 175.761 175.800 -0.110 0.000 1.085 319 F CA -1.219 56.743 58.000 -0.063 0.000 0.945 319 F CB 2.238 41.186 39.000 -0.087 0.000 1.298 319 F HN 0.385 nan 8.300 nan 0.000 0.455 320 N N 1.697 120.435 118.700 0.064 0.000 2.438 320 N HA -0.004 4.737 4.740 0.000 0.000 0.267 320 N C 0.767 176.166 175.510 -0.184 0.000 1.222 320 N CA 0.380 53.299 53.050 -0.218 0.000 0.930 320 N CB 1.467 39.509 38.487 -0.742 0.000 1.083 320 N HN 0.648 nan 8.380 nan 0.000 0.476 321 V N 3.679 123.513 119.914 -0.134 0.000 2.626 321 V HA -0.190 3.931 4.120 0.000 0.000 0.252 321 V C 2.216 178.202 176.094 -0.180 0.000 1.067 321 V CA 2.522 64.735 62.300 -0.145 0.000 1.081 321 V CB -0.591 31.227 31.823 -0.009 0.000 0.686 321 V HN 0.865 nan 8.190 nan 0.000 0.468 322 S N -1.050 114.540 115.700 -0.183 0.000 2.406 322 S HA -0.170 4.300 4.470 0.000 0.000 0.228 322 S C 1.981 176.587 174.600 0.010 0.000 1.020 322 S CA 1.238 59.374 58.200 -0.107 0.000 0.965 322 S CB -0.609 62.532 63.200 -0.099 0.000 0.798 322 S HN 0.622 nan 8.310 nan 0.000 0.488 323 Y N 1.881 122.143 120.300 -0.063 0.000 2.242 323 Y HA 0.076 4.626 4.550 0.001 0.000 0.291 323 Y C 2.755 178.547 175.900 -0.180 0.000 1.137 323 Y CA -0.123 57.952 58.100 -0.043 0.000 1.181 323 Y CB -1.214 37.266 38.460 0.032 0.000 0.989 323 Y HN 0.170 nan 8.280 nan 0.000 0.527 324 V N -0.223 119.595 119.914 -0.160 0.000 2.453 324 V HA -0.241 3.879 4.120 0.000 0.000 0.247 324 V C 2.402 178.267 176.094 -0.382 0.000 1.048 324 V CA 1.208 63.250 62.300 -0.431 0.000 1.049 324 V CB -0.777 30.520 31.823 -0.876 0.000 0.672 324 V HN 0.307 nan 8.190 nan 0.000 0.457 325 L N -0.221 120.820 121.223 -0.303 0.000 2.131 325 L HA -0.180 4.160 4.340 0.000 0.000 0.210 325 L C 2.333 179.031 176.870 -0.286 0.000 1.092 325 L CA 1.400 56.105 54.840 -0.225 0.000 0.759 325 L CB -0.628 41.349 42.059 -0.137 0.000 0.903 325 L HN 0.338 nan 8.230 nan 0.000 0.435 326 D N -0.495 119.708 120.400 -0.329 0.000 2.117 326 D HA -0.150 4.491 4.640 0.000 0.000 0.197 326 D C 2.309 178.077 176.300 -0.887 0.000 0.987 326 D CA 1.107 54.731 54.000 -0.627 0.000 0.829 326 D CB -0.102 40.323 40.800 -0.625 0.000 0.961 326 D HN 0.095 nan 8.370 nan 0.000 0.460 327 V N 0.945 120.506 119.914 -0.588 0.000 2.358 327 V HA -0.171 3.949 4.120 0.000 0.000 0.246 327 V C 2.588 178.362 176.094 -0.533 0.000 1.047 327 V CA 0.988 62.901 62.300 -0.644 0.000 1.035 327 V CB -0.361 31.208 31.823 -0.423 0.000 0.658 327 V HN 0.197 nan 8.190 nan 0.000 0.452 328 L N -0.041 120.969 121.223 -0.356 0.000 2.141 328 L HA -0.174 4.166 4.340 0.000 0.000 0.209 328 L C 2.161 178.903 176.870 -0.214 0.000 1.094 328 L CA 1.828 56.531 54.840 -0.230 0.000 0.763 328 L CB -0.769 41.211 42.059 -0.132 0.000 0.908 328 L HN 0.438 nan 8.230 nan 0.000 0.437 329 N N -0.124 118.417 118.700 -0.266 0.000 2.270 329 N HA -0.102 4.638 4.740 0.000 0.000 0.181 329 N C 1.903 177.282 175.510 -0.217 0.000 1.016 329 N CA 0.859 53.779 53.050 -0.216 0.000 0.870 329 N CB -0.066 38.279 38.487 -0.237 0.000 0.979 329 N HN 0.293 nan 8.380 nan 0.000 0.431 330 A N 0.571 123.194 122.820 -0.329 0.000 1.968 330 A HA 0.013 4.333 4.320 0.000 0.000 0.217 330 A C 2.028 179.568 177.584 -0.072 0.000 1.169 330 A CA 0.780 52.710 52.037 -0.179 0.000 0.638 330 A CB -0.287 18.607 19.000 -0.176 0.000 0.812 330 A HN 0.171 nan 8.150 nan 0.000 0.446 331 L N -0.731 120.413 121.223 -0.132 0.000 2.127 331 L HA -0.049 4.291 4.340 0.000 0.000 0.203 331 L C 1.011 177.874 176.870 -0.011 0.000 1.080 331 L CA 0.977 55.803 54.840 -0.023 0.000 0.768 331 L CB -0.247 41.783 42.059 -0.048 0.000 0.924 331 L HN 0.631 nan 8.230 nan 0.000 0.444 332 K N 0.194 120.569 120.400 -0.041 0.000 3.311 332 K HA -0.236 4.084 4.320 0.000 0.000 0.270 332 K C -0.272 176.325 176.600 -0.005 0.000 0.927 332 K CA 0.668 56.940 56.287 -0.025 0.000 0.706 332 K CB -2.893 29.593 32.500 -0.023 0.000 1.418 332 K HN 0.483 nan 8.250 nan 0.000 0.459 333 C N -2.576 116.724 119.300 0.000 0.000 3.205 333 C HA 0.546 5.006 4.460 0.000 0.000 0.372 333 C C 1.758 176.754 174.990 0.009 0.000 1.892 333 C CA -0.240 58.784 59.018 0.010 0.000 1.516 333 C CB 1.594 29.346 27.740 0.021 0.000 2.371 333 C HN 0.529 nan 8.230 nan 0.000 0.468 334 E N 1.113 121.321 120.200 0.013 0.000 2.042 334 E HA 0.149 4.499 4.350 0.000 0.000 0.189 334 E C 0.221 176.830 176.600 0.016 0.000 0.974 334 E CA 1.213 57.620 56.400 0.013 0.000 0.806 334 E CB 0.080 29.788 29.700 0.012 0.000 0.769 334 E HN 0.678 nan 8.360 nan 0.000 0.451 335 N N -0.564 118.149 118.700 0.022 0.000 2.262 335 N HA 0.343 5.083 4.740 0.000 0.000 0.295 335 N C -1.502 174.029 175.510 0.035 0.000 1.161 335 N CA -0.560 52.507 53.050 0.028 0.000 0.767 335 N CB 2.359 40.864 38.487 0.031 0.000 1.499 335 N HN -0.107 nan 8.380 nan 0.000 0.476 336 V N 0.810 120.748 119.914 0.041 0.000 2.864 336 V HA 0.513 4.633 4.120 0.000 0.000 0.314 336 V C -0.046 176.087 176.094 0.064 0.000 1.073 336 V CA -0.801 61.528 62.300 0.048 0.000 0.956 336 V CB 2.604 34.449 31.823 0.036 0.000 1.023 336 V HN 0.578 nan 8.190 nan 0.000 0.435 337 R N 3.539 124.085 120.500 0.076 0.000 2.494 337 R HA 0.725 5.065 4.340 0.000 0.000 0.305 337 R C -1.243 175.119 176.300 0.104 0.000 0.959 337 R CA -0.563 55.597 56.100 0.100 0.000 0.864 337 R CB 1.405 31.769 30.300 0.106 0.000 1.159 337 R HN 0.734 nan 8.270 nan 0.000 0.446 338 M N 5.184 124.850 119.600 0.109 0.000 2.311 338 M HA 0.383 4.863 4.480 0.000 0.000 0.325 338 M C -0.979 175.387 176.300 0.111 0.000 1.061 338 M CA -0.704 54.647 55.300 0.086 0.000 0.957 338 M CB 2.385 35.014 32.600 0.049 0.000 1.646 338 M HN 0.457 nan 8.290 nan 0.000 0.434 339 M N 4.282 123.939 119.600 0.094 0.000 2.167 339 M HA 0.567 5.048 4.480 0.000 0.000 0.333 339 M C -1.246 175.063 176.300 0.015 0.000 1.030 339 M CA -0.385 54.938 55.300 0.040 0.000 0.963 339 M CB 1.491 34.150 32.600 0.098 0.000 1.589 339 M HN 0.501 nan 8.290 nan 0.000 0.431 340 L N 1.169 122.377 121.223 -0.026 0.000 2.279 340 L HA 0.756 5.096 4.340 0.000 0.000 0.262 340 L C 0.549 177.417 176.870 -0.003 0.000 1.019 340 L CA -0.345 54.510 54.840 0.024 0.000 0.823 340 L CB 2.003 44.090 42.059 0.047 0.000 1.358 340 L HN 0.660 nan 8.230 nan 0.000 0.432 341 T N -1.470 113.098 114.554 0.023 0.000 3.330 341 T HA 0.270 4.620 4.350 0.000 0.000 0.240 341 T C -0.899 173.812 174.700 0.019 0.000 0.988 341 T CA 0.435 62.544 62.100 0.016 0.000 1.253 341 T CB 0.504 69.383 68.868 0.019 0.000 1.163 341 T HN 0.830 nan 8.240 nan 0.000 0.382 342 D N -0.334 120.073 120.400 0.013 0.000 2.759 342 D HA 0.315 4.956 4.640 0.000 0.000 0.321 342 D C 0.794 177.078 176.300 -0.026 0.000 1.267 342 D CA -0.050 53.949 54.000 -0.002 0.000 0.933 342 D CB 0.280 41.078 40.800 -0.004 0.000 1.431 342 D HN 0.124 nan 8.370 nan 0.000 0.504 343 S N -1.133 114.537 115.700 -0.051 0.000 2.474 343 S HA -0.086 4.384 4.470 0.000 0.000 0.235 343 S C 1.553 176.080 174.600 -0.121 0.000 0.997 343 S CA 1.000 59.139 58.200 -0.101 0.000 0.949 343 S CB -0.788 62.349 63.200 -0.105 0.000 0.766 343 S HN 0.972 nan 8.310 nan 0.000 0.517 344 V N -2.234 117.634 119.914 -0.076 0.000 3.319 344 V HA 0.502 4.622 4.120 0.000 0.000 0.317 344 V C 0.124 176.191 176.094 -0.044 0.000 1.411 344 V CA -0.500 61.757 62.300 -0.073 0.000 1.112 344 V CB -0.288 31.503 31.823 -0.053 0.000 1.031 344 V HN 0.294 nan 8.190 nan 0.000 0.448 345 S N 1.463 117.148 115.700 -0.026 0.000 2.607 345 S HA 0.669 5.139 4.470 0.000 0.000 0.303 345 S C 0.272 174.902 174.600 0.050 0.000 1.086 345 S CA 0.028 58.235 58.200 0.012 0.000 0.995 345 S CB 1.829 65.040 63.200 0.019 0.000 1.084 345 S HN 0.822 nan 8.310 nan 0.000 0.507 346 S N 0.807 116.557 115.700 0.083 0.000 2.576 346 S HA 0.436 4.906 4.470 0.000 0.000 0.272 346 S C 0.181 174.882 174.600 0.169 0.000 1.352 346 S CA -0.640 57.649 58.200 0.149 0.000 1.021 346 S CB 0.095 63.370 63.200 0.125 0.000 0.887 346 S HN 0.872 nan 8.310 nan 0.000 0.542 347 V N -0.251 119.802 119.914 0.232 0.000 2.815 347 V HA 0.687 4.808 4.120 0.000 0.000 0.314 347 V C -0.580 175.581 176.094 0.113 0.000 1.064 347 V CA -0.974 61.427 62.300 0.168 0.000 0.952 347 V CB 1.349 33.290 31.823 0.196 0.000 1.020 347 V HN 1.073 nan 8.190 nan 0.000 0.439 348 Q N 1.922 121.777 119.800 0.092 0.000 2.337 348 Q HA 0.751 5.091 4.340 0.000 0.000 0.266 348 Q C -1.603 174.453 176.000 0.093 0.000 1.023 348 Q CA -0.787 55.073 55.803 0.094 0.000 0.829 348 Q CB 2.167 30.959 28.738 0.090 0.000 1.306 348 Q HN 0.886 nan 8.270 nan 0.000 0.449 349 I N 2.758 123.402 120.570 0.123 0.000 2.498 349 I HA 0.458 4.628 4.170 0.000 0.000 0.290 349 I C -0.701 175.533 176.117 0.195 0.000 1.032 349 I CA -0.566 60.808 61.300 0.123 0.000 1.073 349 I CB 2.204 40.245 38.000 0.069 0.000 1.251 349 I HN 0.689 nan 8.210 nan 0.000 0.426 350 E N 2.708 122.995 120.200 0.145 0.000 2.446 350 E HA 0.219 4.569 4.350 0.000 0.000 0.276 350 E C -1.543 175.124 176.600 0.113 0.000 0.969 350 E CA -0.989 55.504 56.400 0.155 0.000 0.800 350 E CB 1.932 31.691 29.700 0.097 0.000 1.341 350 E HN 0.438 nan 8.360 nan 0.000 0.460 351 D N 0.587 121.052 120.400 0.107 0.000 2.450 351 D HA 0.028 4.668 4.640 0.000 0.000 0.247 351 D C 0.479 176.813 176.300 0.056 0.000 1.162 351 D CA 0.308 54.350 54.000 0.070 0.000 0.879 351 D CB 1.430 42.269 40.800 0.066 0.000 1.163 351 D HN 0.563 nan 8.370 nan 0.000 0.472 352 A N 3.548 126.397 122.820 0.048 0.000 2.121 352 A HA 0.100 4.421 4.320 0.000 0.000 0.218 352 A C 1.554 179.156 177.584 0.031 0.000 1.154 352 A CA 1.490 53.553 52.037 0.042 0.000 0.679 352 A CB 0.011 19.035 19.000 0.040 0.000 0.795 352 A HN 0.587 nan 8.150 nan 0.000 0.458 353 A N -1.540 121.297 122.820 0.029 0.000 2.589 353 A HA 0.584 4.904 4.320 0.000 0.000 0.283 353 A C 0.484 178.080 177.584 0.019 0.000 1.187 353 A CA 0.618 52.667 52.037 0.021 0.000 0.957 353 A CB 0.003 19.014 19.000 0.018 0.000 1.175 353 A HN 0.495 nan 8.150 nan 0.000 0.532 354 S N -0.976 114.738 115.700 0.024 0.000 2.536 354 S HA 0.419 4.889 4.470 0.000 0.000 0.271 354 S C -0.409 174.201 174.600 0.016 0.000 1.134 354 S CA -0.352 57.859 58.200 0.019 0.000 0.897 354 S CB 1.445 64.659 63.200 0.024 0.000 1.094 354 S HN 0.313 nan 8.310 nan 0.000 0.473 355 Q N 1.742 121.544 119.800 0.003 0.000 2.198 355 Q HA 0.210 4.550 4.340 0.000 0.000 0.209 355 Q C 1.173 177.156 176.000 -0.030 0.000 0.848 355 Q CA -0.107 55.691 55.803 -0.008 0.000 0.974 355 Q CB 0.430 29.162 28.738 -0.010 0.000 1.115 355 Q HN 0.673 nan 8.270 nan 0.000 0.494 356 S N 0.947 116.633 115.700 -0.023 0.000 2.368 356 S HA -0.059 4.411 4.470 0.000 0.000 0.225 356 S C 0.826 175.378 174.600 -0.081 0.000 1.030 356 S CA 1.050 59.226 58.200 -0.040 0.000 0.999 356 S CB 0.124 63.315 63.200 -0.015 0.000 0.844 356 S HN 0.449 nan 8.310 nan 0.000 0.459 357 A N -0.082 122.696 122.820 -0.070 0.000 2.413 357 A HA 0.873 5.193 4.320 0.000 0.000 0.307 357 A C -0.755 176.692 177.584 -0.229 0.000 1.087 357 A CA -0.315 51.615 52.037 -0.179 0.000 0.750 357 A CB 1.618 20.581 19.000 -0.062 0.000 1.296 357 A HN 0.470 nan 8.150 nan 0.000 0.423 358 A N 0.260 122.776 122.820 -0.507 0.000 2.539 358 A HA 0.835 5.155 4.320 0.000 0.000 0.296 358 A C -1.816 175.342 177.584 -0.710 0.000 1.073 358 A CA -0.421 51.396 52.037 -0.367 0.000 0.700 358 A CB 1.040 19.928 19.000 -0.186 0.000 1.296 358 A HN 0.975 nan 8.150 nan 0.000 0.405 359 Y N -0.511 119.788 120.300 -0.001 0.000 2.492 359 Y HA 0.588 5.138 4.550 0.001 0.000 0.346 359 Y C -0.367 175.542 175.900 0.015 0.000 0.997 359 Y CA -0.822 57.285 58.100 0.011 0.000 1.025 359 Y CB 2.622 41.117 38.460 0.059 0.000 1.263 359 Y HN 0.458 nan 8.280 nan 0.000 0.454 360 V N 3.768 123.768 119.914 0.143 0.000 2.531 360 V HA 0.625 4.745 4.120 0.000 0.000 0.301 360 V C -0.990 175.182 176.094 0.130 0.000 1.034 360 V CA -0.813 61.556 62.300 0.116 0.000 0.865 360 V CB 1.819 33.693 31.823 0.086 0.000 0.995 360 V HN 0.543 nan 8.190 nan 0.000 0.424 361 V N 5.411 125.416 119.914 0.152 0.000 2.588 361 V HA 0.520 4.640 4.120 0.000 0.000 0.304 361 V C -0.103 176.198 176.094 0.345 0.000 1.042 361 V CA -0.634 61.789 62.300 0.206 0.000 0.877 361 V CB 1.874 33.766 31.823 0.115 0.000 0.996 361 V HN 0.864 nan 8.190 nan 0.000 0.425 362 M N 8.474 128.254 119.600 0.300 0.000 2.249 362 M HA 0.521 5.001 4.480 0.000 0.000 0.351 362 M C -2.336 174.112 176.300 0.246 0.000 1.180 362 M CA -1.818 53.627 55.300 0.241 0.000 1.127 362 M CB 1.208 33.912 32.600 0.173 0.000 1.546 362 M HN 0.418 nan 8.290 nan 0.000 0.461 363 P HA 0.251 nan 4.420 nan 0.000 0.279 363 P C -1.095 176.041 177.300 -0.273 0.000 1.282 363 P CA -0.342 62.437 63.100 -0.536 0.000 0.788 363 P CB 0.741 31.989 31.700 -0.753 0.000 1.139 364 M N -0.117 119.277 119.600 -0.344 0.000 2.478 364 M HA 0.352 4.832 4.480 0.000 0.000 0.327 364 M C 0.924 177.100 176.300 -0.207 0.000 1.187 364 M CA -0.713 54.467 55.300 -0.200 0.000 1.022 364 M CB 1.276 33.780 32.600 -0.161 0.000 1.629 364 M HN 0.152 nan 8.290 nan 0.000 0.461 365 R N 1.377 121.787 120.500 -0.150 0.000 2.543 365 R HA 0.374 4.714 4.340 0.000 0.000 0.277 365 R C -0.449 175.765 176.300 -0.143 0.000 1.074 365 R CA -0.207 55.811 56.100 -0.138 0.000 1.076 365 R CB 0.312 30.548 30.300 -0.106 0.000 0.993 365 R HN 0.594 nan 8.270 nan 0.000 0.459 366 L N 0.000 121.141 121.223 -0.136 0.000 2.949 366 L HA 0.000 4.340 4.340 0.000 0.000 0.249 366 L CA 0.000 54.765 54.840 -0.125 0.000 0.813 366 L CB 0.000 41.983 42.059 -0.127 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502