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 2qkn_1_A DATA FIRST_RESID 33 DATA SEQUENCE PWPASLAALA LDGKLRTDSN ATAAASTDFG NITSALPAAV LYPSSTADLV DATA SEQUENCE ALLSAANSTP GWPYTIAFRG RGHSLMGQAF APGGVVVNMA SLGDAAAPPR DATA SEQUENCE INVSADGRYV DAGGEQVWID VLRASLARGV APRSWTDYLY LTVGGTLSNA DATA SEQUENCE GISGQAFRHG PQISNVLEMD VITGHGEMVT CSKQLNADLF DAVLGGLGQF DATA SEQUENCE GVITRARIAV EPAPARARWV RLVYTDFAAF SADQERLTAP RXXXXXXSFG DATA SEQUENCE PMSYVEGSVF VNQSLATDLA NTGFFTDADV ARIVALAGER NATTVYSIEA DATA SEQUENCE TLNYDNATAA AAAVDQELAS VLGTLSYVEG FAFQRDVAYA AFLDRVHGEE DATA SEQUENCE VALNKLGLWR VPHPWLNMFV PRSRIADFDR GVFKGILQGT DIVGPLIVYP DATA SEQUENCE LNKSMWDDGM SAATPSEDVF YAVSLLFSSV APNDLARLQE QNRRILRFCD DATA SEQUENCE LAGIQYKTYL ARHTDRSDWV RHFGAAKWNR FVEMKNKYDP KRLLSPGQDI DATA SEQUENCE FN 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 33 P HA 0.000 nan 4.420 nan 0.000 0.216 33 P C 0.000 177.552 177.300 0.419 0.000 1.155 33 P CA 0.000 63.273 63.100 0.289 0.000 0.800 33 P CB 0.000 31.806 31.700 0.176 0.000 0.726 34 W N 1.865 123.218 121.300 0.089 0.000 2.475 34 W HA 0.510 5.166 4.660 -0.006 0.000 0.317 34 W C -2.156 174.420 176.519 0.095 0.000 1.046 34 W CA -1.486 55.926 57.345 0.112 0.000 1.215 34 W CB 0.703 30.218 29.460 0.093 0.000 1.335 34 W HN 0.161 nan 8.180 nan 0.000 0.471 35 P HA 0.127 nan 4.420 nan 0.000 0.269 35 P C 0.648 178.071 177.300 0.205 0.000 1.209 35 P CA 0.194 63.401 63.100 0.178 0.000 0.776 35 P CB 0.937 32.702 31.700 0.107 0.000 0.876 36 A N 2.425 125.333 122.820 0.147 0.000 1.892 36 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 36 A C 2.194 179.858 177.584 0.133 0.000 1.188 36 A CA 2.505 54.619 52.037 0.129 0.000 0.631 36 A CB -1.732 17.319 19.000 0.086 0.000 0.822 36 A HN 0.642 nan 8.150 nan 0.000 0.447 37 S N -0.548 115.217 115.700 0.109 0.000 2.399 37 S HA -0.146 4.323 4.470 -0.002 0.000 0.231 37 S C 1.819 176.498 174.600 0.132 0.000 1.022 37 S CA 1.487 59.745 58.200 0.097 0.000 0.983 37 S CB -0.573 62.666 63.200 0.064 0.000 0.803 37 S HN 0.451 nan 8.310 nan 0.000 0.480 38 L N 2.005 123.331 121.223 0.171 0.000 2.044 38 L HA 0.278 4.617 4.340 -0.002 0.000 0.205 38 L C 2.704 179.819 176.870 0.407 0.000 1.075 38 L CA 1.657 56.630 54.840 0.222 0.000 0.747 38 L CB -1.192 40.961 42.059 0.156 0.000 0.903 38 L HN 0.326 nan 8.230 nan 0.000 0.435 39 A N -0.483 122.627 122.820 0.484 0.000 1.972 39 A HA -0.088 4.230 4.320 -0.002 0.000 0.219 39 A C 2.424 180.126 177.584 0.196 0.000 1.169 39 A CA 1.574 53.842 52.037 0.386 0.000 0.635 39 A CB -1.078 18.046 19.000 0.206 0.000 0.810 39 A HN 0.562 nan 8.150 nan 0.000 0.446 40 A N -0.046 122.872 122.820 0.164 0.000 1.933 40 A HA -0.057 4.262 4.320 -0.002 0.000 0.218 40 A C 2.119 179.772 177.584 0.114 0.000 1.175 40 A CA 1.468 53.570 52.037 0.108 0.000 0.628 40 A CB -0.576 18.479 19.000 0.090 0.000 0.814 40 A HN 0.497 nan 8.150 nan 0.000 0.444 41 L N -0.941 120.373 121.223 0.152 0.000 2.046 41 L HA -0.203 4.136 4.340 -0.002 0.000 0.208 41 L C 3.089 180.050 176.870 0.152 0.000 1.077 41 L CA 1.141 56.069 54.840 0.147 0.000 0.747 41 L CB -0.637 41.519 42.059 0.162 0.000 0.896 41 L HN 0.441 nan 8.230 nan 0.000 0.432 42 A N -0.014 122.920 122.820 0.189 0.000 1.873 42 A HA -0.193 4.126 4.320 -0.002 0.000 0.215 42 A C 2.202 179.826 177.584 0.067 0.000 1.186 42 A CA 1.334 53.456 52.037 0.142 0.000 0.616 42 A CB -0.712 18.366 19.000 0.128 0.000 0.823 42 A HN 0.286 nan 8.150 nan 0.000 0.442 43 L N 0.283 121.536 121.223 0.050 0.000 2.081 43 L HA -0.183 4.156 4.340 -0.002 0.000 0.212 43 L C 1.165 178.054 176.870 0.031 0.000 1.080 43 L CA 2.183 57.037 54.840 0.023 0.000 0.754 43 L CB -0.509 41.563 42.059 0.021 0.000 0.893 43 L HN 0.372 nan 8.230 nan 0.000 0.433 44 D N -0.590 119.841 120.400 0.051 0.000 2.349 44 D HA 0.093 4.732 4.640 -0.002 0.000 0.224 44 D C 1.503 177.831 176.300 0.046 0.000 1.029 44 D CA 0.927 54.955 54.000 0.046 0.000 0.879 44 D CB 0.105 40.938 40.800 0.056 0.000 0.906 44 D HN 0.522 nan 8.370 nan 0.000 0.528 45 G N 1.809 110.640 108.800 0.052 0.000 2.153 45 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.252 45 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.252 45 G C 1.113 176.061 174.900 0.080 0.000 0.994 45 G CA 0.495 45.623 45.100 0.048 0.000 0.698 45 G HN 0.336 nan 8.290 nan 0.000 0.521 46 K N -1.186 119.286 120.400 0.120 0.000 2.262 46 K HA 0.250 4.569 4.320 -0.002 0.000 0.200 46 K C 0.754 177.503 176.600 0.247 0.000 1.049 46 K CA 0.278 56.677 56.287 0.187 0.000 0.979 46 K CB 0.254 32.849 32.500 0.158 0.000 0.773 46 K HN 0.251 nan 8.250 nan 0.000 0.474 47 L N 2.564 123.901 121.223 0.190 0.000 2.270 47 L HA 0.250 4.589 4.340 -0.002 0.000 0.286 47 L C -0.323 176.647 176.870 0.167 0.000 1.059 47 L CA 0.243 55.191 54.840 0.180 0.000 0.839 47 L CB 0.633 42.808 42.059 0.194 0.000 1.221 47 L HN 0.054 nan 8.230 nan 0.000 0.431 48 R N 1.341 121.963 120.500 0.203 0.000 2.598 48 R HA 0.520 4.859 4.340 -0.002 0.000 0.279 48 R C 0.786 177.154 176.300 0.114 0.000 0.984 48 R CA -0.145 56.056 56.100 0.168 0.000 0.999 48 R CB 1.488 31.935 30.300 0.245 0.000 1.114 48 R HN 0.590 nan 8.270 nan 0.000 0.493 49 T N -3.952 110.649 114.554 0.078 0.000 3.087 49 T HA 0.011 4.360 4.350 -0.002 0.000 0.283 49 T C 0.210 174.935 174.700 0.040 0.000 0.956 49 T CA -0.605 61.523 62.100 0.048 0.000 0.894 49 T CB -0.026 68.862 68.868 0.034 0.000 1.160 49 T HN 0.657 nan 8.240 nan 0.000 0.532 50 D N 2.651 123.080 120.400 0.048 0.000 2.449 50 D HA 0.006 4.645 4.640 -0.002 0.000 0.236 50 D C 1.498 177.820 176.300 0.035 0.000 1.149 50 D CA 0.536 54.557 54.000 0.035 0.000 0.878 50 D CB 1.441 42.260 40.800 0.033 0.000 1.198 50 D HN 0.297 nan 8.370 nan 0.000 0.446 51 S N 2.619 118.332 115.700 0.023 0.000 2.365 51 S HA -0.333 4.136 4.470 -0.002 0.000 0.225 51 S C 1.455 176.071 174.600 0.026 0.000 1.039 51 S CA 1.509 59.719 58.200 0.017 0.000 1.033 51 S CB -0.669 62.536 63.200 0.009 0.000 0.887 51 S HN 0.571 nan 8.310 nan 0.000 0.447 52 N N 2.734 121.454 118.700 0.032 0.000 2.060 52 N HA -0.045 4.694 4.740 -0.002 0.000 0.195 52 N C 1.996 177.548 175.510 0.070 0.000 1.028 52 N CA 1.835 54.911 53.050 0.042 0.000 0.861 52 N CB -0.838 37.671 38.487 0.037 0.000 1.029 52 N HN 0.643 nan 8.380 nan 0.000 0.428 53 A N 0.027 122.904 122.820 0.095 0.000 1.841 53 A HA -0.165 4.154 4.320 -0.002 0.000 0.214 53 A C 2.362 180.006 177.584 0.100 0.000 1.195 53 A CA 2.430 54.564 52.037 0.162 0.000 0.611 53 A CB -1.524 17.614 19.000 0.230 0.000 0.835 53 A HN 0.511 nan 8.150 nan 0.000 0.443 54 T N -1.653 112.935 114.554 0.057 0.000 2.759 54 T HA -0.030 4.319 4.350 -0.002 0.000 0.269 54 T C 1.905 176.598 174.700 -0.012 0.000 1.042 54 T CA 1.911 64.018 62.100 0.013 0.000 1.140 54 T CB -0.652 68.215 68.868 -0.001 0.000 0.864 54 T HN 0.605 nan 8.240 nan 0.000 0.455 55 A N 1.994 124.814 122.820 -0.000 0.000 1.873 55 A HA 0.387 4.706 4.320 -0.002 0.000 0.215 55 A C 2.860 180.442 177.584 -0.004 0.000 1.186 55 A CA 1.785 53.811 52.037 -0.017 0.000 0.616 55 A CB -1.419 17.580 19.000 -0.003 0.000 0.823 55 A HN 0.768 nan 8.150 nan 0.000 0.442 56 A N -0.382 122.461 122.820 0.038 0.000 1.972 56 A HA 0.223 4.541 4.320 -0.002 0.000 0.219 56 A C 2.095 179.720 177.584 0.069 0.000 1.169 56 A CA 1.751 53.827 52.037 0.066 0.000 0.635 56 A CB -0.669 18.393 19.000 0.103 0.000 0.810 56 A HN 1.132 nan 8.150 nan 0.000 0.446 57 A N -0.112 122.735 122.820 0.045 0.000 2.370 57 A HA 0.363 4.682 4.320 -0.002 0.000 0.238 57 A C 1.685 179.254 177.584 -0.025 0.000 1.289 57 A CA 0.936 53.004 52.037 0.053 0.000 0.885 57 A CB -0.532 18.484 19.000 0.027 0.000 0.961 57 A HN 0.834 nan 8.150 nan 0.000 0.499 58 S N -1.184 114.435 115.700 -0.136 0.000 2.540 58 S HA 0.149 4.617 4.470 -0.002 0.000 0.222 58 S C 0.719 174.948 174.600 -0.618 0.000 1.008 58 S CA 0.557 58.470 58.200 -0.478 0.000 0.939 58 S CB -0.315 62.693 63.200 -0.320 0.000 0.865 58 S HN 0.599 nan 8.310 nan 0.000 0.499 59 T N 0.459 114.974 114.554 -0.064 0.000 2.930 59 T HA 0.739 5.088 4.350 -0.002 0.000 0.290 59 T C -1.431 173.520 174.700 0.418 0.000 1.052 59 T CA -0.560 61.653 62.100 0.188 0.000 1.017 59 T CB 2.029 70.940 68.868 0.071 0.000 1.137 59 T HN 0.311 nan 8.240 nan 0.000 0.511 60 D N -0.219 120.378 120.400 0.328 0.000 2.636 60 D HA 0.329 4.968 4.640 -0.002 0.000 0.275 60 D C 0.478 176.786 176.300 0.013 0.000 1.130 60 D CA -1.261 52.817 54.000 0.131 0.000 1.031 60 D CB 0.193 40.964 40.800 -0.048 0.000 1.451 60 D HN 0.355 nan 8.370 nan 0.000 0.505 61 F N 0.783 120.586 119.950 -0.244 0.000 2.192 61 F HA 0.033 4.558 4.527 -0.003 0.000 0.301 61 F C 2.111 177.742 175.800 -0.282 0.000 1.079 61 F CA 2.401 60.169 58.000 -0.386 0.000 1.303 61 F CB -0.465 38.130 39.000 -0.676 0.000 1.024 61 F HN 0.484 nan 8.300 nan 0.000 0.494 62 G N -0.204 108.455 108.800 -0.236 0.000 2.469 62 G HA2 -0.389 3.569 3.960 -0.002 0.000 0.219 62 G HA3 -0.389 3.569 3.960 -0.002 0.000 0.219 62 G C 1.010 175.732 174.900 -0.295 0.000 1.150 62 G CA 1.005 45.932 45.100 -0.288 0.000 0.763 62 G HN 0.653 nan 8.290 nan 0.000 0.561 63 N N -1.167 117.418 118.700 -0.192 0.000 2.714 63 N HA -0.180 4.559 4.740 -0.002 0.000 0.250 63 N C 0.973 176.405 175.510 -0.131 0.000 1.117 63 N CA 0.616 53.568 53.050 -0.163 0.000 0.719 63 N CB -0.706 37.615 38.487 -0.277 0.000 1.081 63 N HN 0.468 nan 8.380 nan 0.000 0.557 64 I N -1.474 119.045 120.570 -0.086 0.000 3.718 64 I HA 0.057 4.226 4.170 -0.002 0.000 0.297 64 I C 1.072 177.186 176.117 -0.006 0.000 1.220 64 I CA 0.566 61.828 61.300 -0.063 0.000 1.381 64 I CB 0.996 38.952 38.000 -0.073 0.000 1.238 64 I HN 0.182 nan 8.210 nan 0.000 0.448 65 T N 0.025 114.613 114.554 0.056 0.000 2.916 65 T HA 0.639 4.988 4.350 -0.002 0.000 0.292 65 T C -0.877 173.977 174.700 0.255 0.000 1.064 65 T CA -0.407 61.770 62.100 0.129 0.000 1.011 65 T CB 1.521 70.481 68.868 0.153 0.000 1.152 65 T HN 0.225 nan 8.240 nan 0.000 0.510 66 S N 0.808 116.594 115.700 0.143 0.000 2.547 66 S HA 0.849 5.318 4.470 -0.002 0.000 0.270 66 S C -1.353 173.061 174.600 -0.309 0.000 1.150 66 S CA -0.646 57.454 58.200 -0.167 0.000 0.850 66 S CB 1.393 64.491 63.200 -0.171 0.000 1.118 66 S HN 1.423 nan 8.310 nan 0.000 0.461 67 A N 1.979 124.364 122.820 -0.725 0.000 2.485 67 A HA 0.615 4.934 4.320 -0.002 0.000 0.285 67 A C -1.021 176.324 177.584 -0.398 0.000 1.045 67 A CA -0.671 51.134 52.037 -0.386 0.000 0.792 67 A CB 0.715 19.622 19.000 -0.155 0.000 1.307 67 A HN 0.896 nan 8.150 nan 0.000 0.406 68 L N 4.585 125.678 121.223 -0.217 0.000 2.410 68 L HA 0.355 4.694 4.340 -0.002 0.000 0.273 68 L C -1.661 175.155 176.870 -0.090 0.000 1.152 68 L CA -1.251 53.499 54.840 -0.150 0.000 0.855 68 L CB 0.997 43.000 42.059 -0.092 0.000 1.129 68 L HN 0.541 nan 8.230 nan 0.000 0.463 69 P HA 0.205 nan 4.420 nan 0.000 0.281 69 P C -0.240 177.050 177.300 -0.016 0.000 1.281 69 P CA -0.560 62.525 63.100 -0.026 0.000 0.811 69 P CB 1.577 33.263 31.700 -0.023 0.000 1.154 70 A N 0.483 123.299 122.820 -0.006 0.000 1.930 70 A HA 0.414 4.732 4.320 -0.002 0.000 0.215 70 A C 1.121 178.677 177.584 -0.047 0.000 1.176 70 A CA 1.641 53.668 52.037 -0.018 0.000 0.632 70 A CB -0.773 18.216 19.000 -0.017 0.000 0.819 70 A HN 0.778 nan 8.150 nan 0.000 0.445 71 A N -2.148 120.633 122.820 -0.065 0.000 2.588 71 A HA 0.640 4.959 4.320 -0.002 0.000 0.290 71 A C -1.444 176.118 177.584 -0.036 0.000 1.136 71 A CA -0.333 51.679 52.037 -0.042 0.000 0.681 71 A CB 0.945 19.904 19.000 -0.067 0.000 1.282 71 A HN 0.554 nan 8.150 nan 0.000 0.421 72 V N 0.479 120.382 119.914 -0.018 0.000 2.686 72 V HA 0.556 4.675 4.120 -0.002 0.000 0.306 72 V C -1.198 174.820 176.094 -0.128 0.000 1.065 72 V CA -0.412 61.825 62.300 -0.105 0.000 0.894 72 V CB 1.540 33.275 31.823 -0.147 0.000 1.004 72 V HN 0.912 nan 8.190 nan 0.000 0.424 73 L N 5.037 126.149 121.223 -0.185 0.000 2.296 73 L HA 0.602 4.941 4.340 -0.002 0.000 0.286 73 L C -1.212 175.524 176.870 -0.223 0.000 1.023 73 L CA 0.059 54.847 54.840 -0.087 0.000 0.812 73 L CB 1.072 43.135 42.059 0.006 0.000 1.223 73 L HN 0.603 nan 8.230 nan 0.000 0.421 74 Y N 6.418 126.758 120.300 0.067 0.000 2.960 74 Y HA 0.395 4.951 4.550 0.010 0.000 0.343 74 Y C -2.030 173.904 175.900 0.057 0.000 1.106 74 Y CA -2.278 55.859 58.100 0.062 0.000 1.221 74 Y CB 0.061 38.553 38.460 0.054 0.000 1.232 74 Y HN 0.516 nan 8.280 nan 0.000 0.577 75 P HA 0.021 nan 4.420 nan 0.000 0.271 75 P C 0.423 177.782 177.300 0.097 0.000 1.216 75 P CA 0.133 63.296 63.100 0.104 0.000 0.776 75 P CB 1.860 33.603 31.700 0.072 0.000 0.881 76 S N 0.673 116.419 115.700 0.077 0.000 2.524 76 S HA 0.193 4.662 4.470 -0.002 0.000 0.215 76 S C 0.654 175.278 174.600 0.040 0.000 0.986 76 S CA 0.062 58.298 58.200 0.060 0.000 0.911 76 S CB -0.337 62.896 63.200 0.054 0.000 0.805 76 S HN 0.717 nan 8.310 nan 0.000 0.501 77 S N 0.180 115.902 115.700 0.035 0.000 2.588 77 S HA 0.417 4.886 4.470 -0.002 0.000 0.269 77 S C 0.648 175.256 174.600 0.013 0.000 1.157 77 S CA 0.004 58.216 58.200 0.019 0.000 0.824 77 S CB 0.670 63.880 63.200 0.017 0.000 1.126 77 S HN 0.282 nan 8.310 nan 0.000 0.464 78 T N -1.082 113.471 114.554 -0.002 0.000 2.929 78 T HA 0.030 4.379 4.350 -0.002 0.000 0.271 78 T C 1.995 176.692 174.700 -0.005 0.000 1.085 78 T CA 1.283 63.375 62.100 -0.013 0.000 1.125 78 T CB -0.894 67.957 68.868 -0.028 0.000 0.874 78 T HN 1.142 nan 8.240 nan 0.000 0.494 79 A N 2.394 125.217 122.820 0.004 0.000 1.933 79 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 79 A C 2.174 179.768 177.584 0.018 0.000 1.175 79 A CA 1.682 53.724 52.037 0.009 0.000 0.628 79 A CB -0.726 18.282 19.000 0.013 0.000 0.814 79 A HN 0.474 nan 8.150 nan 0.000 0.444 80 D N 0.127 120.544 120.400 0.028 0.000 2.144 80 D HA -0.109 4.529 4.640 -0.002 0.000 0.199 80 D C 1.915 178.237 176.300 0.037 0.000 0.984 80 D CA 0.977 55.002 54.000 0.042 0.000 0.834 80 D CB -0.316 40.518 40.800 0.057 0.000 0.955 80 D HN 0.484 nan 8.370 nan 0.000 0.465 81 L N 0.283 121.522 121.223 0.026 0.000 2.093 81 L HA -0.116 4.223 4.340 -0.002 0.000 0.208 81 L C 2.544 179.419 176.870 0.007 0.000 1.085 81 L CA 0.483 55.339 54.840 0.026 0.000 0.755 81 L CB -0.359 41.700 42.059 -0.001 0.000 0.904 81 L HN -0.070 nan 8.230 nan 0.000 0.435 82 V N 0.311 120.223 119.914 -0.004 0.000 2.295 82 V HA -0.316 3.803 4.120 -0.002 0.000 0.246 82 V C 2.812 178.894 176.094 -0.019 0.000 1.049 82 V CA 1.872 64.164 62.300 -0.013 0.000 1.024 82 V CB -0.908 30.909 31.823 -0.009 0.000 0.648 82 V HN 0.486 nan 8.190 nan 0.000 0.447 83 A N -0.183 122.635 122.820 -0.004 0.000 1.883 83 A HA -0.232 4.086 4.320 -0.002 0.000 0.217 83 A C 2.179 179.740 177.584 -0.039 0.000 1.186 83 A CA 2.324 54.359 52.037 -0.004 0.000 0.624 83 A CB -0.611 18.407 19.000 0.030 0.000 0.822 83 A HN 0.466 nan 8.150 nan 0.000 0.444 84 L N -0.274 120.929 121.223 -0.033 0.000 1.988 84 L HA -0.080 4.258 4.340 -0.002 0.000 0.207 84 L C 2.303 179.041 176.870 -0.220 0.000 1.071 84 L CA 1.854 56.646 54.840 -0.079 0.000 0.744 84 L CB -0.568 41.492 42.059 0.002 0.000 0.893 84 L HN 0.389 nan 8.230 nan 0.000 0.433 85 L N -0.995 120.144 121.223 -0.140 0.000 2.131 85 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 85 L C 2.425 179.162 176.870 -0.222 0.000 1.092 85 L CA 1.143 55.875 54.840 -0.180 0.000 0.759 85 L CB -0.629 41.396 42.059 -0.057 0.000 0.903 85 L HN 0.257 nan 8.230 nan 0.000 0.435 86 S N -0.145 115.461 115.700 -0.157 0.000 2.371 86 S HA -0.088 4.380 4.470 -0.002 0.000 0.224 86 S C 2.245 176.733 174.600 -0.187 0.000 1.029 86 S CA 1.024 59.150 58.200 -0.124 0.000 0.978 86 S CB -0.202 62.961 63.200 -0.063 0.000 0.833 86 S HN 0.484 nan 8.310 nan 0.000 0.466 87 A N 1.991 124.664 122.820 -0.246 0.000 1.865 87 A HA 0.034 4.353 4.320 -0.002 0.000 0.217 87 A C 2.400 179.671 177.584 -0.522 0.000 1.191 87 A CA 1.862 53.736 52.037 -0.272 0.000 0.623 87 A CB -1.336 17.528 19.000 -0.226 0.000 0.826 87 A HN 0.515 nan 8.150 nan 0.000 0.444 88 A N 0.199 122.350 122.820 -1.115 0.000 1.917 88 A HA -0.290 4.029 4.320 -0.002 0.000 0.219 88 A C 1.988 179.198 177.584 -0.622 0.000 1.182 88 A CA 2.465 53.533 52.037 -1.614 0.000 0.633 88 A CB -0.844 17.119 19.000 -1.728 0.000 0.819 88 A HN 0.656 nan 8.150 nan 0.000 0.448 89 N N -0.023 118.448 118.700 -0.381 0.000 2.188 89 N HA -0.131 4.608 4.740 -0.002 0.000 0.184 89 N C 1.781 177.248 175.510 -0.072 0.000 1.018 89 N CA 2.169 55.121 53.050 -0.162 0.000 0.858 89 N CB -0.194 38.254 38.487 -0.066 0.000 0.989 89 N HN 0.491 nan 8.380 nan 0.000 0.426 90 S N -2.407 113.247 115.700 -0.077 0.000 2.486 90 S HA 0.104 4.572 4.470 -0.002 0.000 0.220 90 S C 0.547 175.158 174.600 0.017 0.000 1.011 90 S CA -0.136 58.053 58.200 -0.018 0.000 0.921 90 S CB -0.456 62.735 63.200 -0.014 0.000 0.785 90 S HN 0.086 nan 8.310 nan 0.000 0.517 91 T N 5.281 119.855 114.554 0.033 0.000 2.775 91 T HA 0.349 4.698 4.350 -0.002 0.000 0.287 91 T C -2.701 172.088 174.700 0.149 0.000 0.909 91 T CA -0.956 61.224 62.100 0.133 0.000 1.081 91 T CB 0.627 69.674 68.868 0.297 0.000 0.891 91 T HN 0.220 nan 8.240 nan 0.000 0.544 92 P HA 0.226 nan 4.420 nan 0.000 0.264 92 P C 1.067 178.421 177.300 0.090 0.000 1.193 92 P CA 0.650 63.798 63.100 0.081 0.000 0.763 92 P CB 0.398 32.131 31.700 0.055 0.000 0.810 93 G N 2.046 110.893 108.800 0.079 0.000 2.159 93 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.256 93 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.256 93 G C -0.015 174.908 174.900 0.038 0.000 0.977 93 G CA -0.513 44.612 45.100 0.042 0.000 0.652 93 G HN 0.629 nan 8.290 nan 0.000 0.531 94 W N 2.456 123.710 121.300 -0.077 0.000 2.534 94 W HA 0.281 4.936 4.660 -0.007 0.000 0.340 94 W C -1.195 175.218 176.519 -0.177 0.000 1.352 94 W CA -0.072 57.211 57.345 -0.103 0.000 1.305 94 W CB 0.622 30.050 29.460 -0.053 0.000 1.299 94 W HN 0.250 nan 8.180 nan 0.000 0.572 95 P HA 0.059 nan 4.420 nan 0.000 0.274 95 P C -1.087 175.786 177.300 -0.712 0.000 1.352 95 P CA 0.180 62.908 63.100 -0.621 0.000 0.947 95 P CB 0.180 31.461 31.700 -0.698 0.000 1.437 96 Y N 1.296 121.321 120.300 -0.457 0.000 2.353 96 Y HA 0.288 4.843 4.550 0.008 0.000 0.340 96 Y C 1.449 177.479 175.900 0.216 0.000 0.972 96 Y CA -0.729 57.281 58.100 -0.151 0.000 1.157 96 Y CB 0.569 38.837 38.460 -0.320 0.000 1.157 96 Y HN -0.171 nan 8.280 nan 0.000 0.495 97 T N 1.486 116.173 114.554 0.223 0.000 2.898 97 T HA 0.643 4.991 4.350 -0.002 0.000 0.301 97 T C -0.181 174.591 174.700 0.119 0.000 1.049 97 T CA -0.492 61.698 62.100 0.150 0.000 1.095 97 T CB 0.776 69.690 68.868 0.077 0.000 0.976 97 T HN 0.475 nan 8.240 nan 0.000 0.539 98 I N 1.268 121.836 120.570 -0.003 0.000 2.498 98 I HA 0.619 4.787 4.170 -0.002 0.000 0.290 98 I C 0.041 175.897 176.117 -0.435 0.000 1.032 98 I CA -1.218 59.990 61.300 -0.154 0.000 1.073 98 I CB 1.848 39.762 38.000 -0.143 0.000 1.251 98 I HN 0.931 nan 8.210 nan 0.000 0.426 99 A N 5.521 128.076 122.820 -0.442 0.000 2.384 99 A HA 0.880 5.198 4.320 -0.002 0.000 0.312 99 A C -1.330 175.894 177.584 -0.600 0.000 1.113 99 A CA -0.376 51.355 52.037 -0.509 0.000 0.779 99 A CB 0.917 19.827 19.000 -0.151 0.000 1.307 99 A HN 0.495 nan 8.150 nan 0.000 0.436 100 F N 0.978 120.949 119.950 0.036 0.000 2.311 100 F HA 0.443 4.968 4.527 -0.005 0.000 0.371 100 F C 0.728 176.553 175.800 0.042 0.000 1.083 100 F CA -0.446 57.571 58.000 0.028 0.000 1.113 100 F CB 1.110 40.123 39.000 0.022 0.000 1.349 100 F HN 0.611 nan 8.300 nan 0.000 0.470 101 R N 1.663 122.263 120.500 0.166 0.000 2.288 101 R HA 0.372 4.711 4.340 -0.002 0.000 0.330 101 R C 1.028 177.417 176.300 0.148 0.000 1.069 101 R CA 0.138 56.322 56.100 0.139 0.000 0.941 101 R CB 0.541 30.908 30.300 0.112 0.000 0.998 101 R HN 0.866 nan 8.270 nan 0.000 0.452 102 G N 3.144 112.039 108.800 0.158 0.000 2.658 102 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.217 102 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.217 102 G C 0.808 175.812 174.900 0.174 0.000 1.319 102 G CA 0.104 45.296 45.100 0.153 0.000 0.885 102 G HN 0.474 nan 8.290 nan 0.000 0.553 103 R N -0.126 120.509 120.500 0.225 0.000 2.531 103 R HA 0.235 4.573 4.340 -0.002 0.000 0.316 103 R C 1.161 177.624 176.300 0.272 0.000 0.955 103 R CA 0.308 56.580 56.100 0.286 0.000 1.120 103 R CB 0.432 30.970 30.300 0.396 0.000 1.361 103 R HN 0.648 nan 8.270 nan 0.000 0.534 104 G N 1.520 110.442 108.800 0.204 0.000 2.221 104 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.265 104 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.265 104 G C 0.514 175.446 174.900 0.054 0.000 1.041 104 G CA 0.408 45.583 45.100 0.125 0.000 0.807 104 G HN 0.454 nan 8.290 nan 0.000 0.502 105 H N 0.030 119.153 119.070 0.088 0.000 2.556 105 H HA 0.144 4.699 4.556 -0.002 0.000 0.268 105 H C 1.626 176.943 175.328 -0.019 0.000 0.996 105 H CA 0.875 56.928 56.048 0.009 0.000 1.157 105 H CB 0.314 30.051 29.762 -0.042 0.000 1.355 105 H HN 0.463 nan 8.280 nan 0.000 0.597 106 S N 0.301 116.016 115.700 0.025 0.000 2.559 106 S HA -0.023 4.445 4.470 -0.002 0.000 0.282 106 S C 1.678 176.233 174.600 -0.076 0.000 1.336 106 S CA -0.162 58.009 58.200 -0.048 0.000 1.037 106 S CB 0.796 63.912 63.200 -0.139 0.000 0.853 106 S HN 0.304 nan 8.310 nan 0.000 0.523 107 L N 0.939 122.109 121.223 -0.087 0.000 2.470 107 L HA 0.254 4.592 4.340 -0.002 0.000 0.219 107 L C 0.837 177.636 176.870 -0.120 0.000 1.071 107 L CA 0.616 55.395 54.840 -0.102 0.000 0.850 107 L CB 0.022 42.043 42.059 -0.062 0.000 1.040 107 L HN 0.489 nan 8.230 nan 0.000 0.475 108 M N 0.042 119.561 119.600 -0.135 0.000 3.404 108 M HA 0.344 4.822 4.480 -0.002 0.000 0.398 108 M C 0.718 176.911 176.300 -0.179 0.000 1.599 108 M CA 0.058 55.288 55.300 -0.117 0.000 0.696 108 M CB 0.486 33.040 32.600 -0.076 0.000 1.427 108 M HN 0.228 nan 8.290 nan 0.000 0.502 109 G N 0.976 109.514 108.800 -0.437 0.000 2.153 109 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.252 109 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.252 109 G C 0.711 175.245 174.900 -0.609 0.000 0.994 109 G CA 0.736 45.279 45.100 -0.928 0.000 0.698 109 G HN 0.482 nan 8.290 nan 0.000 0.521 110 Q N -0.294 119.296 119.800 -0.349 0.000 2.297 110 Q HA 0.301 4.640 4.340 -0.002 0.000 0.208 110 Q C 2.644 178.553 176.000 -0.152 0.000 0.981 110 Q CA 1.894 57.602 55.803 -0.160 0.000 0.876 110 Q CB -0.116 28.581 28.738 -0.068 0.000 0.921 110 Q HN 1.002 nan 8.270 nan 0.000 0.446 111 A N -0.779 121.874 122.820 -0.278 0.000 2.345 111 A HA 0.217 4.536 4.320 -0.002 0.000 0.225 111 A C -0.377 177.230 177.584 0.038 0.000 1.243 111 A CA -0.304 51.669 52.037 -0.108 0.000 0.875 111 A CB 0.157 19.127 19.000 -0.051 0.000 0.929 111 A HN 0.088 nan 8.150 nan 0.000 0.502 112 F N -0.531 119.421 119.950 0.002 0.000 2.380 112 F HA 0.616 5.142 4.527 -0.002 0.000 0.321 112 F C 0.755 176.542 175.800 -0.021 0.000 1.103 112 F CA -1.630 56.366 58.000 -0.007 0.000 1.067 112 F CB 1.228 40.229 39.000 0.002 0.000 1.265 112 F HN 0.035 nan 8.300 nan 0.000 0.517 113 A N 2.194 125.130 122.820 0.193 0.000 3.082 113 A HA 0.568 4.887 4.320 -0.002 0.000 0.328 113 A C -2.756 174.872 177.584 0.073 0.000 1.089 113 A CA -1.537 50.554 52.037 0.090 0.000 0.802 113 A CB -0.202 18.818 19.000 0.034 0.000 1.138 113 A HN 0.382 nan 8.150 nan 0.000 0.474 114 P HA 0.171 nan 4.420 nan 0.000 0.255 114 P C 1.232 178.559 177.300 0.044 0.000 1.173 114 P CA 2.244 65.370 63.100 0.043 0.000 0.780 114 P CB 0.427 32.161 31.700 0.057 0.000 0.758 115 G N 2.597 111.418 108.800 0.034 0.000 2.166 115 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.260 115 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.260 115 G C 0.625 175.609 174.900 0.141 0.000 0.986 115 G CA 0.140 45.279 45.100 0.064 0.000 0.683 115 G HN 0.813 nan 8.290 nan 0.000 0.527 116 G N -1.784 107.087 108.800 0.117 0.000 3.175 116 G HA2 0.692 4.651 3.960 -0.002 0.000 0.153 116 G HA3 0.692 4.651 3.960 -0.002 0.000 0.153 116 G C -0.634 174.294 174.900 0.047 0.000 1.216 116 G CA 0.116 45.320 45.100 0.174 0.000 0.943 116 G HN 0.918 nan 8.290 nan 0.000 0.611 117 V N 0.355 120.296 119.914 0.046 0.000 2.448 117 V HA 0.496 4.614 4.120 -0.002 0.000 0.295 117 V C -0.485 175.591 176.094 -0.029 0.000 1.025 117 V CA -0.600 61.693 62.300 -0.012 0.000 0.859 117 V CB 1.466 33.297 31.823 0.014 0.000 0.988 117 V HN 0.374 nan 8.190 nan 0.000 0.431 118 V N 5.690 125.579 119.914 -0.042 0.000 2.394 118 V HA 0.368 4.487 4.120 -0.002 0.000 0.282 118 V C 0.005 176.058 176.094 -0.070 0.000 1.031 118 V CA -0.555 61.715 62.300 -0.049 0.000 0.881 118 V CB 1.933 33.748 31.823 -0.013 0.000 0.982 118 V HN 0.627 nan 8.190 nan 0.000 0.451 119 V N 5.162 125.057 119.914 -0.031 0.000 2.385 119 V HA 0.215 4.334 4.120 -0.002 0.000 0.269 119 V C 0.841 176.934 176.094 -0.001 0.000 1.043 119 V CA -0.465 61.845 62.300 0.017 0.000 0.906 119 V CB 1.214 33.164 31.823 0.212 0.000 0.995 119 V HN 0.887 nan 8.190 nan 0.000 0.467 120 N N 6.024 124.643 118.700 -0.135 0.000 2.895 120 N HA 0.042 4.781 4.740 -0.002 0.000 0.277 120 N C 1.286 176.805 175.510 0.014 0.000 1.185 120 N CA -0.432 52.552 53.050 -0.110 0.000 1.106 120 N CB 0.532 38.799 38.487 -0.367 0.000 1.422 120 N HN 0.570 nan 8.380 nan 0.000 0.521 121 M N 1.230 120.870 119.600 0.067 0.000 2.146 121 M HA -0.222 4.257 4.480 -0.002 0.000 0.256 121 M C 2.086 178.425 176.300 0.065 0.000 1.075 121 M CA 1.131 56.474 55.300 0.071 0.000 1.082 121 M CB -1.525 31.123 32.600 0.080 0.000 1.355 121 M HN 0.522 nan 8.290 nan 0.000 0.402 122 A N -0.345 122.526 122.820 0.084 0.000 2.032 122 A HA -0.145 4.173 4.320 -0.002 0.000 0.221 122 A C 2.414 180.055 177.584 0.094 0.000 1.165 122 A CA 2.053 54.143 52.037 0.088 0.000 0.645 122 A CB -0.800 18.269 19.000 0.115 0.000 0.807 122 A HN 0.542 nan 8.150 nan 0.000 0.453 123 S N -0.255 115.517 115.700 0.120 0.000 2.442 123 S HA -0.052 4.417 4.470 -0.002 0.000 0.236 123 S C 1.569 176.220 174.600 0.085 0.000 1.007 123 S CA 1.083 59.365 58.200 0.137 0.000 0.965 123 S CB -0.386 62.939 63.200 0.208 0.000 0.773 123 S HN 0.582 nan 8.310 nan 0.000 0.504 124 L N 0.618 121.876 121.223 0.059 0.000 2.362 124 L HA -0.026 4.313 4.340 -0.002 0.000 0.219 124 L C 2.102 178.985 176.870 0.021 0.000 1.134 124 L CA 0.894 55.753 54.840 0.032 0.000 0.807 124 L CB -0.451 41.614 42.059 0.010 0.000 0.927 124 L HN 0.391 nan 8.230 nan 0.000 0.447 125 G N -1.866 106.950 108.800 0.026 0.000 3.502 125 G HA2 -0.017 3.941 3.960 -0.002 0.000 0.267 125 G HA3 -0.017 3.941 3.960 -0.002 0.000 0.267 125 G C 0.646 175.560 174.900 0.023 0.000 1.090 125 G CA -0.261 44.847 45.100 0.014 0.000 0.795 125 G HN 0.135 nan 8.290 nan 0.000 0.535 126 D N 1.875 122.296 120.400 0.035 0.000 2.077 126 D HA 0.014 4.653 4.640 -0.002 0.000 0.196 126 D C 2.067 178.380 176.300 0.023 0.000 0.986 126 D CA 0.891 54.912 54.000 0.035 0.000 0.829 126 D CB -0.273 40.554 40.800 0.044 0.000 0.983 126 D HN 0.304 nan 8.370 nan 0.000 0.453 127 A N 0.465 123.297 122.820 0.020 0.000 2.586 127 A HA 0.272 4.591 4.320 -0.002 0.000 0.231 127 A C 1.151 178.740 177.584 0.009 0.000 1.055 127 A CA 0.737 52.782 52.037 0.014 0.000 0.756 127 A CB 0.269 19.277 19.000 0.013 0.000 0.988 127 A HN 0.221 nan 8.150 nan 0.000 0.509 128 A N 0.986 123.810 122.820 0.007 0.000 2.251 128 A HA 0.553 4.872 4.320 -0.002 0.000 0.209 128 A C 0.828 178.412 177.584 0.001 0.000 1.187 128 A CA 1.067 53.106 52.037 0.003 0.000 0.823 128 A CB -0.637 18.365 19.000 0.004 0.000 0.846 128 A HN 2.424 nan 8.150 nan 0.000 0.486 129 A N 0.116 122.937 122.820 0.001 0.000 2.590 129 A HA 0.586 4.905 4.320 -0.002 0.000 0.296 129 A C -3.059 174.526 177.584 0.000 0.000 1.050 129 A CA -0.961 51.075 52.037 -0.001 0.000 0.697 129 A CB 0.301 19.301 19.000 -0.000 0.000 1.277 129 A HN 0.127 nan 8.150 nan 0.000 0.411 130 P HA 0.500 nan 4.420 nan 0.000 0.274 130 P C -2.631 174.665 177.300 -0.007 0.000 1.246 130 P CA -0.900 62.198 63.100 -0.004 0.000 0.795 130 P CB -0.189 31.508 31.700 -0.005 0.000 1.006 131 P HA 0.084 nan 4.420 nan 0.000 0.267 131 P C 0.400 177.689 177.300 -0.019 0.000 1.200 131 P CA -0.068 63.024 63.100 -0.014 0.000 0.772 131 P CB 0.785 32.477 31.700 -0.013 0.000 0.855 132 R N 1.408 121.891 120.500 -0.027 0.000 2.334 132 R HA 0.329 4.668 4.340 -0.002 0.000 0.216 132 R C 0.402 176.671 176.300 -0.053 0.000 0.905 132 R CA 0.069 56.145 56.100 -0.039 0.000 1.064 132 R CB -0.043 30.230 30.300 -0.043 0.000 1.046 132 R HN 0.537 nan 8.270 nan 0.000 0.508 133 I N 1.999 122.543 120.570 -0.043 0.000 2.497 133 I HA 0.227 4.396 4.170 -0.002 0.000 0.284 133 I C -0.985 175.119 176.117 -0.023 0.000 1.060 133 I CA -0.602 60.671 61.300 -0.046 0.000 1.071 133 I CB 1.797 39.763 38.000 -0.058 0.000 1.216 133 I HN -0.185 nan 8.210 nan 0.000 0.442 134 N N 6.061 124.757 118.700 -0.007 0.000 2.399 134 N HA 0.360 5.099 4.740 -0.002 0.000 0.280 134 N C -0.603 174.918 175.510 0.018 0.000 1.008 134 N CA -0.467 52.586 53.050 0.005 0.000 0.894 134 N CB 3.003 41.499 38.487 0.015 0.000 1.273 134 N HN 0.144 nan 8.380 nan 0.000 0.486 135 V N 1.656 121.564 119.914 -0.010 0.000 2.614 135 V HA 0.081 4.200 4.120 -0.002 0.000 0.291 135 V C 1.137 177.169 176.094 -0.102 0.000 1.049 135 V CA -0.463 61.812 62.300 -0.041 0.000 1.038 135 V CB 0.984 32.780 31.823 -0.045 0.000 0.980 135 V HN 0.799 nan 8.190 nan 0.000 0.481 136 S N 4.416 119.958 115.700 -0.264 0.000 2.573 136 S HA 0.273 4.742 4.470 -0.002 0.000 0.277 136 S C 1.380 175.820 174.600 -0.266 0.000 1.346 136 S CA 0.034 57.982 58.200 -0.421 0.000 1.034 136 S CB 1.229 63.666 63.200 -1.271 0.000 0.879 136 S HN 1.109 nan 8.310 nan 0.000 0.528 137 A N 2.020 124.732 122.820 -0.181 0.000 1.940 137 A HA -0.130 4.189 4.320 -0.002 0.000 0.219 137 A C 1.647 179.154 177.584 -0.128 0.000 1.176 137 A CA 1.786 53.753 52.037 -0.116 0.000 0.631 137 A CB -1.139 17.817 19.000 -0.073 0.000 0.814 137 A HN 1.022 nan 8.150 nan 0.000 0.446 138 D N -2.142 118.154 120.400 -0.174 0.000 2.340 138 D HA 0.287 4.926 4.640 -0.002 0.000 0.220 138 D C 1.127 177.333 176.300 -0.158 0.000 1.039 138 D CA 0.737 54.653 54.000 -0.141 0.000 0.866 138 D CB -0.788 39.939 40.800 -0.121 0.000 0.913 138 D HN 0.721 nan 8.370 nan 0.000 0.523 139 G N 0.841 109.516 108.800 -0.208 0.000 2.225 139 G HA2 -0.363 3.595 3.960 -0.002 0.000 0.267 139 G HA3 -0.363 3.595 3.960 -0.002 0.000 0.267 139 G C 1.130 175.933 174.900 -0.161 0.000 1.024 139 G CA 0.372 45.371 45.100 -0.169 0.000 0.784 139 G HN 0.338 nan 8.290 nan 0.000 0.507 140 R N -1.319 119.034 120.500 -0.245 0.000 2.223 140 R HA 0.240 4.579 4.340 -0.002 0.000 0.198 140 R C 0.907 177.199 176.300 -0.013 0.000 0.984 140 R CA 1.524 57.557 56.100 -0.112 0.000 1.018 140 R CB 0.063 30.334 30.300 -0.050 0.000 0.945 140 R HN 0.869 nan 8.270 nan 0.000 0.479 141 Y N -4.055 116.233 120.300 -0.021 0.000 2.764 141 Y HA 0.646 5.195 4.550 -0.002 0.000 0.331 141 Y C -1.278 174.607 175.900 -0.025 0.000 1.280 141 Y CA -1.763 56.322 58.100 -0.025 0.000 1.065 141 Y CB 1.077 39.522 38.460 -0.026 0.000 1.319 141 Y HN -0.297 nan 8.280 nan 0.000 0.453 142 V N 1.973 122.072 119.914 0.307 0.000 2.569 142 V HA 0.431 4.550 4.120 -0.002 0.000 0.301 142 V C -1.529 174.650 176.094 0.141 0.000 1.044 142 V CA -0.526 61.878 62.300 0.174 0.000 0.874 142 V CB 1.546 33.403 31.823 0.056 0.000 1.002 142 V HN 0.865 nan 8.190 nan 0.000 0.424 143 D N 5.396 125.875 120.400 0.130 0.000 2.277 143 D HA 0.686 5.325 4.640 -0.002 0.000 0.249 143 D C -0.065 176.213 176.300 -0.036 0.000 1.134 143 D CA 0.379 54.398 54.000 0.030 0.000 0.863 143 D CB 1.978 42.804 40.800 0.044 0.000 1.143 143 D HN 0.868 nan 8.370 nan 0.000 0.458 144 A N 1.694 124.458 122.820 -0.093 0.000 2.449 144 A HA 0.675 4.994 4.320 -0.002 0.000 0.302 144 A C 0.294 177.792 177.584 -0.144 0.000 1.048 144 A CA -0.742 51.209 52.037 -0.143 0.000 0.708 144 A CB 1.586 20.437 19.000 -0.248 0.000 1.274 144 A HN 0.459 nan 8.150 nan 0.000 0.410 145 G N 0.268 108.992 108.800 -0.127 0.000 2.441 145 G HA2 0.411 4.370 3.960 -0.002 0.000 0.243 145 G HA3 0.411 4.370 3.960 -0.002 0.000 0.243 145 G C 1.088 175.905 174.900 -0.138 0.000 1.281 145 G CA 0.242 45.276 45.100 -0.109 0.000 0.854 145 G HN 1.471 nan 8.290 nan 0.000 0.560 146 G N 0.986 109.715 108.800 -0.119 0.000 2.479 146 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.220 146 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.220 146 G C 1.409 176.250 174.900 -0.098 0.000 1.115 146 G CA 1.214 46.243 45.100 -0.118 0.000 0.757 146 G HN 0.705 nan 8.290 nan 0.000 0.560 147 E N 0.346 120.499 120.200 -0.079 0.000 2.442 147 E HA 0.012 4.361 4.350 -0.002 0.000 0.195 147 E C 0.583 177.145 176.600 -0.064 0.000 1.030 147 E CA -0.010 56.365 56.400 -0.041 0.000 0.869 147 E CB -0.277 29.418 29.700 -0.010 0.000 0.857 147 E HN 0.255 nan 8.360 nan 0.000 0.505 148 Q N 1.546 121.271 119.800 -0.125 0.000 2.395 148 Q HA 0.154 4.493 4.340 -0.002 0.000 0.271 148 Q C 0.353 176.223 176.000 -0.216 0.000 1.026 148 Q CA -0.016 55.691 55.803 -0.160 0.000 0.900 148 Q CB 1.522 30.138 28.738 -0.204 0.000 1.266 148 Q HN 0.176 nan 8.270 nan 0.000 0.430 149 V N -0.987 118.825 119.914 -0.171 0.000 2.567 149 V HA 0.198 4.317 4.120 -0.002 0.000 0.289 149 V C 0.723 176.699 176.094 -0.197 0.000 1.049 149 V CA -0.848 61.358 62.300 -0.158 0.000 0.969 149 V CB 0.710 32.452 31.823 -0.135 0.000 0.995 149 V HN 0.872 nan 8.190 nan 0.000 0.471 150 W N 2.103 123.343 121.300 -0.099 0.000 2.331 150 W HA -0.166 4.493 4.660 -0.001 0.000 0.291 150 W C 2.058 178.537 176.519 -0.066 0.000 1.214 150 W CA 1.605 58.938 57.345 -0.021 0.000 1.228 150 W CB -0.339 29.172 29.460 0.084 0.000 1.135 150 W HN 0.671 nan 8.180 nan 0.000 0.537 151 I N 0.757 121.261 120.570 -0.110 0.000 2.208 151 I HA -0.301 3.868 4.170 -0.002 0.000 0.245 151 I C 1.783 177.799 176.117 -0.168 0.000 1.097 151 I CA 1.976 63.107 61.300 -0.281 0.000 1.363 151 I CB -0.624 36.919 38.000 -0.762 0.000 1.051 151 I HN -0.122 nan 8.210 nan 0.000 0.413 152 D N -0.257 120.042 120.400 -0.169 0.000 2.183 152 D HA -0.083 4.556 4.640 -0.002 0.000 0.203 152 D C 2.416 178.682 176.300 -0.057 0.000 0.969 152 D CA 1.203 55.138 54.000 -0.109 0.000 0.842 152 D CB -0.147 40.586 40.800 -0.112 0.000 0.957 152 D HN 0.299 nan 8.370 nan 0.000 0.484 153 V N 1.404 121.290 119.914 -0.046 0.000 2.343 153 V HA -0.219 3.899 4.120 -0.002 0.000 0.247 153 V C 2.480 178.644 176.094 0.116 0.000 1.051 153 V CA 1.018 63.311 62.300 -0.012 0.000 1.036 153 V CB -0.456 31.313 31.823 -0.089 0.000 0.654 153 V HN 0.135 nan 8.190 nan 0.000 0.451 154 L N 0.486 121.836 121.223 0.212 0.000 1.970 154 L HA -0.191 4.148 4.340 -0.002 0.000 0.212 154 L C 2.597 179.520 176.870 0.088 0.000 1.071 154 L CA 2.039 57.020 54.840 0.235 0.000 0.751 154 L CB -0.729 41.375 42.059 0.075 0.000 0.889 154 L HN 0.165 nan 8.230 nan 0.000 0.432 155 R N -0.437 120.069 120.500 0.011 0.000 2.083 155 R HA -0.165 4.174 4.340 -0.002 0.000 0.237 155 R C 2.275 178.580 176.300 0.008 0.000 1.137 155 R CA 1.562 57.656 56.100 -0.009 0.000 0.951 155 R CB -0.830 29.447 30.300 -0.039 0.000 0.851 155 R HN 0.586 nan 8.270 nan 0.000 0.434 156 A N 0.363 123.187 122.820 0.006 0.000 1.933 156 A HA -0.159 4.160 4.320 -0.002 0.000 0.218 156 A C 2.199 179.795 177.584 0.020 0.000 1.175 156 A CA 1.818 53.857 52.037 0.004 0.000 0.628 156 A CB -0.409 18.585 19.000 -0.010 0.000 0.814 156 A HN 0.255 nan 8.150 nan 0.000 0.444 157 S N -0.084 115.645 115.700 0.049 0.000 2.355 157 S HA -0.057 4.411 4.470 -0.002 0.000 0.222 157 S C 1.826 176.464 174.600 0.064 0.000 1.031 157 S CA 1.354 59.593 58.200 0.065 0.000 0.993 157 S CB -0.474 62.799 63.200 0.122 0.000 0.859 157 S HN 0.516 nan 8.310 nan 0.000 0.453 158 L N 1.370 122.639 121.223 0.076 0.000 2.079 158 L HA -0.157 4.182 4.340 -0.002 0.000 0.210 158 L C 2.712 179.602 176.870 0.034 0.000 1.081 158 L CA 1.138 56.017 54.840 0.065 0.000 0.752 158 L CB -0.750 41.345 42.059 0.059 0.000 0.896 158 L HN 0.327 nan 8.230 nan 0.000 0.433 159 A N -0.458 122.375 122.820 0.021 0.000 2.076 159 A HA -0.145 4.174 4.320 -0.002 0.000 0.220 159 A C 1.965 179.552 177.584 0.005 0.000 1.160 159 A CA 1.295 53.337 52.037 0.008 0.000 0.653 159 A CB -0.260 18.741 19.000 0.002 0.000 0.801 159 A HN 0.291 nan 8.150 nan 0.000 0.455 160 R N -1.520 118.985 120.500 0.008 0.000 2.546 160 R HA 0.233 4.572 4.340 -0.002 0.000 0.320 160 R C 1.078 177.378 176.300 0.001 0.000 1.021 160 R CA 0.504 56.603 56.100 -0.002 0.000 1.088 160 R CB -0.488 29.805 30.300 -0.012 0.000 1.278 160 R HN 0.728 nan 8.270 nan 0.000 0.557 161 G N 1.122 109.929 108.800 0.013 0.000 2.168 161 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.257 161 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.257 161 G C 0.315 175.228 174.900 0.021 0.000 0.997 161 G CA 0.747 45.855 45.100 0.014 0.000 0.708 161 G HN 0.319 nan 8.290 nan 0.000 0.520 162 V N -4.232 115.705 119.914 0.039 0.000 3.156 162 V HA 1.081 5.200 4.120 -0.002 0.000 0.311 162 V C 0.057 176.223 176.094 0.120 0.000 1.208 162 V CA -0.538 61.794 62.300 0.053 0.000 1.063 162 V CB 1.828 33.663 31.823 0.020 0.000 1.098 162 V HN 2.122 nan 8.190 nan 0.000 0.452 163 A N 0.501 123.410 122.820 0.149 0.000 2.590 163 A HA 0.843 5.162 4.320 -0.002 0.000 0.296 163 A C -3.372 174.329 177.584 0.195 0.000 1.050 163 A CA -1.140 51.064 52.037 0.279 0.000 0.697 163 A CB 1.062 20.360 19.000 0.497 0.000 1.277 163 A HN 0.714 nan 8.150 nan 0.000 0.411 164 P HA 0.196 nan 4.420 nan 0.000 0.269 164 P C 0.402 177.514 177.300 -0.314 0.000 1.211 164 P CA 0.111 63.037 63.100 -0.291 0.000 0.781 164 P CB 0.455 31.721 31.700 -0.723 0.000 0.877 165 R N -0.362 119.884 120.500 -0.422 0.000 2.237 165 R HA 0.193 4.532 4.340 -0.002 0.000 0.195 165 R C 0.623 176.680 176.300 -0.405 0.000 0.956 165 R CA 0.421 56.268 56.100 -0.421 0.000 1.029 165 R CB 0.231 30.078 30.300 -0.756 0.000 0.972 165 R HN 0.330 nan 8.270 nan 0.000 0.493 166 S N -0.054 115.294 115.700 -0.587 0.000 2.502 166 S HA 0.474 4.942 4.470 -0.002 0.000 0.304 166 S C -1.514 172.642 174.600 -0.742 0.000 1.097 166 S CA -0.825 57.121 58.200 -0.423 0.000 1.045 166 S CB 0.693 63.705 63.200 -0.314 0.000 1.019 166 S HN 0.190 nan 8.310 nan 0.000 0.481 167 W N 1.097 122.275 121.300 -0.204 0.000 3.518 167 W HA 0.634 5.292 4.660 -0.003 0.000 0.331 167 W C 0.041 176.404 176.519 -0.259 0.000 1.205 167 W CA -0.611 56.539 57.345 -0.324 0.000 0.956 167 W CB 0.362 29.706 29.460 -0.194 0.000 1.645 167 W HN 0.625 nan 8.180 nan 0.000 0.615 168 T N -2.422 112.179 114.554 0.078 0.000 2.907 168 T HA 0.268 4.616 4.350 -0.002 0.000 0.292 168 T C -0.008 174.760 174.700 0.114 0.000 1.043 168 T CA -0.645 61.502 62.100 0.078 0.000 1.003 168 T CB 1.876 70.762 68.868 0.029 0.000 1.084 168 T HN 0.292 nan 8.240 nan 0.000 0.483 169 D N -0.299 120.191 120.400 0.150 0.000 2.178 169 D HA -0.038 4.601 4.640 -0.002 0.000 0.201 169 D C -0.032 176.344 176.300 0.128 0.000 0.980 169 D CA 1.556 55.623 54.000 0.113 0.000 0.842 169 D CB -0.077 40.813 40.800 0.150 0.000 0.948 169 D HN 0.600 nan 8.370 nan 0.000 0.472 170 Y N 0.717 121.039 120.300 0.036 0.000 2.328 170 Y HA 0.277 4.825 4.550 -0.003 0.000 0.337 170 Y C 0.669 176.609 175.900 0.066 0.000 0.966 170 Y CA -0.690 57.447 58.100 0.062 0.000 1.136 170 Y CB 0.909 39.418 38.460 0.083 0.000 1.170 170 Y HN -0.275 nan 8.280 nan 0.000 0.470 171 L N 5.632 126.694 121.223 -0.269 0.000 2.554 171 L HA -0.002 4.337 4.340 -0.002 0.000 0.226 171 L C -0.013 176.625 176.870 -0.388 0.000 1.137 171 L CA 0.342 55.039 54.840 -0.239 0.000 0.863 171 L CB -0.205 41.688 42.059 -0.276 0.000 0.985 171 L HN 0.658 nan 8.230 nan 0.000 0.451 172 Y N 1.612 121.448 120.300 -0.774 0.000 2.994 172 Y HA 0.364 4.912 4.550 -0.003 0.000 0.393 172 Y C 0.150 175.974 175.900 -0.127 0.000 1.118 172 Y CA -0.088 57.756 58.100 -0.427 0.000 1.906 172 Y CB -0.470 37.723 38.460 -0.445 0.000 1.925 172 Y HN 0.020 nan 8.280 nan 0.000 0.446 173 L N -0.400 120.877 121.223 0.091 0.000 2.333 173 L HA 0.604 4.942 4.340 -0.002 0.000 0.263 173 L C 0.369 177.403 176.870 0.273 0.000 1.014 173 L CA -1.273 53.700 54.840 0.221 0.000 0.820 173 L CB 2.147 44.362 42.059 0.261 0.000 1.352 173 L HN 0.098 nan 8.230 nan 0.000 0.421 174 T N -2.202 112.479 114.554 0.212 0.000 2.899 174 T HA 0.318 4.667 4.350 -0.002 0.000 0.284 174 T C 1.099 175.837 174.700 0.063 0.000 1.004 174 T CA -0.744 61.395 62.100 0.065 0.000 1.043 174 T CB 1.701 70.603 68.868 0.056 0.000 1.013 174 T HN 0.242 nan 8.240 nan 0.000 0.518 175 V N 2.532 122.282 119.914 -0.275 0.000 2.261 175 V HA -0.037 4.082 4.120 -0.002 0.000 0.246 175 V C 2.906 179.028 176.094 0.047 0.000 1.047 175 V CA 2.509 64.626 62.300 -0.304 0.000 1.015 175 V CB -1.463 30.027 31.823 -0.555 0.000 0.642 175 V HN 1.129 nan 8.190 nan 0.000 0.446 176 G N -0.497 108.300 108.800 -0.005 0.000 2.448 176 G HA2 -0.123 3.835 3.960 -0.002 0.000 0.219 176 G HA3 -0.123 3.835 3.960 -0.002 0.000 0.219 176 G C 1.551 176.520 174.900 0.115 0.000 1.127 176 G CA 0.954 46.075 45.100 0.036 0.000 0.766 176 G HN 0.602 nan 8.290 nan 0.000 0.552 177 G N 0.678 109.571 108.800 0.155 0.000 2.404 177 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.214 177 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.214 177 G C 2.020 177.058 174.900 0.230 0.000 1.189 177 G CA 2.116 47.331 45.100 0.191 0.000 0.789 177 G HN 0.543 nan 8.290 nan 0.000 0.533 178 T N -0.180 114.557 114.554 0.305 0.000 2.867 178 T HA 0.062 4.411 4.350 -0.002 0.000 0.268 178 T C 2.392 177.254 174.700 0.269 0.000 1.057 178 T CA 0.871 63.154 62.100 0.305 0.000 1.136 178 T CB -0.269 68.800 68.868 0.335 0.000 0.874 178 T HN 0.161 nan 8.240 nan 0.000 0.466 179 L N 0.943 122.317 121.223 0.252 0.000 2.291 179 L HA 0.061 4.399 4.340 -0.002 0.000 0.214 179 L C 2.664 179.636 176.870 0.170 0.000 1.120 179 L CA 0.765 55.712 54.840 0.178 0.000 0.799 179 L CB -0.422 41.713 42.059 0.126 0.000 0.925 179 L HN 0.307 nan 8.230 nan 0.000 0.446 180 S N -0.595 115.220 115.700 0.193 0.000 2.562 180 S HA 0.025 4.493 4.470 -0.002 0.000 0.221 180 S C 1.331 176.095 174.600 0.274 0.000 0.975 180 S CA 0.327 58.655 58.200 0.214 0.000 0.918 180 S CB -0.021 63.295 63.200 0.193 0.000 0.772 180 S HN 0.471 nan 8.310 nan 0.000 0.531 181 N N 0.265 119.144 118.700 0.298 0.000 2.804 181 N HA 0.380 5.119 4.740 -0.002 0.000 0.233 181 N C 1.098 176.936 175.510 0.548 0.000 1.020 181 N CA 1.006 54.294 53.050 0.397 0.000 1.164 181 N CB 0.403 39.067 38.487 0.294 0.000 1.571 181 N HN 0.324 nan 8.380 nan 0.000 0.551 182 A N -0.626 122.491 122.820 0.494 0.000 2.511 182 A HA 0.410 4.729 4.320 -0.002 0.000 0.201 182 A C 0.121 177.814 177.584 0.182 0.000 1.628 182 A CA 0.840 53.086 52.037 0.349 0.000 1.578 182 A CB -0.340 18.955 19.000 0.492 0.000 1.443 182 A HN 0.574 nan 8.150 nan 0.000 0.514 183 G N 0.699 109.682 108.800 0.305 0.000 2.858 183 G HA2 0.207 4.166 3.960 -0.002 0.000 0.266 183 G HA3 0.207 4.166 3.960 -0.002 0.000 0.266 183 G C -0.301 174.635 174.900 0.062 0.000 1.023 183 G CA 0.186 45.369 45.100 0.139 0.000 1.172 183 G HN 1.922 nan 8.290 nan 0.000 0.523 184 I N -1.404 119.277 120.570 0.184 0.000 2.740 184 I HA 0.986 5.154 4.170 -0.002 0.000 0.303 184 I C 0.032 176.291 176.117 0.237 0.000 1.044 184 I CA -0.879 60.540 61.300 0.198 0.000 1.064 184 I CB 2.424 40.618 38.000 0.323 0.000 1.249 184 I HN 0.602 nan 8.210 nan 0.000 0.433 185 S N 1.887 117.714 115.700 0.212 0.000 2.714 185 S HA 0.504 4.972 4.470 -0.002 0.000 0.280 185 S C 0.632 175.168 174.600 -0.107 0.000 1.200 185 S CA 0.007 58.289 58.200 0.136 0.000 0.900 185 S CB 0.733 64.051 63.200 0.196 0.000 1.235 185 S HN 1.061 nan 8.310 nan 0.000 0.512 186 G N 0.222 108.796 108.800 -0.377 0.000 2.625 186 G HA2 -0.021 3.938 3.960 -0.002 0.000 0.214 186 G HA3 -0.021 3.938 3.960 -0.002 0.000 0.214 186 G C 0.673 175.487 174.900 -0.144 0.000 1.132 186 G CA 0.793 45.407 45.100 -0.811 0.000 0.782 186 G HN 0.549 nan 8.290 nan 0.000 0.538 187 Q N -0.023 119.817 119.800 0.067 0.000 2.408 187 Q HA 0.433 4.772 4.340 -0.002 0.000 0.205 187 Q C 2.522 178.417 176.000 -0.175 0.000 0.919 187 Q CA 0.632 56.455 55.803 0.034 0.000 0.932 187 Q CB 0.088 28.961 28.738 0.226 0.000 1.058 187 Q HN 0.333 nan 8.270 nan 0.000 0.517 188 A N 0.754 123.534 122.820 -0.067 0.000 2.019 188 A HA -0.168 4.151 4.320 -0.002 0.000 0.219 188 A C 1.774 179.250 177.584 -0.180 0.000 1.164 188 A CA 1.234 53.208 52.037 -0.106 0.000 0.644 188 A CB -0.929 18.092 19.000 0.035 0.000 0.805 188 A HN 0.586 nan 8.150 nan 0.000 0.449 189 F N 1.225 121.034 119.950 -0.235 0.000 2.216 189 F HA -0.142 4.383 4.527 -0.002 0.000 0.300 189 F C 2.019 177.388 175.800 -0.718 0.000 1.085 189 F CA 1.400 59.184 58.000 -0.361 0.000 1.326 189 F CB -0.323 38.476 39.000 -0.335 0.000 1.027 189 F HN 0.318 nan 8.300 nan 0.000 0.497 190 R N -1.104 118.339 120.500 -1.762 0.000 2.221 190 R HA 0.142 4.480 4.340 -0.002 0.000 0.195 190 R C 1.209 176.881 176.300 -1.047 0.000 0.956 190 R CA 0.582 55.495 56.100 -1.977 0.000 1.064 190 R CB -0.766 28.276 30.300 -2.097 0.000 1.049 190 R HN 0.321 nan 8.270 nan 0.000 0.534 191 H N 0.714 119.448 119.070 -0.560 0.000 2.586 191 H HA 0.298 4.853 4.556 -0.002 0.000 0.273 191 H C 0.676 175.832 175.328 -0.286 0.000 0.997 191 H CA 0.749 56.608 56.048 -0.315 0.000 1.177 191 H CB 0.938 30.544 29.762 -0.259 0.000 1.471 191 H HN 0.488 nan 8.280 nan 0.000 0.538 192 G N 2.229 110.876 108.800 -0.254 0.000 2.814 192 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.677 192 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.677 192 G C -2.624 172.022 174.900 -0.423 0.000 1.429 192 G CA -0.598 44.286 45.100 -0.359 0.000 0.868 192 G HN 0.079 nan 8.290 nan 0.000 0.553 193 P HA 0.099 nan 4.420 nan 0.000 0.272 193 P C 0.821 177.896 177.300 -0.375 0.000 1.254 193 P CA 0.105 62.861 63.100 -0.574 0.000 0.795 193 P CB 0.417 31.514 31.700 -1.004 0.000 1.022 194 Q N 0.001 119.637 119.800 -0.273 0.000 2.181 194 Q HA -0.145 4.194 4.340 -0.002 0.000 0.205 194 Q C 1.902 177.821 176.000 -0.135 0.000 0.980 194 Q CA 1.569 57.242 55.803 -0.217 0.000 0.862 194 Q CB -0.677 27.928 28.738 -0.221 0.000 0.905 194 Q HN 0.553 nan 8.270 nan 0.000 0.429 195 I N -2.694 117.786 120.570 -0.149 0.000 2.916 195 I HA -0.067 4.101 4.170 -0.002 0.000 0.267 195 I C 1.292 177.327 176.117 -0.138 0.000 1.263 195 I CA 0.807 62.036 61.300 -0.118 0.000 1.471 195 I CB 0.025 37.973 38.000 -0.086 0.000 1.089 195 I HN -0.134 nan 8.210 nan 0.000 0.468 196 S N 0.988 116.578 115.700 -0.184 0.000 2.577 196 S HA 0.203 4.672 4.470 -0.002 0.000 0.219 196 S C 0.777 175.333 174.600 -0.073 0.000 0.962 196 S CA -0.193 57.930 58.200 -0.129 0.000 0.921 196 S CB -0.252 62.825 63.200 -0.205 0.000 0.789 196 S HN 0.525 nan 8.310 nan 0.000 0.497 197 N N 1.554 120.209 118.700 -0.074 0.000 2.480 197 N HA 0.205 4.944 4.740 -0.002 0.000 0.281 197 N C -1.110 174.400 175.510 -0.000 0.000 1.381 197 N CA 0.153 53.172 53.050 -0.052 0.000 0.903 197 N CB 1.608 40.024 38.487 -0.119 0.000 1.274 197 N HN 0.069 nan 8.380 nan 0.000 0.505 198 V N 1.672 121.615 119.914 0.048 0.000 2.409 198 V HA 0.265 4.384 4.120 -0.002 0.000 0.291 198 V C 1.092 177.300 176.094 0.189 0.000 1.020 198 V CA -0.497 61.861 62.300 0.097 0.000 0.848 198 V CB 2.176 34.044 31.823 0.075 0.000 0.990 198 V HN 0.046 nan 8.190 nan 0.000 0.430 199 L N 3.253 124.515 121.223 0.066 0.000 2.127 199 L HA 0.212 4.550 4.340 -0.002 0.000 0.203 199 L C 0.989 177.816 176.870 -0.073 0.000 1.080 199 L CA 1.321 56.144 54.840 -0.028 0.000 0.768 199 L CB -0.218 41.748 42.059 -0.156 0.000 0.924 199 L HN 0.956 nan 8.230 nan 0.000 0.444 200 E N -2.452 117.755 120.200 0.012 0.000 2.422 200 E HA 0.596 4.945 4.350 -0.002 0.000 0.280 200 E C -1.224 175.436 176.600 0.100 0.000 1.091 200 E CA -0.746 55.668 56.400 0.023 0.000 0.849 200 E CB 1.439 31.049 29.700 -0.151 0.000 1.353 200 E HN -0.103 nan 8.360 nan 0.000 0.449 201 M N 0.484 120.149 119.600 0.109 0.000 2.622 201 M HA 0.422 4.901 4.480 -0.002 0.000 0.276 201 M C -1.831 174.467 176.300 -0.004 0.000 1.265 201 M CA -1.001 54.325 55.300 0.042 0.000 0.850 201 M CB 2.500 35.132 32.600 0.053 0.000 1.720 201 M HN 0.417 nan 8.290 nan 0.000 0.465 202 D N 1.589 121.966 120.400 -0.038 0.000 2.303 202 D HA 0.619 5.258 4.640 -0.002 0.000 0.236 202 D C -1.290 174.967 176.300 -0.072 0.000 1.068 202 D CA -0.067 53.901 54.000 -0.053 0.000 0.830 202 D CB 2.119 42.884 40.800 -0.058 0.000 1.109 202 D HN 0.189 nan 8.370 nan 0.000 0.496 203 V N 3.249 123.116 119.914 -0.078 0.000 2.789 203 V HA 0.459 4.578 4.120 -0.002 0.000 0.311 203 V C 0.037 176.071 176.094 -0.100 0.000 1.073 203 V CA -0.797 61.438 62.300 -0.108 0.000 0.921 203 V CB 2.284 34.032 31.823 -0.124 0.000 1.009 203 V HN 0.387 nan 8.190 nan 0.000 0.426 204 I N 3.928 124.428 120.570 -0.116 0.000 2.328 204 I HA 0.332 4.501 4.170 -0.002 0.000 0.287 204 I C 0.905 176.989 176.117 -0.055 0.000 1.012 204 I CA -0.238 61.016 61.300 -0.077 0.000 1.195 204 I CB 1.871 39.820 38.000 -0.084 0.000 1.350 204 I HN 0.820 nan 8.210 nan 0.000 0.464 205 T N 1.744 116.297 114.554 -0.002 0.000 2.726 205 T HA 0.145 4.494 4.350 -0.002 0.000 0.294 205 T C 1.481 176.203 174.700 0.036 0.000 1.013 205 T CA -0.074 62.057 62.100 0.051 0.000 0.996 205 T CB 1.274 70.260 68.868 0.196 0.000 1.016 205 T HN 0.705 nan 8.240 nan 0.000 0.529 206 G N -0.937 107.859 108.800 -0.007 0.000 2.535 206 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.218 206 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.218 206 G C 1.324 176.116 174.900 -0.180 0.000 1.122 206 G CA 0.251 45.283 45.100 -0.113 0.000 0.769 206 G HN 0.901 nan 8.290 nan 0.000 0.549 207 H N -0.048 119.021 119.070 -0.001 0.000 2.548 207 H HA 0.136 4.690 4.556 -0.002 0.000 0.268 207 H C 2.234 177.533 175.328 -0.047 0.000 0.975 207 H CA 0.712 56.741 56.048 -0.032 0.000 1.195 207 H CB 0.358 30.116 29.762 -0.008 0.000 1.397 207 H HN 0.425 nan 8.280 nan 0.000 0.572 208 G N 1.265 110.101 108.800 0.059 0.000 2.131 208 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.223 208 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.223 208 G C 0.120 175.034 174.900 0.023 0.000 0.990 208 G CA 0.284 45.391 45.100 0.011 0.000 0.671 208 G HN 0.486 nan 8.290 nan 0.000 0.521 209 E N -0.017 120.216 120.200 0.056 0.000 2.197 209 E HA 0.590 4.939 4.350 -0.002 0.000 0.281 209 E C 0.444 177.052 176.600 0.014 0.000 0.995 209 E CA -1.038 55.383 56.400 0.036 0.000 0.808 209 E CB 0.472 30.206 29.700 0.057 0.000 1.093 209 E HN 0.203 nan 8.360 nan 0.000 0.394 210 M N 5.491 125.088 119.600 -0.005 0.000 2.156 210 M HA 0.198 4.677 4.480 -0.002 0.000 0.345 210 M C -1.889 174.399 176.300 -0.020 0.000 1.398 210 M CA -0.253 55.034 55.300 -0.021 0.000 1.148 210 M CB 0.620 33.206 32.600 -0.024 0.000 1.663 210 M HN 0.222 nan 8.290 nan 0.000 0.464 211 V N 4.778 124.674 119.914 -0.030 0.000 2.588 211 V HA 0.509 4.628 4.120 -0.002 0.000 0.304 211 V C -0.032 176.037 176.094 -0.042 0.000 1.042 211 V CA -0.763 61.519 62.300 -0.030 0.000 0.877 211 V CB 2.084 33.891 31.823 -0.026 0.000 0.996 211 V HN 0.825 nan 8.190 nan 0.000 0.425 212 T N 4.396 118.927 114.554 -0.038 0.000 2.806 212 T HA 0.537 4.885 4.350 -0.002 0.000 0.290 212 T C -0.152 174.522 174.700 -0.044 0.000 0.966 212 T CA -0.237 61.837 62.100 -0.043 0.000 1.060 212 T CB 0.540 69.377 68.868 -0.051 0.000 0.927 212 T HN 1.016 nan 8.240 nan 0.000 0.485 213 C N 1.681 120.966 119.300 -0.025 0.000 2.994 213 C HA 1.012 5.470 4.460 -0.002 0.000 0.304 213 C C -0.024 174.881 174.990 -0.141 0.000 1.273 213 C CA -0.889 58.113 59.018 -0.027 0.000 1.537 213 C CB 1.019 28.797 27.740 0.064 0.000 2.001 213 C HN 1.021 nan 8.230 nan 0.000 0.471 214 S N 0.069 115.501 115.700 -0.447 0.000 2.671 214 S HA 0.460 4.928 4.470 -0.002 0.000 0.270 214 S C 0.036 174.054 174.600 -0.970 0.000 1.166 214 S CA -0.602 56.879 58.200 -1.199 0.000 0.868 214 S CB 0.695 63.505 63.200 -0.649 0.000 1.190 214 S HN 0.733 nan 8.310 nan 0.000 0.494 215 K N 0.199 120.086 120.400 -0.854 0.000 2.211 215 K HA 0.079 4.398 4.320 -0.002 0.000 0.203 215 K C 1.699 178.171 176.600 -0.213 0.000 1.050 215 K CA 1.459 57.529 56.287 -0.362 0.000 0.945 215 K CB -0.468 31.902 32.500 -0.216 0.000 0.732 215 K HN 0.501 nan 8.250 nan 0.000 0.451 216 Q N -0.339 119.323 119.800 -0.231 0.000 2.259 216 Q HA 0.097 4.436 4.340 -0.002 0.000 0.201 216 Q C 0.129 176.056 176.000 -0.122 0.000 0.938 216 Q CA 0.363 56.080 55.803 -0.143 0.000 0.872 216 Q CB 0.270 28.930 28.738 -0.130 0.000 0.971 216 Q HN 0.067 nan 8.270 nan 0.000 0.494 217 L N 0.864 121.995 121.223 -0.153 0.000 2.325 217 L HA 0.362 4.700 4.340 -0.002 0.000 0.281 217 L C -1.014 175.804 176.870 -0.087 0.000 1.004 217 L CA -0.091 54.686 54.840 -0.105 0.000 0.823 217 L CB 0.881 42.880 42.059 -0.101 0.000 1.236 217 L HN 0.318 nan 8.230 nan 0.000 0.415 218 N N 3.160 121.836 118.700 -0.040 0.000 2.705 218 N HA -0.261 4.478 4.740 -0.002 0.000 0.255 218 N C 1.091 176.608 175.510 0.013 0.000 1.008 218 N CA 0.649 53.698 53.050 -0.001 0.000 0.742 218 N CB -0.476 38.011 38.487 -0.001 0.000 0.906 218 N HN 0.822 nan 8.380 nan 0.000 0.541 219 A N 0.635 123.456 122.820 0.002 0.000 1.972 219 A HA -0.248 4.071 4.320 -0.002 0.000 0.219 219 A C 2.068 179.710 177.584 0.097 0.000 1.169 219 A CA 1.839 53.903 52.037 0.044 0.000 0.635 219 A CB -0.196 18.809 19.000 0.008 0.000 0.810 219 A HN 0.708 nan 8.150 nan 0.000 0.446 220 D N 0.083 120.518 120.400 0.059 0.000 2.144 220 D HA -0.168 4.471 4.640 -0.002 0.000 0.200 220 D C 1.791 178.088 176.300 -0.006 0.000 0.978 220 D CA 1.452 55.477 54.000 0.043 0.000 0.833 220 D CB -0.630 40.207 40.800 0.062 0.000 0.961 220 D HN 0.379 nan 8.370 nan 0.000 0.470 221 L N -0.458 120.742 121.223 -0.038 0.000 2.072 221 L HA 0.047 4.386 4.340 -0.002 0.000 0.205 221 L C 2.299 179.074 176.870 -0.159 0.000 1.079 221 L CA 1.028 55.681 54.840 -0.312 0.000 0.752 221 L CB -0.903 40.866 42.059 -0.483 0.000 0.906 221 L HN -0.055 nan 8.230 nan 0.000 0.436 222 F N 0.764 120.617 119.950 -0.161 0.000 2.069 222 F HA -0.272 4.254 4.527 -0.002 0.000 0.298 222 F C 2.200 177.959 175.800 -0.067 0.000 1.113 222 F CA 2.243 60.182 58.000 -0.102 0.000 1.214 222 F CB -0.445 38.511 39.000 -0.073 0.000 0.978 222 F HN 0.212 nan 8.300 nan 0.000 0.474 223 D N 0.314 120.728 120.400 0.024 0.000 2.117 223 D HA -0.137 4.502 4.640 -0.002 0.000 0.198 223 D C 2.386 178.634 176.300 -0.085 0.000 0.982 223 D CA 1.449 55.424 54.000 -0.042 0.000 0.828 223 D CB -0.737 40.097 40.800 0.056 0.000 0.967 223 D HN 0.391 nan 8.370 nan 0.000 0.464 224 A N 0.747 123.459 122.820 -0.180 0.000 1.877 224 A HA -0.146 4.172 4.320 -0.002 0.000 0.216 224 A C 2.555 180.094 177.584 -0.075 0.000 1.186 224 A CA 1.326 53.155 52.037 -0.347 0.000 0.620 224 A CB -0.776 17.653 19.000 -0.952 0.000 0.822 224 A HN 0.148 nan 8.150 nan 0.000 0.443 225 V N 0.310 120.182 119.914 -0.070 0.000 2.358 225 V HA -0.116 4.003 4.120 -0.002 0.000 0.246 225 V C 1.203 177.350 176.094 0.088 0.000 1.047 225 V CA 0.843 63.197 62.300 0.090 0.000 1.035 225 V CB -0.859 30.943 31.823 -0.035 0.000 0.658 225 V HN 0.472 nan 8.190 nan 0.000 0.452 226 L N 1.453 122.647 121.223 -0.047 0.000 2.530 226 L HA 0.368 4.707 4.340 -0.002 0.000 0.273 226 L C 1.366 178.331 176.870 0.158 0.000 1.141 226 L CA 0.809 55.636 54.840 -0.023 0.000 0.905 226 L CB -0.461 41.478 42.059 -0.200 0.000 1.202 226 L HN 0.456 nan 8.230 nan 0.000 0.473 227 G N 2.550 111.494 108.800 0.241 0.000 2.143 227 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.249 227 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.249 227 G C 0.867 176.056 174.900 0.482 0.000 0.981 227 G CA 0.161 45.486 45.100 0.375 0.000 0.665 227 G HN 0.871 nan 8.290 nan 0.000 0.528 228 G N 0.032 109.099 108.800 0.444 0.000 2.848 228 G HA2 0.347 4.306 3.960 -0.002 0.000 0.208 228 G HA3 0.347 4.306 3.960 -0.002 0.000 0.208 228 G C 1.146 176.318 174.900 0.453 0.000 1.152 228 G CA 0.590 46.051 45.100 0.601 0.000 0.789 228 G HN 1.476 nan 8.290 nan 0.000 0.531 229 L N -0.967 120.468 121.223 0.353 0.000 3.737 229 L HA -0.231 4.108 4.340 -0.002 0.000 0.418 229 L C 1.570 178.537 176.870 0.162 0.000 1.216 229 L CA 0.170 55.162 54.840 0.253 0.000 0.915 229 L CB -2.022 40.197 42.059 0.266 0.000 1.834 229 L HN 0.549 nan 8.230 nan 0.000 0.943 230 G N -0.679 108.220 108.800 0.165 0.000 2.283 230 G HA2 -0.320 3.638 3.960 -0.002 0.000 0.280 230 G HA3 -0.320 3.638 3.960 -0.002 0.000 0.280 230 G C 0.811 175.737 174.900 0.043 0.000 1.029 230 G CA 0.743 45.946 45.100 0.171 0.000 0.840 230 G HN 0.559 nan 8.290 nan 0.000 0.505 231 Q N -1.546 118.125 119.800 -0.216 0.000 2.402 231 Q HA 0.231 4.569 4.340 -0.002 0.000 0.206 231 Q C 1.818 177.365 176.000 -0.755 0.000 0.919 231 Q CA 0.851 56.315 55.803 -0.567 0.000 0.923 231 Q CB 0.077 28.269 28.738 -0.911 0.000 1.048 231 Q HN 0.705 nan 8.270 nan 0.000 0.515 232 F N -0.653 119.282 119.950 -0.026 0.000 2.720 232 F HA 0.466 4.992 4.527 -0.002 0.000 0.301 232 F C 1.159 176.931 175.800 -0.048 0.000 1.103 232 F CA 0.269 58.232 58.000 -0.062 0.000 1.291 232 F CB 0.915 39.834 39.000 -0.135 0.000 1.086 232 F HN -0.043 nan 8.300 nan 0.000 0.592 233 G N -0.300 108.567 108.800 0.111 0.000 2.320 233 G HA2 0.341 4.300 3.960 -0.002 0.000 0.297 233 G HA3 0.341 4.300 3.960 -0.002 0.000 0.297 233 G C -2.174 172.636 174.900 -0.149 0.000 1.344 233 G CA -0.650 44.465 45.100 0.024 0.000 0.851 233 G HN -0.066 nan 8.290 nan 0.000 0.567 234 V N 0.776 120.414 119.914 -0.461 0.000 2.427 234 V HA 0.686 4.804 4.120 -0.002 0.000 0.286 234 V C 0.230 176.086 176.094 -0.397 0.000 1.034 234 V CA -0.962 60.848 62.300 -0.818 0.000 0.893 234 V CB 0.919 31.833 31.823 -1.515 0.000 0.982 234 V HN 0.623 nan 8.190 nan 0.000 0.452 235 I N 6.780 127.180 120.570 -0.283 0.000 2.379 235 I HA 0.198 4.367 4.170 -0.002 0.000 0.290 235 I C 1.488 177.506 176.117 -0.165 0.000 1.063 235 I CA 0.306 61.505 61.300 -0.168 0.000 1.351 235 I CB 1.417 39.355 38.000 -0.103 0.000 1.410 235 I HN 0.870 nan 8.210 nan 0.000 0.505 236 T N 2.785 117.256 114.554 -0.139 0.000 3.037 236 T HA 0.159 4.508 4.350 -0.002 0.000 0.251 236 T C 0.711 175.355 174.700 -0.093 0.000 1.079 236 T CA -0.099 61.932 62.100 -0.115 0.000 1.067 236 T CB 0.286 69.094 68.868 -0.100 0.000 0.948 236 T HN 0.586 nan 8.240 nan 0.000 0.496 237 R N 0.104 120.551 120.500 -0.088 0.000 2.566 237 R HA 0.644 4.982 4.340 -0.002 0.000 0.271 237 R C -2.286 173.969 176.300 -0.076 0.000 1.071 237 R CA -0.548 55.502 56.100 -0.082 0.000 0.915 237 R CB 1.785 32.044 30.300 -0.068 0.000 1.228 237 R HN 0.222 nan 8.270 nan 0.000 0.449 238 A N 3.710 126.477 122.820 -0.088 0.000 2.359 238 A HA 0.526 4.845 4.320 -0.002 0.000 0.303 238 A C -1.109 176.428 177.584 -0.077 0.000 1.066 238 A CA -0.754 51.242 52.037 -0.069 0.000 0.730 238 A CB 1.476 20.431 19.000 -0.076 0.000 1.211 238 A HN 0.733 nan 8.150 nan 0.000 0.439 239 R N 2.637 123.091 120.500 -0.076 0.000 2.205 239 R HA 0.554 4.893 4.340 -0.002 0.000 0.342 239 R C -1.130 175.132 176.300 -0.063 0.000 1.058 239 R CA -0.021 56.001 56.100 -0.130 0.000 0.904 239 R CB -0.173 29.951 30.300 -0.294 0.000 1.089 239 R HN 0.645 nan 8.270 nan 0.000 0.471 240 I N 3.702 124.266 120.570 -0.010 0.000 2.359 240 I HA 0.358 4.527 4.170 -0.002 0.000 0.294 240 I C 0.457 176.610 176.117 0.061 0.000 0.987 240 I CA -0.826 60.490 61.300 0.026 0.000 1.225 240 I CB 1.888 39.905 38.000 0.028 0.000 1.366 240 I HN 0.678 nan 8.210 nan 0.000 0.466 241 A N 6.389 129.226 122.820 0.028 0.000 2.445 241 A HA 0.572 4.891 4.320 -0.002 0.000 0.242 241 A C -0.041 177.534 177.584 -0.014 0.000 1.075 241 A CA -0.234 51.821 52.037 0.029 0.000 0.777 241 A CB 0.422 19.414 19.000 -0.013 0.000 1.013 241 A HN 0.672 nan 8.150 nan 0.000 0.493 242 V N -0.234 119.681 119.914 0.002 0.000 3.158 242 V HA 0.958 5.077 4.120 -0.002 0.000 0.311 242 V C -0.671 175.403 176.094 -0.033 0.000 1.181 242 V CA -0.514 61.773 62.300 -0.021 0.000 1.054 242 V CB 1.713 33.544 31.823 0.014 0.000 1.085 242 V HN 1.161 nan 8.190 nan 0.000 0.446 243 E N 0.042 120.229 120.200 -0.023 0.000 2.429 243 E HA 0.648 4.997 4.350 -0.002 0.000 0.276 243 E C -3.243 173.353 176.600 -0.007 0.000 0.953 243 E CA -2.449 53.936 56.400 -0.025 0.000 0.787 243 E CB 2.074 31.742 29.700 -0.052 0.000 1.307 243 E HN 0.463 nan 8.360 nan 0.000 0.458 244 P HA 0.042 nan 4.420 nan 0.000 0.264 244 P C -0.808 176.476 177.300 -0.028 0.000 1.193 244 P CA 0.270 63.361 63.100 -0.016 0.000 0.763 244 P CB 0.596 32.284 31.700 -0.020 0.000 0.810 245 A N 6.441 129.256 122.820 -0.008 0.000 2.491 245 A HA 0.314 4.633 4.320 -0.002 0.000 0.261 245 A C -1.655 175.855 177.584 -0.124 0.000 1.101 245 A CA -0.844 51.183 52.037 -0.017 0.000 0.772 245 A CB -0.927 18.115 19.000 0.070 0.000 1.043 245 A HN 0.407 nan 8.150 nan 0.000 0.501 246 P HA 0.330 nan 4.420 nan 0.000 0.274 246 P C 0.509 177.641 177.300 -0.280 0.000 1.246 246 P CA 0.158 63.039 63.100 -0.365 0.000 0.795 246 P CB 1.480 32.823 31.700 -0.594 0.000 1.006 247 A N 2.326 125.000 122.820 -0.244 0.000 1.956 247 A HA 0.129 4.447 4.320 -0.002 0.000 0.212 247 A C 1.101 178.556 177.584 -0.216 0.000 1.188 247 A CA 0.745 52.679 52.037 -0.172 0.000 0.675 247 A CB -0.015 18.895 19.000 -0.149 0.000 0.845 247 A HN 0.542 nan 8.150 nan 0.000 0.455 248 R N -2.268 117.950 120.500 -0.469 0.000 2.817 248 R HA 0.704 5.042 4.340 -0.002 0.000 0.268 248 R C -1.412 174.609 176.300 -0.465 0.000 1.027 248 R CA -0.287 55.524 56.100 -0.483 0.000 0.928 248 R CB 2.001 31.884 30.300 -0.695 0.000 1.228 248 R HN 0.224 nan 8.270 nan 0.000 0.469 249 A N 1.499 124.210 122.820 -0.182 0.000 2.353 249 A HA 0.491 4.810 4.320 -0.002 0.000 0.299 249 A C -1.016 176.636 177.584 0.114 0.000 1.089 249 A CA -0.652 51.333 52.037 -0.087 0.000 0.736 249 A CB 1.324 20.153 19.000 -0.285 0.000 1.195 249 A HN 0.535 nan 8.150 nan 0.000 0.447 250 R N 2.326 122.979 120.500 0.255 0.000 2.248 250 R HA 0.279 4.618 4.340 -0.002 0.000 0.328 250 R C -1.224 175.219 176.300 0.238 0.000 1.067 250 R CA -0.404 55.858 56.100 0.271 0.000 0.924 250 R CB 0.081 30.503 30.300 0.203 0.000 1.013 250 R HN 0.670 nan 8.270 nan 0.000 0.454 251 W N 6.669 128.013 121.300 0.074 0.000 2.349 251 W HA 0.519 5.178 4.660 -0.002 0.000 0.309 251 W C -1.342 175.340 176.519 0.271 0.000 1.083 251 W CA -1.076 56.335 57.345 0.111 0.000 1.224 251 W CB 0.972 30.551 29.460 0.198 0.000 1.256 251 W HN 0.326 nan 8.180 nan 0.000 0.461 252 V N 7.732 127.957 119.914 0.519 0.000 2.914 252 V HA 0.673 4.792 4.120 -0.002 0.000 0.314 252 V C -1.027 175.151 176.094 0.140 0.000 1.084 252 V CA -1.053 61.450 62.300 0.338 0.000 0.963 252 V CB 2.345 34.297 31.823 0.215 0.000 1.025 252 V HN 0.487 nan 8.190 nan 0.000 0.432 253 R N 4.583 125.144 120.500 0.101 0.000 2.575 253 R HA 0.652 4.991 4.340 -0.002 0.000 0.293 253 R C -1.951 174.525 176.300 0.294 0.000 0.983 253 R CA -0.780 55.340 56.100 0.035 0.000 0.887 253 R CB 1.851 31.918 30.300 -0.390 0.000 1.184 253 R HN 0.425 nan 8.270 nan 0.000 0.445 254 L N 3.381 124.763 121.223 0.266 0.000 2.346 254 L HA 0.533 4.871 4.340 -0.002 0.000 0.276 254 L C -0.270 176.837 176.870 0.396 0.000 1.006 254 L CA -0.945 54.003 54.840 0.181 0.000 0.817 254 L CB 1.801 43.871 42.059 0.018 0.000 1.272 254 L HN 0.314 nan 8.230 nan 0.000 0.421 255 V N 3.526 123.637 119.914 0.329 0.000 2.547 255 V HA 0.550 4.669 4.120 -0.002 0.000 0.299 255 V C -0.796 175.329 176.094 0.051 0.000 1.040 255 V CA -0.689 61.790 62.300 0.298 0.000 0.913 255 V CB 1.540 33.509 31.823 0.243 0.000 0.992 255 V HN 0.570 nan 8.190 nan 0.000 0.449 256 Y N 0.902 121.333 120.300 0.217 0.000 2.581 256 Y HA 0.501 5.050 4.550 -0.002 0.000 0.345 256 Y C 0.940 176.947 175.900 0.178 0.000 1.036 256 Y CA -0.678 57.552 58.100 0.216 0.000 1.042 256 Y CB 2.575 41.231 38.460 0.328 0.000 1.289 256 Y HN 0.643 nan 8.280 nan 0.000 0.471 257 T N -4.082 110.661 114.554 0.314 0.000 3.004 257 T HA 0.133 4.481 4.350 -0.002 0.000 0.266 257 T C -0.454 174.462 174.700 0.359 0.000 0.986 257 T CA -0.050 62.192 62.100 0.236 0.000 0.902 257 T CB 0.141 69.052 68.868 0.072 0.000 1.118 257 T HN 0.449 nan 8.240 nan 0.000 0.522 258 D N 0.609 121.237 120.400 0.380 0.000 2.414 258 D HA 0.345 4.984 4.640 -0.002 0.000 0.232 258 D C 0.456 176.881 176.300 0.208 0.000 1.070 258 D CA -1.238 52.939 54.000 0.296 0.000 0.839 258 D CB 0.731 41.663 40.800 0.220 0.000 1.079 258 D HN -0.004 nan 8.370 nan 0.000 0.521 259 F N 4.322 124.228 119.950 -0.074 0.000 2.161 259 F HA -0.117 4.408 4.527 -0.002 0.000 0.300 259 F C 1.952 177.682 175.800 -0.117 0.000 1.089 259 F CA 1.806 59.549 58.000 -0.429 0.000 1.282 259 F CB -0.074 38.669 39.000 -0.428 0.000 1.010 259 F HN 0.488 nan 8.300 nan 0.000 0.485 260 A N 0.380 123.189 122.820 -0.018 0.000 1.883 260 A HA -0.113 4.206 4.320 -0.002 0.000 0.217 260 A C 2.441 179.938 177.584 -0.144 0.000 1.186 260 A CA 2.029 54.022 52.037 -0.074 0.000 0.624 260 A CB -1.597 17.433 19.000 0.050 0.000 0.822 260 A HN 0.495 nan 8.150 nan 0.000 0.444 261 A N -1.193 121.609 122.820 -0.031 0.000 1.898 261 A HA 0.021 4.340 4.320 -0.002 0.000 0.216 261 A C 2.034 179.486 177.584 -0.219 0.000 1.181 261 A CA 1.576 53.632 52.037 0.030 0.000 0.620 261 A CB -0.725 18.442 19.000 0.278 0.000 0.819 261 A HN 0.755 nan 8.150 nan 0.000 0.442 262 F N 2.376 121.939 119.950 -0.646 0.000 2.046 262 F HA -0.250 4.276 4.527 -0.002 0.000 0.297 262 F C 2.714 178.071 175.800 -0.738 0.000 1.123 262 F CA 2.375 59.702 58.000 -1.122 0.000 1.199 262 F CB -0.677 37.783 39.000 -0.900 0.000 0.972 262 F HN 0.298 nan 8.300 nan 0.000 0.474 263 S N 0.765 115.860 115.700 -1.009 0.000 2.402 263 S HA -0.074 4.395 4.470 -0.002 0.000 0.229 263 S C 2.257 176.590 174.600 -0.445 0.000 1.021 263 S CA 0.756 58.453 58.200 -0.839 0.000 0.974 263 S CB -1.319 61.402 63.200 -0.798 0.000 0.800 263 S HN 0.531 nan 8.310 nan 0.000 0.484 264 A N 2.342 124.959 122.820 -0.339 0.000 1.902 264 A HA -0.111 4.207 4.320 -0.002 0.000 0.217 264 A C 1.955 179.434 177.584 -0.174 0.000 1.181 264 A CA 1.742 53.671 52.037 -0.181 0.000 0.623 264 A CB -0.884 18.054 19.000 -0.104 0.000 0.818 264 A HN 0.469 nan 8.150 nan 0.000 0.443 265 D N -0.594 119.679 120.400 -0.212 0.000 2.178 265 D HA -0.100 4.538 4.640 -0.002 0.000 0.202 265 D C 2.213 178.389 176.300 -0.207 0.000 0.974 265 D CA 1.096 55.021 54.000 -0.126 0.000 0.841 265 D CB -0.315 40.496 40.800 0.019 0.000 0.953 265 D HN 0.595 nan 8.370 nan 0.000 0.478 266 Q N 0.260 119.834 119.800 -0.377 0.000 2.079 266 Q HA -0.119 4.220 4.340 -0.002 0.000 0.200 266 Q C 1.943 177.747 176.000 -0.325 0.000 0.974 266 Q CA 0.897 56.469 55.803 -0.385 0.000 0.840 266 Q CB -0.011 28.422 28.738 -0.508 0.000 0.898 266 Q HN 0.413 nan 8.270 nan 0.000 0.430 267 E N 0.333 120.376 120.200 -0.261 0.000 2.150 267 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 267 E C 2.009 178.521 176.600 -0.146 0.000 0.985 267 E CA 0.479 56.761 56.400 -0.197 0.000 0.814 267 E CB 0.012 29.641 29.700 -0.119 0.000 0.752 267 E HN 0.168 nan 8.360 nan 0.000 0.466 268 R N 0.701 121.127 120.500 -0.123 0.000 2.075 268 R HA -0.083 4.255 4.340 -0.002 0.000 0.232 268 R C 2.214 178.467 176.300 -0.078 0.000 1.126 268 R CA 0.915 56.973 56.100 -0.071 0.000 0.963 268 R CB -0.099 30.178 30.300 -0.039 0.000 0.858 268 R HN 0.168 nan 8.270 nan 0.000 0.435 269 L N 0.056 121.199 121.223 -0.134 0.000 2.275 269 L HA -0.070 4.269 4.340 -0.002 0.000 0.215 269 L C 1.811 178.500 176.870 -0.302 0.000 1.119 269 L CA 1.488 56.229 54.840 -0.166 0.000 0.790 269 L CB -0.121 41.822 42.059 -0.192 0.000 0.919 269 L HN 0.380 nan 8.230 nan 0.000 0.443 270 T N -3.972 110.354 114.554 -0.380 0.000 3.044 270 T HA 0.418 4.766 4.350 -0.002 0.000 0.260 270 T C 0.669 175.404 174.700 0.058 0.000 1.019 270 T CA -0.018 61.788 62.100 -0.490 0.000 0.921 270 T CB 0.183 68.564 68.868 -0.811 0.000 1.053 270 T HN 0.117 nan 8.240 nan 0.000 0.533 271 A N 2.857 125.710 122.820 0.055 0.000 2.462 271 A HA 0.565 4.884 4.320 -0.002 0.000 0.243 271 A C -2.451 175.254 177.584 0.202 0.000 1.076 271 A CA -1.231 50.872 52.037 0.111 0.000 0.773 271 A CB -0.244 18.772 19.000 0.027 0.000 1.010 271 A HN 0.266 nan 8.150 nan 0.000 0.493 272 P HA 0.184 nan 4.420 nan 0.000 0.271 272 P C 0.026 177.221 177.300 -0.174 0.000 1.216 272 P CA -0.113 62.880 63.100 -0.178 0.000 0.771 272 P CB 0.521 32.139 31.700 -0.137 0.000 0.864 281 F N 1.787 121.733 119.950 -0.006 0.000 2.620 281 F HA 0.758 5.284 4.527 -0.002 0.000 0.320 281 F C 1.358 177.197 175.800 0.066 0.000 1.069 281 F CA -0.057 57.973 58.000 0.049 0.000 0.953 281 F CB 1.108 40.143 39.000 0.058 0.000 1.322 281 F HN 0.738 nan 8.300 nan 0.000 0.479 282 G N 0.707 109.688 108.800 0.300 0.000 2.504 282 G HA2 0.178 4.136 3.960 -0.002 0.000 0.291 282 G HA3 0.178 4.136 3.960 -0.002 0.000 0.291 282 G C -1.912 173.093 174.900 0.176 0.000 1.345 282 G CA -0.436 44.773 45.100 0.182 0.000 1.090 282 G HN 0.476 nan 8.290 nan 0.000 0.591 283 P HA 0.025 nan 4.420 nan 0.000 0.217 283 P C 0.916 178.299 177.300 0.139 0.000 1.154 283 P CA 0.614 63.782 63.100 0.112 0.000 0.841 283 P CB 0.076 31.825 31.700 0.081 0.000 0.788 284 M N 0.204 119.901 119.600 0.162 0.000 2.255 284 M HA -0.028 4.451 4.480 -0.002 0.000 0.356 284 M C 1.130 177.595 176.300 0.274 0.000 1.338 284 M CA 0.933 56.348 55.300 0.191 0.000 0.962 284 M CB -0.659 32.028 32.600 0.145 0.000 1.877 284 M HN -0.097 nan 8.290 nan 0.000 0.463 285 S N 2.309 118.134 115.700 0.209 0.000 2.501 285 S HA 0.083 4.552 4.470 -0.002 0.000 0.220 285 S C -0.045 174.746 174.600 0.318 0.000 0.997 285 S CA 0.197 58.513 58.200 0.194 0.000 0.919 285 S CB 0.083 63.352 63.200 0.117 0.000 0.778 285 S HN 0.712 nan 8.310 nan 0.000 0.523 286 Y N 0.261 120.665 120.300 0.174 0.000 2.482 286 Y HA 0.531 5.080 4.550 -0.002 0.000 0.334 286 Y C -2.074 173.880 175.900 0.090 0.000 1.091 286 Y CA -0.882 57.319 58.100 0.167 0.000 1.027 286 Y CB 1.263 39.753 38.460 0.049 0.000 1.306 286 Y HN -0.211 nan 8.280 nan 0.000 0.446 287 V N 6.165 125.871 119.914 -0.347 0.000 2.610 287 V HA 0.450 4.568 4.120 -0.002 0.000 0.298 287 V C -0.839 174.849 176.094 -0.677 0.000 1.067 287 V CA -0.615 61.439 62.300 -0.411 0.000 0.894 287 V CB 1.638 33.160 31.823 -0.502 0.000 1.015 287 V HN 0.895 nan 8.190 nan 0.000 0.432 288 E N 1.897 121.811 120.200 -0.476 0.000 2.446 288 E HA 0.867 5.216 4.350 -0.002 0.000 0.267 288 E C -0.364 176.282 176.600 0.075 0.000 0.955 288 E CA -0.881 55.292 56.400 -0.379 0.000 0.842 288 E CB 2.994 32.443 29.700 -0.418 0.000 1.504 288 E HN 0.795 nan 8.360 nan 0.000 0.438 289 G N -0.214 108.749 108.800 0.271 0.000 2.692 289 G HA2 0.544 4.503 3.960 -0.002 0.000 0.291 289 G HA3 0.544 4.503 3.960 -0.002 0.000 0.291 289 G C -1.384 173.679 174.900 0.272 0.000 1.423 289 G CA -0.383 44.969 45.100 0.420 0.000 0.843 289 G HN 0.270 nan 8.290 nan 0.000 0.486 290 S N -1.263 114.512 115.700 0.126 0.000 2.549 290 S HA 0.732 5.200 4.470 -0.002 0.000 0.280 290 S C -0.754 173.545 174.600 -0.501 0.000 1.109 290 S CA -0.592 57.464 58.200 -0.241 0.000 0.905 290 S CB 2.082 65.059 63.200 -0.372 0.000 1.081 290 S HN 0.679 nan 8.310 nan 0.000 0.477 291 V N 2.718 122.193 119.914 -0.731 0.000 2.448 291 V HA 0.573 4.691 4.120 -0.002 0.000 0.295 291 V C -1.475 174.103 176.094 -0.859 0.000 1.025 291 V CA -0.533 61.301 62.300 -0.777 0.000 0.859 291 V CB 0.879 32.108 31.823 -0.991 0.000 0.988 291 V HN 0.804 nan 8.190 nan 0.000 0.431 292 F N 3.867 123.595 119.950 -0.370 0.000 2.460 292 F HA 0.570 5.096 4.527 -0.002 0.000 0.341 292 F C 0.249 175.904 175.800 -0.240 0.000 1.130 292 F CA -0.978 56.881 58.000 -0.235 0.000 0.962 292 F CB 1.905 40.795 39.000 -0.183 0.000 1.171 292 F HN 0.408 nan 8.300 nan 0.000 0.436 293 V N 0.725 120.638 119.914 -0.000 0.000 2.686 293 V HA 0.235 4.354 4.120 -0.002 0.000 0.295 293 V C 1.072 177.167 176.094 0.001 0.000 1.055 293 V CA -0.562 61.728 62.300 -0.018 0.000 1.050 293 V CB 1.127 32.959 31.823 0.015 0.000 0.984 293 V HN 0.850 nan 8.190 nan 0.000 0.482 294 N N 2.409 121.094 118.700 -0.025 0.000 2.137 294 N HA -0.254 4.485 4.740 -0.002 0.000 0.190 294 N C 1.678 177.180 175.510 -0.013 0.000 1.017 294 N CA 2.087 55.121 53.050 -0.027 0.000 0.859 294 N CB -0.261 38.208 38.487 -0.031 0.000 1.002 294 N HN 0.947 nan 8.380 nan 0.000 0.428 295 Q N 0.188 119.987 119.800 -0.002 0.000 2.112 295 Q HA -0.091 4.247 4.340 -0.002 0.000 0.206 295 Q C 0.882 176.887 176.000 0.009 0.000 0.987 295 Q CA 2.072 57.877 55.803 0.003 0.000 0.858 295 Q CB -0.360 28.383 28.738 0.008 0.000 0.905 295 Q HN 0.498 nan 8.270 nan 0.000 0.420 296 S N -1.420 114.293 115.700 0.022 0.000 2.711 296 S HA 0.185 4.654 4.470 -0.002 0.000 0.247 296 S C 1.009 175.625 174.600 0.027 0.000 1.079 296 S CA -0.294 57.924 58.200 0.030 0.000 1.050 296 S CB 0.167 63.399 63.200 0.053 0.000 0.885 296 S HN 0.277 nan 8.310 nan 0.000 0.498 297 L N 2.527 123.748 121.223 -0.003 0.000 1.971 297 L HA -0.015 4.323 4.340 -0.002 0.000 0.215 297 L C 2.625 179.433 176.870 -0.103 0.000 1.072 297 L CA 2.501 57.308 54.840 -0.054 0.000 0.758 297 L CB -1.282 40.724 42.059 -0.087 0.000 0.889 297 L HN 0.457 nan 8.230 nan 0.000 0.433 298 A N -1.901 120.870 122.820 -0.080 0.000 1.883 298 A HA -0.252 4.067 4.320 -0.002 0.000 0.217 298 A C 2.273 179.826 177.584 -0.051 0.000 1.186 298 A CA 2.615 54.603 52.037 -0.082 0.000 0.624 298 A CB -1.315 17.654 19.000 -0.052 0.000 0.822 298 A HN 0.562 nan 8.150 nan 0.000 0.444 299 T N 0.105 114.652 114.554 -0.012 0.000 2.737 299 T HA -0.109 4.240 4.350 -0.002 0.000 0.265 299 T C 1.499 176.227 174.700 0.046 0.000 1.038 299 T CA 1.451 63.563 62.100 0.020 0.000 1.144 299 T CB -0.408 68.481 68.868 0.035 0.000 0.866 299 T HN 0.476 nan 8.240 nan 0.000 0.434 300 D N 1.122 121.561 120.400 0.065 0.000 2.144 300 D HA 0.012 4.651 4.640 -0.002 0.000 0.200 300 D C 2.141 178.506 176.300 0.108 0.000 0.978 300 D CA 0.655 54.749 54.000 0.157 0.000 0.833 300 D CB -0.288 40.693 40.800 0.303 0.000 0.961 300 D HN 0.321 nan 8.370 nan 0.000 0.470 301 L N 0.691 121.843 121.223 -0.118 0.000 2.056 301 L HA -0.102 4.237 4.340 -0.002 0.000 0.207 301 L C 2.564 179.470 176.870 0.061 0.000 1.078 301 L CA 1.046 55.768 54.840 -0.198 0.000 0.749 301 L CB -0.398 41.408 42.059 -0.421 0.000 0.901 301 L HN -0.031 nan 8.230 nan 0.000 0.433 302 A N 0.085 122.919 122.820 0.023 0.000 1.933 302 A HA -0.172 4.147 4.320 -0.002 0.000 0.218 302 A C 1.786 179.420 177.584 0.084 0.000 1.175 302 A CA 1.619 53.688 52.037 0.054 0.000 0.628 302 A CB -0.492 18.522 19.000 0.024 0.000 0.814 302 A HN 0.427 nan 8.150 nan 0.000 0.444 303 N N 0.072 118.831 118.700 0.099 0.000 2.515 303 N HA -0.053 4.686 4.740 -0.002 0.000 0.191 303 N C 1.467 177.065 175.510 0.147 0.000 1.182 303 N CA 1.278 54.398 53.050 0.116 0.000 0.879 303 N CB -0.344 38.216 38.487 0.122 0.000 0.984 303 N HN 0.731 nan 8.380 nan 0.000 0.453 304 T N -3.683 110.973 114.554 0.170 0.000 3.023 304 T HA 0.103 4.452 4.350 -0.002 0.000 0.266 304 T C 1.607 176.380 174.700 0.122 0.000 1.093 304 T CA 0.888 63.095 62.100 0.178 0.000 1.129 304 T CB -0.109 68.870 68.868 0.185 0.000 0.899 304 T HN 0.225 nan 8.240 nan 0.000 0.491 305 G N 0.365 109.216 108.800 0.085 0.000 2.184 305 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.264 305 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.264 305 G C 0.340 175.214 174.900 -0.042 0.000 0.975 305 G CA 0.449 45.572 45.100 0.038 0.000 0.642 305 G HN 0.564 nan 8.290 nan 0.000 0.536 306 F N -0.096 119.687 119.950 -0.278 0.000 2.490 306 F HA 0.592 5.118 4.527 -0.002 0.000 0.280 306 F C 1.003 176.519 175.800 -0.474 0.000 1.030 306 F CA -0.362 57.315 58.000 -0.538 0.000 1.367 306 F CB 0.314 38.820 39.000 -0.822 0.000 1.131 306 F HN -0.015 nan 8.300 nan 0.000 0.632 307 F N 1.491 121.448 119.950 0.010 0.000 2.389 307 F HA 0.305 4.831 4.527 -0.002 0.000 0.337 307 F C 1.017 176.744 175.800 -0.122 0.000 1.112 307 F CA -0.837 57.093 58.000 -0.116 0.000 1.192 307 F CB 0.373 39.261 39.000 -0.187 0.000 1.185 307 F HN -0.129 nan 8.300 nan 0.000 0.552 308 T N -2.068 112.548 114.554 0.102 0.000 2.874 308 T HA 0.168 4.517 4.350 -0.002 0.000 0.281 308 T C 0.825 175.545 174.700 0.034 0.000 0.994 308 T CA -0.813 61.309 62.100 0.037 0.000 1.015 308 T CB 0.951 69.835 68.868 0.026 0.000 1.028 308 T HN 0.543 nan 8.240 nan 0.000 0.523 309 D N 0.618 121.026 120.400 0.013 0.000 2.218 309 D HA -0.080 4.559 4.640 -0.002 0.000 0.204 309 D C 2.202 178.500 176.300 -0.004 0.000 0.976 309 D CA 1.362 55.362 54.000 -0.000 0.000 0.853 309 D CB -0.266 40.533 40.800 -0.001 0.000 0.939 309 D HN 0.738 nan 8.370 nan 0.000 0.481 310 A N 1.414 124.241 122.820 0.011 0.000 1.897 310 A HA -0.163 4.156 4.320 -0.002 0.000 0.215 310 A C 1.847 179.448 177.584 0.028 0.000 1.181 310 A CA 1.306 53.354 52.037 0.018 0.000 0.620 310 A CB -0.173 18.843 19.000 0.026 0.000 0.821 310 A HN 0.008 nan 8.150 nan 0.000 0.443 311 D N 0.009 120.439 120.400 0.050 0.000 2.117 311 D HA -0.117 4.522 4.640 -0.002 0.000 0.197 311 D C 2.084 178.288 176.300 -0.160 0.000 0.987 311 D CA 1.485 55.504 54.000 0.031 0.000 0.829 311 D CB -0.597 40.193 40.800 -0.017 0.000 0.961 311 D HN 0.207 nan 8.370 nan 0.000 0.460 312 V N 1.672 121.485 119.914 -0.168 0.000 2.287 312 V HA -0.271 3.848 4.120 -0.002 0.000 0.248 312 V C 2.592 178.610 176.094 -0.128 0.000 1.053 312 V CA 1.910 64.083 62.300 -0.212 0.000 1.027 312 V CB -0.858 30.888 31.823 -0.129 0.000 0.646 312 V HN 0.198 nan 8.190 nan 0.000 0.447 313 A N -0.212 122.573 122.820 -0.059 0.000 1.902 313 A HA -0.242 4.076 4.320 -0.002 0.000 0.217 313 A C 2.375 179.964 177.584 0.008 0.000 1.181 313 A CA 1.955 53.977 52.037 -0.025 0.000 0.623 313 A CB -0.496 18.500 19.000 -0.008 0.000 0.818 313 A HN 0.523 nan 8.150 nan 0.000 0.443 314 R N -0.632 119.894 120.500 0.043 0.000 2.073 314 R HA -0.035 4.304 4.340 -0.002 0.000 0.234 314 R C 2.024 178.476 176.300 0.253 0.000 1.134 314 R CA 1.649 57.839 56.100 0.149 0.000 0.952 314 R CB -0.478 29.902 30.300 0.134 0.000 0.850 314 R HN 0.578 nan 8.270 nan 0.000 0.433 315 I N 0.224 120.886 120.570 0.154 0.000 2.226 315 I HA -0.244 3.924 4.170 -0.002 0.000 0.245 315 I C 2.217 178.283 176.117 -0.086 0.000 1.100 315 I CA 1.016 62.323 61.300 0.013 0.000 1.374 315 I CB -0.215 37.619 38.000 -0.277 0.000 1.057 315 I HN -0.016 nan 8.210 nan 0.000 0.413 316 V N 1.093 120.953 119.914 -0.090 0.000 2.343 316 V HA -0.303 3.816 4.120 -0.002 0.000 0.247 316 V C 2.715 178.785 176.094 -0.040 0.000 1.051 316 V CA 2.038 64.289 62.300 -0.080 0.000 1.036 316 V CB -0.978 30.802 31.823 -0.071 0.000 0.654 316 V HN 0.499 nan 8.190 nan 0.000 0.451 317 A N -0.158 122.662 122.820 -0.001 0.000 1.898 317 A HA -0.182 4.137 4.320 -0.002 0.000 0.216 317 A C 2.159 179.748 177.584 0.010 0.000 1.181 317 A CA 1.984 54.032 52.037 0.018 0.000 0.620 317 A CB -0.594 18.438 19.000 0.053 0.000 0.819 317 A HN 0.453 nan 8.150 nan 0.000 0.442 318 L N 0.049 121.276 121.223 0.007 0.000 2.013 318 L HA -0.155 4.184 4.340 -0.002 0.000 0.212 318 L C 2.661 179.475 176.870 -0.093 0.000 1.073 318 L CA 2.453 57.244 54.840 -0.082 0.000 0.753 318 L CB -0.906 40.959 42.059 -0.324 0.000 0.890 318 L HN 0.359 nan 8.230 nan 0.000 0.432 319 A N -0.473 122.288 122.820 -0.098 0.000 1.892 319 A HA -0.152 4.166 4.320 -0.002 0.000 0.218 319 A C 2.364 179.921 177.584 -0.045 0.000 1.188 319 A CA 1.895 53.885 52.037 -0.078 0.000 0.631 319 A CB -1.717 17.231 19.000 -0.086 0.000 0.822 319 A HN 0.575 nan 8.150 nan 0.000 0.447 320 G N -0.742 108.038 108.800 -0.035 0.000 2.422 320 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.218 320 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.218 320 G C 1.422 176.315 174.900 -0.012 0.000 1.146 320 G CA 1.014 46.102 45.100 -0.019 0.000 0.769 320 G HN 0.673 nan 8.290 nan 0.000 0.547 321 E N 0.002 120.195 120.200 -0.011 0.000 2.077 321 E HA -0.066 4.282 4.350 -0.002 0.000 0.193 321 E C 2.574 179.172 176.600 -0.004 0.000 0.989 321 E CA 0.576 56.974 56.400 -0.003 0.000 0.800 321 E CB 0.001 29.703 29.700 0.003 0.000 0.746 321 E HN 0.108 nan 8.360 nan 0.000 0.452 322 R N 0.659 121.151 120.500 -0.013 0.000 2.299 322 R HA 0.025 4.364 4.340 -0.002 0.000 0.197 322 R C 0.459 176.762 176.300 0.005 0.000 0.971 322 R CA 0.236 56.335 56.100 -0.002 0.000 1.030 322 R CB -0.813 29.483 30.300 -0.005 0.000 0.932 322 R HN 0.172 nan 8.270 nan 0.000 0.477 323 N N 0.067 118.766 118.700 -0.002 0.000 2.740 323 N HA -0.196 4.543 4.740 -0.002 0.000 0.248 323 N C -1.064 174.449 175.510 0.004 0.000 1.062 323 N CA 0.776 53.827 53.050 0.000 0.000 0.704 323 N CB -0.869 37.622 38.487 0.006 0.000 0.968 323 N HN 0.361 nan 8.380 nan 0.000 0.547 324 A N -0.473 122.346 122.820 -0.002 0.000 2.363 324 A HA 0.523 4.841 4.320 -0.002 0.000 0.270 324 A C 1.529 179.104 177.584 -0.015 0.000 1.121 324 A CA 0.278 52.316 52.037 0.003 0.000 0.800 324 A CB 0.367 19.367 19.000 -0.001 0.000 1.052 324 A HN 0.675 nan 8.150 nan 0.000 0.493 325 T N -1.380 113.170 114.554 -0.007 0.000 3.065 325 T HA 0.244 4.593 4.350 -0.002 0.000 0.252 325 T C 0.603 175.273 174.700 -0.050 0.000 1.099 325 T CA 0.875 62.964 62.100 -0.019 0.000 1.063 325 T CB -0.568 68.297 68.868 -0.004 0.000 0.948 325 T HN 1.163 nan 8.240 nan 0.000 0.506 326 T N -0.951 113.549 114.554 -0.090 0.000 2.916 326 T HA 0.698 5.046 4.350 -0.002 0.000 0.305 326 T C -1.255 173.213 174.700 -0.387 0.000 1.119 326 T CA -0.752 61.196 62.100 -0.254 0.000 1.008 326 T CB 2.098 70.767 68.868 -0.330 0.000 1.129 326 T HN -0.010 nan 8.240 nan 0.000 0.480 327 V N 2.170 121.787 119.914 -0.495 0.000 2.735 327 V HA 0.634 4.753 4.120 -0.002 0.000 0.310 327 V C -1.494 174.260 176.094 -0.567 0.000 1.061 327 V CA -0.930 61.149 62.300 -0.370 0.000 0.913 327 V CB 1.762 33.505 31.823 -0.133 0.000 1.005 327 V HN 0.957 nan 8.190 nan 0.000 0.428 328 Y N 1.407 121.706 120.300 -0.003 0.000 2.485 328 Y HA 0.727 5.275 4.550 -0.002 0.000 0.345 328 Y C 0.314 176.256 175.900 0.070 0.000 0.998 328 Y CA -0.718 57.224 58.100 -0.262 0.000 1.059 328 Y CB 2.277 40.212 38.460 -0.875 0.000 1.234 328 Y HN 0.529 nan 8.280 nan 0.000 0.461 329 S N 3.002 118.850 115.700 0.247 0.000 2.614 329 S HA 0.614 5.083 4.470 -0.002 0.000 0.288 329 S C -1.157 173.764 174.600 0.535 0.000 1.137 329 S CA -0.541 57.955 58.200 0.492 0.000 0.992 329 S CB 0.363 63.905 63.200 0.570 0.000 1.026 329 S HN 0.597 nan 8.310 nan 0.000 0.486 330 I N 3.642 124.575 120.570 0.606 0.000 2.428 330 I HA 0.376 4.545 4.170 -0.002 0.000 0.289 330 I C 0.389 176.683 176.117 0.294 0.000 1.019 330 I CA -0.288 61.281 61.300 0.449 0.000 1.351 330 I CB 1.304 39.518 38.000 0.357 0.000 1.412 330 I HN 0.661 nan 8.210 nan 0.000 0.513 331 E N 5.878 126.222 120.200 0.241 0.000 2.191 331 E HA 0.708 5.057 4.350 -0.002 0.000 0.263 331 E C -1.622 175.174 176.600 0.326 0.000 0.881 331 E CA -0.587 55.968 56.400 0.257 0.000 0.757 331 E CB 1.721 31.612 29.700 0.319 0.000 1.147 331 E HN 0.733 nan 8.360 nan 0.000 0.414 332 A N 2.859 125.873 122.820 0.324 0.000 2.566 332 A HA 0.795 5.114 4.320 -0.002 0.000 0.292 332 A C -0.650 177.078 177.584 0.239 0.000 1.112 332 A CA -0.517 51.706 52.037 0.311 0.000 0.707 332 A CB 1.924 21.023 19.000 0.166 0.000 1.302 332 A HN 0.618 nan 8.150 nan 0.000 0.409 333 T N -1.420 113.212 114.554 0.131 0.000 2.883 333 T HA 0.732 5.080 4.350 -0.002 0.000 0.296 333 T C -1.152 173.561 174.700 0.022 0.000 1.117 333 T CA -0.608 61.461 62.100 -0.052 0.000 1.006 333 T CB 1.286 69.823 68.868 -0.552 0.000 1.191 333 T HN 0.677 nan 8.240 nan 0.000 0.508 334 L N 2.406 123.647 121.223 0.031 0.000 2.415 334 L HA 0.455 4.794 4.340 -0.002 0.000 0.268 334 L C -0.706 176.234 176.870 0.117 0.000 0.984 334 L CA -0.990 53.900 54.840 0.083 0.000 0.853 334 L CB 1.553 43.670 42.059 0.097 0.000 1.215 334 L HN 0.687 nan 8.230 nan 0.000 0.419 335 N N 3.477 122.201 118.700 0.041 0.000 2.530 335 N HA 0.409 5.148 4.740 -0.002 0.000 0.273 335 N C -0.946 174.621 175.510 0.094 0.000 1.173 335 N CA 0.114 53.139 53.050 -0.040 0.000 0.967 335 N CB 1.169 39.537 38.487 -0.198 0.000 1.109 335 N HN 0.442 nan 8.380 nan 0.000 0.453 336 Y N -2.041 118.198 120.300 -0.102 0.000 2.689 336 Y HA 0.501 5.050 4.550 -0.002 0.000 0.333 336 Y C -1.118 174.742 175.900 -0.067 0.000 1.208 336 Y CA -1.360 56.701 58.100 -0.066 0.000 1.055 336 Y CB 0.662 39.103 38.460 -0.032 0.000 1.304 336 Y HN 0.439 nan 8.280 nan 0.000 0.455 337 D N -1.146 119.284 120.400 0.049 0.000 2.588 337 D HA 0.282 4.920 4.640 -0.002 0.000 0.268 337 D C -0.152 176.176 176.300 0.046 0.000 1.176 337 D CA -0.833 53.140 54.000 -0.045 0.000 1.080 337 D CB 0.463 41.254 40.800 -0.016 0.000 1.186 337 D HN 0.525 nan 8.370 nan 0.000 0.619 338 N N -0.585 118.122 118.700 0.011 0.000 2.571 338 N HA 0.056 4.795 4.740 -0.002 0.000 0.189 338 N C 0.130 175.682 175.510 0.069 0.000 1.154 338 N CA 0.310 53.387 53.050 0.044 0.000 0.907 338 N CB -0.437 38.059 38.487 0.014 0.000 0.977 338 N HN 0.578 nan 8.380 nan 0.000 0.449 339 A N 0.898 123.763 122.820 0.075 0.000 2.609 339 A HA -0.014 4.305 4.320 -0.002 0.000 0.232 339 A C 1.768 179.389 177.584 0.062 0.000 1.041 339 A CA 0.651 52.724 52.037 0.059 0.000 0.753 339 A CB 0.086 19.120 19.000 0.057 0.000 0.966 339 A HN 0.435 nan 8.150 nan 0.000 0.510 340 T N -0.269 114.309 114.554 0.040 0.000 2.849 340 T HA -0.053 4.296 4.350 -0.002 0.000 0.270 340 T C 1.418 176.133 174.700 0.026 0.000 1.066 340 T CA 1.789 63.908 62.100 0.033 0.000 1.130 340 T CB -0.271 68.609 68.868 0.021 0.000 0.864 340 T HN 1.202 nan 8.240 nan 0.000 0.481 341 A N 0.546 123.378 122.820 0.020 0.000 2.220 341 A HA 0.770 5.089 4.320 -0.002 0.000 0.211 341 A C 2.594 180.170 177.584 -0.013 0.000 1.176 341 A CA 0.863 52.901 52.037 0.003 0.000 0.834 341 A CB -0.823 18.177 19.000 0.000 0.000 0.868 341 A HN 0.659 nan 8.150 nan 0.000 0.488 342 A N 0.884 123.712 122.820 0.013 0.000 1.863 342 A HA -0.061 4.257 4.320 -0.002 0.000 0.218 342 A C 2.540 179.999 177.584 -0.208 0.000 1.233 342 A CA 2.795 54.823 52.037 -0.016 0.000 0.655 342 A CB -1.430 17.691 19.000 0.202 0.000 0.839 342 A HN 1.293 nan 8.150 nan 0.000 0.454 343 A N -0.616 122.101 122.820 -0.172 0.000 1.909 343 A HA -0.070 4.249 4.320 -0.002 0.000 0.221 343 A C 2.555 180.019 177.584 -0.199 0.000 1.223 343 A CA 3.342 55.233 52.037 -0.243 0.000 0.658 343 A CB -1.278 17.691 19.000 -0.051 0.000 0.831 343 A HN 1.449 nan 8.150 nan 0.000 0.462 344 A N -0.932 121.821 122.820 -0.110 0.000 1.968 344 A HA 0.279 4.597 4.320 -0.002 0.000 0.217 344 A C 2.474 180.005 177.584 -0.088 0.000 1.169 344 A CA 1.863 53.852 52.037 -0.080 0.000 0.638 344 A CB -0.888 18.086 19.000 -0.045 0.000 0.812 344 A HN 1.168 nan 8.150 nan 0.000 0.446 345 A N -0.458 122.301 122.820 -0.100 0.000 1.930 345 A HA 0.030 4.349 4.320 -0.002 0.000 0.217 345 A C 2.175 179.693 177.584 -0.110 0.000 1.175 345 A CA 1.678 53.666 52.037 -0.083 0.000 0.627 345 A CB -0.798 18.164 19.000 -0.064 0.000 0.815 345 A HN 0.356 nan 8.150 nan 0.000 0.443 346 V N 0.710 120.500 119.914 -0.206 0.000 2.427 346 V HA -0.236 3.883 4.120 -0.002 0.000 0.248 346 V C 2.136 178.152 176.094 -0.129 0.000 1.051 346 V CA 2.137 64.302 62.300 -0.226 0.000 1.048 346 V CB -0.785 30.733 31.823 -0.508 0.000 0.666 346 V HN 0.521 nan 8.190 nan 0.000 0.456 347 D N -0.176 120.151 120.400 -0.122 0.000 2.092 347 D HA -0.219 4.420 4.640 -0.002 0.000 0.193 347 D C 2.294 178.574 176.300 -0.035 0.000 0.994 347 D CA 1.535 55.497 54.000 -0.064 0.000 0.828 347 D CB -0.201 40.566 40.800 -0.056 0.000 0.963 347 D HN 0.522 nan 8.370 nan 0.000 0.450 348 Q N 0.170 119.949 119.800 -0.036 0.000 2.084 348 Q HA -0.193 4.146 4.340 -0.002 0.000 0.202 348 Q C 2.108 178.104 176.000 -0.007 0.000 0.978 348 Q CA 1.197 56.990 55.803 -0.017 0.000 0.844 348 Q CB -0.057 28.670 28.738 -0.018 0.000 0.898 348 Q HN 0.155 nan 8.270 nan 0.000 0.426 349 E N 1.012 121.204 120.200 -0.014 0.000 2.038 349 E HA -0.208 4.140 4.350 -0.002 0.000 0.195 349 E C 1.764 178.374 176.600 0.018 0.000 1.000 349 E CA 0.915 57.316 56.400 0.002 0.000 0.803 349 E CB -0.373 29.324 29.700 -0.004 0.000 0.750 349 E HN 0.202 nan 8.360 nan 0.000 0.448 350 L N 0.443 121.674 121.223 0.013 0.000 2.012 350 L HA -0.116 4.223 4.340 -0.002 0.000 0.210 350 L C 2.248 179.147 176.870 0.047 0.000 1.073 350 L CA 2.442 57.303 54.840 0.035 0.000 0.748 350 L CB -1.238 40.838 42.059 0.028 0.000 0.891 350 L HN 0.223 nan 8.230 nan 0.000 0.431 351 A N -1.511 121.329 122.820 0.033 0.000 1.908 351 A HA -0.235 4.084 4.320 -0.002 0.000 0.218 351 A C 2.373 179.986 177.584 0.049 0.000 1.181 351 A CA 2.206 54.268 52.037 0.042 0.000 0.627 351 A CB -1.045 17.969 19.000 0.023 0.000 0.818 351 A HN 0.563 nan 8.150 nan 0.000 0.445 352 S N -0.391 115.332 115.700 0.038 0.000 2.353 352 S HA -0.163 4.305 4.470 -0.002 0.000 0.222 352 S C 1.928 176.560 174.600 0.054 0.000 1.035 352 S CA 1.552 59.775 58.200 0.038 0.000 1.025 352 S CB -0.743 62.474 63.200 0.029 0.000 0.902 352 S HN 0.357 nan 8.310 nan 0.000 0.440 353 V N 2.599 122.549 119.914 0.061 0.000 2.255 353 V HA -0.202 3.917 4.120 -0.002 0.000 0.247 353 V C 2.262 178.423 176.094 0.112 0.000 1.051 353 V CA 1.722 64.068 62.300 0.077 0.000 1.018 353 V CB -0.914 30.955 31.823 0.077 0.000 0.641 353 V HN 0.432 nan 8.190 nan 0.000 0.445 354 L N 0.494 121.800 121.223 0.139 0.000 2.129 354 L HA -0.158 4.181 4.340 -0.002 0.000 0.212 354 L C 2.580 179.568 176.870 0.197 0.000 1.087 354 L CA 1.702 56.685 54.840 0.239 0.000 0.757 354 L CB -1.238 40.971 42.059 0.249 0.000 0.896 354 L HN 0.530 nan 8.230 nan 0.000 0.434 355 G N -0.504 108.361 108.800 0.109 0.000 2.470 355 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.220 355 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.220 355 G C 1.592 176.517 174.900 0.042 0.000 1.121 355 G CA 1.198 46.332 45.100 0.057 0.000 0.766 355 G HN 0.486 nan 8.290 nan 0.000 0.553 356 T N -1.480 113.113 114.554 0.064 0.000 3.081 356 T HA 0.421 4.770 4.350 -0.002 0.000 0.250 356 T C 1.010 175.750 174.700 0.066 0.000 1.100 356 T CA -0.286 61.844 62.100 0.051 0.000 1.038 356 T CB -0.055 68.843 68.868 0.049 0.000 0.962 356 T HN 0.094 nan 8.240 nan 0.000 0.516 357 L N 0.430 121.717 121.223 0.106 0.000 2.440 357 L HA 0.538 4.877 4.340 -0.002 0.000 0.262 357 L C 0.659 177.561 176.870 0.053 0.000 1.072 357 L CA -0.990 53.946 54.840 0.159 0.000 0.798 357 L CB 1.127 43.400 42.059 0.357 0.000 1.307 357 L HN -0.012 nan 8.230 nan 0.000 0.475 358 S N -1.367 114.421 115.700 0.148 0.000 2.809 358 S HA 0.223 4.692 4.470 -0.002 0.000 0.248 358 S C -0.446 174.143 174.600 -0.018 0.000 1.071 358 S CA -0.591 57.633 58.200 0.040 0.000 1.059 358 S CB -0.212 63.062 63.200 0.124 0.000 0.923 358 S HN 0.435 nan 8.310 nan 0.000 0.516 359 Y N -0.221 119.974 120.300 -0.174 0.000 2.296 359 Y HA 0.566 5.114 4.550 -0.002 0.000 0.343 359 Y C 0.348 176.088 175.900 -0.267 0.000 1.292 359 Y CA -1.317 56.342 58.100 -0.736 0.000 1.490 359 Y CB -0.215 37.849 38.460 -0.660 0.000 1.359 359 Y HN -0.116 nan 8.280 nan 0.000 0.599 360 V N 1.889 121.752 119.914 -0.085 0.000 2.599 360 V HA -0.073 4.046 4.120 -0.002 0.000 0.300 360 V C 0.424 176.649 176.094 0.219 0.000 1.034 360 V CA -0.226 62.085 62.300 0.018 0.000 1.115 360 V CB -0.006 31.735 31.823 -0.136 0.000 0.934 360 V HN 0.803 nan 8.190 nan 0.000 0.485 361 E N 4.196 124.445 120.200 0.082 0.000 2.820 361 E HA 0.205 4.554 4.350 -0.002 0.000 0.251 361 E C 1.212 177.937 176.600 0.209 0.000 0.944 361 E CA 1.315 57.756 56.400 0.069 0.000 0.955 361 E CB -0.211 29.505 29.700 0.027 0.000 0.904 361 E HN 1.029 nan 8.360 nan 0.000 0.513 362 G N 3.815 112.695 108.800 0.135 0.000 2.176 362 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.253 362 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.253 362 G C 0.353 175.086 174.900 -0.279 0.000 0.979 362 G CA 0.179 45.242 45.100 -0.062 0.000 0.641 362 G HN 0.493 nan 8.290 nan 0.000 0.530 363 F N 2.040 122.037 119.950 0.078 0.000 2.980 363 F HA 0.661 5.187 4.527 -0.002 0.000 0.299 363 F C 1.096 176.816 175.800 -0.133 0.000 1.211 363 F CA 0.098 58.107 58.000 0.015 0.000 1.328 363 F CB 0.654 39.805 39.000 0.252 0.000 1.154 363 F HN 0.395 nan 8.300 nan 0.000 0.528 364 A N 0.545 123.148 122.820 -0.362 0.000 2.288 364 A HA 0.748 5.067 4.320 -0.002 0.000 0.320 364 A C -1.098 176.217 177.584 -0.447 0.000 1.217 364 A CA -0.295 51.527 52.037 -0.359 0.000 0.840 364 A CB 0.303 19.113 19.000 -0.316 0.000 1.179 364 A HN 0.279 nan 8.150 nan 0.000 0.504 365 F N 1.144 121.165 119.950 0.117 0.000 2.477 365 F HA 0.457 4.983 4.527 -0.002 0.000 0.335 365 F C 0.480 176.413 175.800 0.221 0.000 1.130 365 F CA -0.233 57.890 58.000 0.204 0.000 0.948 365 F CB 2.141 41.400 39.000 0.432 0.000 1.154 365 F HN 0.577 nan 8.300 nan 0.000 0.439 366 Q N 3.624 123.551 119.800 0.211 0.000 2.301 366 Q HA 0.730 5.069 4.340 -0.002 0.000 0.267 366 Q C -0.661 175.329 176.000 -0.017 0.000 1.035 366 Q CA -1.326 54.565 55.803 0.147 0.000 0.856 366 Q CB 2.711 31.503 28.738 0.091 0.000 1.337 366 Q HN 0.480 nan 8.270 nan 0.000 0.450 367 R N 0.967 121.475 120.500 0.014 0.000 2.739 367 R HA 0.462 4.801 4.340 -0.002 0.000 0.271 367 R C -1.685 174.702 176.300 0.145 0.000 1.010 367 R CA -0.835 55.221 56.100 -0.075 0.000 0.897 367 R CB 1.758 31.818 30.300 -0.401 0.000 1.236 367 R HN 0.708 nan 8.270 nan 0.000 0.466 368 D N 0.758 121.241 120.400 0.139 0.000 2.788 368 D HA 0.476 5.114 4.640 -0.002 0.000 0.247 368 D C -0.930 175.482 176.300 0.186 0.000 1.236 368 D CA -0.501 53.619 54.000 0.201 0.000 0.898 368 D CB 1.457 42.362 40.800 0.174 0.000 1.401 368 D HN 0.366 nan 8.370 nan 0.000 0.549 369 V N 0.543 120.585 119.914 0.213 0.000 3.167 369 V HA 0.969 5.088 4.120 -0.002 0.000 0.310 369 V C -0.261 175.886 176.094 0.089 0.000 1.207 369 V CA -1.066 61.337 62.300 0.171 0.000 1.059 369 V CB 1.221 33.212 31.823 0.279 0.000 1.079 369 V HN 0.632 nan 8.190 nan 0.000 0.446 370 A N 0.237 123.096 122.820 0.065 0.000 2.407 370 A HA 0.478 4.797 4.320 -0.002 0.000 0.248 370 A C 0.500 178.122 177.584 0.063 0.000 1.082 370 A CA 0.117 52.172 52.037 0.030 0.000 0.785 370 A CB -0.237 18.775 19.000 0.021 0.000 1.020 370 A HN 1.352 nan 8.150 nan 0.000 0.489 371 Y N 2.528 122.765 120.300 -0.105 0.000 2.114 371 Y HA -0.259 4.290 4.550 -0.002 0.000 0.282 371 Y C 2.413 178.255 175.900 -0.098 0.000 1.165 371 Y CA 2.478 60.514 58.100 -0.107 0.000 1.148 371 Y CB -0.729 37.660 38.460 -0.119 0.000 0.972 371 Y HN 0.683 nan 8.280 nan 0.000 0.504 372 A N 0.172 122.891 122.820 -0.167 0.000 1.933 372 A HA -0.084 4.235 4.320 -0.002 0.000 0.218 372 A C 2.472 179.904 177.584 -0.252 0.000 1.175 372 A CA 1.948 53.804 52.037 -0.302 0.000 0.628 372 A CB -1.439 17.463 19.000 -0.163 0.000 0.814 372 A HN 0.604 nan 8.150 nan 0.000 0.444 373 A N -0.974 121.775 122.820 -0.119 0.000 1.902 373 A HA -0.027 4.292 4.320 -0.002 0.000 0.217 373 A C 2.040 179.550 177.584 -0.123 0.000 1.181 373 A CA 1.606 53.603 52.037 -0.066 0.000 0.623 373 A CB -0.717 18.302 19.000 0.033 0.000 0.818 373 A HN 0.739 nan 8.150 nan 0.000 0.443 374 F N 0.767 120.535 119.950 -0.302 0.000 2.075 374 F HA -0.140 4.386 4.527 -0.001 0.000 0.297 374 F C 1.901 177.350 175.800 -0.585 0.000 1.113 374 F CA 1.757 59.426 58.000 -0.550 0.000 1.218 374 F CB -0.397 38.207 39.000 -0.659 0.000 0.984 374 F HN 0.132 nan 8.300 nan 0.000 0.472 375 L N -0.051 120.720 121.223 -0.753 0.000 2.079 375 L HA -0.227 4.112 4.340 -0.002 0.000 0.210 375 L C 1.388 177.850 176.870 -0.680 0.000 1.081 375 L CA 1.952 56.243 54.840 -0.916 0.000 0.752 375 L CB -0.724 40.671 42.059 -1.107 0.000 0.896 375 L HN 0.181 nan 8.230 nan 0.000 0.433 376 D N -0.543 119.575 120.400 -0.471 0.000 2.358 376 D HA -0.023 4.616 4.640 -0.002 0.000 0.224 376 D C 1.949 178.165 176.300 -0.139 0.000 1.123 376 D CA -0.128 53.717 54.000 -0.260 0.000 0.833 376 D CB 0.259 40.943 40.800 -0.194 0.000 0.946 376 D HN 0.177 nan 8.370 nan 0.000 0.505 377 R N -0.662 119.688 120.500 -0.250 0.000 2.117 377 R HA -0.134 4.205 4.340 -0.002 0.000 0.243 377 R C 1.314 177.633 176.300 0.032 0.000 1.143 377 R CA 1.390 57.432 56.100 -0.097 0.000 0.968 377 R CB -0.840 29.338 30.300 -0.203 0.000 0.863 377 R HN 0.108 nan 8.270 nan 0.000 0.444 378 V N 1.157 121.097 119.914 0.042 0.000 2.809 378 V HA -0.176 3.942 4.120 -0.002 0.000 0.256 378 V C 2.277 178.476 176.094 0.175 0.000 1.080 378 V CA 1.917 64.309 62.300 0.154 0.000 1.102 378 V CB -0.858 31.118 31.823 0.255 0.000 0.705 378 V HN 0.456 nan 8.190 nan 0.000 0.475 379 H N 1.510 120.616 119.070 0.060 0.000 2.353 379 H HA -0.149 4.405 4.556 -0.003 0.000 0.298 379 H C 2.251 177.545 175.328 -0.058 0.000 1.103 379 H CA 1.960 57.998 56.048 -0.018 0.000 1.293 379 H CB -0.569 29.171 29.762 -0.037 0.000 1.372 379 H HN 0.359 nan 8.280 nan 0.000 0.501 380 G N -0.226 108.554 108.800 -0.033 0.000 2.442 380 G HA2 -0.303 3.655 3.960 -0.002 0.000 0.219 380 G HA3 -0.303 3.655 3.960 -0.002 0.000 0.219 380 G C 1.668 176.511 174.900 -0.096 0.000 1.141 380 G CA 0.802 45.855 45.100 -0.080 0.000 0.763 380 G HN 0.570 nan 8.290 nan 0.000 0.554 381 E N -0.046 120.137 120.200 -0.029 0.000 2.150 381 E HA -0.096 4.253 4.350 -0.002 0.000 0.193 381 E C 2.238 178.805 176.600 -0.055 0.000 0.985 381 E CA 0.782 57.195 56.400 0.021 0.000 0.814 381 E CB -0.085 29.684 29.700 0.114 0.000 0.752 381 E HN 0.635 nan 8.360 nan 0.000 0.466 382 E N -0.115 119.933 120.200 -0.255 0.000 2.047 382 E HA -0.163 4.186 4.350 -0.002 0.000 0.191 382 E C 2.103 178.372 176.600 -0.550 0.000 0.987 382 E CA 1.259 57.257 56.400 -0.670 0.000 0.799 382 E CB 0.174 29.291 29.700 -0.972 0.000 0.752 382 E HN 0.115 nan 8.360 nan 0.000 0.449 383 V N 1.607 121.225 119.914 -0.492 0.000 2.252 383 V HA -0.332 3.786 4.120 -0.002 0.000 0.249 383 V C 2.527 178.522 176.094 -0.166 0.000 1.056 383 V CA 2.063 64.159 62.300 -0.341 0.000 1.022 383 V CB -1.020 30.617 31.823 -0.310 0.000 0.641 383 V HN 0.442 nan 8.190 nan 0.000 0.445 384 A N -0.248 122.509 122.820 -0.106 0.000 1.865 384 A HA -0.201 4.117 4.320 -0.002 0.000 0.217 384 A C 2.233 179.835 177.584 0.030 0.000 1.191 384 A CA 2.135 54.159 52.037 -0.021 0.000 0.623 384 A CB -0.682 18.322 19.000 0.008 0.000 0.826 384 A HN 0.503 nan 8.150 nan 0.000 0.444 385 L N -0.538 120.729 121.223 0.073 0.000 2.079 385 L HA -0.220 4.118 4.340 -0.002 0.000 0.210 385 L C 2.539 179.530 176.870 0.202 0.000 1.081 385 L CA 1.640 56.594 54.840 0.191 0.000 0.752 385 L CB -0.596 41.692 42.059 0.382 0.000 0.896 385 L HN 0.531 nan 8.230 nan 0.000 0.433 386 N N 0.102 118.873 118.700 0.119 0.000 2.142 386 N HA -0.170 4.569 4.740 -0.002 0.000 0.186 386 N C 1.787 177.346 175.510 0.081 0.000 1.023 386 N CA 1.183 54.309 53.050 0.127 0.000 0.852 386 N CB 0.103 38.572 38.487 -0.030 0.000 0.998 386 N HN 0.030 nan 8.380 nan 0.000 0.424 387 K N 0.418 120.838 120.400 0.034 0.000 2.103 387 K HA -0.052 4.266 4.320 -0.002 0.000 0.207 387 K C 1.727 178.356 176.600 0.047 0.000 1.048 387 K CA 0.766 57.071 56.287 0.030 0.000 0.930 387 K CB -0.501 32.006 32.500 0.012 0.000 0.716 387 K HN 0.363 nan 8.250 nan 0.000 0.444 388 L N 0.112 121.373 121.223 0.064 0.000 2.610 388 L HA 0.038 4.377 4.340 -0.002 0.000 0.232 388 L C 1.060 177.975 176.870 0.075 0.000 1.149 388 L CA 0.460 55.339 54.840 0.066 0.000 0.872 388 L CB -0.547 41.558 42.059 0.076 0.000 0.992 388 L HN 0.352 nan 8.230 nan 0.000 0.447 389 G N 0.674 109.529 108.800 0.092 0.000 2.179 389 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.257 389 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.257 389 G C 0.491 175.453 174.900 0.103 0.000 1.010 389 G CA 0.268 45.424 45.100 0.093 0.000 0.736 389 G HN 0.397 nan 8.290 nan 0.000 0.513 390 L N -1.236 120.077 121.223 0.149 0.000 2.872 390 L HA 0.339 4.678 4.340 -0.002 0.000 0.245 390 L C 1.783 178.807 176.870 0.256 0.000 1.211 390 L CA -0.554 54.376 54.840 0.150 0.000 1.013 390 L CB -0.092 42.053 42.059 0.144 0.000 1.326 390 L HN 0.524 nan 8.230 nan 0.000 0.525 391 W N 0.853 122.203 121.300 0.084 0.000 2.850 391 W HA 0.118 4.775 4.660 -0.004 0.000 0.260 391 W C 0.677 177.273 176.519 0.128 0.000 1.129 391 W CA -0.145 57.296 57.345 0.160 0.000 1.587 391 W CB 0.561 30.108 29.460 0.146 0.000 1.041 391 W HN -0.038 nan 8.180 nan 0.000 0.614 392 R N 2.115 122.692 120.500 0.129 0.000 4.496 392 R HA 0.124 4.463 4.340 -0.002 0.000 0.211 392 R C -0.079 176.125 176.300 -0.160 0.000 1.738 392 R CA -0.047 56.030 56.100 -0.038 0.000 1.528 392 R CB -0.048 30.307 30.300 0.090 0.000 1.414 392 R HN -0.097 nan 8.270 nan 0.000 0.812 393 V N -2.561 117.134 119.914 -0.364 0.000 3.141 393 V HA 0.681 4.800 4.120 -0.002 0.000 0.312 393 V C -2.778 172.874 176.094 -0.736 0.000 1.157 393 V CA -3.525 58.523 62.300 -0.421 0.000 1.041 393 V CB 2.384 34.006 31.823 -0.334 0.000 1.071 393 V HN 0.065 nan 8.190 nan 0.000 0.441 394 P HA 0.317 nan 4.420 nan 0.000 0.268 394 P C -1.187 175.668 177.300 -0.742 0.000 1.204 394 P CA 0.516 63.303 63.100 -0.520 0.000 0.768 394 P CB -0.079 31.454 31.700 -0.279 0.000 0.842 395 H N 3.484 122.274 119.070 -0.468 0.000 2.530 395 H HA 0.222 4.776 4.556 -0.003 0.000 0.246 395 H C -1.913 173.265 175.328 -0.251 0.000 1.346 395 H CA -1.803 53.946 56.048 -0.499 0.000 1.424 395 H CB 0.508 29.529 29.762 -1.235 0.000 1.445 395 H HN 0.302 nan 8.280 nan 0.000 0.511 396 P HA -0.029 nan 4.420 nan 0.000 0.225 396 P C -0.604 176.967 177.300 0.451 0.000 1.813 396 P CA -0.359 62.845 63.100 0.173 0.000 1.013 396 P CB -0.129 31.627 31.700 0.093 0.000 1.961 397 W N 1.763 123.162 121.300 0.165 0.000 2.190 397 W HA 0.249 4.909 4.660 -0.000 0.000 0.330 397 W C 0.388 176.979 176.519 0.121 0.000 1.299 397 W CA -0.322 57.115 57.345 0.154 0.000 1.215 397 W CB 0.032 29.554 29.460 0.103 0.000 1.147 397 W HN 0.101 nan 8.180 nan 0.000 0.563 398 L N 4.596 125.992 121.223 0.287 0.000 2.319 398 L HA 0.415 4.754 4.340 -0.002 0.000 0.281 398 L C -1.123 175.785 176.870 0.062 0.000 1.005 398 L CA -0.515 54.430 54.840 0.174 0.000 0.828 398 L CB 0.417 42.618 42.059 0.237 0.000 1.227 398 L HN 0.341 nan 8.230 nan 0.000 0.415 399 N N 6.492 125.214 118.700 0.036 0.000 2.296 399 N HA 0.883 5.621 4.740 -0.002 0.000 0.294 399 N C -0.914 174.540 175.510 -0.093 0.000 1.033 399 N CA -0.621 52.418 53.050 -0.018 0.000 0.839 399 N CB 1.827 40.343 38.487 0.048 0.000 1.395 399 N HN 0.673 nan 8.380 nan 0.000 0.479 400 M N -1.081 118.400 119.600 -0.198 0.000 2.773 400 M HA 0.580 5.059 4.480 -0.002 0.000 0.270 400 M C -1.873 174.224 176.300 -0.340 0.000 1.238 400 M CA -0.786 54.354 55.300 -0.266 0.000 0.832 400 M CB 1.702 34.213 32.600 -0.148 0.000 1.672 400 M HN 0.116 nan 8.290 nan 0.000 0.480 401 F N 1.220 121.171 119.950 0.003 0.000 2.426 401 F HA 0.702 5.228 4.527 -0.002 0.000 0.348 401 F C -0.467 175.320 175.800 -0.021 0.000 1.124 401 F CA -0.992 56.980 58.000 -0.046 0.000 1.008 401 F CB 2.044 40.879 39.000 -0.274 0.000 1.139 401 F HN 0.310 nan 8.300 nan 0.000 0.452 402 V N 5.634 125.670 119.914 0.203 0.000 2.409 402 V HA 0.411 4.530 4.120 -0.002 0.000 0.291 402 V C -2.126 174.097 176.094 0.215 0.000 1.020 402 V CA -2.200 60.172 62.300 0.120 0.000 0.848 402 V CB 1.779 33.531 31.823 -0.118 0.000 0.990 402 V HN 0.489 nan 8.190 nan 0.000 0.430 403 P HA 0.035 nan 4.420 nan 0.000 0.265 403 P C 0.650 178.074 177.300 0.207 0.000 1.193 403 P CA -0.012 63.200 63.100 0.186 0.000 0.765 403 P CB 1.006 32.764 31.700 0.097 0.000 0.823 404 R N 3.335 123.994 120.500 0.265 0.000 2.103 404 R HA -0.177 4.162 4.340 -0.002 0.000 0.242 404 R C 2.023 178.412 176.300 0.148 0.000 1.142 404 R CA 2.521 58.787 56.100 0.276 0.000 0.960 404 R CB -0.728 29.729 30.300 0.262 0.000 0.858 404 R HN 0.609 nan 8.270 nan 0.000 0.439 405 S N -0.254 115.515 115.700 0.115 0.000 2.465 405 S HA -0.061 4.407 4.470 -0.002 0.000 0.241 405 S C 1.346 175.993 174.600 0.078 0.000 1.000 405 S CA 0.716 58.966 58.200 0.083 0.000 0.964 405 S CB 0.030 63.267 63.200 0.063 0.000 0.763 405 S HN 0.322 nan 8.310 nan 0.000 0.512 406 R N -0.508 120.044 120.500 0.088 0.000 2.535 406 R HA 0.431 4.770 4.340 -0.002 0.000 0.323 406 R C 1.185 177.551 176.300 0.109 0.000 0.979 406 R CA -0.180 55.976 56.100 0.093 0.000 1.120 406 R CB -0.892 29.465 30.300 0.095 0.000 1.306 406 R HN 0.426 nan 8.270 nan 0.000 0.540 407 I N 1.514 122.120 120.570 0.061 0.000 2.361 407 I HA -0.130 4.039 4.170 -0.002 0.000 0.251 407 I C 1.927 178.096 176.117 0.086 0.000 1.133 407 I CA 1.181 62.480 61.300 -0.000 0.000 1.413 407 I CB -0.070 37.728 38.000 -0.338 0.000 1.073 407 I HN 0.152 nan 8.210 nan 0.000 0.424 408 A N -0.332 122.579 122.820 0.152 0.000 1.930 408 A HA -0.179 4.140 4.320 -0.002 0.000 0.217 408 A C 2.014 179.593 177.584 -0.008 0.000 1.175 408 A CA 1.869 53.978 52.037 0.119 0.000 0.627 408 A CB -0.711 18.406 19.000 0.195 0.000 0.815 408 A HN 0.434 nan 8.150 nan 0.000 0.443 409 D N -1.150 119.293 120.400 0.071 0.000 2.144 409 D HA -0.104 4.535 4.640 -0.002 0.000 0.200 409 D C 1.607 177.987 176.300 0.133 0.000 0.978 409 D CA 0.971 55.035 54.000 0.106 0.000 0.833 409 D CB -0.392 40.484 40.800 0.128 0.000 0.961 409 D HN 0.471 nan 8.370 nan 0.000 0.470 410 F N 1.694 121.632 119.950 -0.020 0.000 2.102 410 F HA -0.224 4.301 4.527 -0.002 0.000 0.298 410 F C 2.065 177.620 175.800 -0.409 0.000 1.105 410 F CA 1.749 59.685 58.000 -0.106 0.000 1.239 410 F CB -0.076 38.836 39.000 -0.148 0.000 0.991 410 F HN -0.154 nan 8.300 nan 0.000 0.474 411 D N -0.310 119.948 120.400 -0.235 0.000 2.116 411 D HA -0.218 4.421 4.640 -0.002 0.000 0.193 411 D C 2.291 178.405 176.300 -0.310 0.000 0.998 411 D CA 1.794 55.556 54.000 -0.396 0.000 0.836 411 D CB -0.118 40.026 40.800 -1.094 0.000 0.951 411 D HN 0.241 nan 8.370 nan 0.000 0.449 412 R N -0.561 119.789 120.500 -0.250 0.000 2.073 412 R HA 0.010 4.349 4.340 -0.002 0.000 0.234 412 R C 2.548 178.662 176.300 -0.310 0.000 1.134 412 R CA 1.299 57.290 56.100 -0.181 0.000 0.952 412 R CB -0.546 29.706 30.300 -0.080 0.000 0.850 412 R HN 0.274 nan 8.270 nan 0.000 0.433 413 G N -0.213 108.284 108.800 -0.506 0.000 2.464 413 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.217 413 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.217 413 G C 1.272 175.505 174.900 -1.111 0.000 1.138 413 G CA 0.448 44.906 45.100 -1.071 0.000 0.793 413 G HN 0.120 nan 8.290 nan 0.000 0.539 414 V N -0.383 118.927 119.914 -1.006 0.000 2.735 414 V HA 0.220 4.339 4.120 -0.002 0.000 0.234 414 V C 2.169 177.988 176.094 -0.459 0.000 1.121 414 V CA 0.397 62.167 62.300 -0.883 0.000 1.160 414 V CB -0.721 30.282 31.823 -1.366 0.000 0.908 414 V HN 0.171 nan 8.190 nan 0.000 0.495 415 F N 1.340 121.157 119.950 -0.221 0.000 2.186 415 F HA -0.001 4.525 4.527 -0.002 0.000 0.299 415 F C 2.118 177.855 175.800 -0.106 0.000 1.090 415 F CA 1.143 59.082 58.000 -0.101 0.000 1.307 415 F CB -0.595 38.398 39.000 -0.013 0.000 1.019 415 F HN 0.111 nan 8.300 nan 0.000 0.489 416 K N -0.754 119.661 120.400 0.025 0.000 2.374 416 K HA 0.260 4.579 4.320 -0.002 0.000 0.196 416 K C 1.523 178.072 176.600 -0.086 0.000 1.023 416 K CA 0.438 56.718 56.287 -0.011 0.000 1.103 416 K CB 0.379 32.880 32.500 0.002 0.000 0.848 416 K HN 0.324 nan 8.250 nan 0.000 0.528 417 G N 0.903 109.602 108.800 -0.168 0.000 2.542 417 G HA2 0.060 4.019 3.960 -0.002 0.000 0.208 417 G HA3 0.060 4.019 3.960 -0.002 0.000 0.208 417 G C 1.090 175.875 174.900 -0.192 0.000 1.976 417 G CA -0.371 44.607 45.100 -0.204 0.000 0.722 417 G HN -0.028 nan 8.290 nan 0.000 0.798 418 I N 0.676 121.081 120.570 -0.276 0.000 2.143 418 I HA -0.198 3.971 4.170 -0.002 0.000 0.245 418 I C 2.571 178.606 176.117 -0.138 0.000 1.068 418 I CA 0.972 62.140 61.300 -0.221 0.000 1.326 418 I CB -0.143 37.681 38.000 -0.293 0.000 1.028 418 I HN 0.074 nan 8.210 nan 0.000 0.412 419 L N -0.097 121.065 121.223 -0.102 0.000 2.291 419 L HA -0.038 4.300 4.340 -0.002 0.000 0.214 419 L C 1.227 178.094 176.870 -0.005 0.000 1.120 419 L CA 1.206 56.041 54.840 -0.009 0.000 0.799 419 L CB -0.806 41.314 42.059 0.102 0.000 0.925 419 L HN 0.228 nan 8.230 nan 0.000 0.446 420 Q N -0.010 119.773 119.800 -0.028 0.000 2.361 420 Q HA 0.280 4.618 4.340 -0.002 0.000 0.276 420 Q C 1.278 177.262 176.000 -0.027 0.000 1.022 420 Q CA 0.978 56.768 55.803 -0.021 0.000 0.898 420 Q CB 0.139 28.858 28.738 -0.032 0.000 1.246 420 Q HN 0.431 nan 8.270 nan 0.000 0.410 421 G N 1.639 110.429 108.800 -0.017 0.000 2.159 421 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.256 421 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.256 421 G C 0.236 175.125 174.900 -0.018 0.000 0.977 421 G CA 0.606 45.694 45.100 -0.019 0.000 0.652 421 G HN 0.832 nan 8.290 nan 0.000 0.531 422 T N -2.090 112.458 114.554 -0.010 0.000 2.908 422 T HA 0.612 4.961 4.350 -0.002 0.000 0.290 422 T C -0.973 173.735 174.700 0.014 0.000 1.034 422 T CA -0.611 61.483 62.100 -0.010 0.000 1.010 422 T CB 2.588 71.441 68.868 -0.026 0.000 1.068 422 T HN -0.032 nan 8.240 nan 0.000 0.481 423 D N 2.052 122.461 120.400 0.015 0.000 2.316 423 D HA 0.354 4.993 4.640 -0.002 0.000 0.245 423 D C -0.108 176.231 176.300 0.065 0.000 1.171 423 D CA -0.025 53.996 54.000 0.035 0.000 0.856 423 D CB 0.885 41.701 40.800 0.026 0.000 1.090 423 D HN 0.517 nan 8.370 nan 0.000 0.476 424 I N 2.017 122.644 120.570 0.096 0.000 2.359 424 I HA 0.205 4.374 4.170 -0.002 0.000 0.294 424 I C -0.193 176.013 176.117 0.148 0.000 0.987 424 I CA -0.837 60.559 61.300 0.159 0.000 1.225 424 I CB 1.731 39.837 38.000 0.177 0.000 1.366 424 I HN -0.063 nan 8.210 nan 0.000 0.466 425 V N 5.344 125.369 119.914 0.186 0.000 2.380 425 V HA 0.866 4.984 4.120 -0.002 0.000 0.286 425 V C 0.163 176.365 176.094 0.181 0.000 1.015 425 V CA -0.460 61.937 62.300 0.160 0.000 0.834 425 V CB 0.893 32.801 31.823 0.140 0.000 1.009 425 V HN 1.072 nan 8.190 nan 0.000 0.428 426 G N 5.858 114.734 108.800 0.127 0.000 2.348 426 G HA2 0.202 4.161 3.960 -0.002 0.000 0.606 426 G HA3 0.202 4.161 3.960 -0.002 0.000 0.606 426 G C -3.438 171.439 174.900 -0.039 0.000 1.466 426 G CA -0.780 44.363 45.100 0.072 0.000 0.950 426 G HN 0.537 nan 8.290 nan 0.000 0.657 427 P HA 0.555 nan 4.420 nan 0.000 0.277 427 P C -0.364 176.775 177.300 -0.268 0.000 1.240 427 P CA -0.483 62.527 63.100 -0.151 0.000 0.798 427 P CB 1.259 32.906 31.700 -0.089 0.000 0.979 428 L N 3.181 124.229 121.223 -0.291 0.000 2.301 428 L HA 0.475 4.814 4.340 -0.002 0.000 0.278 428 L C 0.263 176.998 176.870 -0.224 0.000 1.022 428 L CA -0.597 54.078 54.840 -0.274 0.000 0.854 428 L CB 0.644 42.529 42.059 -0.291 0.000 1.226 428 L HN 0.224 nan 8.230 nan 0.000 0.429 429 I N 3.766 124.268 120.570 -0.113 0.000 2.359 429 I HA 0.485 4.654 4.170 -0.002 0.000 0.294 429 I C -0.387 175.796 176.117 0.110 0.000 0.987 429 I CA -0.759 60.556 61.300 0.024 0.000 1.225 429 I CB 1.954 40.002 38.000 0.079 0.000 1.366 429 I HN 0.198 nan 8.210 nan 0.000 0.466 430 V N 7.346 127.403 119.914 0.237 0.000 2.668 430 V HA 0.521 4.640 4.120 -0.002 0.000 0.304 430 V C -1.299 175.066 176.094 0.452 0.000 1.071 430 V CA -0.635 61.854 62.300 0.315 0.000 0.894 430 V CB 1.749 33.833 31.823 0.435 0.000 1.008 430 V HN 0.700 nan 8.190 nan 0.000 0.425 431 Y N 4.137 124.592 120.300 0.259 0.000 2.565 431 Y HA 0.792 5.341 4.550 -0.002 0.000 0.330 431 Y C -3.272 172.437 175.900 -0.317 0.000 1.150 431 Y CA -2.539 55.561 58.100 0.000 0.000 1.055 431 Y CB 1.768 40.178 38.460 -0.083 0.000 1.337 431 Y HN 0.431 nan 8.280 nan 0.000 0.457 432 P HA 0.434 nan 4.420 nan 0.000 0.277 432 P C -1.074 175.957 177.300 -0.448 0.000 1.240 432 P CA -0.113 62.404 63.100 -0.971 0.000 0.798 432 P CB 2.257 33.298 31.700 -1.097 0.000 0.979 433 L N 1.924 122.785 121.223 -0.603 0.000 2.371 433 L HA 0.449 4.788 4.340 -0.002 0.000 0.262 433 L C 0.138 176.625 176.870 -0.638 0.000 1.006 433 L CA -0.846 53.678 54.840 -0.527 0.000 0.818 433 L CB 2.093 43.708 42.059 -0.740 0.000 1.354 433 L HN 0.242 nan 8.230 nan 0.000 0.415 434 N N 1.791 120.319 118.700 -0.287 0.000 2.457 434 N HA 0.141 4.880 4.740 -0.002 0.000 0.250 434 N C 0.422 175.920 175.510 -0.021 0.000 0.982 434 N CA -0.299 52.668 53.050 -0.138 0.000 0.941 434 N CB 2.289 40.817 38.487 0.068 0.000 1.120 434 N HN 0.581 nan 8.380 nan 0.000 0.505 435 K N 1.501 121.869 120.400 -0.052 0.000 2.160 435 K HA -0.174 4.145 4.320 -0.002 0.000 0.206 435 K C 1.625 178.379 176.600 0.256 0.000 1.047 435 K CA 1.497 57.888 56.287 0.173 0.000 0.930 435 K CB 0.133 32.754 32.500 0.203 0.000 0.720 435 K HN 0.546 nan 8.250 nan 0.000 0.450 436 S N 0.077 115.889 115.700 0.186 0.000 2.419 436 S HA -0.133 4.336 4.470 -0.002 0.000 0.235 436 S C 1.594 176.312 174.600 0.197 0.000 1.019 436 S CA 0.969 59.275 58.200 0.176 0.000 0.982 436 S CB -0.120 63.171 63.200 0.152 0.000 0.789 436 S HN 0.237 nan 8.310 nan 0.000 0.490 437 M N -0.165 119.571 119.600 0.228 0.000 2.505 437 M HA 0.362 4.841 4.480 -0.002 0.000 0.230 437 M C -0.959 175.374 176.300 0.055 0.000 1.153 437 M CA -0.284 55.086 55.300 0.117 0.000 0.997 437 M CB -1.132 31.468 32.600 -0.000 0.000 1.606 437 M HN 0.389 nan 8.290 nan 0.000 0.481 438 W N 0.426 121.747 121.300 0.035 0.000 2.573 438 W HA 0.317 4.976 4.660 -0.002 0.000 0.326 438 W C 0.035 176.588 176.519 0.058 0.000 1.049 438 W CA -0.834 56.539 57.345 0.046 0.000 1.220 438 W CB 0.791 30.294 29.460 0.070 0.000 1.373 438 W HN -0.063 nan 8.180 nan 0.000 0.507 439 D N 2.502 123.041 120.400 0.232 0.000 2.411 439 D HA -0.000 4.638 4.640 -0.002 0.000 0.225 439 D C 0.694 177.116 176.300 0.205 0.000 1.156 439 D CA 0.142 54.249 54.000 0.178 0.000 0.874 439 D CB 0.680 41.552 40.800 0.121 0.000 1.034 439 D HN 0.415 nan 8.370 nan 0.000 0.502 440 D N 2.007 122.520 120.400 0.189 0.000 2.351 440 D HA -0.060 4.579 4.640 -0.002 0.000 0.216 440 D C 1.937 178.330 176.300 0.156 0.000 0.968 440 D CA 0.910 55.012 54.000 0.170 0.000 0.899 440 D CB 0.143 41.018 40.800 0.125 0.000 0.907 440 D HN 0.605 nan 8.370 nan 0.000 0.514 441 G N -0.619 108.264 108.800 0.138 0.000 2.484 441 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.218 441 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.218 441 G C 0.812 175.791 174.900 0.130 0.000 1.130 441 G CA -0.057 45.116 45.100 0.120 0.000 0.784 441 G HN 0.219 nan 8.290 nan 0.000 0.543 442 M N 0.311 120.001 119.600 0.150 0.000 2.163 442 M HA 0.186 4.665 4.480 -0.002 0.000 0.305 442 M C 1.755 178.204 176.300 0.248 0.000 1.166 442 M CA -0.324 55.068 55.300 0.152 0.000 1.132 442 M CB 1.149 33.825 32.600 0.126 0.000 1.413 442 M HN -0.045 nan 8.290 nan 0.000 0.478 443 S N 0.710 116.597 115.700 0.312 0.000 2.402 443 S HA 0.022 4.491 4.470 -0.002 0.000 0.229 443 S C 0.841 175.801 174.600 0.600 0.000 1.021 443 S CA 0.555 59.062 58.200 0.512 0.000 0.974 443 S CB -0.352 63.266 63.200 0.697 0.000 0.800 443 S HN 0.787 nan 8.310 nan 0.000 0.484 444 A N 1.571 124.688 122.820 0.495 0.000 2.567 444 A HA 0.479 4.798 4.320 -0.002 0.000 0.240 444 A C 0.367 178.184 177.584 0.389 0.000 1.053 444 A CA 0.183 52.526 52.037 0.509 0.000 0.755 444 A CB -0.131 19.200 19.000 0.552 0.000 0.978 444 A HN 0.461 nan 8.150 nan 0.000 0.507 445 A N 3.035 126.012 122.820 0.262 0.000 2.292 445 A HA 0.754 5.073 4.320 -0.002 0.000 0.319 445 A C 0.463 177.945 177.584 -0.170 0.000 1.206 445 A CA 0.232 52.258 52.037 -0.019 0.000 0.835 445 A CB 0.490 19.246 19.000 -0.408 0.000 1.164 445 A HN 1.711 nan 8.150 nan 0.000 0.505 446 T N 0.282 114.628 114.554 -0.347 0.000 2.883 446 T HA 0.764 5.113 4.350 -0.002 0.000 0.296 446 T C -3.119 171.189 174.700 -0.653 0.000 1.117 446 T CA -1.927 59.709 62.100 -0.773 0.000 1.006 446 T CB 1.404 69.531 68.868 -1.234 0.000 1.191 446 T HN 0.307 nan 8.240 nan 0.000 0.508 447 P HA 0.176 nan 4.420 nan 0.000 0.271 447 P C 0.998 178.101 177.300 -0.329 0.000 1.233 447 P CA -0.414 62.403 63.100 -0.471 0.000 0.789 447 P CB 0.457 31.912 31.700 -0.408 0.000 0.951 448 S N -1.100 114.503 115.700 -0.162 0.000 2.436 448 S HA -0.041 4.428 4.470 -0.002 0.000 0.228 448 S C 0.537 175.130 174.600 -0.013 0.000 1.014 448 S CA 0.368 58.522 58.200 -0.077 0.000 0.950 448 S CB -0.657 62.513 63.200 -0.050 0.000 0.784 448 S HN 0.430 nan 8.310 nan 0.000 0.504 449 E N 1.636 121.846 120.200 0.017 0.000 2.415 449 E HA 0.046 4.395 4.350 -0.002 0.000 0.262 449 E C 0.126 176.800 176.600 0.124 0.000 1.038 449 E CA -0.086 56.357 56.400 0.072 0.000 0.921 449 E CB 0.377 30.131 29.700 0.090 0.000 0.950 449 E HN 0.258 nan 8.360 nan 0.000 0.438 450 D N 0.679 121.129 120.400 0.084 0.000 2.182 450 D HA -0.081 4.558 4.640 -0.002 0.000 0.201 450 D C 0.171 176.489 176.300 0.029 0.000 0.986 450 D CA 1.032 55.073 54.000 0.069 0.000 0.847 450 D CB 0.246 41.074 40.800 0.046 0.000 0.942 450 D HN 0.025 nan 8.370 nan 0.000 0.467 451 V N 1.124 121.054 119.914 0.027 0.000 2.531 451 V HA 0.416 4.535 4.120 -0.002 0.000 0.301 451 V C -0.607 175.499 176.094 0.020 0.000 1.034 451 V CA -0.921 61.320 62.300 -0.098 0.000 0.865 451 V CB 1.665 33.441 31.823 -0.079 0.000 0.995 451 V HN 0.001 nan 8.190 nan 0.000 0.424 452 F N 2.869 122.742 119.950 -0.127 0.000 2.613 452 F HA 0.820 5.346 4.527 -0.002 0.000 0.310 452 F C -1.573 174.169 175.800 -0.096 0.000 1.085 452 F CA -1.491 56.479 58.000 -0.050 0.000 0.945 452 F CB 1.256 40.173 39.000 -0.139 0.000 1.298 452 F HN 0.315 nan 8.300 nan 0.000 0.455 453 Y N 1.562 121.945 120.300 0.138 0.000 2.361 453 Y HA 0.680 5.229 4.550 -0.002 0.000 0.332 453 Y C 0.337 176.293 175.900 0.093 0.000 1.101 453 Y CA -1.038 57.070 58.100 0.013 0.000 1.137 453 Y CB 1.804 40.254 38.460 -0.017 0.000 1.207 453 Y HN 0.973 nan 8.280 nan 0.000 0.463 454 A N 2.964 125.772 122.820 -0.019 0.000 2.320 454 A HA 0.634 4.953 4.320 -0.002 0.000 0.287 454 A C -1.037 176.448 177.584 -0.165 0.000 1.181 454 A CA -0.488 51.516 52.037 -0.055 0.000 0.831 454 A CB 0.038 18.748 19.000 -0.483 0.000 1.102 454 A HN 0.531 nan 8.150 nan 0.000 0.513 455 V N 2.863 122.708 119.914 -0.115 0.000 2.407 455 V HA 0.446 4.565 4.120 -0.002 0.000 0.291 455 V C -0.054 175.987 176.094 -0.089 0.000 1.018 455 V CA -0.259 61.981 62.300 -0.099 0.000 0.842 455 V CB 1.625 33.289 31.823 -0.266 0.000 0.996 455 V HN 0.841 nan 8.190 nan 0.000 0.426 456 S N 6.273 121.933 115.700 -0.066 0.000 2.733 456 S HA 0.585 5.054 4.470 -0.002 0.000 0.307 456 S C -0.467 173.992 174.600 -0.235 0.000 1.127 456 S CA -0.454 57.668 58.200 -0.131 0.000 1.097 456 S CB 0.761 63.887 63.200 -0.124 0.000 1.003 456 S HN 0.549 nan 8.310 nan 0.000 0.477 457 L N 4.511 125.555 121.223 -0.298 0.000 2.287 457 L HA 0.420 4.759 4.340 -0.002 0.000 0.280 457 L C -0.292 176.058 176.870 -0.866 0.000 1.055 457 L CA -0.367 54.109 54.840 -0.607 0.000 0.863 457 L CB 0.268 41.976 42.059 -0.585 0.000 1.245 457 L HN 0.486 nan 8.230 nan 0.000 0.432 458 L N 3.838 124.528 121.223 -0.889 0.000 2.480 458 L HA 0.263 4.602 4.340 -0.002 0.000 0.243 458 L C -0.261 176.396 176.870 -0.355 0.000 1.315 458 L CA -0.314 53.843 54.840 -1.138 0.000 1.231 458 L CB -0.895 40.435 42.059 -1.215 0.000 1.444 458 L HN 0.384 nan 8.230 nan 0.000 0.409 459 F N 0.014 120.039 119.950 0.125 0.000 2.538 459 F HA 0.090 4.615 4.527 -0.003 0.000 0.371 459 F C 1.160 177.170 175.800 0.350 0.000 1.087 459 F CA 0.357 58.486 58.000 0.214 0.000 1.250 459 F CB 0.513 39.607 39.000 0.157 0.000 1.110 459 F HN 0.148 nan 8.300 nan 0.000 0.570 460 S N 1.513 117.455 115.700 0.404 0.000 2.449 460 S HA 0.207 4.676 4.470 -0.002 0.000 0.310 460 S C 0.109 174.753 174.600 0.073 0.000 1.096 460 S CA -0.725 57.605 58.200 0.216 0.000 1.095 460 S CB 1.406 64.733 63.200 0.211 0.000 1.007 460 S HN 0.576 nan 8.310 nan 0.000 0.474 461 S N 3.575 119.232 115.700 -0.072 0.000 4.120 461 S HA 0.110 4.579 4.470 -0.002 0.000 0.196 461 S C 1.386 175.933 174.600 -0.089 0.000 1.447 461 S CA -0.656 57.499 58.200 -0.075 0.000 0.939 461 S CB -1.059 62.070 63.200 -0.118 0.000 1.496 461 S HN 0.628 nan 8.310 nan 0.000 0.460 462 V N 1.915 121.808 119.914 -0.035 0.000 2.323 462 V HA 0.242 4.361 4.120 -0.002 0.000 0.244 462 V C 1.454 177.535 176.094 -0.021 0.000 1.041 462 V CA 0.829 63.116 62.300 -0.023 0.000 1.025 462 V CB -1.777 30.059 31.823 0.023 0.000 0.656 462 V HN 0.759 nan 8.190 nan 0.000 0.451 463 A N 1.667 124.480 122.820 -0.012 0.000 2.536 463 A HA 0.293 4.612 4.320 -0.002 0.000 0.234 463 A C -0.459 177.108 177.584 -0.028 0.000 1.076 463 A CA 0.071 52.099 52.037 -0.015 0.000 0.769 463 A CB -0.961 18.031 19.000 -0.014 0.000 1.020 463 A HN 0.464 nan 8.150 nan 0.000 0.508 464 P HA -0.184 nan 4.420 nan 0.000 0.230 464 P C 0.114 177.391 177.300 -0.039 0.000 0.853 464 P CA 1.454 64.537 63.100 -0.028 0.000 1.096 464 P CB 0.002 31.688 31.700 -0.023 0.000 0.677 465 N N -0.438 118.239 118.700 -0.038 0.000 3.114 465 N HA 0.058 4.797 4.740 -0.002 0.000 0.289 465 N C -0.265 175.216 175.510 -0.047 0.000 1.519 465 N CA 0.030 53.053 53.050 -0.044 0.000 1.026 465 N CB 0.113 38.577 38.487 -0.039 0.000 1.306 465 N HN 0.196 nan 8.380 nan 0.000 0.495 466 D N 0.248 120.618 120.400 -0.051 0.000 2.349 466 D HA 0.029 4.667 4.640 -0.002 0.000 0.214 466 D C 1.577 177.836 176.300 -0.068 0.000 1.063 466 D CA -0.150 53.817 54.000 -0.055 0.000 0.847 466 D CB 0.464 41.237 40.800 -0.045 0.000 0.933 466 D HN 0.174 nan 8.370 nan 0.000 0.513 467 L N 0.816 121.997 121.223 -0.070 0.000 1.994 467 L HA 0.041 4.380 4.340 -0.002 0.000 0.208 467 L C 2.177 179.002 176.870 -0.074 0.000 1.071 467 L CA 2.180 56.975 54.840 -0.076 0.000 0.745 467 L CB -1.120 40.892 42.059 -0.079 0.000 0.892 467 L HN 0.046 nan 8.230 nan 0.000 0.431 468 A N -0.260 122.521 122.820 -0.065 0.000 1.948 468 A HA -0.314 4.005 4.320 -0.002 0.000 0.220 468 A C 2.570 180.110 177.584 -0.073 0.000 1.177 468 A CA 2.185 54.186 52.037 -0.061 0.000 0.636 468 A CB -0.768 18.202 19.000 -0.051 0.000 0.815 468 A HN 0.571 nan 8.150 nan 0.000 0.449 469 R N -0.417 120.034 120.500 -0.081 0.000 2.066 469 R HA -0.048 4.290 4.340 -0.002 0.000 0.232 469 R C 2.026 178.243 176.300 -0.139 0.000 1.131 469 R CA 1.562 57.603 56.100 -0.098 0.000 0.955 469 R CB -0.405 29.839 30.300 -0.094 0.000 0.851 469 R HN 0.520 nan 8.270 nan 0.000 0.432 470 L N 0.651 121.777 121.223 -0.160 0.000 2.083 470 L HA -0.198 4.141 4.340 -0.002 0.000 0.209 470 L C 2.646 179.405 176.870 -0.184 0.000 1.083 470 L CA 1.521 56.214 54.840 -0.245 0.000 0.752 470 L CB -0.409 41.519 42.059 -0.219 0.000 0.899 470 L HN 0.330 nan 8.230 nan 0.000 0.433 471 Q N -0.484 119.251 119.800 -0.109 0.000 2.124 471 Q HA -0.254 4.085 4.340 -0.002 0.000 0.202 471 Q C 2.089 178.044 176.000 -0.074 0.000 0.977 471 Q CA 1.537 57.297 55.803 -0.071 0.000 0.850 471 Q CB -0.056 28.650 28.738 -0.054 0.000 0.901 471 Q HN 0.333 nan 8.270 nan 0.000 0.429 472 E N 1.107 121.256 120.200 -0.085 0.000 2.107 472 E HA -0.204 4.145 4.350 -0.002 0.000 0.191 472 E C 1.871 178.416 176.600 -0.093 0.000 0.982 472 E CA 1.196 57.551 56.400 -0.076 0.000 0.809 472 E CB -0.007 29.650 29.700 -0.072 0.000 0.756 472 E HN 0.311 nan 8.360 nan 0.000 0.459 473 Q N -0.087 119.631 119.800 -0.136 0.000 2.084 473 Q HA -0.182 4.157 4.340 -0.002 0.000 0.202 473 Q C 1.633 177.555 176.000 -0.129 0.000 0.978 473 Q CA 1.702 57.406 55.803 -0.166 0.000 0.844 473 Q CB -0.116 28.457 28.738 -0.275 0.000 0.898 473 Q HN 0.258 nan 8.270 nan 0.000 0.426 474 N N 0.372 119.007 118.700 -0.108 0.000 2.166 474 N HA -0.139 4.600 4.740 -0.002 0.000 0.186 474 N C 1.665 177.158 175.510 -0.028 0.000 1.019 474 N CA 1.130 54.163 53.050 -0.028 0.000 0.856 474 N CB -0.223 38.276 38.487 0.020 0.000 0.993 474 N HN 0.264 nan 8.380 nan 0.000 0.426 475 R N 0.686 121.164 120.500 -0.038 0.000 2.081 475 R HA 0.067 4.406 4.340 -0.002 0.000 0.235 475 R C 2.253 178.539 176.300 -0.024 0.000 1.131 475 R CA 0.787 56.871 56.100 -0.026 0.000 0.960 475 R CB -0.082 30.200 30.300 -0.029 0.000 0.856 475 R HN 0.218 nan 8.270 nan 0.000 0.436 476 R N 0.542 121.017 120.500 -0.041 0.000 2.081 476 R HA -0.105 4.234 4.340 -0.002 0.000 0.235 476 R C 2.322 178.609 176.300 -0.022 0.000 1.131 476 R CA 1.389 57.467 56.100 -0.037 0.000 0.960 476 R CB -0.371 29.888 30.300 -0.069 0.000 0.856 476 R HN 0.245 nan 8.270 nan 0.000 0.436 477 I N 0.918 121.454 120.570 -0.058 0.000 2.163 477 I HA -0.324 3.845 4.170 -0.002 0.000 0.243 477 I C 2.353 178.470 176.117 0.000 0.000 1.085 477 I CA 1.363 62.618 61.300 -0.076 0.000 1.347 477 I CB -0.302 37.642 38.000 -0.094 0.000 1.044 477 I HN 0.167 nan 8.210 nan 0.000 0.408 478 L N 0.133 121.341 121.223 -0.025 0.000 2.046 478 L HA -0.224 4.115 4.340 -0.002 0.000 0.208 478 L C 2.807 179.703 176.870 0.044 0.000 1.077 478 L CA 1.274 56.091 54.840 -0.039 0.000 0.747 478 L CB -0.589 41.462 42.059 -0.014 0.000 0.896 478 L HN 0.238 nan 8.230 nan 0.000 0.432 479 R N 0.017 120.542 120.500 0.041 0.000 2.083 479 R HA -0.250 4.089 4.340 -0.002 0.000 0.237 479 R C 2.456 178.781 176.300 0.042 0.000 1.137 479 R CA 2.069 58.192 56.100 0.038 0.000 0.951 479 R CB -0.471 29.843 30.300 0.024 0.000 0.851 479 R HN 0.256 nan 8.270 nan 0.000 0.434 480 F N 0.979 120.883 119.950 -0.076 0.000 2.091 480 F HA -0.298 4.227 4.527 -0.002 0.000 0.299 480 F C 2.197 177.963 175.800 -0.057 0.000 1.103 480 F CA 1.704 59.647 58.000 -0.095 0.000 1.228 480 F CB -0.665 38.230 39.000 -0.174 0.000 0.984 480 F HN 0.077 nan 8.300 nan 0.000 0.477 481 C N 0.987 120.191 119.300 -0.159 0.000 2.429 481 C HA -0.163 4.296 4.460 -0.002 0.000 0.277 481 C C 2.516 177.477 174.990 -0.050 0.000 1.262 481 C CA 1.189 60.120 59.018 -0.145 0.000 1.733 481 C CB -1.169 26.638 27.740 0.111 0.000 2.010 481 C HN 0.535 nan 8.230 nan 0.000 0.483 482 D N 0.941 121.367 120.400 0.043 0.000 2.117 482 D HA -0.081 4.558 4.640 -0.002 0.000 0.197 482 D C 2.067 178.319 176.300 -0.081 0.000 0.987 482 D CA 1.086 55.096 54.000 0.016 0.000 0.829 482 D CB -0.460 40.359 40.800 0.032 0.000 0.961 482 D HN 0.454 nan 8.370 nan 0.000 0.460 483 L N 0.595 121.742 121.223 -0.127 0.000 2.141 483 L HA -0.060 4.279 4.340 -0.002 0.000 0.209 483 L C 2.293 179.044 176.870 -0.199 0.000 1.094 483 L CA 0.799 55.555 54.840 -0.141 0.000 0.763 483 L CB -0.290 41.699 42.059 -0.117 0.000 0.908 483 L HN -0.039 nan 8.230 nan 0.000 0.437 484 A N -0.449 122.167 122.820 -0.340 0.000 2.208 484 A HA 0.243 4.562 4.320 -0.002 0.000 0.209 484 A C 1.725 179.196 177.584 -0.189 0.000 1.161 484 A CA 0.751 52.584 52.037 -0.340 0.000 0.782 484 A CB -0.430 18.185 19.000 -0.642 0.000 0.816 484 A HN 0.514 nan 8.150 nan 0.000 0.477 485 G N -0.692 108.024 108.800 -0.141 0.000 2.147 485 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.244 485 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.244 485 G C 0.064 174.928 174.900 -0.059 0.000 1.005 485 G CA 0.210 45.257 45.100 -0.088 0.000 0.713 485 G HN 0.489 nan 8.290 nan 0.000 0.515 486 I N 1.044 121.595 120.570 -0.032 0.000 2.436 486 I HA 0.123 4.292 4.170 -0.002 0.000 0.289 486 I C 0.547 176.688 176.117 0.040 0.000 1.083 486 I CA -0.272 61.058 61.300 0.051 0.000 1.372 486 I CB 0.996 39.083 38.000 0.145 0.000 1.408 486 I HN -0.002 nan 8.210 nan 0.000 0.516 487 Q N 7.450 127.236 119.800 -0.025 0.000 3.184 487 Q HA 0.109 4.448 4.340 -0.002 0.000 0.288 487 Q C -0.580 175.344 176.000 -0.127 0.000 1.412 487 Q CA -0.125 55.596 55.803 -0.137 0.000 0.991 487 Q CB -0.696 27.974 28.738 -0.113 0.000 1.688 487 Q HN 0.514 nan 8.270 nan 0.000 0.554 488 Y N -1.235 119.039 120.300 -0.043 0.000 2.340 488 Y HA 0.638 5.186 4.550 -0.002 0.000 0.327 488 Y C 0.042 175.903 175.900 -0.065 0.000 1.321 488 Y CA -1.027 57.050 58.100 -0.040 0.000 1.433 488 Y CB 0.937 39.398 38.460 0.002 0.000 1.373 488 Y HN -0.185 nan 8.280 nan 0.000 0.538 489 K N 1.251 121.762 120.400 0.184 0.000 2.378 489 K HA 0.311 4.630 4.320 -0.002 0.000 0.252 489 K C -0.724 176.034 176.600 0.263 0.000 0.931 489 K CA -0.560 55.784 56.287 0.095 0.000 0.794 489 K CB 1.953 34.433 32.500 -0.034 0.000 1.181 489 K HN 0.989 nan 8.250 nan 0.000 0.425 490 T N -1.058 113.698 114.554 0.337 0.000 2.849 490 T HA 0.441 4.790 4.350 -0.002 0.000 0.284 490 T C -0.475 174.335 174.700 0.185 0.000 1.004 490 T CA -0.389 61.836 62.100 0.208 0.000 1.021 490 T CB 0.746 69.713 68.868 0.165 0.000 1.013 490 T HN 0.440 nan 8.240 nan 0.000 0.527 491 Y N 1.299 121.514 120.300 -0.143 0.000 2.457 491 Y HA 0.479 5.028 4.550 -0.001 0.000 0.343 491 Y C 0.302 176.181 175.900 -0.036 0.000 0.994 491 Y CA -2.161 55.861 58.100 -0.130 0.000 1.031 491 Y CB 0.844 38.996 38.460 -0.512 0.000 1.246 491 Y HN 0.801 nan 8.280 nan 0.000 0.449 492 L N 2.590 123.512 121.223 -0.502 0.000 4.937 492 L HA -0.271 4.068 4.340 -0.002 0.000 0.422 492 L C 0.095 176.859 176.870 -0.177 0.000 1.059 492 L CA 0.988 55.601 54.840 -0.377 0.000 1.111 492 L CB -1.712 40.122 42.059 -0.375 0.000 2.033 492 L HN 0.700 nan 8.230 nan 0.000 0.708 493 A N 0.646 123.348 122.820 -0.197 0.000 2.320 493 A HA 0.831 5.150 4.320 -0.002 0.000 0.334 493 A C 0.205 177.564 177.584 -0.375 0.000 1.147 493 A CA -0.367 51.508 52.037 -0.270 0.000 0.820 493 A CB 1.075 19.873 19.000 -0.337 0.000 1.218 493 A HN 0.330 nan 8.150 nan 0.000 0.482 494 R N 0.962 121.267 120.500 -0.326 0.000 2.437 494 R HA 0.627 4.966 4.340 -0.002 0.000 0.310 494 R C -1.175 174.863 176.300 -0.437 0.000 0.955 494 R CA -0.405 55.599 56.100 -0.159 0.000 0.851 494 R CB 0.261 30.633 30.300 0.120 0.000 1.161 494 R HN 0.768 nan 8.270 nan 0.000 0.446 495 H N 0.560 119.262 119.070 -0.613 0.000 2.505 495 H HA 0.263 4.818 4.556 -0.002 0.000 0.355 495 H C 0.578 175.823 175.328 -0.137 0.000 1.179 495 H CA 0.210 55.880 56.048 -0.632 0.000 1.343 495 H CB 1.701 30.699 29.762 -1.275 0.000 1.501 495 H HN 0.882 nan 8.280 nan 0.000 0.569 496 T N -2.437 112.130 114.554 0.022 0.000 3.132 496 T HA 0.112 4.461 4.350 -0.002 0.000 0.274 496 T C -0.009 174.737 174.700 0.078 0.000 1.011 496 T CA -0.391 61.766 62.100 0.093 0.000 0.899 496 T CB 0.122 69.019 68.868 0.049 0.000 1.089 496 T HN 0.503 nan 8.240 nan 0.000 0.543 497 D N 0.698 121.121 120.400 0.037 0.000 2.757 497 D HA 0.354 4.993 4.640 -0.002 0.000 0.249 497 D C 0.983 177.289 176.300 0.010 0.000 1.168 497 D CA -0.562 53.444 54.000 0.010 0.000 0.870 497 D CB 2.410 43.183 40.800 -0.045 0.000 1.411 497 D HN -0.080 nan 8.370 nan 0.000 0.525 498 R N 2.280 122.795 120.500 0.025 0.000 2.119 498 R HA -0.199 4.139 4.340 -0.002 0.000 0.246 498 R C 1.821 178.015 176.300 -0.177 0.000 1.146 498 R CA 2.701 58.777 56.100 -0.039 0.000 0.962 498 R CB -0.813 29.465 30.300 -0.036 0.000 0.863 498 R HN 0.436 nan 8.270 nan 0.000 0.442 499 S N -0.420 115.189 115.700 -0.152 0.000 2.419 499 S HA -0.118 4.351 4.470 -0.002 0.000 0.233 499 S C 1.436 175.887 174.600 -0.249 0.000 1.016 499 S CA 1.290 59.375 58.200 -0.190 0.000 0.974 499 S CB -0.278 62.843 63.200 -0.130 0.000 0.786 499 S HN 0.363 nan 8.310 nan 0.000 0.492 500 D N 0.598 120.827 120.400 -0.284 0.000 2.149 500 D HA -0.005 4.634 4.640 -0.002 0.000 0.201 500 D C 1.389 177.314 176.300 -0.626 0.000 0.972 500 D CA 0.879 54.586 54.000 -0.488 0.000 0.835 500 D CB -0.331 40.137 40.800 -0.553 0.000 0.966 500 D HN 0.615 nan 8.370 nan 0.000 0.476 501 W N 0.932 121.978 121.300 -0.423 0.000 2.436 501 W HA -0.091 4.568 4.660 -0.002 0.000 0.284 501 W C 2.395 178.704 176.519 -0.350 0.000 1.225 501 W CA 0.128 57.265 57.345 -0.347 0.000 1.271 501 W CB -0.266 29.029 29.460 -0.276 0.000 1.114 501 W HN -0.209 nan 8.180 nan 0.000 0.559 502 V N 0.518 120.188 119.914 -0.407 0.000 2.343 502 V HA -0.297 3.822 4.120 -0.002 0.000 0.247 502 V C 2.334 178.355 176.094 -0.122 0.000 1.051 502 V CA 2.048 64.072 62.300 -0.459 0.000 1.036 502 V CB -0.793 30.695 31.823 -0.558 0.000 0.654 502 V HN 0.173 nan 8.190 nan 0.000 0.451 503 R N -0.723 119.667 120.500 -0.184 0.000 2.092 503 R HA -0.205 4.134 4.340 -0.002 0.000 0.231 503 R C 2.392 178.592 176.300 -0.167 0.000 1.119 503 R CA 1.855 57.852 56.100 -0.171 0.000 0.970 503 R CB -0.363 29.795 30.300 -0.236 0.000 0.864 503 R HN 0.714 nan 8.270 nan 0.000 0.440 504 H N -0.534 118.349 119.070 -0.311 0.000 2.290 504 H HA -0.157 4.398 4.556 -0.002 0.000 0.298 504 H C 1.408 176.605 175.328 -0.218 0.000 1.087 504 H CA 2.590 58.432 56.048 -0.343 0.000 1.291 504 H CB -0.220 29.253 29.762 -0.483 0.000 1.369 504 H HN 0.174 nan 8.280 nan 0.000 0.492 505 F N -0.259 119.745 119.950 0.090 0.000 2.335 505 F HA 0.246 4.771 4.527 -0.003 0.000 0.296 505 F C 1.459 177.292 175.800 0.056 0.000 1.091 505 F CA 1.096 59.153 58.000 0.095 0.000 1.399 505 F CB 0.021 39.187 39.000 0.278 0.000 1.067 505 F HN 0.461 nan 8.300 nan 0.000 0.520 506 G N -0.530 108.407 108.800 0.228 0.000 2.906 506 G HA2 0.189 4.147 3.960 -0.002 0.000 0.686 506 G HA3 0.189 4.147 3.960 -0.002 0.000 0.686 506 G C 0.567 175.605 174.900 0.229 0.000 1.170 506 G CA -0.635 44.549 45.100 0.141 0.000 0.775 506 G HN 0.424 nan 8.290 nan 0.000 0.630 507 A N 1.442 124.358 122.820 0.159 0.000 1.903 507 A HA 0.150 4.469 4.320 -0.002 0.000 0.219 507 A C 2.935 180.679 177.584 0.266 0.000 1.191 507 A CA 3.738 55.900 52.037 0.209 0.000 0.638 507 A CB -0.841 18.233 19.000 0.123 0.000 0.823 507 A HN 2.535 nan 8.150 nan 0.000 0.451 508 A N -0.706 122.224 122.820 0.184 0.000 1.873 508 A HA -0.126 4.192 4.320 -0.002 0.000 0.215 508 A C 2.140 179.828 177.584 0.174 0.000 1.186 508 A CA 1.985 54.115 52.037 0.156 0.000 0.616 508 A CB -0.437 18.627 19.000 0.107 0.000 0.823 508 A HN 0.559 nan 8.150 nan 0.000 0.442 509 K N -1.068 119.454 120.400 0.204 0.000 2.211 509 K HA -0.167 4.152 4.320 -0.002 0.000 0.203 509 K C 1.923 178.661 176.600 0.229 0.000 1.050 509 K CA 1.237 57.650 56.287 0.209 0.000 0.945 509 K CB -0.286 32.366 32.500 0.253 0.000 0.732 509 K HN 0.774 nan 8.250 nan 0.000 0.451 510 W N 1.752 123.127 121.300 0.126 0.000 2.355 510 W HA -0.217 4.441 4.660 -0.003 0.000 0.309 510 W C 1.124 177.730 176.519 0.145 0.000 1.206 510 W CA 1.292 58.699 57.345 0.102 0.000 1.284 510 W CB -0.328 29.230 29.460 0.162 0.000 1.145 510 W HN 0.151 nan 8.180 nan 0.000 0.502 511 N N 0.843 119.570 118.700 0.044 0.000 2.149 511 N HA -0.222 4.517 4.740 -0.002 0.000 0.188 511 N C 1.882 177.327 175.510 -0.109 0.000 1.019 511 N CA 1.748 54.751 53.050 -0.078 0.000 0.857 511 N CB -0.815 37.705 38.487 0.055 0.000 0.997 511 N HN 0.322 nan 8.380 nan 0.000 0.426 512 R N -0.326 120.154 120.500 -0.032 0.000 2.092 512 R HA -0.069 4.270 4.340 -0.002 0.000 0.231 512 R C 2.040 178.292 176.300 -0.080 0.000 1.119 512 R CA 0.810 56.887 56.100 -0.038 0.000 0.970 512 R CB -0.354 29.957 30.300 0.018 0.000 0.864 512 R HN 0.111 nan 8.270 nan 0.000 0.440 513 F N 0.610 120.399 119.950 -0.269 0.000 2.134 513 F HA -0.199 4.327 4.527 -0.002 0.000 0.299 513 F C 1.986 177.662 175.800 -0.206 0.000 1.097 513 F CA 1.449 59.286 58.000 -0.271 0.000 1.264 513 F CB -0.221 38.439 39.000 -0.567 0.000 1.001 513 F HN -0.194 nan 8.300 nan 0.000 0.479 514 V N 0.053 119.794 119.914 -0.288 0.000 2.358 514 V HA -0.291 3.827 4.120 -0.002 0.000 0.246 514 V C 2.351 178.311 176.094 -0.223 0.000 1.047 514 V CA 2.154 64.292 62.300 -0.270 0.000 1.035 514 V CB -0.746 30.872 31.823 -0.342 0.000 0.658 514 V HN 0.387 nan 8.190 nan 0.000 0.452 515 E N -0.203 119.883 120.200 -0.189 0.000 2.085 515 E HA -0.255 4.094 4.350 -0.002 0.000 0.194 515 E C 2.221 178.698 176.600 -0.205 0.000 0.994 515 E CA 1.500 57.800 56.400 -0.167 0.000 0.801 515 E CB -0.058 29.564 29.700 -0.130 0.000 0.743 515 E HN 0.370 nan 8.360 nan 0.000 0.453 516 M N 0.429 119.885 119.600 -0.240 0.000 2.394 516 M HA -0.073 4.406 4.480 -0.002 0.000 0.264 516 M C 2.074 178.332 176.300 -0.070 0.000 1.073 516 M CA 1.074 56.199 55.300 -0.292 0.000 1.111 516 M CB -0.514 31.672 32.600 -0.690 0.000 1.401 516 M HN -0.057 nan 8.290 nan 0.000 0.448 517 K N 1.139 121.514 120.400 -0.042 0.000 2.031 517 K HA -0.026 4.293 4.320 -0.002 0.000 0.205 517 K C 1.564 178.014 176.600 -0.250 0.000 1.049 517 K CA 1.264 57.457 56.287 -0.157 0.000 0.939 517 K CB -0.157 31.924 32.500 -0.699 0.000 0.717 517 K HN 0.190 nan 8.250 nan 0.000 0.438 518 N N 0.762 119.306 118.700 -0.261 0.000 2.289 518 N HA -0.160 4.579 4.740 -0.002 0.000 0.184 518 N C 1.465 176.861 175.510 -0.190 0.000 1.016 518 N CA 1.041 53.962 53.050 -0.213 0.000 0.872 518 N CB -0.029 38.356 38.487 -0.170 0.000 0.973 518 N HN 0.324 nan 8.380 nan 0.000 0.433 519 K N -0.438 119.805 120.400 -0.262 0.000 2.098 519 K HA -0.015 4.304 4.320 -0.002 0.000 0.203 519 K C 0.909 177.254 176.600 -0.424 0.000 1.051 519 K CA 0.789 56.835 56.287 -0.401 0.000 0.957 519 K CB 0.111 32.195 32.500 -0.692 0.000 0.738 519 K HN 0.057 nan 8.250 nan 0.000 0.447 520 Y N -0.614 119.666 120.300 -0.033 0.000 2.481 520 Y HA 0.182 4.730 4.550 -0.002 0.000 0.258 520 Y C 0.043 175.810 175.900 -0.222 0.000 1.103 520 Y CA -0.182 57.887 58.100 -0.051 0.000 1.287 520 Y CB 0.781 39.273 38.460 0.052 0.000 1.108 520 Y HN 0.047 nan 8.280 nan 0.000 0.529 521 D N -0.257 120.061 120.400 -0.135 0.000 3.060 521 D HA 0.165 4.804 4.640 -0.002 0.000 0.326 521 D C -2.213 173.926 176.300 -0.269 0.000 1.253 521 D CA -1.769 52.092 54.000 -0.232 0.000 0.737 521 D CB 0.639 41.331 40.800 -0.180 0.000 1.260 521 D HN -0.089 nan 8.370 nan 0.000 0.542 522 P HA -0.169 nan 4.420 nan 0.000 0.219 522 P C 0.824 178.033 177.300 -0.152 0.000 1.146 522 P CA 0.823 63.806 63.100 -0.193 0.000 0.808 522 P CB 0.343 31.973 31.700 -0.116 0.000 0.779 523 K N -0.540 119.772 120.400 -0.146 0.000 2.444 523 K HA 0.090 4.408 4.320 -0.002 0.000 0.193 523 K C 0.369 176.929 176.600 -0.066 0.000 1.024 523 K CA -0.183 56.055 56.287 -0.081 0.000 1.077 523 K CB -0.102 32.361 32.500 -0.061 0.000 0.833 523 K HN -0.022 nan 8.250 nan 0.000 0.517 524 R N 0.658 121.084 120.500 -0.123 0.000 3.188 524 R HA -0.180 4.159 4.340 -0.002 0.000 0.247 524 R C 0.364 176.651 176.300 -0.021 0.000 0.918 524 R CA 0.080 56.122 56.100 -0.096 0.000 0.629 524 R CB -1.978 28.296 30.300 -0.043 0.000 1.087 524 R HN 0.243 nan 8.270 nan 0.000 0.462 525 L N -0.628 120.574 121.223 -0.035 0.000 2.609 525 L HA 0.212 4.551 4.340 -0.002 0.000 0.230 525 L C 0.793 177.645 176.870 -0.029 0.000 1.064 525 L CA -0.080 54.766 54.840 0.010 0.000 0.873 525 L CB 0.187 42.269 42.059 0.038 0.000 1.139 525 L HN 0.170 nan 8.230 nan 0.000 0.490 526 L N 0.666 121.849 121.223 -0.067 0.000 2.367 526 L HA 0.140 4.479 4.340 -0.002 0.000 0.275 526 L C 0.555 177.371 176.870 -0.091 0.000 1.129 526 L CA -0.209 54.570 54.840 -0.103 0.000 0.839 526 L CB 0.783 42.827 42.059 -0.026 0.000 1.133 526 L HN 0.136 nan 8.230 nan 0.000 0.453 527 S N 2.378 117.986 115.700 -0.153 0.000 3.447 527 S HA -0.099 4.369 4.470 -0.002 0.000 0.371 527 S C -1.196 173.394 174.600 -0.017 0.000 0.951 527 S CA 0.289 58.441 58.200 -0.080 0.000 1.269 527 S CB -0.870 62.320 63.200 -0.016 0.000 0.919 527 S HN 0.710 nan 8.310 nan 0.000 0.516 528 P HA -0.078 nan 4.420 nan 0.000 0.222 528 P C 1.676 179.010 177.300 0.057 0.000 1.147 528 P CA 1.451 64.577 63.100 0.043 0.000 0.790 528 P CB -0.294 31.437 31.700 0.051 0.000 0.780 529 G N 0.279 109.107 108.800 0.047 0.000 2.535 529 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.218 529 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.218 529 G C 1.571 176.502 174.900 0.051 0.000 1.122 529 G CA 0.278 45.406 45.100 0.048 0.000 0.769 529 G HN 0.248 nan 8.290 nan 0.000 0.549 530 Q N 0.122 119.954 119.800 0.053 0.000 2.378 530 Q HA 0.001 4.340 4.340 -0.002 0.000 0.205 530 Q C 0.616 176.714 176.000 0.163 0.000 0.954 530 Q CA 0.699 56.554 55.803 0.087 0.000 0.901 530 Q CB 0.140 28.864 28.738 -0.023 0.000 0.981 530 Q HN 0.432 nan 8.270 nan 0.000 0.483 531 D N -0.969 119.500 120.400 0.115 0.000 2.870 531 D HA -0.203 4.436 4.640 -0.002 0.000 0.228 531 D C 0.620 176.984 176.300 0.106 0.000 1.147 531 D CA 0.531 54.629 54.000 0.164 0.000 0.757 531 D CB -1.385 39.566 40.800 0.251 0.000 1.091 531 D HN 0.340 nan 8.370 nan 0.000 0.429 532 I N -1.413 119.037 120.570 -0.199 0.000 2.364 532 I HA -0.074 4.095 4.170 -0.002 0.000 0.241 532 I C 1.544 177.402 176.117 -0.432 0.000 1.082 532 I CA 0.710 61.646 61.300 -0.606 0.000 1.401 532 I CB -0.088 37.417 38.000 -0.826 0.000 1.126 532 I HN -0.104 nan 8.210 nan 0.000 0.429 533 F N 0.685 120.660 119.950 0.042 0.000 2.668 533 F HA 0.269 4.795 4.527 -0.003 0.000 0.301 533 F C 0.056 175.890 175.800 0.055 0.000 1.106 533 F CA -0.399 57.646 58.000 0.075 0.000 1.289 533 F CB -0.315 38.704 39.000 0.030 0.000 1.006 533 F HN 0.031 nan 8.300 nan 0.000 0.535 534 N N 0.000 118.797 118.700 0.161 0.000 1.763 534 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 534 N CA 0.000 53.125 53.050 0.125 0.000 0.885 534 N CB 0.000 38.551 38.487 0.106 0.000 1.341 534 N HN 0.000 nan 8.380 nan 0.000 0.667