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 1jcs_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.005 177.300 -0.492 0.000 1.155 17 P CA 0.000 62.803 63.100 -0.495 0.000 0.800 17 P CB 0.000 31.153 31.700 -0.912 0.000 0.726 18 V N 0.747 120.461 119.914 -0.332 0.000 2.548 18 V HA -0.047 4.073 4.120 -0.000 0.000 0.249 18 V C 1.278 177.292 176.094 -0.134 0.000 1.055 18 V CA 1.712 63.915 62.300 -0.161 0.000 1.065 18 V CB -0.415 31.401 31.823 -0.012 0.000 0.681 18 V HN 0.651 nan 8.190 nan 0.000 0.462 19 W N -0.422 120.870 121.300 -0.014 0.000 2.800 19 W HA 0.262 4.922 4.660 -0.000 0.000 0.249 19 W C 0.628 177.134 176.519 -0.021 0.000 1.294 19 W CA 0.061 57.397 57.345 -0.015 0.000 1.402 19 W CB -1.223 28.230 29.460 -0.011 0.000 1.126 19 W HN 0.258 nan 8.180 nan 0.000 0.652 20 S N 2.329 117.639 115.700 -0.650 0.000 2.488 20 S HA 0.092 4.562 4.470 -0.000 0.000 0.278 20 S C -0.205 174.260 174.600 -0.225 0.000 1.259 20 S CA 0.048 57.927 58.200 -0.535 0.000 1.061 20 S CB 1.092 63.838 63.200 -0.756 0.000 0.910 20 S HN 0.090 nan 8.310 nan 0.000 0.491 21 E N 4.922 125.055 120.200 -0.111 0.000 2.152 21 E HA 0.231 4.581 4.350 -0.000 0.000 0.285 21 E C -1.425 175.112 176.600 -0.105 0.000 1.043 21 E CA -2.175 54.169 56.400 -0.094 0.000 0.839 21 E CB 0.764 30.424 29.700 -0.067 0.000 1.069 21 E HN 0.240 nan 8.360 nan 0.000 0.399 22 P HA -0.073 nan 4.420 nan 0.000 0.226 22 P C -0.120 177.134 177.300 -0.078 0.000 1.153 22 P CA 0.597 63.641 63.100 -0.094 0.000 0.777 22 P CB 0.350 31.990 31.700 -0.100 0.000 0.794 23 L N -0.001 121.155 121.223 -0.112 0.000 2.260 23 L HA 0.210 4.550 4.340 -0.000 0.000 0.289 23 L C 1.844 178.631 176.870 -0.139 0.000 1.057 23 L CA -0.840 53.922 54.840 -0.131 0.000 0.811 23 L CB 0.624 42.559 42.059 -0.206 0.000 1.184 23 L HN -0.168 nan 8.230 nan 0.000 0.429 24 Y N 2.828 122.991 120.300 -0.228 0.000 2.151 24 Y HA -0.332 4.218 4.550 -0.000 0.000 0.284 24 Y C 2.325 177.928 175.900 -0.495 0.000 1.166 24 Y CA 2.204 60.157 58.100 -0.246 0.000 1.163 24 Y CB 0.288 38.644 38.460 -0.174 0.000 0.974 24 Y HN 0.661 nan 8.280 nan 0.000 0.511 25 S N 0.007 115.297 115.700 -0.684 0.000 2.515 25 S HA -0.016 4.454 4.470 -0.000 0.000 0.231 25 S C 1.544 175.414 174.600 -1.218 0.000 0.987 25 S CA 1.118 58.388 58.200 -1.551 0.000 0.936 25 S CB -0.178 61.822 63.200 -2.001 0.000 0.766 25 S HN 0.476 nan 8.310 nan 0.000 0.528 26 L N 0.332 121.170 121.223 -0.642 0.000 2.640 26 L HA 0.247 4.587 4.340 -0.000 0.000 0.230 26 L C 0.582 177.338 176.870 -0.189 0.000 1.123 26 L CA -0.096 54.543 54.840 -0.335 0.000 0.900 26 L CB -0.084 41.833 42.059 -0.237 0.000 1.146 26 L HN 0.061 nan 8.230 nan 0.000 0.484 27 R N 1.136 121.511 120.500 -0.207 0.000 2.643 27 R HA 0.059 4.399 4.340 -0.000 0.000 0.270 27 R C -1.424 174.862 176.300 -0.024 0.000 1.061 27 R CA -1.374 54.671 56.100 -0.092 0.000 1.107 27 R CB 0.128 30.361 30.300 -0.110 0.000 0.999 27 R HN -0.176 nan 8.270 nan 0.000 0.460 28 P HA -0.183 nan 4.420 nan 0.000 0.216 28 P C 0.247 177.569 177.300 0.036 0.000 1.150 28 P CA 1.289 64.410 63.100 0.036 0.000 0.837 28 P CB 0.277 31.999 31.700 0.037 0.000 0.786 29 E N -2.001 118.209 120.200 0.016 0.000 2.204 29 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 29 E C 1.883 178.472 176.600 -0.018 0.000 0.990 29 E CA 0.936 57.334 56.400 -0.003 0.000 0.821 29 E CB -1.179 28.512 29.700 -0.016 0.000 0.750 29 E HN 0.431 nan 8.360 nan 0.000 0.477 30 H N 0.728 119.718 119.070 -0.132 0.000 2.426 30 H HA -0.077 4.479 4.556 -0.000 0.000 0.298 30 H C 1.855 177.219 175.328 0.060 0.000 1.107 30 H CA 1.695 57.653 56.048 -0.151 0.000 1.298 30 H CB -0.189 29.407 29.762 -0.277 0.000 1.377 30 H HN 0.214 nan 8.280 nan 0.000 0.519 31 A N 0.585 123.473 122.820 0.113 0.000 2.131 31 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 31 A C 2.264 179.862 177.584 0.023 0.000 1.158 31 A CA 1.299 53.414 52.037 0.129 0.000 0.665 31 A CB -0.389 18.682 19.000 0.118 0.000 0.795 31 A HN 0.480 nan 8.150 nan 0.000 0.460 32 R N -0.339 120.150 120.500 -0.018 0.000 2.276 32 R HA -0.023 4.317 4.340 -0.000 0.000 0.203 32 R C 0.717 176.987 176.300 -0.050 0.000 1.017 32 R CA 0.729 56.809 56.100 -0.032 0.000 1.010 32 R CB 0.012 30.296 30.300 -0.027 0.000 0.900 32 R HN 0.461 nan 8.270 nan 0.000 0.469 33 E N 0.653 120.806 120.200 -0.078 0.000 2.502 33 E HA 0.004 4.354 4.350 -0.000 0.000 0.194 33 E C 0.307 176.903 176.600 -0.007 0.000 1.062 33 E CA 0.229 56.597 56.400 -0.053 0.000 0.867 33 E CB 0.102 29.702 29.700 -0.166 0.000 0.888 33 E HN 0.084 nan 8.360 nan 0.000 0.510 34 R N 0.904 121.346 120.500 -0.098 0.000 2.694 34 R HA 0.071 4.411 4.340 -0.000 0.000 0.268 34 R C 0.547 176.757 176.300 -0.149 0.000 1.061 34 R CA -0.592 55.347 56.100 -0.268 0.000 1.133 34 R CB 0.105 30.226 30.300 -0.298 0.000 1.020 34 R HN 0.063 nan 8.270 nan 0.000 0.475 35 L N 2.032 123.159 121.223 -0.160 0.000 2.525 35 L HA -0.057 4.283 4.340 -0.000 0.000 0.278 35 L C -0.129 176.699 176.870 -0.071 0.000 1.218 35 L CA 1.090 55.875 54.840 -0.091 0.000 0.878 35 L CB 0.287 42.294 42.059 -0.086 0.000 1.127 35 L HN 0.412 nan 8.230 nan 0.000 0.492 36 Q N 3.439 123.212 119.800 -0.045 0.000 2.394 36 Q HA 0.181 4.520 4.340 -0.000 0.000 0.259 36 Q C -0.223 175.763 176.000 -0.025 0.000 1.021 36 Q CA -0.369 55.414 55.803 -0.034 0.000 0.805 36 Q CB 1.086 29.809 28.738 -0.025 0.000 1.226 36 Q HN 0.740 nan 8.270 nan 0.000 0.476 37 D N 1.789 122.174 120.400 -0.025 0.000 2.340 37 D HA -0.096 4.544 4.640 -0.000 0.000 0.220 37 D C -0.341 175.952 176.300 -0.011 0.000 1.039 37 D CA 0.034 54.023 54.000 -0.017 0.000 0.866 37 D CB 0.249 41.037 40.800 -0.019 0.000 0.913 37 D HN 0.452 nan 8.370 nan 0.000 0.523 38 D N -0.066 120.327 120.400 -0.011 0.000 2.955 38 D HA -0.239 4.401 4.640 -0.000 0.000 0.226 38 D C -0.098 176.198 176.300 -0.007 0.000 1.178 38 D CA 1.137 55.132 54.000 -0.007 0.000 0.808 38 D CB -1.801 38.997 40.800 -0.003 0.000 1.099 38 D HN 0.283 nan 8.370 nan 0.000 0.421 39 S N -2.895 112.800 115.700 -0.009 0.000 3.380 39 S HA -0.231 4.239 4.470 -0.000 0.000 0.300 39 S C 0.298 174.895 174.600 -0.006 0.000 1.255 39 S CA 0.948 59.143 58.200 -0.008 0.000 0.963 39 S CB -0.875 62.320 63.200 -0.007 0.000 1.106 39 S HN 0.381 nan 8.310 nan 0.000 0.629 40 V N 2.067 121.979 119.914 -0.004 0.000 2.293 40 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 40 V C 0.315 176.408 176.094 -0.002 0.000 1.021 40 V CA -0.489 61.810 62.300 -0.002 0.000 0.815 40 V CB 1.379 33.203 31.823 0.001 0.000 1.025 40 V HN 0.314 nan 8.190 nan 0.000 0.448 41 E N 3.342 123.541 120.200 -0.002 0.000 2.227 41 E HA 0.597 4.947 4.350 -0.000 0.000 0.282 41 E C 0.014 176.615 176.600 0.002 0.000 1.015 41 E CA -0.314 56.085 56.400 -0.002 0.000 0.823 41 E CB 1.868 31.565 29.700 -0.004 0.000 1.081 41 E HN 0.792 nan 8.360 nan 0.000 0.396 42 T N -2.042 112.515 114.554 0.004 0.000 2.865 42 T HA 0.212 4.562 4.350 -0.000 0.000 0.294 42 T C 1.032 175.738 174.700 0.010 0.000 1.119 42 T CA -0.819 61.286 62.100 0.009 0.000 1.007 42 T CB 1.026 69.902 68.868 0.013 0.000 1.225 42 T HN 0.105 nan 8.240 nan 0.000 0.515 43 V N 1.156 121.078 119.914 0.014 0.000 2.324 43 V HA -0.210 3.909 4.120 -0.000 0.000 0.250 43 V C 2.913 179.017 176.094 0.017 0.000 1.060 43 V CA 2.798 65.107 62.300 0.016 0.000 1.042 43 V CB -1.402 30.433 31.823 0.020 0.000 0.650 43 V HN 1.111 nan 8.190 nan 0.000 0.450 44 T N 0.404 114.970 114.554 0.020 0.000 2.652 44 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 44 T C 2.117 176.824 174.700 0.012 0.000 1.039 44 T CA 2.060 64.173 62.100 0.022 0.000 1.153 44 T CB -0.410 68.474 68.868 0.027 0.000 0.863 44 T HN 0.759 nan 8.240 nan 0.000 0.428 45 S N 1.554 117.258 115.700 0.007 0.000 2.368 45 S HA -0.033 4.437 4.470 -0.000 0.000 0.224 45 S C 2.119 176.714 174.600 -0.008 0.000 1.029 45 S CA 0.840 59.038 58.200 -0.003 0.000 0.988 45 S CB -0.853 62.343 63.200 -0.006 0.000 0.838 45 S HN 0.482 nan 8.310 nan 0.000 0.462 46 I N 1.859 122.427 120.570 -0.004 0.000 2.163 46 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 46 I C 2.930 179.045 176.117 -0.004 0.000 1.085 46 I CA 1.551 62.848 61.300 -0.006 0.000 1.347 46 I CB -0.387 37.612 38.000 -0.001 0.000 1.044 46 I HN 0.262 nan 8.210 nan 0.000 0.408 47 E N 0.282 120.485 120.200 0.005 0.000 2.072 47 E HA -0.262 4.088 4.350 -0.000 0.000 0.191 47 E C 2.026 178.631 176.600 0.009 0.000 0.985 47 E CA 1.143 57.549 56.400 0.011 0.000 0.801 47 E CB -0.315 29.398 29.700 0.021 0.000 0.750 47 E HN 0.408 nan 8.360 nan 0.000 0.452 48 Q N 0.842 120.645 119.800 0.004 0.000 2.084 48 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 48 Q C 1.950 177.938 176.000 -0.020 0.000 0.978 48 Q CA 1.954 57.756 55.803 -0.001 0.000 0.844 48 Q CB -0.474 28.260 28.738 -0.006 0.000 0.898 48 Q HN 0.192 nan 8.270 nan 0.000 0.426 49 A N 0.482 123.282 122.820 -0.033 0.000 1.902 49 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 49 A C 2.018 179.574 177.584 -0.046 0.000 1.181 49 A CA 1.781 53.784 52.037 -0.057 0.000 0.623 49 A CB -0.478 18.492 19.000 -0.050 0.000 0.818 49 A HN 0.418 nan 8.150 nan 0.000 0.443 50 K N -0.531 119.855 120.400 -0.023 0.000 2.032 50 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 50 K C 1.879 178.477 176.600 -0.004 0.000 1.048 50 K CA 1.500 57.779 56.287 -0.013 0.000 0.927 50 K CB -0.388 32.109 32.500 -0.004 0.000 0.712 50 K HN 0.299 nan 8.250 nan 0.000 0.441 51 V N 1.794 121.714 119.914 0.009 0.000 2.295 51 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 51 V C 1.984 178.107 176.094 0.049 0.000 1.049 51 V CA 1.783 64.104 62.300 0.035 0.000 1.024 51 V CB -0.410 31.446 31.823 0.054 0.000 0.648 51 V HN 0.337 nan 8.190 nan 0.000 0.447 52 E N -0.351 119.857 120.200 0.013 0.000 2.110 52 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 52 E C 2.271 178.842 176.600 -0.048 0.000 0.988 52 E CA 1.282 57.663 56.400 -0.032 0.000 0.804 52 E CB -0.096 29.423 29.700 -0.302 0.000 0.745 52 E HN 0.664 nan 8.360 nan 0.000 0.458 53 E N 0.973 121.140 120.200 -0.055 0.000 2.072 53 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 53 E C 1.991 178.600 176.600 0.015 0.000 0.985 53 E CA 0.984 57.368 56.400 -0.027 0.000 0.801 53 E CB 0.153 29.836 29.700 -0.030 0.000 0.750 53 E HN -0.103 nan 8.360 nan 0.000 0.452 54 K N 0.700 121.106 120.400 0.010 0.000 2.097 54 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 54 K C 1.895 178.483 176.600 -0.021 0.000 1.050 54 K CA 0.917 57.204 56.287 0.001 0.000 0.938 54 K CB -0.184 32.315 32.500 -0.001 0.000 0.718 54 K HN 0.136 nan 8.250 nan 0.000 0.442 55 I N 0.852 121.418 120.570 -0.006 0.000 2.315 55 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 55 I C 2.210 178.160 176.117 -0.277 0.000 1.117 55 I CA 1.169 62.368 61.300 -0.168 0.000 1.404 55 I CB -1.161 36.804 38.000 -0.057 0.000 1.071 55 I HN 0.317 nan 8.210 nan 0.000 0.419 56 Q N 1.562 121.432 119.800 0.118 0.000 2.096 56 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 56 Q C 2.032 178.134 176.000 0.170 0.000 0.982 56 Q CA 1.811 57.789 55.803 0.292 0.000 0.850 56 Q CB -0.136 28.790 28.738 0.314 0.000 0.901 56 Q HN 0.502 nan 8.270 nan 0.000 0.422 57 E N -1.033 119.223 120.200 0.093 0.000 2.058 57 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 57 E C 1.992 178.624 176.600 0.052 0.000 0.997 57 E CA 1.536 57.995 56.400 0.099 0.000 0.801 57 E CB -0.100 29.628 29.700 0.047 0.000 0.746 57 E HN 0.198 nan 8.360 nan 0.000 0.450 58 V N 1.012 120.902 119.914 -0.041 0.000 2.255 58 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 58 V C 2.033 178.180 176.094 0.089 0.000 1.051 58 V CA 1.879 64.143 62.300 -0.060 0.000 1.018 58 V CB -0.663 31.075 31.823 -0.141 0.000 0.641 58 V HN 0.289 nan 8.190 nan 0.000 0.445 59 F N 0.475 120.469 119.950 0.074 0.000 2.069 59 F HA -0.214 4.312 4.527 -0.000 0.000 0.298 59 F C 2.644 178.489 175.800 0.075 0.000 1.113 59 F CA 1.412 59.462 58.000 0.082 0.000 1.214 59 F CB -0.417 38.602 39.000 0.032 0.000 0.978 59 F HN 0.114 nan 8.300 nan 0.000 0.474 60 S N -0.129 115.704 115.700 0.221 0.000 2.555 60 S HA -0.142 4.328 4.470 -0.000 0.000 0.230 60 S C 2.042 176.581 174.600 -0.102 0.000 0.978 60 S CA 0.842 59.021 58.200 -0.036 0.000 0.934 60 S CB -0.458 62.702 63.200 -0.066 0.000 0.766 60 S HN 0.473 nan 8.310 nan 0.000 0.533 61 S N 1.506 117.190 115.700 -0.026 0.000 2.365 61 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 61 S C 1.604 176.086 174.600 -0.196 0.000 1.039 61 S CA 1.306 59.426 58.200 -0.134 0.000 1.033 61 S CB -0.974 62.044 63.200 -0.303 0.000 0.887 61 S HN 0.603 nan 8.310 nan 0.000 0.447 62 Y N 2.400 122.675 120.300 -0.042 0.000 2.181 62 Y HA -0.035 4.515 4.550 -0.000 0.000 0.288 62 Y C 2.736 178.568 175.900 -0.115 0.000 1.146 62 Y CA 1.466 59.531 58.100 -0.057 0.000 1.164 62 Y CB -0.430 38.004 38.460 -0.044 0.000 0.982 62 Y HN 0.326 nan 8.280 nan 0.000 0.515 63 K N 0.400 120.777 120.400 -0.039 0.000 2.002 63 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 63 K C 1.725 178.133 176.600 -0.321 0.000 1.048 63 K CA 1.794 57.955 56.287 -0.211 0.000 0.930 63 K CB -0.587 31.676 32.500 -0.395 0.000 0.714 63 K HN 0.311 nan 8.250 nan 0.000 0.438 64 F N 1.074 120.930 119.950 -0.157 0.000 2.451 64 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 64 F C 1.708 177.216 175.800 -0.487 0.000 1.101 64 F CA 0.111 57.947 58.000 -0.273 0.000 1.436 64 F CB 0.067 38.993 39.000 -0.124 0.000 1.074 64 F HN 0.165 nan 8.300 nan 0.000 0.553 65 N N -1.329 117.236 118.700 -0.224 0.000 2.325 65 N HA -0.046 4.694 4.740 -0.000 0.000 0.182 65 N C -0.314 175.121 175.510 -0.124 0.000 1.088 65 N CA 0.433 53.383 53.050 -0.167 0.000 0.879 65 N CB -0.201 38.256 38.487 -0.051 0.000 0.983 65 N HN 0.213 nan 8.380 nan 0.000 0.471 66 H N -0.417 118.705 119.070 0.086 0.000 2.819 66 H HA -0.128 4.428 4.556 -0.000 0.000 0.323 66 H C -0.570 174.798 175.328 0.066 0.000 1.243 66 H CA 0.531 56.620 56.048 0.068 0.000 1.163 66 H CB -2.120 27.679 29.762 0.062 0.000 1.493 66 H HN 0.203 nan 8.280 nan 0.000 0.434 67 L N -0.511 120.798 121.223 0.143 0.000 2.371 67 L HA 0.544 4.884 4.340 -0.000 0.000 0.262 67 L C 0.517 177.456 176.870 0.115 0.000 1.006 67 L CA -1.338 53.581 54.840 0.133 0.000 0.818 67 L CB 2.424 44.575 42.059 0.153 0.000 1.354 67 L HN -0.124 nan 8.230 nan 0.000 0.415 68 V N 2.057 122.008 119.914 0.062 0.000 2.488 68 V HA 0.185 4.305 4.120 -0.000 0.000 0.277 68 V C -1.985 174.062 176.094 -0.077 0.000 1.046 68 V CA -1.208 61.085 62.300 -0.012 0.000 0.986 68 V CB 0.731 32.539 31.823 -0.024 0.000 0.989 68 V HN 0.584 nan 8.190 nan 0.000 0.475 69 P HA 0.252 nan 4.420 nan 0.000 0.267 69 P C -0.640 176.429 177.300 -0.386 0.000 1.205 69 P CA -0.114 62.537 63.100 -0.749 0.000 0.765 69 P CB 0.254 31.392 31.700 -0.937 0.000 0.828 70 R N 3.057 123.393 120.500 -0.274 0.000 2.500 70 R HA 0.439 4.779 4.340 -0.000 0.000 0.299 70 R C -1.153 175.111 176.300 -0.060 0.000 1.038 70 R CA -0.678 55.353 56.100 -0.115 0.000 0.903 70 R CB 0.646 30.924 30.300 -0.036 0.000 1.177 70 R HN 0.279 nan 8.270 nan 0.000 0.455 71 L N 4.082 125.263 121.223 -0.070 0.000 2.295 71 L HA 0.383 4.723 4.340 -0.000 0.000 0.288 71 L C -0.535 176.335 176.870 0.001 0.000 1.079 71 L CA -0.925 53.904 54.840 -0.018 0.000 0.830 71 L CB 1.195 43.236 42.059 -0.030 0.000 1.200 71 L HN 0.429 nan 8.230 nan 0.000 0.438 72 V N 4.518 124.445 119.914 0.022 0.000 2.487 72 V HA 0.271 4.391 4.120 -0.000 0.000 0.298 72 V C -0.054 176.059 176.094 0.033 0.000 1.028 72 V CA -0.686 61.625 62.300 0.018 0.000 0.860 72 V CB 2.443 34.272 31.823 0.011 0.000 0.991 72 V HN 0.463 nan 8.190 nan 0.000 0.427 73 L N 5.247 126.495 121.223 0.041 0.000 2.325 73 L HA 0.360 4.700 4.340 -0.000 0.000 0.284 73 L C 0.785 177.675 176.870 0.033 0.000 1.089 73 L CA 0.349 55.239 54.840 0.085 0.000 0.836 73 L CB 0.822 42.939 42.059 0.096 0.000 1.184 73 L HN 0.612 nan 8.230 nan 0.000 0.444 74 Q N 5.406 125.176 119.800 -0.051 0.000 3.025 74 Q HA 0.006 4.346 4.340 -0.000 0.000 0.251 74 Q C 1.109 176.877 176.000 -0.387 0.000 1.348 74 Q CA 0.289 55.935 55.803 -0.261 0.000 0.906 74 Q CB -0.402 28.115 28.738 -0.370 0.000 1.764 74 Q HN 0.709 nan 8.270 nan 0.000 0.535 75 R N 0.524 120.970 120.500 -0.091 0.000 2.112 75 R HA -0.250 4.090 4.340 -0.000 0.000 0.242 75 R C 1.887 178.215 176.300 0.048 0.000 1.137 75 R CA 1.787 57.901 56.100 0.024 0.000 0.944 75 R CB -0.028 30.292 30.300 0.034 0.000 0.857 75 R HN 0.348 nan 8.270 nan 0.000 0.435 76 E N 1.045 121.252 120.200 0.012 0.000 2.058 76 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 76 E C 1.703 178.385 176.600 0.136 0.000 0.997 76 E CA 1.570 58.023 56.400 0.087 0.000 0.801 76 E CB 0.093 29.810 29.700 0.030 0.000 0.746 76 E HN 0.039 nan 8.360 nan 0.000 0.450 77 K N -0.153 120.235 120.400 -0.020 0.000 2.026 77 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 77 K C 2.201 178.860 176.600 0.099 0.000 1.048 77 K CA 1.564 57.838 56.287 -0.022 0.000 0.929 77 K CB -0.701 31.688 32.500 -0.186 0.000 0.713 77 K HN 0.409 nan 8.250 nan 0.000 0.439 78 H N -0.377 118.791 119.070 0.164 0.000 2.387 78 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 78 H C 1.991 177.474 175.328 0.258 0.000 1.090 78 H CA 0.990 57.155 56.048 0.195 0.000 1.332 78 H CB -0.678 29.166 29.762 0.138 0.000 1.386 78 H HN 0.153 nan 8.280 nan 0.000 0.516 79 F N 1.565 121.643 119.950 0.215 0.000 2.134 79 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 79 F C 2.837 178.731 175.800 0.156 0.000 1.097 79 F CA 1.765 59.855 58.000 0.149 0.000 1.264 79 F CB -0.484 38.573 39.000 0.096 0.000 1.001 79 F HN 0.237 nan 8.300 nan 0.000 0.479 80 H N -1.250 117.830 119.070 0.017 0.000 2.321 80 H HA -0.265 4.291 4.556 -0.000 0.000 0.300 80 H C 2.240 177.555 175.328 -0.022 0.000 1.087 80 H CA 2.226 58.224 56.048 -0.083 0.000 1.319 80 H CB -0.968 28.829 29.762 0.060 0.000 1.379 80 H HN 0.425 nan 8.280 nan 0.000 0.501 81 Y N 1.427 121.690 120.300 -0.062 0.000 2.165 81 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 81 Y C 2.591 178.521 175.900 0.050 0.000 1.155 81 Y CA 1.716 59.807 58.100 -0.015 0.000 1.164 81 Y CB -0.658 37.850 38.460 0.080 0.000 0.978 81 Y HN 0.146 nan 8.280 nan 0.000 0.513 82 L N 0.116 121.326 121.223 -0.020 0.000 2.023 82 L HA -0.196 4.144 4.340 -0.000 0.000 0.205 82 L C 2.647 179.328 176.870 -0.314 0.000 1.073 82 L CA 1.846 56.617 54.840 -0.114 0.000 0.745 82 L CB -0.729 41.318 42.059 -0.021 0.000 0.900 82 L HN 0.080 nan 8.230 nan 0.000 0.435 83 K N 0.499 120.612 120.400 -0.477 0.000 2.044 83 K HA -0.281 4.039 4.320 -0.000 0.000 0.210 83 K C 2.362 178.725 176.600 -0.395 0.000 1.049 83 K CA 1.867 57.835 56.287 -0.532 0.000 0.927 83 K CB -0.066 31.903 32.500 -0.885 0.000 0.713 83 K HN 0.127 nan 8.250 nan 0.000 0.443 84 R N -0.398 119.853 120.500 -0.416 0.000 2.062 84 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 84 R C 2.388 178.509 176.300 -0.298 0.000 1.128 84 R CA 1.530 57.433 56.100 -0.328 0.000 0.960 84 R CB -0.614 29.471 30.300 -0.359 0.000 0.855 84 R HN 0.369 nan 8.270 nan 0.000 0.432 85 G N 1.388 109.984 108.800 -0.339 0.000 2.475 85 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 85 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 85 G C 1.266 175.815 174.900 -0.585 0.000 1.125 85 G CA 0.687 45.480 45.100 -0.511 0.000 0.755 85 G HN 0.321 nan 8.290 nan 0.000 0.565 86 L N -0.411 120.525 121.223 -0.478 0.000 2.353 86 L HA 0.185 4.524 4.340 -0.000 0.000 0.220 86 L C 2.460 179.135 176.870 -0.325 0.000 1.133 86 L CA 1.541 56.146 54.840 -0.391 0.000 0.798 86 L CB -0.164 41.717 42.059 -0.295 0.000 0.922 86 L HN 0.135 nan 8.230 nan 0.000 0.445 87 R N -1.405 118.919 120.500 -0.293 0.000 2.164 87 R HA 0.293 4.633 4.340 -0.000 0.000 0.198 87 R C 0.247 176.412 176.300 -0.224 0.000 1.028 87 R CA 0.388 56.347 56.100 -0.236 0.000 1.083 87 R CB 0.308 30.498 30.300 -0.182 0.000 1.026 87 R HN 0.424 nan 8.270 nan 0.000 0.514 88 Q N -0.279 119.393 119.800 -0.214 0.000 2.340 88 Q HA 0.514 4.854 4.340 -0.000 0.000 0.276 88 Q C -1.806 174.105 176.000 -0.149 0.000 1.048 88 Q CA -0.657 55.050 55.803 -0.160 0.000 0.832 88 Q CB 1.871 30.547 28.738 -0.104 0.000 1.373 88 Q HN 0.048 nan 8.270 nan 0.000 0.409 89 L N 1.213 122.376 121.223 -0.101 0.000 2.371 89 L HA 0.610 4.950 4.340 -0.000 0.000 0.262 89 L C 0.235 177.159 176.870 0.090 0.000 1.006 89 L CA -0.883 53.938 54.840 -0.032 0.000 0.818 89 L CB 2.215 44.197 42.059 -0.129 0.000 1.354 89 L HN 0.786 nan 8.230 nan 0.000 0.415 90 T N -3.616 111.057 114.554 0.197 0.000 2.754 90 T HA 0.085 4.435 4.350 -0.000 0.000 0.286 90 T C 0.738 175.557 174.700 0.199 0.000 0.997 90 T CA -0.202 62.004 62.100 0.177 0.000 0.982 90 T CB 0.692 69.666 68.868 0.176 0.000 1.027 90 T HN 0.739 nan 8.240 nan 0.000 0.529 91 D N -0.196 120.280 120.400 0.127 0.000 2.392 91 D HA 0.011 4.651 4.640 -0.000 0.000 0.228 91 D C 1.870 178.223 176.300 0.088 0.000 1.003 91 D CA 0.835 54.897 54.000 0.102 0.000 0.917 91 D CB -0.727 40.112 40.800 0.064 0.000 0.890 91 D HN 0.670 nan 8.370 nan 0.000 0.532 92 A N -0.334 122.543 122.820 0.096 0.000 2.067 92 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 92 A C 1.194 178.670 177.584 -0.179 0.000 1.158 92 A CA 0.591 52.610 52.037 -0.031 0.000 0.661 92 A CB -0.865 18.116 19.000 -0.031 0.000 0.801 92 A HN 0.344 nan 8.150 nan 0.000 0.452 93 Y N 0.200 120.563 120.300 0.106 0.000 2.532 93 Y HA 0.142 4.692 4.550 -0.000 0.000 0.283 93 Y C 1.802 177.760 175.900 0.096 0.000 1.181 93 Y CA 0.047 58.222 58.100 0.125 0.000 1.256 93 Y CB -0.049 38.503 38.460 0.152 0.000 1.112 93 Y HN 0.446 nan 8.280 nan 0.000 0.521 94 E N -0.375 119.899 120.200 0.123 0.000 2.153 94 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 94 E C 2.055 178.707 176.600 0.085 0.000 0.988 94 E CA 1.502 57.960 56.400 0.097 0.000 0.811 94 E CB -0.220 29.518 29.700 0.063 0.000 0.746 94 E HN 0.649 nan 8.360 nan 0.000 0.466 95 C N -0.382 118.954 119.300 0.059 0.000 2.466 95 C HA 0.075 4.535 4.460 -0.000 0.000 0.283 95 C C 1.720 176.768 174.990 0.097 0.000 1.472 95 C CA -0.105 58.945 59.018 0.053 0.000 1.765 95 C CB -1.025 26.723 27.740 0.012 0.000 1.724 95 C HN 0.220 nan 8.230 nan 0.000 0.560 96 L N 0.689 122.009 121.223 0.162 0.000 3.066 96 L HA 0.234 4.573 4.340 -0.000 0.000 0.265 96 L C 1.579 178.564 176.870 0.192 0.000 1.232 96 L CA 0.155 55.130 54.840 0.224 0.000 1.031 96 L CB -0.280 42.017 42.059 0.396 0.000 1.379 96 L HN 0.155 nan 8.230 nan 0.000 0.563 97 D N 1.504 121.990 120.400 0.142 0.000 2.263 97 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 97 D C 1.660 178.021 176.300 0.102 0.000 0.971 97 D CA 1.052 55.121 54.000 0.116 0.000 0.867 97 D CB 0.484 41.336 40.800 0.087 0.000 0.929 97 D HN 0.286 nan 8.370 nan 0.000 0.492 98 A N -0.884 121.991 122.820 0.093 0.000 2.507 98 A HA 0.413 4.733 4.320 -0.000 0.000 0.270 98 A C 0.722 178.360 177.584 0.090 0.000 1.318 98 A CA -0.264 51.813 52.037 0.067 0.000 0.924 98 A CB 0.375 19.394 19.000 0.032 0.000 1.061 98 A HN 0.041 nan 8.150 nan 0.000 0.516 99 S N -0.838 114.950 115.700 0.147 0.000 3.025 99 S HA 0.157 4.627 4.470 -0.000 0.000 0.251 99 S C 1.100 175.813 174.600 0.187 0.000 0.954 99 S CA -0.506 57.832 58.200 0.230 0.000 1.092 99 S CB 0.064 63.417 63.200 0.255 0.000 1.079 99 S HN 0.606 nan 8.310 nan 0.000 0.543 100 R N 1.846 122.439 120.500 0.155 0.000 2.120 100 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 100 R C -1.156 175.209 176.300 0.109 0.000 1.123 100 R CA 1.360 57.552 56.100 0.154 0.000 0.975 100 R CB -1.261 29.201 30.300 0.271 0.000 0.866 100 R HN 0.299 nan 8.270 nan 0.000 0.446 101 P HA -0.136 nan 4.420 nan 0.000 0.221 101 P C 0.344 177.491 177.300 -0.254 0.000 1.150 101 P CA 0.958 63.981 63.100 -0.127 0.000 0.800 101 P CB -0.034 31.502 31.700 -0.273 0.000 0.787 102 W N -0.655 120.446 121.300 -0.331 0.000 2.381 102 W HA -0.054 4.606 4.660 -0.000 0.000 0.301 102 W C 2.070 177.995 176.519 -0.991 0.000 1.205 102 W CA 0.510 57.401 57.345 -0.755 0.000 1.285 102 W CB -0.873 27.973 29.460 -1.025 0.000 1.133 102 W HN -0.142 nan 8.180 nan 0.000 0.521 103 L N -0.988 120.041 121.223 -0.325 0.000 2.083 103 L HA -0.281 4.059 4.340 -0.000 0.000 0.209 103 L C 2.345 179.117 176.870 -0.163 0.000 1.083 103 L CA 1.064 55.828 54.840 -0.128 0.000 0.752 103 L CB -0.958 41.042 42.059 -0.098 0.000 0.899 103 L HN 0.079 nan 8.230 nan 0.000 0.433 104 C N -1.360 117.852 119.300 -0.147 0.000 2.432 104 C HA -0.223 4.237 4.460 -0.000 0.000 0.277 104 C C 2.740 177.669 174.990 -0.102 0.000 1.249 104 C CA 0.618 59.561 59.018 -0.125 0.000 1.725 104 C CB -0.810 26.893 27.740 -0.062 0.000 2.028 104 C HN 0.570 nan 8.230 nan 0.000 0.477 105 Y N 0.684 120.847 120.300 -0.229 0.000 2.145 105 Y HA -0.182 4.368 4.550 -0.000 0.000 0.286 105 Y C 2.324 178.234 175.900 0.015 0.000 1.145 105 Y CA 1.469 59.457 58.100 -0.185 0.000 1.148 105 Y CB -0.707 37.556 38.460 -0.328 0.000 0.981 105 Y HN 0.375 nan 8.280 nan 0.000 0.507 106 W N 0.651 121.791 121.300 -0.266 0.000 2.338 106 W HA -0.219 4.441 4.660 -0.000 0.000 0.304 106 W C 2.453 178.803 176.519 -0.283 0.000 1.212 106 W CA 1.447 58.576 57.345 -0.360 0.000 1.264 106 W CB -1.252 28.204 29.460 -0.006 0.000 1.142 106 W HN 0.212 nan 8.180 nan 0.000 0.512 107 I N -0.235 120.338 120.570 0.005 0.000 2.163 107 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 107 I C 2.459 178.516 176.117 -0.100 0.000 1.081 107 I CA 1.126 62.371 61.300 -0.092 0.000 1.353 107 I CB -0.898 36.938 38.000 -0.273 0.000 1.054 107 I HN -0.178 nan 8.210 nan 0.000 0.407 108 L N -0.051 121.107 121.223 -0.110 0.000 2.042 108 L HA -0.274 4.065 4.340 -0.000 0.000 0.210 108 L C 2.764 179.603 176.870 -0.051 0.000 1.076 108 L CA 1.559 56.355 54.840 -0.073 0.000 0.749 108 L CB -0.908 41.117 42.059 -0.057 0.000 0.893 108 L HN 0.345 nan 8.230 nan 0.000 0.432 109 H N -0.268 118.663 119.070 -0.232 0.000 2.357 109 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 109 H C 2.406 177.633 175.328 -0.169 0.000 1.082 109 H CA 1.702 57.608 56.048 -0.238 0.000 1.342 109 H CB 0.063 29.526 29.762 -0.498 0.000 1.389 109 H HN 0.112 nan 8.280 nan 0.000 0.511 110 S N -0.055 115.509 115.700 -0.225 0.000 2.368 110 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 110 S C 2.304 176.836 174.600 -0.112 0.000 1.030 110 S CA 1.257 59.335 58.200 -0.204 0.000 0.999 110 S CB -0.269 62.882 63.200 -0.081 0.000 0.844 110 S HN 0.359 nan 8.310 nan 0.000 0.459 111 L N 1.240 122.433 121.223 -0.050 0.000 2.056 111 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 111 L C 2.751 179.616 176.870 -0.008 0.000 1.078 111 L CA 1.511 56.367 54.840 0.027 0.000 0.749 111 L CB -0.559 41.528 42.059 0.045 0.000 0.901 111 L HN 0.435 nan 8.230 nan 0.000 0.433 112 E N 0.879 121.046 120.200 -0.056 0.000 2.077 112 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 112 E C 2.339 178.892 176.600 -0.078 0.000 0.989 112 E CA 1.182 57.553 56.400 -0.047 0.000 0.800 112 E CB -0.121 29.568 29.700 -0.018 0.000 0.746 112 E HN 0.467 nan 8.360 nan 0.000 0.452 113 L N 0.561 121.673 121.223 -0.184 0.000 2.046 113 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 113 L C 2.482 179.321 176.870 -0.052 0.000 1.077 113 L CA 0.907 55.653 54.840 -0.157 0.000 0.747 113 L CB -0.218 41.672 42.059 -0.282 0.000 0.896 113 L HN 0.273 nan 8.230 nan 0.000 0.432 114 L N -0.674 120.530 121.223 -0.032 0.000 2.610 114 L HA -0.050 4.290 4.340 -0.000 0.000 0.232 114 L C 0.394 177.267 176.870 0.006 0.000 1.149 114 L CA 0.032 54.882 54.840 0.018 0.000 0.872 114 L CB -0.363 41.740 42.059 0.074 0.000 0.992 114 L HN 0.276 nan 8.230 nan 0.000 0.447 115 D N 1.047 121.444 120.400 -0.005 0.000 2.723 115 D HA -0.171 4.469 4.640 -0.000 0.000 0.236 115 D C -0.075 176.210 176.300 -0.024 0.000 1.138 115 D CA 0.610 54.604 54.000 -0.011 0.000 0.676 115 D CB -0.351 40.443 40.800 -0.011 0.000 1.069 115 D HN 0.255 nan 8.370 nan 0.000 0.430 116 E N 0.939 121.139 120.200 -0.001 0.000 2.156 116 E HA 0.388 4.738 4.350 -0.000 0.000 0.279 116 E C -1.881 174.735 176.600 0.027 0.000 0.965 116 E CA -1.567 54.832 56.400 -0.000 0.000 0.789 116 E CB 1.219 30.989 29.700 0.117 0.000 1.098 116 E HN 0.273 nan 8.360 nan 0.000 0.397 117 P HA 0.200 nan 4.420 nan 0.000 0.272 117 P C -0.268 177.051 177.300 0.032 0.000 1.223 117 P CA -0.359 62.747 63.100 0.011 0.000 0.784 117 P CB 0.920 32.617 31.700 -0.005 0.000 0.923 118 I N 3.194 123.768 120.570 0.008 0.000 2.306 118 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 118 I C -2.074 174.037 176.117 -0.011 0.000 1.036 118 I CA -2.899 58.400 61.300 -0.001 0.000 1.221 118 I CB 0.023 38.009 38.000 -0.024 0.000 1.385 118 I HN 0.148 nan 8.210 nan 0.000 0.472 119 P HA 0.067 nan 4.420 nan 0.000 0.266 119 P C 0.692 177.977 177.300 -0.025 0.000 1.195 119 P CA -0.223 62.872 63.100 -0.009 0.000 0.768 119 P CB 0.662 32.361 31.700 -0.002 0.000 0.838 120 Q N 1.592 121.375 119.800 -0.028 0.000 2.364 120 Q HA -0.084 4.255 4.340 -0.000 0.000 0.209 120 Q C 1.783 177.763 176.000 -0.034 0.000 0.977 120 Q CA 1.245 57.026 55.803 -0.036 0.000 0.885 120 Q CB -0.401 28.316 28.738 -0.035 0.000 0.941 120 Q HN 0.593 nan 8.270 nan 0.000 0.464 121 I N -0.502 120.051 120.570 -0.029 0.000 2.252 121 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 121 I C 2.065 178.160 176.117 -0.037 0.000 1.102 121 I CA 0.647 61.930 61.300 -0.029 0.000 1.385 121 I CB -0.068 37.917 38.000 -0.025 0.000 1.064 121 I HN -0.013 nan 8.210 nan 0.000 0.414 122 V N 0.990 120.880 119.914 -0.041 0.000 2.261 122 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 122 V C 2.716 178.779 176.094 -0.052 0.000 1.047 122 V CA 2.000 64.268 62.300 -0.053 0.000 1.015 122 V CB -1.108 30.682 31.823 -0.056 0.000 0.642 122 V HN 0.487 nan 8.190 nan 0.000 0.446 123 A N -0.613 122.176 122.820 -0.052 0.000 1.892 123 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 123 A C 2.474 180.026 177.584 -0.052 0.000 1.188 123 A CA 2.947 54.948 52.037 -0.060 0.000 0.631 123 A CB -1.203 17.754 19.000 -0.071 0.000 0.822 123 A HN 0.482 nan 8.150 nan 0.000 0.447 124 T N -0.996 113.532 114.554 -0.044 0.000 2.788 124 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 124 T C 1.535 176.226 174.700 -0.015 0.000 1.044 124 T CA 1.853 63.933 62.100 -0.032 0.000 1.139 124 T CB -0.553 68.297 68.868 -0.028 0.000 0.867 124 T HN 0.468 nan 8.240 nan 0.000 0.454 125 D N 0.390 120.780 120.400 -0.017 0.000 2.144 125 D HA -0.026 4.614 4.640 -0.000 0.000 0.200 125 D C 2.188 178.507 176.300 0.032 0.000 0.978 125 D CA 0.634 54.633 54.000 -0.002 0.000 0.833 125 D CB -0.406 40.376 40.800 -0.030 0.000 0.961 125 D HN 0.292 nan 8.370 nan 0.000 0.470 126 V N 0.357 120.277 119.914 0.011 0.000 2.358 126 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 126 V C 2.615 178.749 176.094 0.067 0.000 1.047 126 V CA 1.133 63.462 62.300 0.049 0.000 1.035 126 V CB -0.390 31.424 31.823 -0.015 0.000 0.658 126 V HN 0.296 nan 8.190 nan 0.000 0.452 127 C N -0.415 118.892 119.300 0.012 0.000 2.413 127 C HA -0.230 4.230 4.460 -0.000 0.000 0.277 127 C C 2.860 177.865 174.990 0.025 0.000 1.228 127 C CA 1.269 60.287 59.018 -0.000 0.000 1.731 127 C CB -1.120 26.608 27.740 -0.021 0.000 2.042 127 C HN 0.596 nan 8.230 nan 0.000 0.468 128 Q N -0.649 119.174 119.800 0.040 0.000 2.135 128 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 128 Q C 1.998 178.040 176.000 0.071 0.000 0.981 128 Q CA 1.754 57.585 55.803 0.045 0.000 0.856 128 Q CB -0.366 28.398 28.738 0.044 0.000 0.902 128 Q HN 0.775 nan 8.270 nan 0.000 0.425 129 F N 1.015 120.948 119.950 -0.028 0.000 2.102 129 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 129 F C 1.633 177.429 175.800 -0.007 0.000 1.105 129 F CA 1.233 59.216 58.000 -0.028 0.000 1.239 129 F CB -0.188 38.781 39.000 -0.052 0.000 0.991 129 F HN -0.039 nan 8.300 nan 0.000 0.474 130 L N -0.006 121.078 121.223 -0.232 0.000 2.201 130 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 130 L C 2.342 179.190 176.870 -0.036 0.000 1.105 130 L CA 1.381 56.069 54.840 -0.255 0.000 0.775 130 L CB -0.753 41.202 42.059 -0.172 0.000 0.913 130 L HN 0.215 nan 8.230 nan 0.000 0.440 131 E N 0.303 120.490 120.200 -0.022 0.000 2.077 131 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 131 E C 2.327 178.879 176.600 -0.080 0.000 0.989 131 E CA 1.021 57.420 56.400 -0.003 0.000 0.800 131 E CB -0.097 29.599 29.700 -0.006 0.000 0.746 131 E HN 0.476 nan 8.360 nan 0.000 0.452 132 L N 0.208 121.351 121.223 -0.133 0.000 2.191 132 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 132 L C 2.320 179.071 176.870 -0.197 0.000 1.103 132 L CA 0.543 55.294 54.840 -0.148 0.000 0.769 132 L CB -0.224 41.764 42.059 -0.119 0.000 0.908 132 L HN 0.305 nan 8.230 nan 0.000 0.438 133 C N -1.057 118.077 119.300 -0.276 0.000 2.514 133 C HA -0.039 4.421 4.460 -0.000 0.000 0.271 133 C C 1.546 176.470 174.990 -0.109 0.000 1.399 133 C CA -0.419 58.476 59.018 -0.205 0.000 1.765 133 C CB -0.804 26.774 27.740 -0.269 0.000 1.893 133 C HN 0.411 nan 8.230 nan 0.000 0.531 134 Q N 1.585 121.286 119.800 -0.165 0.000 2.313 134 Q HA 0.171 4.511 4.340 -0.000 0.000 0.266 134 Q C 0.277 176.065 176.000 -0.354 0.000 0.989 134 Q CA 0.148 55.646 55.803 -0.507 0.000 0.890 134 Q CB 0.632 28.973 28.738 -0.662 0.000 1.200 134 Q HN 0.458 nan 8.270 nan 0.000 0.396 135 S N 3.793 119.261 115.700 -0.386 0.000 2.580 135 S HA 0.247 4.717 4.470 -0.000 0.000 0.274 135 S C -1.819 172.657 174.600 -0.206 0.000 1.329 135 S CA -1.389 56.666 58.200 -0.242 0.000 1.036 135 S CB 0.755 63.813 63.200 -0.237 0.000 0.919 135 S HN 0.613 nan 8.310 nan 0.000 0.515 136 P HA 0.013 nan 4.420 nan 0.000 0.222 136 P C 0.104 177.359 177.300 -0.075 0.000 1.147 136 P CA 0.915 63.964 63.100 -0.085 0.000 0.790 136 P CB 0.107 31.780 31.700 -0.044 0.000 0.780 137 D N -1.055 119.301 120.400 -0.074 0.000 2.363 137 D HA 0.267 4.907 4.640 -0.000 0.000 0.214 137 D C 0.937 177.202 176.300 -0.057 0.000 1.093 137 D CA 0.469 54.448 54.000 -0.035 0.000 0.837 137 D CB 0.411 41.222 40.800 0.018 0.000 0.948 137 D HN 0.085 nan 8.370 nan 0.000 0.507 138 G N -0.085 108.606 108.800 -0.181 0.000 2.617 138 G HA2 0.383 4.343 3.960 -0.000 0.000 0.686 138 G HA3 0.383 4.343 3.960 -0.000 0.000 0.686 138 G C 0.176 174.748 174.900 -0.546 0.000 1.214 138 G CA -0.430 44.528 45.100 -0.237 0.000 0.796 138 G HN 0.596 nan 8.290 nan 0.000 0.654 139 G N -0.850 107.633 108.800 -0.528 0.000 2.781 139 G HA2 0.352 4.312 3.960 -0.000 0.000 0.683 139 G HA3 0.352 4.312 3.960 -0.000 0.000 0.683 139 G C -0.477 174.034 174.900 -0.648 0.000 1.390 139 G CA 0.093 44.851 45.100 -0.571 0.000 0.850 139 G HN 1.743 nan 8.290 nan 0.000 0.557 140 F N 0.492 120.302 119.950 -0.233 0.000 2.522 140 F HA 0.716 5.243 4.527 -0.000 0.000 0.324 140 F C 1.154 176.875 175.800 -0.131 0.000 1.077 140 F CA 0.250 58.138 58.000 -0.186 0.000 0.944 140 F CB 2.074 40.964 39.000 -0.183 0.000 1.175 140 F HN 0.797 nan 8.300 nan 0.000 0.468 141 G N 0.006 108.835 108.800 0.048 0.000 2.557 141 G HA2 0.437 4.397 3.960 -0.000 0.000 0.302 141 G HA3 0.437 4.397 3.960 -0.000 0.000 0.302 141 G C 0.825 175.743 174.900 0.029 0.000 1.311 141 G CA -0.421 44.702 45.100 0.038 0.000 1.030 141 G HN 0.888 nan 8.290 nan 0.000 0.509 142 G N -1.810 107.004 108.800 0.024 0.000 2.744 142 G HA2 0.457 4.417 3.960 -0.000 0.000 0.211 142 G HA3 0.457 4.417 3.960 -0.000 0.000 0.211 142 G C 0.655 175.588 174.900 0.055 0.000 1.143 142 G CA 0.980 46.103 45.100 0.038 0.000 0.788 142 G HN 1.264 nan 8.290 nan 0.000 0.534 143 G N -1.324 107.485 108.800 0.016 0.000 2.451 143 G HA2 0.471 4.431 3.960 -0.000 0.000 0.292 143 G HA3 0.471 4.431 3.960 -0.000 0.000 0.292 143 G C -3.465 171.411 174.900 -0.040 0.000 1.427 143 G CA -0.950 44.173 45.100 0.039 0.000 0.792 143 G HN -0.104 nan 8.290 nan 0.000 0.498 144 P HA 0.354 nan 4.420 nan 0.000 0.267 144 P C 0.970 178.237 177.300 -0.056 0.000 1.209 144 P CA 1.893 64.957 63.100 -0.059 0.000 0.763 144 P CB 1.069 32.766 31.700 -0.005 0.000 0.816 145 G N 1.879 110.627 108.800 -0.087 0.000 2.176 145 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 145 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 145 G C 0.065 174.855 174.900 -0.183 0.000 0.979 145 G CA -0.314 44.717 45.100 -0.116 0.000 0.641 145 G HN 0.561 nan 8.290 nan 0.000 0.530 146 Q N -0.515 119.199 119.800 -0.143 0.000 2.227 146 Q HA 0.565 4.905 4.340 -0.000 0.000 0.245 146 Q C -0.117 175.809 176.000 -0.123 0.000 0.926 146 Q CA -0.772 54.933 55.803 -0.164 0.000 0.895 146 Q CB 1.004 29.705 28.738 -0.062 0.000 1.230 146 Q HN 0.457 nan 8.270 nan 0.000 0.450 147 Y N 2.051 122.357 120.300 0.010 0.000 2.578 147 Y HA 0.040 4.590 4.550 -0.000 0.000 0.339 147 Y C -1.556 174.353 175.900 0.015 0.000 1.231 147 Y CA -1.599 56.513 58.100 0.020 0.000 1.461 147 Y CB 0.076 38.582 38.460 0.077 0.000 1.323 147 Y HN 0.433 nan 8.280 nan 0.000 0.590 148 P HA -0.030 nan 4.420 nan 0.000 0.269 148 P C -0.990 176.453 177.300 0.239 0.000 1.215 148 P CA 0.541 63.616 63.100 -0.041 0.000 0.780 148 P CB 1.027 32.386 31.700 -0.568 0.000 0.898 149 H N 1.700 120.864 119.070 0.158 0.000 3.038 149 H HA 0.184 4.739 4.556 -0.000 0.000 0.362 149 H C 0.675 176.190 175.328 0.311 0.000 1.167 149 H CA -0.567 55.658 56.048 0.296 0.000 1.197 149 H CB 1.462 31.315 29.762 0.152 0.000 1.840 149 H HN 0.205 nan 8.280 nan 0.000 0.540 150 L N 2.735 124.203 121.223 0.409 0.000 2.131 150 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 150 L C 2.471 179.578 176.870 0.395 0.000 1.092 150 L CA 1.528 56.579 54.840 0.352 0.000 0.759 150 L CB -0.413 41.748 42.059 0.169 0.000 0.903 150 L HN 0.674 nan 8.230 nan 0.000 0.435 151 A N 0.567 123.779 122.820 0.653 0.000 1.855 151 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 151 A C -0.123 177.589 177.584 0.213 0.000 1.191 151 A CA 1.349 53.748 52.037 0.604 0.000 0.613 151 A CB -1.723 17.773 19.000 0.826 0.000 0.829 151 A HN 0.254 nan 8.150 nan 0.000 0.442 152 P HA -0.069 nan 4.420 nan 0.000 0.218 152 P C 1.360 178.544 177.300 -0.195 0.000 1.149 152 P CA 1.641 64.646 63.100 -0.158 0.000 0.817 152 P CB -0.182 31.531 31.700 0.022 0.000 0.785 153 T N -1.487 113.092 114.554 0.042 0.000 2.777 153 T HA -0.200 4.149 4.350 -0.000 0.000 0.266 153 T C 1.626 176.257 174.700 -0.116 0.000 1.040 153 T CA 1.221 63.383 62.100 0.104 0.000 1.141 153 T CB -1.047 67.980 68.868 0.264 0.000 0.868 153 T HN 0.143 nan 8.240 nan 0.000 0.444 154 Y N 2.112 122.264 120.300 -0.246 0.000 2.145 154 Y HA -0.003 4.547 4.550 -0.000 0.000 0.286 154 Y C 2.482 178.018 175.900 -0.607 0.000 1.145 154 Y CA 1.012 58.899 58.100 -0.355 0.000 1.148 154 Y CB -0.680 37.617 38.460 -0.273 0.000 0.981 154 Y HN 0.156 nan 8.280 nan 0.000 0.507 155 A N 0.949 123.214 122.820 -0.926 0.000 1.902 155 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 155 A C 2.443 179.540 177.584 -0.812 0.000 1.181 155 A CA 1.922 53.240 52.037 -1.198 0.000 0.623 155 A CB -1.570 16.520 19.000 -1.516 0.000 0.818 155 A HN 0.664 nan 8.150 nan 0.000 0.443 156 A N -0.493 121.877 122.820 -0.751 0.000 1.883 156 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 156 A C 2.251 179.396 177.584 -0.732 0.000 1.186 156 A CA 1.933 53.468 52.037 -0.837 0.000 0.624 156 A CB -1.068 17.046 19.000 -1.478 0.000 0.822 156 A HN 0.410 nan 8.150 nan 0.000 0.444 157 V N 0.776 120.292 119.914 -0.663 0.000 2.295 157 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 157 V C 2.390 178.258 176.094 -0.377 0.000 1.049 157 V CA 2.296 64.341 62.300 -0.426 0.000 1.024 157 V CB -1.077 30.560 31.823 -0.310 0.000 0.648 157 V HN 0.556 nan 8.190 nan 0.000 0.447 158 N N 0.366 118.739 118.700 -0.546 0.000 2.104 158 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 158 N C 1.846 177.233 175.510 -0.205 0.000 1.024 158 N CA 1.745 54.522 53.050 -0.455 0.000 0.853 158 N CB -0.595 37.375 38.487 -0.861 0.000 1.008 158 N HN 0.487 nan 8.380 nan 0.000 0.424 159 A N 0.777 123.469 122.820 -0.212 0.000 1.902 159 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 159 A C 2.331 179.844 177.584 -0.117 0.000 1.181 159 A CA 1.016 52.995 52.037 -0.097 0.000 0.623 159 A CB -0.778 18.142 19.000 -0.134 0.000 0.818 159 A HN 0.266 nan 8.150 nan 0.000 0.443 160 L N -0.953 120.171 121.223 -0.165 0.000 2.131 160 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 160 L C 2.601 179.425 176.870 -0.077 0.000 1.092 160 L CA 1.052 55.820 54.840 -0.119 0.000 0.759 160 L CB -0.626 41.378 42.059 -0.092 0.000 0.903 160 L HN 0.483 nan 8.230 nan 0.000 0.435 161 C N -0.291 119.000 119.300 -0.015 0.000 2.450 161 C HA -0.061 4.399 4.460 -0.000 0.000 0.279 161 C C 2.712 177.708 174.990 0.010 0.000 1.335 161 C CA 0.193 59.261 59.018 0.083 0.000 1.749 161 C CB -0.509 27.265 27.740 0.057 0.000 1.963 161 C HN 0.425 nan 8.230 nan 0.000 0.501 162 I N 0.648 121.210 120.570 -0.015 0.000 2.252 162 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 162 I C 2.275 178.364 176.117 -0.047 0.000 1.102 162 I CA 1.667 62.970 61.300 0.004 0.000 1.385 162 I CB -0.309 37.714 38.000 0.037 0.000 1.064 162 I HN 0.304 nan 8.210 nan 0.000 0.414 163 I N 0.537 121.050 120.570 -0.094 0.000 2.202 163 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 163 I C 1.827 177.815 176.117 -0.214 0.000 1.091 163 I CA 1.352 62.570 61.300 -0.137 0.000 1.368 163 I CB -0.763 37.147 38.000 -0.151 0.000 1.058 163 I HN 0.449 nan 8.210 nan 0.000 0.410 164 G N 1.672 110.268 108.800 -0.341 0.000 2.225 164 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 164 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 164 G C 0.412 174.837 174.900 -0.791 0.000 1.024 164 G CA 0.601 45.351 45.100 -0.584 0.000 0.784 164 G HN 0.528 nan 8.290 nan 0.000 0.507 165 T N -3.593 110.542 114.554 -0.699 0.000 2.912 165 T HA 0.654 5.003 4.350 -0.000 0.000 0.280 165 T C 1.100 175.439 174.700 -0.602 0.000 0.989 165 T CA 0.381 62.186 62.100 -0.491 0.000 0.995 165 T CB 1.944 70.649 68.868 -0.272 0.000 1.077 165 T HN 0.102 nan 8.240 nan 0.000 0.531 166 E N 0.064 120.086 120.200 -0.296 0.000 2.110 166 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 166 E C 1.965 178.493 176.600 -0.120 0.000 0.988 166 E CA 1.677 57.982 56.400 -0.159 0.000 0.804 166 E CB -0.226 29.444 29.700 -0.050 0.000 0.745 166 E HN 0.836 nan 8.360 nan 0.000 0.458 167 E N -0.434 119.688 120.200 -0.130 0.000 2.031 167 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 167 E C 1.978 178.528 176.600 -0.083 0.000 0.994 167 E CA 1.121 57.474 56.400 -0.077 0.000 0.800 167 E CB -0.265 29.390 29.700 -0.074 0.000 0.752 167 E HN 0.326 nan 8.360 nan 0.000 0.447 168 A N 0.575 123.284 122.820 -0.184 0.000 1.873 168 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 168 A C 2.058 179.626 177.584 -0.026 0.000 1.193 168 A CA 1.794 53.730 52.037 -0.168 0.000 0.629 168 A CB -1.321 17.492 19.000 -0.312 0.000 0.826 168 A HN 0.525 nan 8.150 nan 0.000 0.447 169 Y N 0.025 120.291 120.300 -0.058 0.000 2.165 169 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 169 Y C 2.437 178.437 175.900 0.166 0.000 1.155 169 Y CA 0.889 59.010 58.100 0.036 0.000 1.164 169 Y CB -0.315 37.871 38.460 -0.456 0.000 0.978 169 Y HN 0.307 nan 8.280 nan 0.000 0.513 170 N N -0.061 118.774 118.700 0.225 0.000 2.443 170 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 170 N C 1.705 177.309 175.510 0.157 0.000 1.037 170 N CA 0.705 53.867 53.050 0.187 0.000 0.896 170 N CB -0.383 38.170 38.487 0.110 0.000 0.959 170 N HN 0.175 nan 8.380 nan 0.000 0.442 171 V N 1.273 121.276 119.914 0.148 0.000 2.427 171 V HA -0.098 4.022 4.120 -0.000 0.000 0.248 171 V C 1.102 177.303 176.094 0.178 0.000 1.051 171 V CA 0.706 63.088 62.300 0.136 0.000 1.048 171 V CB -0.242 31.660 31.823 0.131 0.000 0.666 171 V HN 0.201 nan 8.190 nan 0.000 0.456 172 I N 2.233 122.947 120.570 0.239 0.000 2.505 172 I HA 0.022 4.192 4.170 -0.000 0.000 0.287 172 I C 0.543 176.727 176.117 0.112 0.000 1.104 172 I CA 0.209 61.640 61.300 0.218 0.000 1.387 172 I CB -0.097 38.022 38.000 0.198 0.000 1.404 172 I HN 0.163 nan 8.210 nan 0.000 0.528 173 N N 7.155 125.863 118.700 0.013 0.000 2.482 173 N HA 0.128 4.868 4.740 -0.000 0.000 0.242 173 N C 0.956 176.463 175.510 -0.006 0.000 1.100 173 N CA -0.023 53.024 53.050 -0.005 0.000 0.946 173 N CB 0.515 38.964 38.487 -0.065 0.000 1.227 173 N HN 0.445 nan 8.380 nan 0.000 0.508 174 R N 2.109 122.624 120.500 0.026 0.000 2.081 174 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 174 R C 0.977 177.291 176.300 0.022 0.000 1.131 174 R CA 1.472 57.577 56.100 0.009 0.000 0.960 174 R CB 0.153 30.464 30.300 0.017 0.000 0.856 174 R HN 0.492 nan 8.270 nan 0.000 0.436 175 E N 0.647 120.869 120.200 0.037 0.000 2.051 175 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 175 E C 1.849 178.478 176.600 0.047 0.000 0.991 175 E CA 1.113 57.542 56.400 0.050 0.000 0.799 175 E CB 0.042 29.771 29.700 0.048 0.000 0.748 175 E HN 0.045 nan 8.360 nan 0.000 0.449 176 K N 0.269 120.683 120.400 0.023 0.000 2.057 176 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 176 K C 2.137 178.764 176.600 0.045 0.000 1.050 176 K CA 0.533 56.831 56.287 0.019 0.000 0.935 176 K CB -0.582 31.897 32.500 -0.034 0.000 0.715 176 K HN 0.128 nan 8.250 nan 0.000 0.439 177 L N 1.440 122.673 121.223 0.017 0.000 2.012 177 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 177 L C 2.179 179.105 176.870 0.093 0.000 1.073 177 L CA 1.444 56.315 54.840 0.051 0.000 0.748 177 L CB -0.814 41.254 42.059 0.014 0.000 0.891 177 L HN 0.090 nan 8.230 nan 0.000 0.431 178 L N -0.558 120.698 121.223 0.055 0.000 2.046 178 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 178 L C 2.503 179.446 176.870 0.122 0.000 1.077 178 L CA 1.807 56.670 54.840 0.038 0.000 0.747 178 L CB -0.812 41.281 42.059 0.058 0.000 0.896 178 L HN 0.455 nan 8.230 nan 0.000 0.432 179 Q N -1.946 117.952 119.800 0.163 0.000 2.096 179 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 179 Q C 2.166 178.277 176.000 0.184 0.000 0.982 179 Q CA 2.114 58.030 55.803 0.189 0.000 0.850 179 Q CB -0.428 28.382 28.738 0.121 0.000 0.901 179 Q HN 0.612 nan 8.270 nan 0.000 0.422 180 Y N 1.293 121.617 120.300 0.040 0.000 2.097 180 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 180 Y C 1.812 177.741 175.900 0.047 0.000 1.152 180 Y CA 1.543 59.660 58.100 0.028 0.000 1.136 180 Y CB -0.406 38.055 38.460 0.001 0.000 0.975 180 Y HN 0.036 nan 8.280 nan 0.000 0.498 181 L N -1.458 119.727 121.223 -0.064 0.000 2.042 181 L HA -0.312 4.028 4.340 -0.000 0.000 0.210 181 L C 2.319 179.157 176.870 -0.053 0.000 1.076 181 L CA 1.889 56.649 54.840 -0.133 0.000 0.749 181 L CB -1.082 40.879 42.059 -0.164 0.000 0.893 181 L HN 0.272 nan 8.230 nan 0.000 0.432 182 Y N 0.474 120.739 120.300 -0.058 0.000 2.224 182 Y HA -0.273 4.277 4.550 -0.000 0.000 0.289 182 Y C 3.105 178.922 175.900 -0.139 0.000 1.146 182 Y CA 1.390 59.431 58.100 -0.098 0.000 1.182 182 Y CB -0.150 38.261 38.460 -0.082 0.000 0.983 182 Y HN 0.309 nan 8.280 nan 0.000 0.524 183 S N -0.215 115.497 115.700 0.020 0.000 2.469 183 S HA -0.130 4.340 4.470 -0.000 0.000 0.238 183 S C 1.495 176.010 174.600 -0.142 0.000 0.998 183 S CA 1.055 59.218 58.200 -0.062 0.000 0.957 183 S CB -0.631 62.540 63.200 -0.048 0.000 0.764 183 S HN 0.498 nan 8.310 nan 0.000 0.514 184 L N -0.365 120.748 121.223 -0.183 0.000 2.513 184 L HA 0.345 4.685 4.340 -0.000 0.000 0.222 184 L C 0.956 177.705 176.870 -0.203 0.000 1.096 184 L CA -0.213 54.522 54.840 -0.174 0.000 0.857 184 L CB -0.185 41.764 42.059 -0.184 0.000 1.026 184 L HN 0.115 nan 8.230 nan 0.000 0.469 185 K N 1.593 121.798 120.400 -0.326 0.000 2.451 185 K HA 0.032 4.352 4.320 -0.000 0.000 0.280 185 K C -0.175 176.129 176.600 -0.493 0.000 1.020 185 K CA 0.432 56.260 56.287 -0.765 0.000 1.008 185 K CB 0.454 32.553 32.500 -0.668 0.000 0.917 185 K HN -0.091 nan 8.250 nan 0.000 0.478 186 Q N 4.332 123.799 119.800 -0.555 0.000 2.248 186 Q HA 0.281 4.621 4.340 -0.000 0.000 0.263 186 Q C -1.821 174.007 176.000 -0.287 0.000 1.007 186 Q CA -2.265 53.325 55.803 -0.356 0.000 0.877 186 Q CB 0.910 29.438 28.738 -0.351 0.000 1.315 186 Q HN 0.445 nan 8.270 nan 0.000 0.454 187 P HA -0.141 nan 4.420 nan 0.000 0.218 187 P C 0.398 177.639 177.300 -0.098 0.000 1.149 187 P CA 1.253 64.277 63.100 -0.125 0.000 0.817 187 P CB 0.265 31.912 31.700 -0.088 0.000 0.785 188 D N -1.797 118.542 120.400 -0.102 0.000 2.336 188 D HA 0.059 4.699 4.640 -0.000 0.000 0.229 188 D C 1.427 177.724 176.300 -0.005 0.000 1.061 188 D CA 0.720 54.712 54.000 -0.015 0.000 0.875 188 D CB -0.810 40.029 40.800 0.066 0.000 0.904 188 D HN 0.247 nan 8.370 nan 0.000 0.525 189 G N -0.186 108.529 108.800 -0.141 0.000 2.232 189 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.226 189 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.226 189 G C 0.499 175.230 174.900 -0.281 0.000 0.996 189 G CA 0.331 45.367 45.100 -0.107 0.000 0.626 189 G HN 0.808 nan 8.290 nan 0.000 0.509 190 S N -0.298 115.009 115.700 -0.656 0.000 2.686 190 S HA 0.838 5.308 4.470 -0.000 0.000 0.270 190 S C -0.317 173.919 174.600 -0.607 0.000 1.194 190 S CA -0.421 57.243 58.200 -0.895 0.000 0.990 190 S CB 1.472 63.624 63.200 -1.746 0.000 1.029 190 S HN 0.577 nan 8.310 nan 0.000 0.560 191 F N -0.607 119.069 119.950 -0.458 0.000 2.576 191 F HA 0.534 5.061 4.527 -0.000 0.000 0.313 191 F C -0.029 175.607 175.800 -0.273 0.000 1.078 191 F CA -1.051 56.773 58.000 -0.294 0.000 0.921 191 F CB 1.475 40.357 39.000 -0.196 0.000 1.232 191 F HN 0.453 nan 8.300 nan 0.000 0.459 192 L N 2.944 124.132 121.223 -0.058 0.000 2.466 192 L HA 0.188 4.527 4.340 -0.000 0.000 0.257 192 L C 1.214 178.036 176.870 -0.081 0.000 1.189 192 L CA -0.664 54.106 54.840 -0.117 0.000 0.813 192 L CB 0.534 42.488 42.059 -0.176 0.000 1.118 192 L HN 0.662 nan 8.230 nan 0.000 0.471 193 M N 0.116 119.654 119.600 -0.104 0.000 2.349 193 M HA 0.024 4.504 4.480 -0.000 0.000 0.266 193 M C 0.293 176.499 176.300 -0.156 0.000 1.076 193 M CA 1.156 56.384 55.300 -0.120 0.000 1.126 193 M CB -0.907 31.634 32.600 -0.098 0.000 1.392 193 M HN 0.778 nan 8.290 nan 0.000 0.440 194 H N -4.895 114.057 119.070 -0.197 0.000 2.987 194 H HA 0.447 5.002 4.556 -0.000 0.000 0.316 194 H C -0.925 174.384 175.328 -0.032 0.000 1.380 194 H CA -1.224 54.793 56.048 -0.051 0.000 1.160 194 H CB 0.485 30.241 29.762 -0.010 0.000 1.865 194 H HN -0.254 nan 8.280 nan 0.000 0.521 195 V N 1.796 121.714 119.914 0.008 0.000 2.584 195 V HA 0.223 4.343 4.120 -0.000 0.000 0.303 195 V C 1.628 177.599 176.094 -0.204 0.000 1.035 195 V CA 1.799 64.040 62.300 -0.098 0.000 1.172 195 V CB 0.112 31.914 31.823 -0.034 0.000 0.896 195 V HN 1.405 nan 8.190 nan 0.000 0.486 196 G N 3.480 112.148 108.800 -0.221 0.000 2.153 196 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.252 196 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.252 196 G C 0.477 175.190 174.900 -0.311 0.000 0.994 196 G CA 0.196 45.182 45.100 -0.190 0.000 0.698 196 G HN 1.357 nan 8.290 nan 0.000 0.521 197 G N -0.734 107.699 108.800 -0.612 0.000 2.613 197 G HA2 0.688 4.648 3.960 -0.000 0.000 0.303 197 G HA3 0.688 4.648 3.960 -0.000 0.000 0.303 197 G C 0.231 174.978 174.900 -0.255 0.000 1.312 197 G CA 0.178 44.867 45.100 -0.685 0.000 1.036 197 G HN 0.648 nan 8.290 nan 0.000 0.513 198 E N -1.035 119.108 120.200 -0.095 0.000 2.342 198 E HA 0.369 4.719 4.350 -0.000 0.000 0.257 198 E C -1.021 175.560 176.600 -0.032 0.000 1.150 198 E CA -0.399 55.989 56.400 -0.020 0.000 0.926 198 E CB 1.455 31.191 29.700 0.061 0.000 1.074 198 E HN 0.095 nan 8.360 nan 0.000 0.449 199 V N 1.786 121.689 119.914 -0.019 0.000 2.540 199 V HA 0.394 4.513 4.120 -0.000 0.000 0.302 199 V C -0.786 175.330 176.094 0.036 0.000 1.035 199 V CA -0.345 61.930 62.300 -0.042 0.000 0.873 199 V CB 1.302 33.059 31.823 -0.111 0.000 0.992 199 V HN 0.944 nan 8.190 nan 0.000 0.428 200 D N 2.436 122.876 120.400 0.066 0.000 2.710 200 D HA 0.153 4.793 4.640 -0.000 0.000 0.276 200 D C 0.253 176.706 176.300 0.255 0.000 1.267 200 D CA -0.583 53.516 54.000 0.166 0.000 0.772 200 D CB 1.674 42.483 40.800 0.016 0.000 1.299 200 D HN 0.116 nan 8.370 nan 0.000 0.421 201 V N 0.573 120.677 119.914 0.317 0.000 2.688 201 V HA -0.220 3.900 4.120 -0.000 0.000 0.256 201 V C 2.077 178.362 176.094 0.317 0.000 1.084 201 V CA 1.985 64.521 62.300 0.394 0.000 1.103 201 V CB -0.662 31.301 31.823 0.233 0.000 0.688 201 V HN 0.564 nan 8.190 nan 0.000 0.480 202 R N 0.551 121.248 120.500 0.328 0.000 2.105 202 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 202 R C 2.559 178.992 176.300 0.221 0.000 1.135 202 R CA 1.761 58.040 56.100 0.299 0.000 0.967 202 R CB -0.595 29.880 30.300 0.291 0.000 0.861 202 R HN 0.776 nan 8.270 nan 0.000 0.442 203 S N 0.646 116.441 115.700 0.157 0.000 2.382 203 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 203 S C 2.242 176.811 174.600 -0.052 0.000 1.027 203 S CA 0.932 59.163 58.200 0.052 0.000 0.991 203 S CB -0.202 63.023 63.200 0.042 0.000 0.823 203 S HN 0.373 nan 8.310 nan 0.000 0.469 204 A N 1.038 123.894 122.820 0.060 0.000 1.877 204 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 204 A C 2.106 179.692 177.584 0.003 0.000 1.186 204 A CA 1.622 53.693 52.037 0.056 0.000 0.620 204 A CB -1.332 17.814 19.000 0.242 0.000 0.822 204 A HN 0.663 nan 8.150 nan 0.000 0.443 205 Y N 0.373 120.656 120.300 -0.027 0.000 2.145 205 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 205 Y C 2.604 178.477 175.900 -0.044 0.000 1.145 205 Y CA 1.341 59.410 58.100 -0.051 0.000 1.148 205 Y CB -1.019 37.434 38.460 -0.011 0.000 0.981 205 Y HN 0.384 nan 8.280 nan 0.000 0.507 206 C N 0.575 119.715 119.300 -0.266 0.000 2.413 206 C HA -0.180 4.280 4.460 -0.000 0.000 0.276 206 C C 3.089 177.980 174.990 -0.165 0.000 1.236 206 C CA 1.366 60.228 59.018 -0.259 0.000 1.735 206 C CB -1.842 25.879 27.740 -0.032 0.000 2.031 206 C HN 0.738 nan 8.230 nan 0.000 0.474 207 A N 0.454 123.148 122.820 -0.211 0.000 1.877 207 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 207 A C 2.383 179.956 177.584 -0.018 0.000 1.186 207 A CA 2.119 54.030 52.037 -0.210 0.000 0.620 207 A CB -1.001 17.603 19.000 -0.659 0.000 0.822 207 A HN 0.581 nan 8.150 nan 0.000 0.443 208 A N -0.821 121.911 122.820 -0.146 0.000 1.902 208 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 208 A C 2.483 180.006 177.584 -0.103 0.000 1.181 208 A CA 2.245 54.110 52.037 -0.287 0.000 0.623 208 A CB -1.015 17.707 19.000 -0.462 0.000 0.818 208 A HN 0.560 nan 8.150 nan 0.000 0.443 209 S N -0.374 115.244 115.700 -0.137 0.000 2.351 209 S HA -0.177 4.293 4.470 -0.000 0.000 0.220 209 S C 2.110 176.771 174.600 0.102 0.000 1.035 209 S CA 2.496 60.726 58.200 0.050 0.000 1.031 209 S CB -0.896 62.274 63.200 -0.050 0.000 0.928 209 S HN 1.029 nan 8.310 nan 0.000 0.433 210 V N 0.594 120.515 119.914 0.011 0.000 2.407 210 V HA 0.075 4.195 4.120 -0.000 0.000 0.248 210 V C 2.500 178.564 176.094 -0.050 0.000 1.055 210 V CA 1.762 64.037 62.300 -0.042 0.000 1.049 210 V CB -1.683 30.124 31.823 -0.026 0.000 0.662 210 V HN 0.530 nan 8.190 nan 0.000 0.455 211 A N 1.525 124.354 122.820 0.015 0.000 1.929 211 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 211 A C 2.564 180.168 177.584 0.034 0.000 1.176 211 A CA 2.236 54.297 52.037 0.040 0.000 0.628 211 A CB -0.863 18.243 19.000 0.178 0.000 0.816 211 A HN 0.894 nan 8.150 nan 0.000 0.444 212 S N 0.145 115.881 115.700 0.060 0.000 2.371 212 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 212 S C 1.907 176.504 174.600 -0.004 0.000 1.029 212 S CA 1.249 59.489 58.200 0.067 0.000 0.978 212 S CB -0.780 62.505 63.200 0.142 0.000 0.833 212 S HN 0.417 nan 8.310 nan 0.000 0.466 213 L N 1.997 123.179 121.223 -0.067 0.000 2.046 213 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 213 L C 2.976 179.690 176.870 -0.260 0.000 1.077 213 L CA 1.686 56.414 54.840 -0.187 0.000 0.747 213 L CB -1.193 40.705 42.059 -0.268 0.000 0.896 213 L HN 0.610 nan 8.230 nan 0.000 0.432 214 T N -4.009 110.289 114.554 -0.427 0.000 3.129 214 T HA 0.026 4.376 4.350 -0.000 0.000 0.251 214 T C 0.840 175.340 174.700 -0.333 0.000 1.117 214 T CA 0.180 61.787 62.100 -0.821 0.000 1.034 214 T CB -0.387 68.021 68.868 -0.767 0.000 0.968 214 T HN 0.357 nan 8.240 nan 0.000 0.526 215 N N 1.224 119.851 118.700 -0.122 0.000 2.708 215 N HA -0.174 4.566 4.740 -0.000 0.000 0.255 215 N C 0.225 175.722 175.510 -0.021 0.000 1.046 215 N CA 0.911 53.948 53.050 -0.023 0.000 0.715 215 N CB -1.874 36.631 38.487 0.030 0.000 0.895 215 N HN 0.913 nan 8.380 nan 0.000 0.545 216 I N -2.643 117.914 120.570 -0.021 0.000 4.102 216 I HA 0.369 4.539 4.170 -0.000 0.000 0.325 216 I C 0.111 176.233 176.117 0.007 0.000 1.471 216 I CA -0.622 60.673 61.300 -0.009 0.000 1.133 216 I CB 0.151 38.131 38.000 -0.034 0.000 1.184 216 I HN 0.031 nan 8.210 nan 0.000 0.451 217 I N 4.242 124.841 120.570 0.048 0.000 2.483 217 I HA 0.066 4.235 4.170 -0.000 0.000 0.291 217 I C 0.975 177.132 176.117 0.066 0.000 1.112 217 I CA 0.258 61.611 61.300 0.088 0.000 1.350 217 I CB 0.448 38.566 38.000 0.196 0.000 1.419 217 I HN 0.357 nan 8.210 nan 0.000 0.523 218 T N 3.368 117.940 114.554 0.030 0.000 2.847 218 T HA 0.301 4.650 4.350 -0.000 0.000 0.279 218 T C -1.603 173.146 174.700 0.081 0.000 0.984 218 T CA -1.739 60.405 62.100 0.073 0.000 0.988 218 T CB 1.322 70.268 68.868 0.130 0.000 1.040 218 T HN 0.272 nan 8.240 nan 0.000 0.528 219 P HA -0.107 nan 4.420 nan 0.000 0.216 219 P C 1.034 178.387 177.300 0.088 0.000 1.150 219 P CA 1.252 64.403 63.100 0.085 0.000 0.843 219 P CB 0.033 31.776 31.700 0.072 0.000 0.787 220 D N -1.997 118.457 120.400 0.090 0.000 2.407 220 D HA 0.001 4.641 4.640 -0.000 0.000 0.208 220 D C 1.744 178.064 176.300 0.034 0.000 1.083 220 D CA -0.134 53.914 54.000 0.081 0.000 0.844 220 D CB -0.801 40.053 40.800 0.090 0.000 0.967 220 D HN 0.008 nan 8.370 nan 0.000 0.506 221 L N 0.424 121.600 121.223 -0.078 0.000 2.021 221 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 221 L C 1.090 177.663 176.870 -0.496 0.000 1.074 221 L CA 1.749 56.316 54.840 -0.454 0.000 0.760 221 L CB -0.773 40.833 42.059 -0.755 0.000 0.889 221 L HN -0.034 nan 8.230 nan 0.000 0.433 222 F N -0.289 119.708 119.950 0.079 0.000 2.730 222 F HA 0.234 4.761 4.527 -0.000 0.000 0.295 222 F C 0.784 176.631 175.800 0.079 0.000 1.143 222 F CA -0.776 57.297 58.000 0.122 0.000 1.367 222 F CB -0.233 38.839 39.000 0.120 0.000 0.970 222 F HN -0.074 nan 8.300 nan 0.000 0.514 223 E N 0.778 121.052 120.200 0.123 0.000 2.480 223 E HA 0.091 4.441 4.350 -0.000 0.000 0.258 223 E C 1.316 177.967 176.600 0.085 0.000 0.984 223 E CA 0.958 57.412 56.400 0.090 0.000 0.930 223 E CB 0.756 30.479 29.700 0.038 0.000 0.936 223 E HN 0.610 nan 8.360 nan 0.000 0.466 224 G N 3.635 112.499 108.800 0.106 0.000 2.245 224 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.264 224 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.264 224 G C 1.287 176.299 174.900 0.187 0.000 0.985 224 G CA 0.883 46.053 45.100 0.116 0.000 0.625 224 G HN 0.535 nan 8.290 nan 0.000 0.536 225 T N 1.046 115.739 114.554 0.231 0.000 2.708 225 T HA 0.103 4.453 4.350 -0.000 0.000 0.266 225 T C 2.793 177.668 174.700 0.293 0.000 1.037 225 T CA 2.564 64.861 62.100 0.328 0.000 1.146 225 T CB -0.497 68.667 68.868 0.493 0.000 0.865 225 T HN 1.246 nan 8.240 nan 0.000 0.435 226 A N 1.502 124.439 122.820 0.195 0.000 1.908 226 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 226 A C 2.235 179.882 177.584 0.105 0.000 1.181 226 A CA 1.760 53.870 52.037 0.121 0.000 0.627 226 A CB -0.540 18.506 19.000 0.077 0.000 0.818 226 A HN 0.436 nan 8.150 nan 0.000 0.445 227 E N -1.472 118.801 120.200 0.120 0.000 2.072 227 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 227 E C 1.557 178.204 176.600 0.078 0.000 0.985 227 E CA 1.161 57.608 56.400 0.080 0.000 0.801 227 E CB -0.365 29.384 29.700 0.082 0.000 0.750 227 E HN 0.823 nan 8.360 nan 0.000 0.452 228 W N 1.048 122.357 121.300 0.015 0.000 2.355 228 W HA -0.146 4.514 4.660 -0.000 0.000 0.309 228 W C 1.736 178.252 176.519 -0.004 0.000 1.206 228 W CA 1.621 58.971 57.345 0.007 0.000 1.284 228 W CB -0.272 29.202 29.460 0.023 0.000 1.145 228 W HN -0.012 nan 8.180 nan 0.000 0.502 229 I N 0.691 121.327 120.570 0.109 0.000 2.208 229 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 229 I C 2.580 178.572 176.117 -0.207 0.000 1.097 229 I CA 1.539 62.799 61.300 -0.066 0.000 1.363 229 I CB -1.125 36.926 38.000 0.085 0.000 1.051 229 I HN 0.099 nan 8.210 nan 0.000 0.413 230 A N 0.728 123.470 122.820 -0.131 0.000 1.972 230 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 230 A C 2.341 179.806 177.584 -0.199 0.000 1.169 230 A CA 1.325 53.280 52.037 -0.136 0.000 0.635 230 A CB -0.544 18.411 19.000 -0.074 0.000 0.810 230 A HN 0.339 nan 8.150 nan 0.000 0.446 231 R N -1.040 119.297 120.500 -0.273 0.000 2.237 231 R HA -0.082 4.258 4.340 -0.000 0.000 0.219 231 R C 1.654 177.731 176.300 -0.371 0.000 1.080 231 R CA 1.141 57.059 56.100 -0.303 0.000 0.995 231 R CB -0.576 29.516 30.300 -0.348 0.000 0.875 231 R HN 0.614 nan 8.270 nan 0.000 0.462 232 C N 0.369 119.392 119.300 -0.462 0.000 2.514 232 C HA 0.012 4.472 4.460 -0.000 0.000 0.271 232 C C 1.404 176.205 174.990 -0.316 0.000 1.399 232 C CA -0.332 58.424 59.018 -0.436 0.000 1.765 232 C CB -0.751 26.681 27.740 -0.513 0.000 1.893 232 C HN 0.445 nan 8.230 nan 0.000 0.531 233 Q N 2.631 122.268 119.800 -0.272 0.000 2.313 233 Q HA 0.157 4.497 4.340 -0.000 0.000 0.266 233 Q C 0.134 175.996 176.000 -0.229 0.000 0.989 233 Q CA 0.284 55.931 55.803 -0.260 0.000 0.890 233 Q CB 0.561 29.175 28.738 -0.206 0.000 1.200 233 Q HN 0.709 nan 8.270 nan 0.000 0.396 234 N N 3.420 121.948 118.700 -0.285 0.000 2.989 234 N HA 0.140 4.880 4.740 -0.000 0.000 0.338 234 N C 0.727 176.121 175.510 -0.193 0.000 1.369 234 N CA -0.619 52.306 53.050 -0.209 0.000 0.794 234 N CB -0.419 37.920 38.487 -0.246 0.000 1.359 234 N HN 0.860 nan 8.380 nan 0.000 0.609 235 W N -0.647 120.596 121.300 -0.095 0.000 2.424 235 W HA 0.008 4.667 4.660 -0.000 0.000 0.264 235 W C 0.332 176.824 176.519 -0.045 0.000 1.229 235 W CA 0.679 57.989 57.345 -0.058 0.000 1.208 235 W CB -0.860 28.579 29.460 -0.035 0.000 1.127 235 W HN 0.575 nan 8.180 nan 0.000 0.588 236 E N 0.159 119.867 120.200 -0.821 0.000 2.299 236 E HA 0.141 4.491 4.350 -0.000 0.000 0.193 236 E C 2.113 178.508 176.600 -0.341 0.000 0.998 236 E CA 0.886 56.868 56.400 -0.697 0.000 0.851 236 E CB -0.243 28.875 29.700 -0.970 0.000 0.795 236 E HN 0.403 nan 8.360 nan 0.000 0.492 237 G N 0.695 109.263 108.800 -0.387 0.000 2.284 237 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 237 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 237 G C 0.596 175.217 174.900 -0.465 0.000 1.009 237 G CA -0.238 44.715 45.100 -0.245 0.000 0.625 237 G HN 0.515 nan 8.290 nan 0.000 0.501 238 G N -0.351 107.797 108.800 -1.087 0.000 2.525 238 G HA2 0.632 4.592 3.960 -0.000 0.000 0.287 238 G HA3 0.632 4.592 3.960 -0.000 0.000 0.287 238 G C -0.211 174.186 174.900 -0.838 0.000 1.350 238 G CA -0.491 43.725 45.100 -1.473 0.000 1.039 238 G HN 0.682 nan 8.290 nan 0.000 0.513 239 I N 0.150 120.312 120.570 -0.680 0.000 2.465 239 I HA 0.466 4.636 4.170 -0.000 0.000 0.291 239 I C 0.751 176.713 176.117 -0.259 0.000 1.014 239 I CA -0.730 60.343 61.300 -0.380 0.000 1.093 239 I CB 2.077 39.930 38.000 -0.245 0.000 1.267 239 I HN 0.588 nan 8.210 nan 0.000 0.431 240 G N 2.617 111.266 108.800 -0.251 0.000 2.511 240 G HA2 0.439 4.399 3.960 -0.000 0.000 0.316 240 G HA3 0.439 4.399 3.960 -0.000 0.000 0.316 240 G C 0.880 175.551 174.900 -0.383 0.000 1.210 240 G CA -0.153 44.829 45.100 -0.196 0.000 0.969 240 G HN 0.776 nan 8.290 nan 0.000 0.492 241 G N -1.308 107.060 108.800 -0.720 0.000 2.440 241 G HA2 0.196 4.156 3.960 -0.000 0.000 0.218 241 G HA3 0.196 4.156 3.960 -0.000 0.000 0.218 241 G C 0.666 175.285 174.900 -0.469 0.000 1.154 241 G CA 1.939 46.283 45.100 -1.259 0.000 0.767 241 G HN 1.474 nan 8.290 nan 0.000 0.552 242 V N -4.559 115.176 119.914 -0.298 0.000 3.159 242 V HA 0.653 4.773 4.120 -0.000 0.000 0.308 242 V C -2.988 172.961 176.094 -0.241 0.000 1.190 242 V CA -3.076 59.127 62.300 -0.162 0.000 1.037 242 V CB 1.755 33.593 31.823 0.026 0.000 1.060 242 V HN -0.121 nan 8.190 nan 0.000 0.437 243 P HA 0.312 nan 4.420 nan 0.000 0.261 243 P C 0.991 178.216 177.300 -0.124 0.000 1.173 243 P CA 2.218 65.170 63.100 -0.246 0.000 0.760 243 P CB 0.524 32.080 31.700 -0.240 0.000 0.783 244 G N 1.964 110.706 108.800 -0.097 0.000 2.232 244 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 244 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 244 G C 0.200 175.098 174.900 -0.003 0.000 0.996 244 G CA -0.441 44.643 45.100 -0.026 0.000 0.626 244 G HN 0.396 nan 8.290 nan 0.000 0.509 245 M N 1.388 120.956 119.600 -0.054 0.000 2.255 245 M HA 0.399 4.879 4.480 -0.000 0.000 0.336 245 M C 0.756 177.031 176.300 -0.041 0.000 1.135 245 M CA -0.880 54.399 55.300 -0.034 0.000 1.145 245 M CB 0.886 33.443 32.600 -0.072 0.000 1.473 245 M HN 0.405 nan 8.290 nan 0.000 0.462 246 E N 1.228 121.437 120.200 0.016 0.000 2.481 246 E HA 0.204 4.554 4.350 -0.000 0.000 0.263 246 E C -0.667 175.898 176.600 -0.059 0.000 0.992 246 E CA -0.284 56.115 56.400 -0.002 0.000 0.938 246 E CB 0.698 30.451 29.700 0.088 0.000 0.933 246 E HN 0.694 nan 8.360 nan 0.000 0.453 247 A N 4.912 127.606 122.820 -0.209 0.000 2.440 247 A HA 0.146 4.466 4.320 -0.000 0.000 0.251 247 A C -0.516 177.080 177.584 0.020 0.000 1.089 247 A CA -0.033 51.801 52.037 -0.340 0.000 0.779 247 A CB 0.431 18.872 19.000 -0.931 0.000 1.022 247 A HN 0.721 nan 8.150 nan 0.000 0.492 248 H N 1.338 120.397 119.070 -0.019 0.000 2.894 248 H HA 0.368 4.923 4.556 -0.000 0.000 0.367 248 H C 1.168 176.607 175.328 0.186 0.000 1.144 248 H CA 0.163 56.303 56.048 0.154 0.000 1.180 248 H CB 1.870 31.712 29.762 0.133 0.000 1.758 248 H HN 0.692 nan 8.280 nan 0.000 0.541 249 G N 2.197 110.994 108.800 -0.005 0.000 2.442 249 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 249 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 249 G C 1.501 176.516 174.900 0.192 0.000 1.141 249 G CA 0.866 46.048 45.100 0.138 0.000 0.763 249 G HN 0.665 nan 8.290 nan 0.000 0.554 250 G N -0.099 108.799 108.800 0.165 0.000 2.421 250 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.216 250 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.216 250 G C 1.620 176.395 174.900 -0.208 0.000 1.171 250 G CA 0.887 45.786 45.100 -0.334 0.000 0.775 250 G HN 0.527 nan 8.290 nan 0.000 0.543 251 Y N 0.773 121.087 120.300 0.025 0.000 2.263 251 Y HA -0.066 4.484 4.550 -0.000 0.000 0.292 251 Y C 3.356 179.236 175.900 -0.034 0.000 1.130 251 Y CA 1.104 59.192 58.100 -0.019 0.000 1.179 251 Y CB -0.153 38.291 38.460 -0.027 0.000 0.998 251 Y HN 0.121 nan 8.280 nan 0.000 0.532 252 T N 0.524 115.158 114.554 0.134 0.000 2.746 252 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 252 T C 1.540 176.244 174.700 0.007 0.000 1.039 252 T CA 1.431 63.539 62.100 0.014 0.000 1.142 252 T CB -0.643 68.228 68.868 0.005 0.000 0.866 252 T HN 0.318 nan 8.240 nan 0.000 0.444 253 F N 1.501 121.448 119.950 -0.004 0.000 2.095 253 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 253 F C 2.479 178.181 175.800 -0.164 0.000 1.104 253 F CA 0.787 58.761 58.000 -0.045 0.000 1.232 253 F CB -0.814 38.260 39.000 0.124 0.000 0.987 253 F HN 0.154 nan 8.300 nan 0.000 0.475 254 C N 0.766 119.976 119.300 -0.150 0.000 2.413 254 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 254 C C 3.098 177.981 174.990 -0.179 0.000 1.248 254 C CA 1.319 60.181 59.018 -0.260 0.000 1.742 254 C CB -1.959 25.825 27.740 0.073 0.000 2.017 254 C HN 0.747 nan 8.230 nan 0.000 0.481 255 G N -0.029 108.714 108.800 -0.095 0.000 2.433 255 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 255 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 255 G C 1.492 176.308 174.900 -0.139 0.000 1.186 255 G CA 0.971 46.028 45.100 -0.071 0.000 0.779 255 G HN 0.433 nan 8.290 nan 0.000 0.543 256 L N 1.454 122.548 121.223 -0.216 0.000 2.017 256 L HA 0.180 4.520 4.340 -0.000 0.000 0.208 256 L C 3.102 179.802 176.870 -0.283 0.000 1.073 256 L CA 2.171 56.877 54.840 -0.222 0.000 0.745 256 L CB -0.896 41.035 42.059 -0.212 0.000 0.894 256 L HN 0.249 nan 8.230 nan 0.000 0.432 257 A N -0.493 122.018 122.820 -0.514 0.000 1.908 257 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 257 A C 2.447 179.932 177.584 -0.165 0.000 1.181 257 A CA 2.043 53.798 52.037 -0.470 0.000 0.627 257 A CB -1.203 17.232 19.000 -0.941 0.000 0.818 257 A HN 0.584 nan 8.150 nan 0.000 0.445 258 A N -0.365 122.412 122.820 -0.072 0.000 1.902 258 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 258 A C 2.175 179.704 177.584 -0.091 0.000 1.181 258 A CA 1.451 53.481 52.037 -0.012 0.000 0.623 258 A CB -0.598 18.427 19.000 0.043 0.000 0.818 258 A HN 0.472 nan 8.150 nan 0.000 0.443 259 L N -0.493 120.681 121.223 -0.081 0.000 2.083 259 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 259 L C 2.524 179.355 176.870 -0.064 0.000 1.083 259 L CA 1.053 55.853 54.840 -0.065 0.000 0.752 259 L CB -0.528 41.498 42.059 -0.055 0.000 0.899 259 L HN 0.255 nan 8.230 nan 0.000 0.433 260 V N 0.186 120.054 119.914 -0.077 0.000 2.343 260 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 260 V C 2.288 178.361 176.094 -0.035 0.000 1.051 260 V CA 1.771 64.042 62.300 -0.049 0.000 1.036 260 V CB -0.278 31.510 31.823 -0.059 0.000 0.654 260 V HN 0.332 nan 8.190 nan 0.000 0.451 261 I N -0.480 120.048 120.570 -0.069 0.000 2.315 261 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 261 I C 2.015 178.089 176.117 -0.071 0.000 1.117 261 I CA 1.528 62.791 61.300 -0.063 0.000 1.404 261 I CB -0.199 37.732 38.000 -0.115 0.000 1.071 261 I HN 0.255 nan 8.210 nan 0.000 0.419 262 L N 0.454 121.610 121.223 -0.112 0.000 2.599 262 L HA 0.006 4.346 4.340 -0.000 0.000 0.230 262 L C 0.445 177.301 176.870 -0.023 0.000 1.141 262 L CA 0.293 55.077 54.840 -0.093 0.000 0.877 262 L CB -0.376 41.606 42.059 -0.127 0.000 1.009 262 L HN 0.220 nan 8.230 nan 0.000 0.447 263 K N 0.311 120.704 120.400 -0.012 0.000 3.125 263 K HA -0.169 4.151 4.320 -0.000 0.000 0.268 263 K C 0.006 176.611 176.600 0.009 0.000 1.078 263 K CA 0.340 56.633 56.287 0.010 0.000 0.775 263 K CB -1.078 31.437 32.500 0.025 0.000 1.253 263 K HN 0.183 nan 8.250 nan 0.000 0.486 264 K N 0.134 120.532 120.400 -0.002 0.000 2.706 264 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 264 K C 0.260 176.856 176.600 -0.006 0.000 1.102 264 K CA -0.015 56.274 56.287 0.003 0.000 1.058 264 K CB 0.889 33.395 32.500 0.009 0.000 0.779 264 K HN 0.191 nan 8.250 nan 0.000 0.483 265 E N 0.845 121.039 120.200 -0.010 0.000 2.219 265 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 265 E C 1.502 178.096 176.600 -0.011 0.000 0.998 265 E CA 1.152 57.542 56.400 -0.017 0.000 0.818 265 E CB -0.120 29.573 29.700 -0.011 0.000 0.741 265 E HN 0.201 nan 8.360 nan 0.000 0.477 266 R N 0.406 120.905 120.500 -0.002 0.000 2.193 266 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 266 R C 2.033 178.330 176.300 -0.005 0.000 1.110 266 R CA 1.071 57.172 56.100 0.000 0.000 0.988 266 R CB -0.196 30.108 30.300 0.006 0.000 0.871 266 R HN 0.062 nan 8.270 nan 0.000 0.458 267 S N 0.758 116.454 115.700 -0.007 0.000 2.442 267 S HA -0.032 4.438 4.470 -0.000 0.000 0.236 267 S C 0.886 175.470 174.600 -0.026 0.000 1.007 267 S CA 0.721 58.914 58.200 -0.012 0.000 0.965 267 S CB -0.057 63.138 63.200 -0.008 0.000 0.773 267 S HN 0.161 nan 8.310 nan 0.000 0.504 268 L N 1.669 122.873 121.223 -0.031 0.000 2.416 268 L HA 0.367 4.707 4.340 -0.000 0.000 0.262 268 L C 0.534 177.385 176.870 -0.030 0.000 1.093 268 L CA -0.778 54.035 54.840 -0.044 0.000 0.801 268 L CB 0.292 42.318 42.059 -0.056 0.000 1.191 268 L HN -0.012 nan 8.230 nan 0.000 0.459 269 N N 1.618 120.297 118.700 -0.035 0.000 2.555 269 N HA 0.139 4.879 4.740 -0.000 0.000 0.244 269 N C 0.660 176.164 175.510 -0.010 0.000 1.114 269 N CA 0.097 53.136 53.050 -0.018 0.000 0.963 269 N CB 0.463 38.939 38.487 -0.019 0.000 1.276 269 N HN 0.579 nan 8.380 nan 0.000 0.510 270 L N 2.135 123.358 121.223 0.001 0.000 2.191 270 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 270 L C 2.315 179.205 176.870 0.034 0.000 1.103 270 L CA 1.036 55.885 54.840 0.014 0.000 0.769 270 L CB -0.200 41.870 42.059 0.018 0.000 0.908 270 L HN 0.525 nan 8.230 nan 0.000 0.438 271 K N 0.675 121.095 120.400 0.033 0.000 2.025 271 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 271 K C 2.345 178.980 176.600 0.058 0.000 1.049 271 K CA 1.771 58.086 56.287 0.046 0.000 0.933 271 K CB -0.073 32.451 32.500 0.039 0.000 0.714 271 K HN 0.295 nan 8.250 nan 0.000 0.438 272 S N 0.977 116.704 115.700 0.045 0.000 2.402 272 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 272 S C 1.968 176.616 174.600 0.081 0.000 1.021 272 S CA 0.858 59.091 58.200 0.055 0.000 0.974 272 S CB -0.433 62.781 63.200 0.025 0.000 0.800 272 S HN 0.342 nan 8.310 nan 0.000 0.484 273 L N 1.515 122.771 121.223 0.056 0.000 2.005 273 L HA 0.172 4.512 4.340 -0.000 0.000 0.207 273 L C 2.252 179.234 176.870 0.187 0.000 1.072 273 L CA 1.665 56.558 54.840 0.088 0.000 0.744 273 L CB -1.361 40.712 42.059 0.022 0.000 0.895 273 L HN 0.416 nan 8.230 nan 0.000 0.433 274 L N -0.235 121.067 121.223 0.132 0.000 2.042 274 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 274 L C 2.605 179.563 176.870 0.148 0.000 1.076 274 L CA 2.252 57.175 54.840 0.139 0.000 0.749 274 L CB -0.748 41.379 42.059 0.113 0.000 0.893 274 L HN 0.598 nan 8.230 nan 0.000 0.432 275 Q N -1.766 118.119 119.800 0.140 0.000 2.119 275 Q HA -0.265 4.075 4.340 -0.000 0.000 0.201 275 Q C 2.057 178.144 176.000 0.144 0.000 0.972 275 Q CA 2.098 57.976 55.803 0.125 0.000 0.847 275 Q CB -0.477 28.326 28.738 0.109 0.000 0.903 275 Q HN 0.687 nan 8.270 nan 0.000 0.433 276 W N -0.445 120.852 121.300 -0.006 0.000 2.378 276 W HA -0.164 4.495 4.660 -0.000 0.000 0.313 276 W C 1.954 178.469 176.519 -0.006 0.000 1.197 276 W CA 1.442 58.768 57.345 -0.032 0.000 1.304 276 W CB -0.604 28.807 29.460 -0.081 0.000 1.148 276 W HN 0.041 nan 8.180 nan 0.000 0.494 277 V N 1.526 121.493 119.914 0.088 0.000 2.295 277 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 277 V C 2.493 178.542 176.094 -0.075 0.000 1.049 277 V CA 3.400 65.594 62.300 -0.177 0.000 1.024 277 V CB -1.219 30.652 31.823 0.079 0.000 0.648 277 V HN 0.483 nan 8.190 nan 0.000 0.447 278 T N -2.827 111.755 114.554 0.046 0.000 2.881 278 T HA -0.153 4.197 4.350 -0.000 0.000 0.270 278 T C 1.822 176.508 174.700 -0.023 0.000 1.068 278 T CA 1.802 63.961 62.100 0.098 0.000 1.131 278 T CB -0.594 68.349 68.868 0.125 0.000 0.871 278 T HN 0.476 nan 8.240 nan 0.000 0.479 279 S N 0.913 116.543 115.700 -0.116 0.000 2.522 279 S HA 0.116 4.586 4.470 -0.000 0.000 0.227 279 S C 1.931 176.370 174.600 -0.268 0.000 0.986 279 S CA -0.012 58.087 58.200 -0.167 0.000 0.929 279 S CB -0.152 62.956 63.200 -0.153 0.000 0.769 279 S HN 0.422 nan 8.310 nan 0.000 0.529 280 R N 1.280 121.574 120.500 -0.343 0.000 2.299 280 R HA 0.149 4.489 4.340 -0.000 0.000 0.197 280 R C 0.843 176.936 176.300 -0.345 0.000 0.971 280 R CA 0.106 56.000 56.100 -0.343 0.000 1.030 280 R CB -0.330 29.708 30.300 -0.437 0.000 0.932 280 R HN 0.501 nan 8.270 nan 0.000 0.477 281 Q N 1.177 120.620 119.800 -0.594 0.000 2.288 281 Q HA 0.128 4.468 4.340 -0.000 0.000 0.258 281 Q C -0.480 175.240 176.000 -0.467 0.000 0.957 281 Q CA -0.235 54.950 55.803 -1.030 0.000 0.919 281 Q CB 0.723 28.794 28.738 -1.112 0.000 1.185 281 Q HN -0.138 nan 8.270 nan 0.000 0.408 282 M N 4.405 123.776 119.600 -0.382 0.000 2.227 282 M HA 0.062 4.542 4.480 -0.000 0.000 0.349 282 M C 1.164 177.406 176.300 -0.097 0.000 1.443 282 M CA 0.524 55.715 55.300 -0.182 0.000 1.110 282 M CB 0.398 32.913 32.600 -0.141 0.000 1.773 282 M HN 0.703 nan 8.290 nan 0.000 0.463 283 R N 1.772 122.253 120.500 -0.031 0.000 2.105 283 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 283 R C 1.497 177.847 176.300 0.085 0.000 1.135 283 R CA 1.620 57.733 56.100 0.022 0.000 0.967 283 R CB -0.445 29.865 30.300 0.017 0.000 0.861 283 R HN 0.554 nan 8.270 nan 0.000 0.442 284 F N 1.848 121.790 119.950 -0.015 0.000 2.164 284 F HA 0.136 4.663 4.527 -0.000 0.000 0.287 284 F C 1.813 177.814 175.800 0.334 0.000 1.086 284 F CA 1.147 59.176 58.000 0.050 0.000 1.249 284 F CB 0.038 39.044 39.000 0.011 0.000 1.059 284 F HN -0.105 nan 8.300 nan 0.000 0.490 285 E N 0.253 120.546 120.200 0.155 0.000 2.110 285 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 285 E C 1.864 178.504 176.600 0.067 0.000 0.988 285 E CA 1.478 57.923 56.400 0.075 0.000 0.804 285 E CB -0.650 29.013 29.700 -0.061 0.000 0.745 285 E HN 0.650 nan 8.360 nan 0.000 0.458 286 G N -0.333 108.445 108.800 -0.037 0.000 2.268 286 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.240 286 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.240 286 G C 0.617 175.429 174.900 -0.147 0.000 1.010 286 G CA 0.030 45.109 45.100 -0.035 0.000 0.618 286 G HN 0.643 nan 8.290 nan 0.000 0.516 287 G N -0.679 107.865 108.800 -0.427 0.000 2.543 287 G HA2 0.621 4.581 3.960 -0.000 0.000 0.290 287 G HA3 0.621 4.581 3.960 -0.000 0.000 0.290 287 G C -0.495 174.218 174.900 -0.312 0.000 1.310 287 G CA -0.778 44.093 45.100 -0.381 0.000 1.025 287 G HN 0.265 nan 8.290 nan 0.000 0.502 288 F N -0.449 119.433 119.950 -0.113 0.000 2.470 288 F HA 0.405 4.932 4.527 -0.000 0.000 0.329 288 F C 0.816 176.599 175.800 -0.029 0.000 1.072 288 F CA -0.621 57.324 58.000 -0.091 0.000 0.989 288 F CB 2.016 40.967 39.000 -0.082 0.000 1.193 288 F HN 0.516 nan 8.300 nan 0.000 0.481 289 Q N 0.538 120.352 119.800 0.023 0.000 2.204 289 Q HA 0.589 4.929 4.340 -0.000 0.000 0.254 289 Q C 0.457 176.185 176.000 -0.454 0.000 0.981 289 Q CA -0.584 55.178 55.803 -0.068 0.000 0.897 289 Q CB 1.655 30.326 28.738 -0.111 0.000 1.273 289 Q HN 0.814 nan 8.270 nan 0.000 0.464 290 G N 0.812 109.134 108.800 -0.797 0.000 2.539 290 G HA2 0.041 4.001 3.960 -0.000 0.000 0.215 290 G HA3 0.041 4.001 3.960 -0.000 0.000 0.215 290 G C 0.158 174.559 174.900 -0.832 0.000 1.141 290 G CA 0.076 44.280 45.100 -1.494 0.000 0.806 290 G HN 0.684 nan 8.290 nan 0.000 0.533 291 R N -2.005 118.256 120.500 -0.397 0.000 2.692 291 R HA 0.424 4.764 4.340 -0.000 0.000 0.269 291 R C -1.143 175.113 176.300 -0.072 0.000 1.030 291 R CA -0.922 55.109 56.100 -0.114 0.000 0.882 291 R CB 0.109 30.424 30.300 0.026 0.000 1.250 291 R HN -0.022 nan 8.270 nan 0.000 0.465 292 C N 2.604 121.903 119.300 -0.001 0.000 2.538 292 C HA 0.068 4.528 4.460 -0.000 0.000 0.408 292 C C 0.744 175.747 174.990 0.021 0.000 1.421 292 C CA 1.089 60.101 59.018 -0.010 0.000 1.642 292 C CB -1.307 26.458 27.740 0.042 0.000 2.553 292 C HN 1.011 nan 8.230 nan 0.000 0.604 293 N N 2.261 120.963 118.700 0.003 0.000 2.850 293 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 293 N C -0.318 175.208 175.510 0.026 0.000 1.060 293 N CA 1.362 54.424 53.050 0.021 0.000 0.825 293 N CB -0.716 37.798 38.487 0.044 0.000 1.132 293 N HN 0.805 nan 8.380 nan 0.000 0.564 294 K N -0.071 120.339 120.400 0.016 0.000 2.380 294 K HA 0.568 4.888 4.320 -0.000 0.000 0.243 294 K C 0.609 177.229 176.600 0.034 0.000 1.071 294 K CA -0.764 55.545 56.287 0.037 0.000 0.942 294 K CB 0.995 33.530 32.500 0.058 0.000 1.324 294 K HN -0.070 nan 8.250 nan 0.000 0.517 295 L N 0.912 122.177 121.223 0.070 0.000 2.399 295 L HA 0.307 4.647 4.340 -0.000 0.000 0.265 295 L C 0.465 177.400 176.870 0.110 0.000 1.089 295 L CA -0.887 53.999 54.840 0.077 0.000 0.802 295 L CB 1.160 43.271 42.059 0.088 0.000 1.180 295 L HN 0.249 nan 8.230 nan 0.000 0.454 296 V N 1.260 121.218 119.914 0.073 0.000 2.963 296 V HA 0.120 4.240 4.120 -0.000 0.000 0.306 296 V C -0.527 175.676 176.094 0.181 0.000 1.077 296 V CA 0.490 62.824 62.300 0.056 0.000 1.124 296 V CB 1.305 33.052 31.823 -0.127 0.000 0.987 296 V HN 0.875 nan 8.190 nan 0.000 0.487 297 D N 3.030 123.594 120.400 0.273 0.000 2.931 297 D HA 0.338 4.978 4.640 -0.000 0.000 0.215 297 D C 0.722 177.193 176.300 0.285 0.000 1.297 297 D CA 0.189 54.349 54.000 0.267 0.000 0.892 297 D CB 1.768 42.684 40.800 0.194 0.000 1.642 297 D HN 0.596 nan 8.370 nan 0.000 0.560 298 G N 1.737 110.739 108.800 0.336 0.000 2.475 298 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 298 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 298 G C 1.733 176.752 174.900 0.199 0.000 1.125 298 G CA 1.405 46.703 45.100 0.330 0.000 0.755 298 G HN 0.749 nan 8.290 nan 0.000 0.565 299 C N -1.428 117.949 119.300 0.129 0.000 2.432 299 C HA 0.141 4.601 4.460 -0.000 0.000 0.282 299 C C 2.320 177.225 174.990 -0.141 0.000 1.388 299 C CA 0.132 59.079 59.018 -0.118 0.000 1.777 299 C CB -1.646 25.918 27.740 -0.294 0.000 1.882 299 C HN 0.471 nan 8.230 nan 0.000 0.520 300 Y N 1.992 122.402 120.300 0.182 0.000 2.616 300 Y HA -0.032 4.518 4.550 -0.000 0.000 0.296 300 Y C 2.688 178.528 175.900 -0.099 0.000 1.154 300 Y CA 0.551 58.711 58.100 0.100 0.000 1.325 300 Y CB -0.313 38.227 38.460 0.133 0.000 1.007 300 Y HN 0.319 nan 8.280 nan 0.000 0.542 301 S N -0.006 115.750 115.700 0.093 0.000 2.419 301 S HA -0.178 4.292 4.470 -0.000 0.000 0.233 301 S C 1.472 175.976 174.600 -0.160 0.000 1.016 301 S CA 1.269 59.483 58.200 0.022 0.000 0.974 301 S CB -0.289 62.996 63.200 0.142 0.000 0.786 301 S HN 0.551 nan 8.310 nan 0.000 0.492 302 F N 0.169 119.932 119.950 -0.312 0.000 2.390 302 F HA 0.215 4.742 4.527 -0.000 0.000 0.281 302 F C 1.571 177.070 175.800 -0.501 0.000 1.016 302 F CA -0.022 57.704 58.000 -0.457 0.000 1.286 302 F CB -0.668 38.000 39.000 -0.554 0.000 1.134 302 F HN 0.131 nan 8.300 nan 0.000 0.597 303 W N 1.216 122.317 121.300 -0.332 0.000 2.318 303 W HA -0.247 4.412 4.660 -0.000 0.000 0.313 303 W C 2.420 178.749 176.519 -0.318 0.000 1.221 303 W CA 1.211 58.346 57.345 -0.349 0.000 1.266 303 W CB -0.584 28.883 29.460 0.013 0.000 1.150 303 W HN 0.103 nan 8.180 nan 0.000 0.496 304 Q N -0.116 119.574 119.800 -0.184 0.000 2.013 304 Q HA -0.003 4.337 4.340 -0.000 0.000 0.195 304 Q C 2.489 177.984 176.000 -0.842 0.000 0.974 304 Q CA 1.517 57.031 55.803 -0.482 0.000 0.826 304 Q CB -1.392 26.946 28.738 -0.667 0.000 0.895 304 Q HN 0.294 nan 8.270 nan 0.000 0.448 305 A N 1.106 123.143 122.820 -1.305 0.000 2.024 305 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 305 A C 2.208 179.300 177.584 -0.820 0.000 1.164 305 A CA 1.692 52.934 52.037 -1.325 0.000 0.643 305 A CB -0.992 17.152 19.000 -1.427 0.000 0.806 305 A HN 0.460 nan 8.150 nan 0.000 0.451 306 G N -0.488 107.861 108.800 -0.752 0.000 2.509 306 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.218 306 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.218 306 G C 1.390 176.094 174.900 -0.327 0.000 1.124 306 G CA 0.809 45.512 45.100 -0.662 0.000 0.776 306 G HN 0.471 nan 8.290 nan 0.000 0.547 307 L N -0.342 120.729 121.223 -0.254 0.000 2.156 307 L HA 0.060 4.400 4.340 -0.000 0.000 0.208 307 L C 2.743 179.535 176.870 -0.129 0.000 1.095 307 L CA 0.268 55.032 54.840 -0.127 0.000 0.770 307 L CB -0.253 41.774 42.059 -0.054 0.000 0.914 307 L HN 0.190 nan 8.230 nan 0.000 0.439 308 L N -0.307 120.810 121.223 -0.176 0.000 2.017 308 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 308 L C -0.214 176.571 176.870 -0.142 0.000 1.073 308 L CA 1.534 56.355 54.840 -0.033 0.000 0.745 308 L CB -1.644 40.525 42.059 0.182 0.000 0.894 308 L HN 0.185 nan 8.230 nan 0.000 0.432 309 P HA -0.156 nan 4.420 nan 0.000 0.217 309 P C 1.897 179.079 177.300 -0.196 0.000 1.150 309 P CA 1.302 63.928 63.100 -0.789 0.000 0.832 309 P CB 0.081 31.209 31.700 -0.952 0.000 0.787 310 L N -1.662 119.472 121.223 -0.148 0.000 2.056 310 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 310 L C 2.436 179.316 176.870 0.017 0.000 1.078 310 L CA 1.318 56.122 54.840 -0.061 0.000 0.749 310 L CB -0.963 41.031 42.059 -0.107 0.000 0.901 310 L HN -0.026 nan 8.230 nan 0.000 0.433 311 L N -1.034 120.211 121.223 0.038 0.000 2.093 311 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 311 L C 2.617 179.579 176.870 0.154 0.000 1.085 311 L CA 1.207 56.098 54.840 0.085 0.000 0.755 311 L CB -0.547 41.571 42.059 0.097 0.000 0.904 311 L HN 0.315 nan 8.230 nan 0.000 0.435 312 H N 0.009 119.166 119.070 0.147 0.000 2.321 312 H HA -0.220 4.336 4.556 -0.000 0.000 0.300 312 H C 2.517 177.961 175.328 0.194 0.000 1.087 312 H CA 2.032 58.223 56.048 0.238 0.000 1.319 312 H CB 0.139 30.157 29.762 0.427 0.000 1.379 312 H HN 0.072 nan 8.280 nan 0.000 0.501 313 R N 0.158 120.852 120.500 0.324 0.000 2.081 313 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 313 R C 2.339 178.749 176.300 0.182 0.000 1.131 313 R CA 1.272 57.516 56.100 0.241 0.000 0.960 313 R CB -0.404 29.984 30.300 0.146 0.000 0.856 313 R HN 0.413 nan 8.270 nan 0.000 0.436 314 A N 1.187 124.080 122.820 0.121 0.000 1.873 314 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 314 A C 2.241 179.870 177.584 0.076 0.000 1.186 314 A CA 1.199 53.285 52.037 0.081 0.000 0.616 314 A CB -0.564 18.465 19.000 0.047 0.000 0.823 314 A HN 0.346 nan 8.150 nan 0.000 0.442 315 L N -1.379 119.888 121.223 0.073 0.000 2.046 315 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 315 L C 2.719 179.624 176.870 0.059 0.000 1.077 315 L CA 1.639 56.507 54.840 0.046 0.000 0.747 315 L CB -0.730 41.343 42.059 0.024 0.000 0.896 315 L HN 0.619 nan 8.230 nan 0.000 0.432 316 H N 0.338 119.394 119.070 -0.024 0.000 2.423 316 H HA -0.117 4.439 4.556 -0.000 0.000 0.297 316 H C 2.073 177.421 175.328 0.034 0.000 1.075 316 H CA 1.280 57.330 56.048 0.002 0.000 1.342 316 H CB 0.432 30.227 29.762 0.055 0.000 1.395 316 H HN 0.334 nan 8.280 nan 0.000 0.530 317 A N 0.636 123.505 122.820 0.081 0.000 2.067 317 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 317 A C 2.078 179.646 177.584 -0.026 0.000 1.158 317 A CA 1.010 53.061 52.037 0.022 0.000 0.661 317 A CB -0.241 18.800 19.000 0.069 0.000 0.801 317 A HN 0.564 nan 8.150 nan 0.000 0.452 318 Q N -1.299 118.489 119.800 -0.021 0.000 2.320 318 Q HA 0.269 4.609 4.340 -0.000 0.000 0.201 318 Q C 0.911 176.881 176.000 -0.051 0.000 0.910 318 Q CA 0.220 56.009 55.803 -0.023 0.000 0.946 318 Q CB 0.148 28.884 28.738 -0.003 0.000 1.062 318 Q HN 0.797 nan 8.270 nan 0.000 0.503 319 G N 2.208 110.941 108.800 -0.112 0.000 2.198 319 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 319 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 319 G C -0.282 174.574 174.900 -0.073 0.000 1.025 319 G CA 0.281 45.301 45.100 -0.134 0.000 0.769 319 G HN 0.404 nan 8.290 nan 0.000 0.507 320 D N 0.609 120.983 120.400 -0.043 0.000 2.451 320 D HA 0.187 4.827 4.640 -0.000 0.000 0.254 320 D C 0.240 176.548 176.300 0.013 0.000 1.204 320 D CA -0.939 53.058 54.000 -0.005 0.000 0.896 320 D CB 1.098 41.902 40.800 0.007 0.000 1.136 320 D HN 0.278 nan 8.370 nan 0.000 0.499 321 P HA 0.031 nan 4.420 nan 0.000 0.230 321 P C 0.722 178.045 177.300 0.038 0.000 1.168 321 P CA 0.209 63.326 63.100 0.029 0.000 0.793 321 P CB 0.338 32.047 31.700 0.016 0.000 0.851 322 A N 0.020 122.859 122.820 0.032 0.000 2.206 322 A HA 0.107 4.427 4.320 -0.000 0.000 0.211 322 A C 1.287 178.896 177.584 0.043 0.000 1.158 322 A CA -0.071 51.986 52.037 0.033 0.000 0.761 322 A CB -1.018 17.999 19.000 0.029 0.000 0.801 322 A HN 0.153 nan 8.150 nan 0.000 0.473 323 L N 1.284 122.534 121.223 0.046 0.000 2.513 323 L HA 0.041 4.381 4.340 -0.000 0.000 0.272 323 L C 1.106 178.043 176.870 0.111 0.000 1.187 323 L CA -0.277 54.593 54.840 0.049 0.000 0.895 323 L CB 0.608 42.634 42.059 -0.056 0.000 1.147 323 L HN 0.320 nan 8.230 nan 0.000 0.483 324 S N 3.369 119.150 115.700 0.135 0.000 2.566 324 S HA 0.063 4.533 4.470 -0.000 0.000 0.280 324 S C 0.859 175.487 174.600 0.046 0.000 1.343 324 S CA -0.328 57.900 58.200 0.047 0.000 1.036 324 S CB 0.549 63.741 63.200 -0.014 0.000 0.866 324 S HN 0.577 nan 8.310 nan 0.000 0.526 325 M N 3.214 122.722 119.600 -0.153 0.000 2.404 325 M HA 0.171 4.651 4.480 -0.000 0.000 0.271 325 M C 1.090 176.986 176.300 -0.673 0.000 1.128 325 M CA 0.217 55.411 55.300 -0.177 0.000 0.982 325 M CB -0.377 32.191 32.600 -0.053 0.000 1.445 325 M HN 0.838 nan 8.290 nan 0.000 0.495 326 S N -2.292 112.691 115.700 -1.194 0.000 2.684 326 S HA 0.244 4.714 4.470 -0.000 0.000 0.268 326 S C 0.179 173.577 174.600 -2.004 0.000 1.075 326 S CA -0.380 56.890 58.200 -1.551 0.000 1.184 326 S CB 0.628 63.150 63.200 -1.130 0.000 1.129 326 S HN 0.469 nan 8.310 nan 0.000 0.630 327 H N -1.188 117.044 119.070 -1.397 0.000 2.980 327 H HA 0.576 5.132 4.556 -0.000 0.000 0.367 327 H C -1.422 173.722 175.328 -0.307 0.000 1.206 327 H CA -0.888 54.704 56.048 -0.759 0.000 1.126 327 H CB 0.876 30.397 29.762 -0.402 0.000 1.838 327 H HN 0.288 nan 8.280 nan 0.000 0.552 328 W N 1.290 122.733 121.300 0.238 0.000 2.183 328 W HA 0.272 4.932 4.660 -0.000 0.000 0.348 328 W C 0.588 177.221 176.519 0.190 0.000 1.257 328 W CA -0.761 56.765 57.345 0.302 0.000 1.324 328 W CB 0.614 30.264 29.460 0.316 0.000 1.144 328 W HN 0.341 nan 8.180 nan 0.000 0.622 329 M N 3.237 123.193 119.600 0.594 0.000 3.435 329 M HA 0.142 4.622 4.480 -0.000 0.000 0.205 329 M C -1.128 175.439 176.300 0.444 0.000 1.324 329 M CA 0.345 55.880 55.300 0.393 0.000 1.455 329 M CB -0.898 31.897 32.600 0.325 0.000 1.240 329 M HN 0.320 nan 8.290 nan 0.000 0.477 330 F N -3.821 116.286 119.950 0.261 0.000 2.662 330 F HA 0.410 4.937 4.527 -0.000 0.000 0.312 330 F C -0.576 175.321 175.800 0.163 0.000 1.113 330 F CA -1.316 56.829 58.000 0.242 0.000 0.951 330 F CB 0.816 40.058 39.000 0.404 0.000 1.344 330 F HN -0.104 nan 8.300 nan 0.000 0.462 331 H N 2.890 122.033 119.070 0.121 0.000 3.205 331 H HA 0.160 4.716 4.556 -0.000 0.000 0.262 331 H C 0.622 175.890 175.328 -0.101 0.000 1.333 331 H CA 0.812 56.787 56.048 -0.122 0.000 1.499 331 H CB 0.894 30.545 29.762 -0.185 0.000 1.609 331 H HN 0.863 nan 8.280 nan 0.000 0.498 332 Q N 2.392 121.984 119.800 -0.346 0.000 2.096 332 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 332 Q C 2.194 178.232 176.000 0.063 0.000 0.982 332 Q CA 1.597 57.282 55.803 -0.197 0.000 0.850 332 Q CB 0.157 28.737 28.738 -0.264 0.000 0.901 332 Q HN 0.701 nan 8.270 nan 0.000 0.422 333 Q N 0.192 119.996 119.800 0.007 0.000 2.030 333 Q HA -0.211 4.128 4.340 -0.000 0.000 0.204 333 Q C 2.052 178.112 176.000 0.100 0.000 0.986 333 Q CA 1.538 57.371 55.803 0.049 0.000 0.843 333 Q CB -0.203 28.533 28.738 -0.003 0.000 0.904 333 Q HN 0.396 nan 8.270 nan 0.000 0.420 334 A N 0.774 123.668 122.820 0.124 0.000 1.933 334 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 334 A C 1.992 179.662 177.584 0.144 0.000 1.175 334 A CA 1.373 53.385 52.037 -0.042 0.000 0.628 334 A CB -0.712 18.038 19.000 -0.417 0.000 0.814 334 A HN 0.499 nan 8.150 nan 0.000 0.444 335 L N -0.148 121.229 121.223 0.257 0.000 2.027 335 L HA -0.194 4.146 4.340 -0.000 0.000 0.206 335 L C 2.496 179.551 176.870 0.309 0.000 1.074 335 L CA 2.353 57.407 54.840 0.358 0.000 0.745 335 L CB -0.771 41.614 42.059 0.544 0.000 0.898 335 L HN 0.504 nan 8.230 nan 0.000 0.433 336 Q N -0.531 119.410 119.800 0.234 0.000 2.096 336 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 336 Q C 2.096 178.172 176.000 0.127 0.000 0.982 336 Q CA 2.104 58.001 55.803 0.156 0.000 0.850 336 Q CB -0.249 28.549 28.738 0.100 0.000 0.901 336 Q HN 0.655 nan 8.270 nan 0.000 0.422 337 E N -0.118 120.155 120.200 0.121 0.000 2.051 337 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 337 E C 1.767 178.479 176.600 0.186 0.000 0.991 337 E CA 1.130 57.588 56.400 0.097 0.000 0.799 337 E CB -0.209 29.499 29.700 0.014 0.000 0.748 337 E HN 0.341 nan 8.360 nan 0.000 0.449 338 Y N 1.535 121.926 120.300 0.151 0.000 2.097 338 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 338 Y C 1.955 177.938 175.900 0.139 0.000 1.152 338 Y CA 1.521 59.733 58.100 0.186 0.000 1.136 338 Y CB -0.274 38.284 38.460 0.164 0.000 0.975 338 Y HN -0.051 nan 8.280 nan 0.000 0.498 339 I N -0.415 120.158 120.570 0.006 0.000 2.142 339 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 339 I C 2.404 178.469 176.117 -0.086 0.000 1.078 339 I CA 1.616 62.866 61.300 -0.084 0.000 1.343 339 I CB -0.589 37.449 38.000 0.062 0.000 1.046 339 I HN 0.236 nan 8.210 nan 0.000 0.405 340 L N -0.332 120.891 121.223 0.000 0.000 2.046 340 L HA -0.219 4.120 4.340 -0.000 0.000 0.208 340 L C 2.586 179.472 176.870 0.026 0.000 1.077 340 L CA 1.534 56.388 54.840 0.023 0.000 0.747 340 L CB -0.366 41.718 42.059 0.042 0.000 0.896 340 L HN 0.287 nan 8.230 nan 0.000 0.432 341 M N -2.031 117.596 119.600 0.045 0.000 2.334 341 M HA -0.089 4.391 4.480 -0.000 0.000 0.266 341 M C 1.833 178.126 176.300 -0.013 0.000 1.082 341 M CA 0.898 56.255 55.300 0.096 0.000 1.141 341 M CB 0.022 32.773 32.600 0.252 0.000 1.380 341 M HN 0.361 nan 8.290 nan 0.000 0.440 342 C N -1.797 117.401 119.300 -0.170 0.000 3.188 342 C HA 0.161 4.621 4.460 -0.000 0.000 0.315 342 C C 1.864 176.668 174.990 -0.309 0.000 1.285 342 C CA -0.489 58.359 59.018 -0.285 0.000 1.729 342 C CB -0.324 27.137 27.740 -0.464 0.000 2.257 342 C HN 0.561 nan 8.230 nan 0.000 0.645 343 C N 1.017 120.131 119.300 -0.309 0.000 2.884 343 C HA 0.215 4.675 4.460 -0.000 0.000 0.287 343 C C 0.611 175.523 174.990 -0.130 0.000 1.310 343 C CA -0.155 58.728 59.018 -0.225 0.000 1.725 343 C CB -1.733 25.869 27.740 -0.231 0.000 2.060 343 C HN 0.603 nan 8.230 nan 0.000 0.618 344 Q N 0.231 119.982 119.800 -0.081 0.000 2.256 344 Q HA 0.358 4.698 4.340 -0.000 0.000 0.257 344 Q C -0.525 175.461 176.000 -0.023 0.000 0.936 344 Q CA -0.100 55.700 55.803 -0.006 0.000 0.903 344 Q CB 1.912 30.699 28.738 0.082 0.000 1.263 344 Q HN 0.457 nan 8.270 nan 0.000 0.440 345 C N 4.278 123.565 119.300 -0.023 0.000 2.369 345 C HA 0.328 4.788 4.460 -0.000 0.000 0.358 345 C C -1.304 173.656 174.990 -0.049 0.000 1.274 345 C CA -1.888 57.085 59.018 -0.074 0.000 1.935 345 C CB 0.126 27.771 27.740 -0.158 0.000 2.431 345 C HN 0.737 nan 8.230 nan 0.000 0.545 346 P HA -0.082 nan 4.420 nan 0.000 0.216 346 P C 1.186 178.443 177.300 -0.072 0.000 1.150 346 P CA 2.057 65.121 63.100 -0.059 0.000 0.843 346 P CB 0.073 31.741 31.700 -0.053 0.000 0.787 347 A N -1.301 121.472 122.820 -0.080 0.000 2.206 347 A HA 0.441 4.761 4.320 -0.000 0.000 0.211 347 A C 1.066 178.601 177.584 -0.082 0.000 1.158 347 A CA 0.952 52.945 52.037 -0.073 0.000 0.761 347 A CB -0.967 17.992 19.000 -0.067 0.000 0.801 347 A HN 0.342 nan 8.150 nan 0.000 0.473 348 G N -3.066 105.667 108.800 -0.111 0.000 2.484 348 G HA2 0.539 4.499 3.960 -0.000 0.000 0.685 348 G HA3 0.539 4.499 3.960 -0.000 0.000 0.685 348 G C 0.349 175.067 174.900 -0.302 0.000 1.294 348 G CA -0.191 44.877 45.100 -0.052 0.000 0.879 348 G HN 2.382 nan 8.290 nan 0.000 0.646 349 G N -1.285 107.498 108.800 -0.029 0.000 2.712 349 G HA2 0.332 4.292 3.960 -0.000 0.000 0.686 349 G HA3 0.332 4.292 3.960 -0.000 0.000 0.686 349 G C -0.553 174.200 174.900 -0.245 0.000 1.321 349 G CA 0.142 45.012 45.100 -0.384 0.000 0.813 349 G HN 1.637 nan 8.290 nan 0.000 0.599 350 L N 0.177 121.268 121.223 -0.221 0.000 2.286 350 L HA 0.964 5.304 4.340 -0.000 0.000 0.265 350 L C 0.545 177.348 176.870 -0.111 0.000 1.012 350 L CA -0.969 53.767 54.840 -0.172 0.000 0.818 350 L CB 1.824 43.767 42.059 -0.193 0.000 1.337 350 L HN 0.975 nan 8.230 nan 0.000 0.438 351 L N -3.127 118.025 121.223 -0.120 0.000 2.397 351 L HA 0.697 5.037 4.340 -0.000 0.000 0.251 351 L C 0.342 177.058 176.870 -0.257 0.000 1.064 351 L CA -0.722 53.998 54.840 -0.200 0.000 0.859 351 L CB 0.688 42.628 42.059 -0.198 0.000 1.468 351 L HN 0.450 nan 8.230 nan 0.000 0.411 352 D N 0.170 120.244 120.400 -0.543 0.000 2.078 352 D HA -0.079 4.561 4.640 -0.000 0.000 0.193 352 D C 0.038 176.317 176.300 -0.035 0.000 0.990 352 D CA 2.238 56.020 54.000 -0.365 0.000 0.827 352 D CB 0.335 40.854 40.800 -0.469 0.000 0.975 352 D HN 0.720 nan 8.370 nan 0.000 0.451 353 K N -2.069 118.298 120.400 -0.055 0.000 2.615 353 K HA 0.515 4.835 4.320 -0.000 0.000 0.291 353 K C -3.042 173.534 176.600 -0.040 0.000 1.017 353 K CA -1.720 54.587 56.287 0.032 0.000 0.882 353 K CB 1.280 33.855 32.500 0.125 0.000 1.522 353 K HN -0.306 nan 8.250 nan 0.000 0.412 354 P HA 0.036 nan 4.420 nan 0.000 0.263 354 P C 0.439 177.714 177.300 -0.042 0.000 1.195 354 P CA 1.702 64.768 63.100 -0.056 0.000 0.762 354 P CB 0.608 32.275 31.700 -0.055 0.000 0.799 355 G N 1.781 110.549 108.800 -0.052 0.000 2.259 355 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 355 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 355 G C 0.098 174.967 174.900 -0.051 0.000 1.001 355 G CA -0.356 44.718 45.100 -0.043 0.000 0.627 355 G HN 0.451 nan 8.290 nan 0.000 0.501 356 K N 1.678 122.037 120.400 -0.069 0.000 2.098 356 K HA 0.644 4.964 4.320 -0.000 0.000 0.261 356 K C 0.651 177.191 176.600 -0.101 0.000 0.987 356 K CA 0.114 56.348 56.287 -0.088 0.000 0.916 356 K CB 1.446 33.870 32.500 -0.128 0.000 1.039 356 K HN 0.525 nan 8.250 nan 0.000 0.455 357 S N 1.460 117.105 115.700 -0.092 0.000 2.586 357 S HA 0.339 4.809 4.470 -0.000 0.000 0.274 357 S C 0.362 174.900 174.600 -0.104 0.000 1.281 357 S CA -0.971 57.176 58.200 -0.088 0.000 1.035 357 S CB 1.020 64.183 63.200 -0.062 0.000 0.962 357 S HN 0.570 nan 8.310 nan 0.000 0.512 358 R N 0.554 120.981 120.500 -0.122 0.000 2.827 358 R HA 0.447 4.786 4.340 -0.000 0.000 0.269 358 R C -0.990 175.289 176.300 -0.035 0.000 1.048 358 R CA -0.269 55.748 56.100 -0.138 0.000 1.173 358 R CB -0.348 29.773 30.300 -0.298 0.000 1.070 358 R HN 0.851 nan 8.270 nan 0.000 0.498 359 D N -0.721 119.695 120.400 0.027 0.000 2.683 359 D HA 0.099 4.739 4.640 -0.000 0.000 0.246 359 D C -0.351 175.977 176.300 0.047 0.000 1.238 359 D CA -0.796 53.280 54.000 0.126 0.000 0.759 359 D CB 0.014 40.932 40.800 0.197 0.000 1.349 359 D HN 0.368 nan 8.370 nan 0.000 0.426 360 F N -0.508 119.617 119.950 0.292 0.000 2.216 360 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 360 F C 2.007 177.651 175.800 -0.261 0.000 1.085 360 F CA 0.870 58.921 58.000 0.086 0.000 1.326 360 F CB -0.424 38.660 39.000 0.140 0.000 1.027 360 F HN 0.507 nan 8.300 nan 0.000 0.497 361 Y N 0.427 120.351 120.300 -0.626 0.000 2.114 361 Y HA -0.286 4.264 4.550 -0.000 0.000 0.284 361 Y C 2.433 177.999 175.900 -0.556 0.000 1.143 361 Y CA 2.063 59.432 58.100 -1.219 0.000 1.135 361 Y CB -0.840 36.961 38.460 -1.098 0.000 0.980 361 Y HN 0.055 nan 8.280 nan 0.000 0.499 362 H N -1.282 117.695 119.070 -0.154 0.000 2.495 362 H HA -0.057 4.499 4.556 -0.000 0.000 0.287 362 H C 2.113 177.317 175.328 -0.207 0.000 1.033 362 H CA 1.668 57.622 56.048 -0.158 0.000 1.307 362 H CB -0.101 29.646 29.762 -0.024 0.000 1.401 362 H HN 0.308 nan 8.280 nan 0.000 0.555 363 T N -0.724 113.776 114.554 -0.089 0.000 2.777 363 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 363 T C 2.329 176.899 174.700 -0.216 0.000 1.040 363 T CA 1.243 63.276 62.100 -0.113 0.000 1.141 363 T CB -0.623 68.262 68.868 0.029 0.000 0.868 363 T HN 0.559 nan 8.240 nan 0.000 0.444 364 C N 0.684 119.780 119.300 -0.339 0.000 2.432 364 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 364 C C 2.350 176.935 174.990 -0.675 0.000 1.249 364 C CA 0.520 59.230 59.018 -0.514 0.000 1.725 364 C CB -1.424 25.913 27.740 -0.673 0.000 2.028 364 C HN 0.655 nan 8.230 nan 0.000 0.477 365 Y N -0.272 119.753 120.300 -0.458 0.000 2.337 365 Y HA -0.031 4.518 4.550 -0.000 0.000 0.293 365 Y C 2.880 178.621 175.900 -0.264 0.000 1.123 365 Y CA 1.339 59.144 58.100 -0.492 0.000 1.201 365 Y CB -0.624 37.357 38.460 -0.798 0.000 1.011 365 Y HN 0.372 nan 8.280 nan 0.000 0.545 366 C N -0.049 119.196 119.300 -0.092 0.000 2.446 366 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 366 C C 2.672 177.639 174.990 -0.038 0.000 1.275 366 C CA 0.871 59.875 59.018 -0.023 0.000 1.727 366 C CB -1.185 26.534 27.740 -0.035 0.000 2.010 366 C HN 0.527 nan 8.230 nan 0.000 0.486 367 L N 0.262 121.420 121.223 -0.109 0.000 2.056 367 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 367 L C 2.664 179.500 176.870 -0.056 0.000 1.078 367 L CA 1.336 56.117 54.840 -0.099 0.000 0.749 367 L CB -0.694 41.269 42.059 -0.160 0.000 0.901 367 L HN 0.281 nan 8.230 nan 0.000 0.433 368 S N 0.136 115.788 115.700 -0.080 0.000 2.370 368 S HA -0.148 4.321 4.470 -0.000 0.000 0.226 368 S C 2.003 176.711 174.600 0.180 0.000 1.033 368 S CA 1.332 59.552 58.200 0.034 0.000 1.011 368 S CB -0.613 62.501 63.200 -0.143 0.000 0.852 368 S HN 0.616 nan 8.310 nan 0.000 0.457 369 G N 1.547 110.439 108.800 0.154 0.000 2.402 369 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 369 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 369 G C 1.382 176.372 174.900 0.149 0.000 1.162 369 G CA 0.791 45.977 45.100 0.144 0.000 0.777 369 G HN 0.407 nan 8.290 nan 0.000 0.539 370 L N 1.166 122.456 121.223 0.112 0.000 2.012 370 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 370 L C 2.916 179.838 176.870 0.086 0.000 1.073 370 L CA 2.520 57.421 54.840 0.102 0.000 0.748 370 L CB -0.871 41.219 42.059 0.052 0.000 0.891 370 L HN 0.242 nan 8.230 nan 0.000 0.431 371 S N -0.691 115.059 115.700 0.084 0.000 2.359 371 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 371 S C 2.088 176.789 174.600 0.169 0.000 1.035 371 S CA 1.781 60.038 58.200 0.095 0.000 1.018 371 S CB -0.463 62.837 63.200 0.167 0.000 0.876 371 S HN 0.487 nan 8.310 nan 0.000 0.448 372 I N 1.475 122.188 120.570 0.239 0.000 2.208 372 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 372 I C 2.738 179.140 176.117 0.476 0.000 1.097 372 I CA 1.275 62.758 61.300 0.306 0.000 1.363 372 I CB -0.531 37.557 38.000 0.148 0.000 1.051 372 I HN 0.411 nan 8.210 nan 0.000 0.413 373 A N -0.235 122.843 122.820 0.431 0.000 2.015 373 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 373 A C 2.180 179.893 177.584 0.214 0.000 1.163 373 A CA 1.312 53.635 52.037 0.476 0.000 0.646 373 A CB -0.382 18.890 19.000 0.454 0.000 0.806 373 A HN 0.501 nan 8.150 nan 0.000 0.448 374 Q N -1.034 118.792 119.800 0.043 0.000 2.302 374 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 374 Q C -0.276 175.591 176.000 -0.221 0.000 0.936 374 Q CA 0.517 56.202 55.803 -0.197 0.000 0.886 374 Q CB 0.200 28.655 28.738 -0.471 0.000 0.986 374 Q HN 0.707 nan 8.270 nan 0.000 0.487 375 H N -0.763 118.434 119.070 0.211 0.000 2.539 375 H HA 0.233 4.789 4.556 -0.000 0.000 0.332 375 H C -1.531 173.950 175.328 0.255 0.000 1.031 375 H CA -0.731 55.422 56.048 0.174 0.000 1.206 375 H CB 0.574 30.433 29.762 0.161 0.000 1.446 375 H HN 0.030 nan 8.280 nan 0.000 0.496 376 F N 2.033 121.930 119.950 -0.088 0.000 2.436 376 F HA 0.610 5.137 4.527 -0.000 0.000 0.340 376 F C -0.208 175.390 175.800 -0.337 0.000 1.113 376 F CA -0.418 57.198 58.000 -0.639 0.000 1.022 376 F CB 1.729 40.160 39.000 -0.949 0.000 1.128 376 F HN 0.582 nan 8.300 nan 0.000 0.466 377 G N 2.849 110.966 108.800 -1.139 0.000 2.618 377 G HA2 0.383 4.343 3.960 -0.000 0.000 0.280 377 G HA3 0.383 4.343 3.960 -0.000 0.000 0.280 377 G C -1.656 172.807 174.900 -0.728 0.000 1.458 377 G CA -0.622 44.112 45.100 -0.611 0.000 1.224 377 G HN 0.675 nan 8.290 nan 0.000 0.576 378 S N 1.886 117.224 115.700 -0.602 0.000 2.080 378 S HA 0.575 5.045 4.470 -0.000 0.000 0.162 378 S C 1.262 175.774 174.600 -0.148 0.000 1.618 378 S CA 0.893 58.867 58.200 -0.376 0.000 1.200 378 S CB -0.631 62.402 63.200 -0.279 0.000 1.135 378 S HN 2.268 nan 8.310 nan 0.000 0.455 379 G N 2.968 111.712 108.800 -0.093 0.000 2.609 379 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.288 379 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.288 379 G C 1.160 176.057 174.900 -0.005 0.000 1.211 379 G CA 0.090 45.181 45.100 -0.016 0.000 0.963 379 G HN 1.299 nan 8.290 nan 0.000 0.541 380 A N 0.191 123.021 122.820 0.018 0.000 1.968 380 A HA 0.419 4.739 4.320 -0.000 0.000 0.217 380 A C 1.632 179.229 177.584 0.021 0.000 1.169 380 A CA 1.975 54.025 52.037 0.022 0.000 0.638 380 A CB -0.348 18.672 19.000 0.033 0.000 0.812 380 A HN 0.703 nan 8.150 nan 0.000 0.446 381 M N 0.375 119.994 119.600 0.032 0.000 2.228 381 M HA 0.459 4.939 4.480 -0.000 0.000 0.351 381 M C -0.901 175.442 176.300 0.071 0.000 1.233 381 M CA 0.640 55.976 55.300 0.061 0.000 1.129 381 M CB 0.083 32.753 32.600 0.116 0.000 1.604 381 M HN 0.145 nan 8.290 nan 0.000 0.457 382 L N 2.822 124.099 121.223 0.089 0.000 2.505 382 L HA 0.440 4.780 4.340 -0.000 0.000 0.266 382 L C -1.184 175.776 176.870 0.150 0.000 0.954 382 L CA -0.539 54.359 54.840 0.098 0.000 0.852 382 L CB 2.246 44.324 42.059 0.031 0.000 1.282 382 L HN 0.755 nan 8.230 nan 0.000 0.403 383 H N 1.385 120.484 119.070 0.049 0.000 3.017 383 H HA 0.464 5.020 4.556 -0.000 0.000 0.340 383 H C -1.701 173.605 175.328 -0.036 0.000 1.014 383 H CA -0.466 55.539 56.048 -0.071 0.000 1.341 383 H CB 1.574 31.163 29.762 -0.288 0.000 1.739 383 H HN 0.452 nan 8.280 nan 0.000 0.506 384 D N 3.152 123.230 120.400 -0.536 0.000 2.217 384 D HA 0.463 5.103 4.640 -0.000 0.000 0.248 384 D C -0.545 175.454 176.300 -0.501 0.000 1.008 384 D CA -0.449 53.349 54.000 -0.338 0.000 0.914 384 D CB 2.350 43.108 40.800 -0.069 0.000 1.182 384 D HN 0.233 nan 8.370 nan 0.000 0.451 385 V N 1.678 121.440 119.914 -0.254 0.000 2.462 385 V HA 0.223 4.343 4.120 -0.000 0.000 0.288 385 V C -0.575 175.456 176.094 -0.104 0.000 1.020 385 V CA -0.722 61.485 62.300 -0.155 0.000 0.857 385 V CB 1.841 33.622 31.823 -0.069 0.000 1.013 385 V HN 0.288 nan 8.190 nan 0.000 0.431 386 V N 5.804 125.667 119.914 -0.084 0.000 2.275 386 V HA 0.414 4.534 4.120 -0.000 0.000 0.272 386 V C 0.319 176.388 176.094 -0.041 0.000 1.028 386 V CA -0.479 61.785 62.300 -0.061 0.000 0.810 386 V CB 1.305 33.098 31.823 -0.049 0.000 1.043 386 V HN 0.707 nan 8.190 nan 0.000 0.453 387 M N 2.980 122.562 119.600 -0.029 0.000 2.243 387 M HA 0.465 4.945 4.480 -0.000 0.000 0.341 387 M C 1.113 177.398 176.300 -0.026 0.000 1.130 387 M CA 1.091 56.376 55.300 -0.026 0.000 1.162 387 M CB 0.348 32.940 32.600 -0.012 0.000 1.497 387 M HN 0.909 nan 8.290 nan 0.000 0.456 388 G N 1.117 109.895 108.800 -0.037 0.000 2.645 388 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.239 388 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.239 388 G C -0.279 174.603 174.900 -0.031 0.000 1.331 388 G CA -0.315 44.763 45.100 -0.038 0.000 0.890 388 G HN 1.226 nan 8.290 nan 0.000 0.572 389 V N -0.962 118.937 119.914 -0.025 0.000 2.763 389 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 389 V C 0.049 176.134 176.094 -0.015 0.000 1.059 389 V CA 0.223 62.511 62.300 -0.020 0.000 1.138 389 V CB 0.947 32.761 31.823 -0.016 0.000 0.940 389 V HN 0.826 nan 8.190 nan 0.000 0.489 390 P HA -0.119 nan 4.420 nan 0.000 0.221 390 P C 0.951 178.249 177.300 -0.003 0.000 1.145 390 P CA 1.282 64.375 63.100 -0.011 0.000 0.795 390 P CB 0.297 31.990 31.700 -0.012 0.000 0.775 391 E N -0.221 119.977 120.200 -0.004 0.000 2.409 391 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 391 E C 1.633 178.238 176.600 0.009 0.000 1.024 391 E CA 0.406 56.806 56.400 0.000 0.000 0.861 391 E CB -0.926 28.771 29.700 -0.005 0.000 0.788 391 E HN 0.236 nan 8.360 nan 0.000 0.521 392 N N 0.216 118.920 118.700 0.008 0.000 2.443 392 N HA -0.082 4.657 4.740 -0.000 0.000 0.184 392 N C 0.208 175.727 175.510 0.015 0.000 1.037 392 N CA 0.223 53.282 53.050 0.015 0.000 0.896 392 N CB -0.056 38.436 38.487 0.007 0.000 0.959 392 N HN 0.091 nan 8.380 nan 0.000 0.442 393 V N 2.080 122.004 119.914 0.017 0.000 2.540 393 V HA 0.028 4.148 4.120 -0.000 0.000 0.297 393 V C 0.126 176.263 176.094 0.071 0.000 1.024 393 V CA 0.006 62.328 62.300 0.036 0.000 1.105 393 V CB -0.139 31.725 31.823 0.068 0.000 0.938 393 V HN 0.026 nan 8.190 nan 0.000 0.482 394 L N 5.760 127.041 121.223 0.097 0.000 2.376 394 L HA 0.554 4.894 4.340 -0.000 0.000 0.267 394 L C 0.143 177.146 176.870 0.222 0.000 1.035 394 L CA -0.994 53.915 54.840 0.114 0.000 0.800 394 L CB 1.073 43.173 42.059 0.068 0.000 1.290 394 L HN 0.463 nan 8.230 nan 0.000 0.462 395 Q N 1.727 121.601 119.800 0.124 0.000 2.340 395 Q HA 0.276 4.616 4.340 -0.000 0.000 0.249 395 Q C -2.244 173.846 176.000 0.150 0.000 0.957 395 Q CA -1.611 54.249 55.803 0.096 0.000 0.882 395 Q CB 0.764 29.525 28.738 0.038 0.000 1.235 395 Q HN 0.264 nan 8.270 nan 0.000 0.439 396 P HA 0.056 nan 4.420 nan 0.000 0.274 396 P C -0.470 176.947 177.300 0.195 0.000 1.237 396 P CA -0.125 63.068 63.100 0.156 0.000 0.793 396 P CB 0.895 32.574 31.700 -0.035 0.000 0.977 397 T N 0.092 114.799 114.554 0.256 0.000 2.893 397 T HA 0.192 4.542 4.350 -0.000 0.000 0.291 397 T C -0.720 174.170 174.700 0.317 0.000 1.028 397 T CA -0.506 61.783 62.100 0.315 0.000 0.995 397 T CB 0.357 69.444 68.868 0.366 0.000 1.051 397 T HN 0.379 nan 8.240 nan 0.000 0.470 398 H N 5.836 125.074 119.070 0.280 0.000 2.819 398 H HA 0.228 4.784 4.556 -0.000 0.000 0.303 398 H C -1.558 173.973 175.328 0.338 0.000 1.058 398 H CA -1.743 54.478 56.048 0.288 0.000 1.471 398 H CB 1.819 31.783 29.762 0.337 0.000 1.480 398 H HN 0.441 nan 8.280 nan 0.000 0.517 399 P HA -0.134 nan 4.420 nan 0.000 0.225 399 P C 1.214 178.785 177.300 0.452 0.000 1.148 399 P CA 0.569 63.819 63.100 0.249 0.000 0.779 399 P CB 0.627 32.308 31.700 -0.032 0.000 0.780 400 V N -1.718 118.509 119.914 0.522 0.000 2.492 400 V HA -0.086 4.034 4.120 -0.000 0.000 0.241 400 V C 2.156 178.476 176.094 0.378 0.000 1.041 400 V CA 1.440 63.928 62.300 0.312 0.000 1.057 400 V CB -1.053 30.777 31.823 0.012 0.000 0.711 400 V HN -0.035 nan 8.190 nan 0.000 0.468 401 Y N -0.588 120.071 120.300 0.598 0.000 2.497 401 Y HA 0.271 4.821 4.550 -0.000 0.000 0.265 401 Y C 1.358 177.482 175.900 0.373 0.000 1.111 401 Y CA 0.213 58.577 58.100 0.440 0.000 1.288 401 Y CB 0.005 38.539 38.460 0.123 0.000 1.082 401 Y HN 0.363 nan 8.280 nan 0.000 0.536 402 N N 1.118 120.122 118.700 0.508 0.000 2.738 402 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 402 N C -0.898 174.551 175.510 -0.102 0.000 1.047 402 N CA 0.971 54.115 53.050 0.156 0.000 0.707 402 N CB -1.448 36.907 38.487 -0.220 0.000 0.937 402 N HN 0.638 nan 8.380 nan 0.000 0.545 403 I N -4.382 116.294 120.570 0.177 0.000 3.074 403 I HA 0.740 4.910 4.170 -0.000 0.000 0.310 403 I C 0.970 177.265 176.117 0.298 0.000 1.153 403 I CA -1.054 60.361 61.300 0.191 0.000 0.993 403 I CB 1.553 39.627 38.000 0.123 0.000 1.237 403 I HN 0.002 nan 8.210 nan 0.000 0.443 404 G N 2.336 111.292 108.800 0.261 0.000 2.353 404 G HA2 0.276 4.236 3.960 -0.000 0.000 0.239 404 G HA3 0.276 4.236 3.960 -0.000 0.000 0.239 404 G C -1.950 173.071 174.900 0.202 0.000 1.295 404 G CA -0.699 44.527 45.100 0.210 0.000 0.884 404 G HN 0.606 nan 8.290 nan 0.000 0.537 405 P HA -0.149 nan 4.420 nan 0.000 0.217 405 P C 1.620 179.018 177.300 0.164 0.000 1.148 405 P CA 1.571 64.838 63.100 0.278 0.000 0.828 405 P CB 0.201 32.037 31.700 0.226 0.000 0.783 406 D N -0.632 119.836 120.400 0.113 0.000 2.144 406 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 406 D C 1.434 177.771 176.300 0.063 0.000 0.978 406 D CA 1.150 55.195 54.000 0.075 0.000 0.833 406 D CB -0.514 40.320 40.800 0.057 0.000 0.961 406 D HN 0.086 nan 8.370 nan 0.000 0.470 407 K N 0.841 121.280 120.400 0.066 0.000 2.097 407 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 407 K C 2.486 179.095 176.600 0.015 0.000 1.050 407 K CA 0.272 56.592 56.287 0.055 0.000 0.938 407 K CB -0.611 31.924 32.500 0.058 0.000 0.718 407 K HN 0.165 nan 8.250 nan 0.000 0.442 408 V N 2.075 121.968 119.914 -0.034 0.000 2.237 408 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 408 V C 2.412 178.445 176.094 -0.101 0.000 1.046 408 V CA 1.591 63.782 62.300 -0.182 0.000 1.007 408 V CB -0.404 31.243 31.823 -0.294 0.000 0.638 408 V HN 0.176 nan 8.190 nan 0.000 0.445 409 I N -0.395 120.168 120.570 -0.012 0.000 2.163 409 I HA -0.358 3.811 4.170 -0.000 0.000 0.243 409 I C 2.677 178.798 176.117 0.006 0.000 1.085 409 I CA 2.104 63.412 61.300 0.014 0.000 1.347 409 I CB -0.475 37.553 38.000 0.048 0.000 1.044 409 I HN 0.412 nan 8.210 nan 0.000 0.408 410 Q N 0.872 120.687 119.800 0.026 0.000 2.030 410 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 410 Q C 2.334 178.329 176.000 -0.008 0.000 0.986 410 Q CA 2.325 58.154 55.803 0.043 0.000 0.843 410 Q CB -0.139 28.657 28.738 0.096 0.000 0.904 410 Q HN 0.557 nan 8.270 nan 0.000 0.420 411 A N 0.278 123.095 122.820 -0.004 0.000 1.858 411 A HA -0.231 4.088 4.320 -0.000 0.000 0.216 411 A C 2.314 179.869 177.584 -0.047 0.000 1.190 411 A CA 2.407 54.367 52.037 -0.128 0.000 0.617 411 A CB -1.469 17.575 19.000 0.073 0.000 0.827 411 A HN 0.703 nan 8.150 nan 0.000 0.443 412 T N -2.814 111.732 114.554 -0.015 0.000 2.684 412 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 412 T C 1.823 176.524 174.700 0.002 0.000 1.036 412 T CA 2.291 64.401 62.100 0.018 0.000 1.148 412 T CB -1.304 67.552 68.868 -0.021 0.000 0.863 412 T HN 0.334 nan 8.240 nan 0.000 0.436 413 T N 0.886 115.421 114.554 -0.031 0.000 2.684 413 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 413 T C 1.735 176.374 174.700 -0.102 0.000 1.036 413 T CA 1.925 63.999 62.100 -0.044 0.000 1.148 413 T CB -0.639 68.214 68.868 -0.024 0.000 0.863 413 T HN 0.817 nan 8.240 nan 0.000 0.436 414 H N 0.091 118.982 119.070 -0.299 0.000 2.353 414 H HA 0.015 4.570 4.556 -0.000 0.000 0.300 414 H C 1.726 176.761 175.328 -0.488 0.000 1.090 414 H CA 1.538 57.302 56.048 -0.474 0.000 1.327 414 H CB -0.491 28.750 29.762 -0.868 0.000 1.383 414 H HN 0.429 nan 8.280 nan 0.000 0.508 415 F N -0.176 119.615 119.950 -0.264 0.000 2.502 415 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 415 F C 1.941 177.622 175.800 -0.198 0.000 1.111 415 F CA 0.235 58.091 58.000 -0.240 0.000 1.445 415 F CB 0.096 39.014 39.000 -0.137 0.000 1.081 415 F HN 0.156 nan 8.300 nan 0.000 0.558 416 L N -0.343 120.861 121.223 -0.032 0.000 2.478 416 L HA -0.139 4.201 4.340 -0.000 0.000 0.223 416 L C 1.960 178.773 176.870 -0.095 0.000 1.140 416 L CA 0.765 55.580 54.840 -0.042 0.000 0.842 416 L CB -0.403 41.638 42.059 -0.030 0.000 0.953 416 L HN 0.237 nan 8.230 nan 0.000 0.452 417 Q N -0.337 119.360 119.800 -0.172 0.000 2.187 417 Q HA -0.021 4.319 4.340 -0.000 0.000 0.199 417 Q C 0.340 176.244 176.000 -0.160 0.000 0.957 417 Q CA 0.670 56.364 55.803 -0.181 0.000 0.857 417 Q CB 0.212 28.792 28.738 -0.264 0.000 0.929 417 Q HN 0.313 nan 8.270 nan 0.000 0.453 418 K N 1.912 122.220 120.400 -0.153 0.000 2.126 418 K HA 0.287 4.607 4.320 -0.000 0.000 0.257 418 K C -2.320 174.225 176.600 -0.091 0.000 1.007 418 K CA -1.616 54.614 56.287 -0.094 0.000 0.928 418 K CB 0.382 32.871 32.500 -0.018 0.000 1.013 418 K HN -0.023 nan 8.250 nan 0.000 0.473 419 P HA 0.165 nan 4.420 nan 0.000 0.287 419 P C -0.316 176.931 177.300 -0.088 0.000 1.270 419 P CA -0.655 62.329 63.100 -0.193 0.000 0.844 419 P CB 0.929 32.349 31.700 -0.467 0.000 1.068 420 V N 4.281 124.160 119.914 -0.059 0.000 2.509 420 V HA -0.026 4.094 4.120 -0.000 0.000 0.297 420 V C -1.806 174.329 176.094 0.069 0.000 1.014 420 V CA -0.527 61.781 62.300 0.012 0.000 1.127 420 V CB -1.003 30.835 31.823 0.026 0.000 0.925 420 V HN 0.585 nan 8.190 nan 0.000 0.480 421 P HA 0.062 nan 4.420 nan 0.000 0.261 421 P C 1.056 178.461 177.300 0.175 0.000 1.158 421 P CA 1.886 65.067 63.100 0.135 0.000 0.758 421 P CB 0.230 31.989 31.700 0.099 0.000 0.763 422 G N 1.912 110.849 108.800 0.229 0.000 2.490 422 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.214 422 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.214 422 G C 0.205 175.322 174.900 0.361 0.000 1.151 422 G CA -0.015 45.196 45.100 0.184 0.000 0.684 422 G HN 0.591 nan 8.290 nan 0.000 0.518 423 F N 0.000 119.963 119.950 0.022 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.011 58.000 0.019 0.000 1.383 423 F CB 0.000 39.008 39.000 0.013 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574