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 3fcp_1_C DATA FIRST_RESID 5 DATA SEQUENCE ATVEQIESWI VDVPTIXXXX XXXXXXXCQS LVIVRLTRSD GICGIGEATT DATA SEQUENCE IGGLSYGVES PEAISSAITH YLTPLLKGQP ADNLNALTAR MNGAIKGNTF DATA SEQUENCE AKSAIETALL DAQGKALGLP VSALLGGALQ TALPVLWTLA SGDTAKDIAE DATA SEQUENCE GEKLLAXXXX RAFKLKIGAR ELATDLRHTR AIVEALGDRA SIRVDVNQAW DATA SEQUENCE DAATGAKGCR ELAAMGVDLI EQPVSAHDNA ALVRLSQQIE TAILADEAVA DATA SEQUENCE TAYDGYQLAQ QGFTGAYALK IAKAGGPNSV LALARVAQAA GIGLYGGTML DATA SEQUENCE EGTVGTVASL HAWSTLPLQW GTEMFGPLLL KDDIVSVPLT FADGQVALPQ DATA SEQUENCE TPGLGVELDE DKLHFYTRQ 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.583 177.584 -0.002 0.000 1.274 5 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 5 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 6 T N -1.621 112.933 114.554 -0.001 0.000 2.930 6 T HA 0.717 5.066 4.350 -0.002 0.000 0.290 6 T C -0.294 174.405 174.700 -0.001 0.000 1.052 6 T CA -0.257 61.843 62.100 -0.001 0.000 1.017 6 T CB 1.376 70.243 68.868 -0.002 0.000 1.137 6 T HN 2.048 nan 8.240 nan 0.000 0.511 7 V N 1.782 121.695 119.914 -0.002 0.000 2.405 7 V HA 0.272 4.391 4.120 -0.002 0.000 0.264 7 V C 0.946 177.037 176.094 -0.004 0.000 1.048 7 V CA 0.246 62.545 62.300 -0.002 0.000 0.966 7 V CB -0.102 31.720 31.823 -0.002 0.000 1.015 7 V HN 1.000 nan 8.190 nan 0.000 0.477 8 E N 3.855 124.053 120.200 -0.002 0.000 2.075 8 E HA 0.053 4.402 4.350 -0.002 0.000 0.190 8 E C 0.405 176.999 176.600 -0.009 0.000 0.969 8 E CA 0.425 56.823 56.400 -0.004 0.000 0.815 8 E CB 0.454 30.154 29.700 0.000 0.000 0.776 8 E HN 0.776 nan 8.360 nan 0.000 0.457 9 Q N -0.088 119.707 119.800 -0.008 0.000 2.416 9 Q HA 0.466 4.805 4.340 -0.002 0.000 0.281 9 Q C -1.859 174.127 176.000 -0.023 0.000 1.067 9 Q CA -0.356 55.436 55.803 -0.018 0.000 0.809 9 Q CB 1.897 30.628 28.738 -0.011 0.000 1.418 9 Q HN -0.000 nan 8.270 nan 0.000 0.411 10 I N 2.395 122.935 120.570 -0.049 0.000 2.478 10 I HA 0.416 4.585 4.170 -0.002 0.000 0.287 10 I C -0.708 175.325 176.117 -0.141 0.000 1.042 10 I CA -0.524 60.736 61.300 -0.066 0.000 1.067 10 I CB 2.112 40.079 38.000 -0.054 0.000 1.233 10 I HN 0.570 nan 8.210 nan 0.000 0.431 11 E N 4.185 124.261 120.200 -0.206 0.000 2.244 11 E HA 0.692 5.041 4.350 -0.002 0.000 0.266 11 E C -1.018 175.165 176.600 -0.695 0.000 0.914 11 E CA -0.722 55.380 56.400 -0.497 0.000 0.794 11 E CB 2.428 31.786 29.700 -0.571 0.000 1.210 11 E HN 0.608 nan 8.360 nan 0.000 0.414 12 S N 1.215 116.352 115.700 -0.939 0.000 2.541 12 S HA 0.633 5.102 4.470 -0.002 0.000 0.271 12 S C -1.446 172.755 174.600 -0.665 0.000 1.133 12 S CA -1.005 56.834 58.200 -0.601 0.000 0.876 12 S CB 1.209 64.283 63.200 -0.210 0.000 1.105 12 S HN 0.526 nan 8.310 nan 0.000 0.470 13 W N 1.320 122.646 121.300 0.043 0.000 3.138 13 W HA 0.485 5.144 4.660 -0.002 0.000 0.331 13 W C -1.158 175.390 176.519 0.047 0.000 1.166 13 W CA -1.045 56.329 57.345 0.048 0.000 1.212 13 W CB 1.675 31.167 29.460 0.053 0.000 1.399 13 W HN 0.573 nan 8.180 nan 0.000 0.514 14 I N 2.961 123.689 120.570 0.264 0.000 2.325 14 I HA 0.242 4.411 4.170 -0.002 0.000 0.291 14 I C -0.148 176.074 176.117 0.174 0.000 1.019 14 I CA -0.663 60.741 61.300 0.173 0.000 1.302 14 I CB 1.078 39.147 38.000 0.116 0.000 1.401 14 I HN -0.091 nan 8.210 nan 0.000 0.485 15 V N 5.556 125.556 119.914 0.142 0.000 2.417 15 V HA 0.310 4.429 4.120 -0.002 0.000 0.291 15 V C -0.563 175.574 176.094 0.073 0.000 1.024 15 V CA -0.753 61.617 62.300 0.116 0.000 0.861 15 V CB 1.865 33.744 31.823 0.094 0.000 0.985 15 V HN 0.562 nan 8.190 nan 0.000 0.436 16 D N 3.979 124.427 120.400 0.079 0.000 2.427 16 D HA 0.408 5.047 4.640 -0.002 0.000 0.226 16 D C -0.154 176.150 176.300 0.007 0.000 1.076 16 D CA 0.026 54.053 54.000 0.045 0.000 0.849 16 D CB 2.018 42.852 40.800 0.057 0.000 1.052 16 D HN 0.475 nan 8.370 nan 0.000 0.515 17 V N 0.428 120.277 119.914 -0.109 0.000 2.630 17 V HA 0.696 4.815 4.120 -0.002 0.000 0.305 17 V C -2.583 173.422 176.094 -0.148 0.000 1.046 17 V CA -2.341 59.772 62.300 -0.312 0.000 0.934 17 V CB 1.953 33.540 31.823 -0.393 0.000 1.003 17 V HN 0.196 nan 8.190 nan 0.000 0.451 18 P HA 0.243 nan 4.420 nan 0.000 0.276 18 P C 0.004 177.294 177.300 -0.017 0.000 1.230 18 P CA 0.325 63.416 63.100 -0.014 0.000 0.776 18 P CB 0.983 32.718 31.700 0.058 0.000 0.888 19 T N 0.881 115.439 114.554 0.007 0.000 2.881 19 T HA 0.539 4.888 4.350 -0.002 0.000 0.278 19 T C 1.116 175.835 174.700 0.032 0.000 0.982 19 T CA -0.926 61.185 62.100 0.017 0.000 0.989 19 T CB 0.447 69.328 68.868 0.020 0.000 1.058 19 T HN 0.411 nan 8.240 nan 0.000 0.529 33 Q N 1.231 121.027 119.800 -0.005 0.000 2.321 33 Q HA 0.688 5.027 4.340 -0.002 0.000 0.270 33 Q C -1.098 174.903 176.000 0.002 0.000 1.032 33 Q CA 0.128 55.930 55.803 -0.003 0.000 0.784 33 Q CB 1.788 30.519 28.738 -0.011 0.000 1.264 33 Q HN 0.737 nan 8.270 nan 0.000 0.448 34 S N 4.536 120.248 115.700 0.019 0.000 2.438 34 S HA 0.605 5.074 4.470 -0.002 0.000 0.293 34 S C -0.583 174.044 174.600 0.046 0.000 1.141 34 S CA -0.579 57.641 58.200 0.034 0.000 1.080 34 S CB 0.096 63.320 63.200 0.039 0.000 0.978 34 S HN 0.579 nan 8.310 nan 0.000 0.479 35 L N 2.791 124.046 121.223 0.053 0.000 2.346 35 L HA 0.655 4.993 4.340 -0.002 0.000 0.274 35 L C -0.694 176.236 176.870 0.100 0.000 1.007 35 L CA -1.121 53.760 54.840 0.068 0.000 0.818 35 L CB 1.491 43.580 42.059 0.048 0.000 1.284 35 L HN 0.255 nan 8.230 nan 0.000 0.424 36 V N 4.251 124.233 119.914 0.113 0.000 2.328 36 V HA 0.374 4.493 4.120 -0.002 0.000 0.278 36 V C 0.157 176.343 176.094 0.153 0.000 1.021 36 V CA -0.337 62.044 62.300 0.136 0.000 0.838 36 V CB 1.366 33.261 31.823 0.119 0.000 0.999 36 V HN 0.415 nan 8.190 nan 0.000 0.447 37 I N 5.375 126.080 120.570 0.224 0.000 2.437 37 I HA 0.546 4.715 4.170 -0.002 0.000 0.298 37 I C -0.032 176.305 176.117 0.366 0.000 0.984 37 I CA -0.429 61.031 61.300 0.266 0.000 1.214 37 I CB 1.787 39.941 38.000 0.258 0.000 1.365 37 I HN 0.374 nan 8.210 nan 0.000 0.469 38 V N 7.147 127.228 119.914 0.277 0.000 2.823 38 V HA 0.625 4.744 4.120 -0.002 0.000 0.312 38 V C -0.799 175.459 176.094 0.273 0.000 1.072 38 V CA -0.718 61.711 62.300 0.214 0.000 0.937 38 V CB 2.704 34.579 31.823 0.086 0.000 1.013 38 V HN 0.889 nan 8.190 nan 0.000 0.430 39 R N 5.282 125.934 120.500 0.252 0.000 2.502 39 R HA 0.583 4.922 4.340 -0.002 0.000 0.300 39 R C -2.089 174.273 176.300 0.103 0.000 0.984 39 R CA -0.617 55.624 56.100 0.235 0.000 0.882 39 R CB 1.732 32.285 30.300 0.422 0.000 1.180 39 R HN 0.828 nan 8.270 nan 0.000 0.444 40 L N 3.702 124.966 121.223 0.069 0.000 2.322 40 L HA 0.528 4.867 4.340 -0.002 0.000 0.281 40 L C -1.051 175.839 176.870 0.034 0.000 1.014 40 L CA -0.267 54.593 54.840 0.034 0.000 0.815 40 L CB 2.195 44.265 42.059 0.019 0.000 1.247 40 L HN 0.627 nan 8.230 nan 0.000 0.421 41 T N 4.485 119.055 114.554 0.026 0.000 2.779 41 T HA 0.510 4.859 4.350 -0.002 0.000 0.280 41 T C -0.162 174.546 174.700 0.013 0.000 0.987 41 T CA -0.523 61.592 62.100 0.024 0.000 0.966 41 T CB 1.161 70.047 68.868 0.030 0.000 0.933 41 T HN 0.570 nan 8.240 nan 0.000 0.442 42 R N 1.104 121.610 120.500 0.010 0.000 2.532 42 R HA 0.355 4.694 4.340 -0.002 0.000 0.272 42 R C 1.775 178.078 176.300 0.005 0.000 1.032 42 R CA -0.446 55.657 56.100 0.005 0.000 1.089 42 R CB 0.523 30.824 30.300 0.002 0.000 1.098 42 R HN 0.750 nan 8.270 nan 0.000 0.526 43 S N -0.004 115.698 115.700 0.003 0.000 2.442 43 S HA -0.155 4.314 4.470 -0.002 0.000 0.236 43 S C 0.964 175.565 174.600 0.003 0.000 1.007 43 S CA 1.380 59.581 58.200 0.002 0.000 0.965 43 S CB -0.255 62.946 63.200 0.001 0.000 0.773 43 S HN 0.775 nan 8.310 nan 0.000 0.504 44 D N 0.199 120.601 120.400 0.003 0.000 2.336 44 D HA 0.294 4.933 4.640 -0.002 0.000 0.228 44 D C 1.372 177.675 176.300 0.004 0.000 1.120 44 D CA 0.416 54.417 54.000 0.002 0.000 0.839 44 D CB -0.578 40.222 40.800 0.000 0.000 0.932 44 D HN 0.521 nan 8.370 nan 0.000 0.509 45 G N 0.361 109.165 108.800 0.007 0.000 2.234 45 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.260 45 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.260 45 G C 0.262 175.168 174.900 0.011 0.000 0.987 45 G CA 0.197 45.303 45.100 0.010 0.000 0.625 45 G HN 0.460 nan 8.290 nan 0.000 0.532 46 I N 1.313 121.887 120.570 0.008 0.000 2.529 46 I HA 0.351 4.520 4.170 -0.002 0.000 0.284 46 I C 0.793 176.917 176.117 0.011 0.000 1.082 46 I CA -0.552 60.752 61.300 0.007 0.000 1.406 46 I CB 0.901 38.901 38.000 0.000 0.000 1.405 46 I HN 0.151 nan 8.210 nan 0.000 0.548 47 C N 4.371 123.680 119.300 0.015 0.000 2.454 47 C HA 0.848 5.307 4.460 -0.002 0.000 0.336 47 C C 0.592 175.593 174.990 0.018 0.000 1.189 47 C CA -0.416 58.617 59.018 0.025 0.000 1.877 47 C CB 1.162 28.926 27.740 0.040 0.000 2.348 47 C HN 0.935 nan 8.230 nan 0.000 0.508 48 G N 1.139 109.954 108.800 0.025 0.000 2.571 48 G HA2 0.778 4.737 3.960 -0.002 0.000 0.304 48 G HA3 0.778 4.737 3.960 -0.002 0.000 0.304 48 G C -1.123 173.799 174.900 0.037 0.000 1.314 48 G CA -0.492 44.617 45.100 0.015 0.000 0.975 48 G HN 0.937 nan 8.290 nan 0.000 0.485 49 I N -0.625 119.963 120.570 0.030 0.000 2.740 49 I HA 0.998 5.167 4.170 -0.002 0.000 0.303 49 I C 0.166 176.304 176.117 0.036 0.000 1.044 49 I CA -1.196 60.136 61.300 0.054 0.000 1.064 49 I CB 2.561 40.591 38.000 0.049 0.000 1.249 49 I HN 0.720 nan 8.210 nan 0.000 0.433 50 G N 2.437 111.272 108.800 0.057 0.000 2.695 50 G HA2 0.586 4.545 3.960 -0.002 0.000 0.290 50 G HA3 0.586 4.545 3.960 -0.002 0.000 0.290 50 G C -2.149 172.783 174.900 0.054 0.000 1.410 50 G CA -0.550 44.572 45.100 0.035 0.000 0.844 50 G HN 0.867 nan 8.290 nan 0.000 0.478 51 E N -0.745 119.475 120.200 0.032 0.000 2.308 51 E HA 0.607 4.956 4.350 -0.002 0.000 0.275 51 E C -1.201 175.424 176.600 0.042 0.000 0.890 51 E CA -1.037 55.391 56.400 0.047 0.000 0.754 51 E CB 2.076 31.794 29.700 0.029 0.000 1.207 51 E HN 0.800 nan 8.360 nan 0.000 0.426 52 A N 3.342 126.213 122.820 0.085 0.000 2.410 52 A HA 0.584 4.903 4.320 -0.002 0.000 0.289 52 A C -0.858 176.834 177.584 0.180 0.000 1.200 52 A CA -0.423 51.694 52.037 0.133 0.000 0.751 52 A CB 1.515 20.620 19.000 0.174 0.000 1.161 52 A HN 0.459 nan 8.150 nan 0.000 0.459 53 T N 1.016 115.683 114.554 0.189 0.000 2.907 53 T HA 0.790 5.139 4.350 -0.002 0.000 0.292 53 T C -0.015 174.861 174.700 0.293 0.000 1.043 53 T CA -0.299 61.908 62.100 0.179 0.000 1.003 53 T CB 1.940 70.860 68.868 0.086 0.000 1.084 53 T HN 0.740 nan 8.240 nan 0.000 0.483 54 T N 0.617 115.291 114.554 0.201 0.000 2.626 54 T HA 0.813 5.162 4.350 -0.002 0.000 0.279 54 T C -1.586 173.155 174.700 0.068 0.000 0.983 54 T CA -0.636 61.584 62.100 0.200 0.000 1.059 54 T CB 0.768 69.667 68.868 0.052 0.000 1.396 54 T HN 0.484 nan 8.240 nan 0.000 0.519 55 I N 0.582 121.171 120.570 0.032 0.000 2.582 55 I HA 0.549 4.718 4.170 -0.002 0.000 0.292 55 I C 0.967 177.136 176.117 0.086 0.000 1.066 55 I CA -0.619 60.651 61.300 -0.049 0.000 1.053 55 I CB 1.992 39.804 38.000 -0.313 0.000 1.241 55 I HN 0.956 nan 8.210 nan 0.000 0.421 56 G N 3.920 112.777 108.800 0.094 0.000 2.305 56 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.287 56 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.287 56 G C 0.880 175.851 174.900 0.119 0.000 1.036 56 G CA 0.714 45.919 45.100 0.174 0.000 0.887 56 G HN 1.615 nan 8.290 nan 0.000 0.505 57 G N -0.665 108.172 108.800 0.062 0.000 2.846 57 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.317 57 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.317 57 G C 0.892 175.793 174.900 0.003 0.000 1.210 57 G CA 0.804 45.919 45.100 0.023 0.000 0.972 57 G HN 1.356 nan 8.290 nan 0.000 0.567 58 L N 1.385 122.606 121.223 -0.004 0.000 3.014 58 L HA 0.318 4.657 4.340 -0.002 0.000 0.263 58 L C 2.103 178.949 176.870 -0.039 0.000 1.207 58 L CA 0.631 55.452 54.840 -0.032 0.000 1.017 58 L CB 0.910 42.944 42.059 -0.042 0.000 1.360 58 L HN 0.384 nan 8.230 nan 0.000 0.560 59 S N -0.810 114.879 115.700 -0.019 0.000 2.470 59 S HA 0.020 4.489 4.470 -0.002 0.000 0.225 59 S C 1.185 175.589 174.600 -0.326 0.000 1.006 59 S CA 0.806 58.917 58.200 -0.148 0.000 0.934 59 S CB 0.059 63.174 63.200 -0.142 0.000 0.778 59 S HN 0.430 nan 8.310 nan 0.000 0.517 60 Y N 0.591 120.868 120.300 -0.039 0.000 2.453 60 Y HA 0.472 5.021 4.550 -0.001 0.000 0.247 60 Y C 1.122 177.001 175.900 -0.035 0.000 1.124 60 Y CA -0.238 57.844 58.100 -0.030 0.000 1.243 60 Y CB 0.982 39.438 38.460 -0.007 0.000 1.213 60 Y HN 0.247 nan 8.280 nan 0.000 0.523 61 G N -0.807 108.014 108.800 0.036 0.000 2.660 61 G HA2 0.379 4.338 3.960 -0.002 0.000 0.290 61 G HA3 0.379 4.338 3.960 -0.002 0.000 0.290 61 G C -0.113 174.724 174.900 -0.105 0.000 1.432 61 G CA -0.131 44.942 45.100 -0.044 0.000 0.807 61 G HN -0.015 nan 8.290 nan 0.000 0.485 62 V N -2.749 117.094 119.914 -0.119 0.000 3.541 62 V HA 0.349 4.468 4.120 -0.002 0.000 0.267 62 V C 0.417 176.419 176.094 -0.153 0.000 1.213 62 V CA 0.734 62.971 62.300 -0.105 0.000 1.149 62 V CB -0.594 31.190 31.823 -0.064 0.000 0.822 62 V HN 0.509 nan 8.190 nan 0.000 0.462 63 E N 2.193 122.224 120.200 -0.281 0.000 2.133 63 E HA 0.519 4.868 4.350 -0.002 0.000 0.274 63 E C -0.162 176.248 176.600 -0.317 0.000 0.930 63 E CA -0.063 56.143 56.400 -0.324 0.000 0.770 63 E CB 1.662 31.067 29.700 -0.491 0.000 1.104 63 E HN 0.658 nan 8.360 nan 0.000 0.403 64 S N 2.159 117.758 115.700 -0.169 0.000 2.687 64 S HA 0.350 4.819 4.470 -0.002 0.000 0.283 64 S C -2.025 172.534 174.600 -0.068 0.000 1.170 64 S CA -1.443 56.693 58.200 -0.106 0.000 1.008 64 S CB 1.723 64.888 63.200 -0.058 0.000 1.026 64 S HN 0.132 nan 8.310 nan 0.000 0.541 65 P HA -0.160 nan 4.420 nan 0.000 0.216 65 P C 1.431 178.744 177.300 0.022 0.000 1.153 65 P CA 1.313 64.422 63.100 0.015 0.000 0.858 65 P CB -0.002 31.717 31.700 0.031 0.000 0.789 66 E N -0.153 120.054 120.200 0.011 0.000 2.106 66 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 66 E C 1.976 178.583 176.600 0.011 0.000 0.984 66 E CA 1.531 57.941 56.400 0.016 0.000 0.806 66 E CB -1.335 28.370 29.700 0.009 0.000 0.750 66 E HN 0.181 nan 8.360 nan 0.000 0.458 67 A N 1.544 124.359 122.820 -0.007 0.000 1.968 67 A HA 0.017 4.336 4.320 -0.002 0.000 0.217 67 A C 2.367 179.960 177.584 0.015 0.000 1.169 67 A CA 0.698 52.730 52.037 -0.008 0.000 0.638 67 A CB -0.581 18.398 19.000 -0.036 0.000 0.812 67 A HN 0.173 nan 8.150 nan 0.000 0.446 68 I N -0.808 119.770 120.570 0.013 0.000 2.252 68 I HA -0.203 3.966 4.170 -0.002 0.000 0.245 68 I C 2.825 178.983 176.117 0.069 0.000 1.102 68 I CA 1.446 62.775 61.300 0.048 0.000 1.385 68 I CB -0.190 37.849 38.000 0.065 0.000 1.064 68 I HN 0.399 nan 8.210 nan 0.000 0.414 69 S N 0.524 116.261 115.700 0.061 0.000 2.356 69 S HA -0.194 4.275 4.470 -0.002 0.000 0.223 69 S C 2.302 176.954 174.600 0.086 0.000 1.032 69 S CA 1.982 60.219 58.200 0.062 0.000 1.005 69 S CB -0.319 62.914 63.200 0.054 0.000 0.867 69 S HN 0.602 nan 8.310 nan 0.000 0.449 70 S N 1.642 117.398 115.700 0.093 0.000 2.382 70 S HA 0.062 4.531 4.470 -0.002 0.000 0.228 70 S C 2.107 176.838 174.600 0.219 0.000 1.027 70 S CA 1.088 59.373 58.200 0.142 0.000 0.991 70 S CB -0.938 62.265 63.200 0.005 0.000 0.823 70 S HN 0.663 nan 8.310 nan 0.000 0.469 71 A N 2.160 125.091 122.820 0.186 0.000 1.908 71 A HA 0.042 4.361 4.320 -0.002 0.000 0.218 71 A C 2.230 179.946 177.584 0.220 0.000 1.181 71 A CA 1.559 53.744 52.037 0.246 0.000 0.627 71 A CB -0.851 18.225 19.000 0.128 0.000 0.818 71 A HN 0.587 nan 8.150 nan 0.000 0.445 72 I N -0.771 119.879 120.570 0.133 0.000 2.113 72 I HA -0.221 3.948 4.170 -0.002 0.000 0.238 72 I C 2.686 178.830 176.117 0.045 0.000 1.070 72 I CA 1.833 63.179 61.300 0.077 0.000 1.332 72 I CB -0.842 37.181 38.000 0.039 0.000 1.044 72 I HN 0.264 nan 8.210 nan 0.000 0.402 73 T N -0.642 113.937 114.554 0.041 0.000 2.643 73 T HA -0.223 4.126 4.350 -0.002 0.000 0.264 73 T C 1.811 176.432 174.700 -0.132 0.000 1.045 73 T CA 1.796 63.867 62.100 -0.048 0.000 1.155 73 T CB -0.427 68.422 68.868 -0.031 0.000 0.863 73 T HN 0.374 nan 8.240 nan 0.000 0.420 74 H N -1.081 117.899 119.070 -0.149 0.000 2.512 74 H HA 0.204 4.759 4.556 -0.002 0.000 0.279 74 H C 1.190 176.161 175.328 -0.596 0.000 0.999 74 H CA 0.759 56.576 56.048 -0.384 0.000 1.283 74 H CB 0.089 29.534 29.762 -0.529 0.000 1.421 74 H HN 0.428 nan 8.280 nan 0.000 0.554 75 Y N -1.373 118.985 120.300 0.097 0.000 2.769 75 Y HA 0.173 4.722 4.550 -0.002 0.000 0.266 75 Y C 1.985 177.900 175.900 0.025 0.000 1.091 75 Y CA -0.092 58.039 58.100 0.053 0.000 1.272 75 Y CB -0.108 38.382 38.460 0.049 0.000 1.469 75 Y HN -0.070 nan 8.280 nan 0.000 0.475 76 L N -0.444 120.886 121.223 0.177 0.000 2.056 76 L HA -0.173 4.166 4.340 -0.002 0.000 0.207 76 L C 2.150 179.045 176.870 0.042 0.000 1.078 76 L CA 1.754 56.651 54.840 0.096 0.000 0.749 76 L CB -0.773 41.334 42.059 0.080 0.000 0.901 76 L HN 0.256 nan 8.230 nan 0.000 0.433 77 T N 0.474 115.034 114.554 0.010 0.000 2.652 77 T HA -0.108 4.241 4.350 -0.002 0.000 0.267 77 T C -0.501 174.182 174.700 -0.028 0.000 1.039 77 T CA 1.821 63.905 62.100 -0.027 0.000 1.153 77 T CB -1.171 67.656 68.868 -0.067 0.000 0.863 77 T HN 0.309 nan 8.240 nan 0.000 0.428 78 P HA 0.030 nan 4.420 nan 0.000 0.221 78 P C 1.701 178.999 177.300 -0.004 0.000 1.150 78 P CA 0.725 63.805 63.100 -0.033 0.000 0.800 78 P CB -0.111 31.556 31.700 -0.056 0.000 0.787 79 L N -0.586 120.649 121.223 0.019 0.000 2.109 79 L HA -0.036 4.303 4.340 -0.002 0.000 0.207 79 L C 2.339 179.221 176.870 0.020 0.000 1.086 79 L CA 1.699 56.559 54.840 0.032 0.000 0.760 79 L CB -1.069 41.025 42.059 0.058 0.000 0.910 79 L HN -0.180 nan 8.230 nan 0.000 0.437 80 L N -1.189 120.043 121.223 0.014 0.000 2.354 80 L HA 0.063 4.402 4.340 -0.002 0.000 0.212 80 L C 0.940 177.810 176.870 0.000 0.000 1.091 80 L CA -0.079 54.766 54.840 0.009 0.000 0.828 80 L CB -0.332 41.733 42.059 0.010 0.000 0.973 80 L HN 0.009 nan 8.230 nan 0.000 0.461 81 K N 1.095 121.491 120.400 -0.007 0.000 2.472 81 K HA 0.139 4.458 4.320 -0.002 0.000 0.280 81 K C 1.006 177.602 176.600 -0.007 0.000 1.028 81 K CA 0.870 57.150 56.287 -0.011 0.000 1.045 81 K CB 0.353 32.841 32.500 -0.020 0.000 0.902 81 K HN 0.305 nan 8.250 nan 0.000 0.478 82 G N 1.988 110.785 108.800 -0.006 0.000 2.234 82 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.235 82 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.235 82 G C -0.042 174.857 174.900 -0.002 0.000 0.997 82 G CA -0.413 44.684 45.100 -0.004 0.000 0.623 82 G HN 0.514 nan 8.290 nan 0.000 0.514 83 Q N 1.027 120.827 119.800 -0.000 0.000 2.299 83 Q HA 0.400 4.739 4.340 -0.002 0.000 0.246 83 Q C -2.447 173.553 176.000 0.000 0.000 0.935 83 Q CA -1.759 54.045 55.803 0.001 0.000 0.887 83 Q CB 0.647 29.388 28.738 0.004 0.000 1.223 83 Q HN 0.203 nan 8.270 nan 0.000 0.439 84 P HA -0.024 nan 4.420 nan 0.000 0.263 84 P C -0.341 176.959 177.300 -0.001 0.000 1.195 84 P CA 0.407 63.507 63.100 -0.000 0.000 0.762 84 P CB 0.555 32.255 31.700 -0.000 0.000 0.799 85 A N 3.386 126.204 122.820 -0.002 0.000 2.208 85 A HA -0.041 4.278 4.320 -0.002 0.000 0.209 85 A C 1.316 178.897 177.584 -0.006 0.000 1.161 85 A CA 0.999 53.034 52.037 -0.003 0.000 0.782 85 A CB -0.351 18.647 19.000 -0.003 0.000 0.816 85 A HN 0.422 nan 8.150 nan 0.000 0.477 86 D N -0.413 119.983 120.400 -0.006 0.000 2.349 86 D HA -0.002 4.637 4.640 -0.002 0.000 0.214 86 D C -0.090 176.205 176.300 -0.007 0.000 1.063 86 D CA 0.108 54.104 54.000 -0.008 0.000 0.847 86 D CB 0.094 40.890 40.800 -0.008 0.000 0.933 86 D HN 0.245 nan 8.370 nan 0.000 0.513 87 N N 1.929 120.626 118.700 -0.005 0.000 2.801 87 N HA 0.022 4.761 4.740 -0.002 0.000 0.235 87 N C 0.955 176.463 175.510 -0.003 0.000 1.069 87 N CA -0.247 52.801 53.050 -0.004 0.000 0.946 87 N CB 0.904 39.390 38.487 -0.001 0.000 1.212 87 N HN -0.024 nan 8.380 nan 0.000 0.509 88 L N 3.747 124.966 121.223 -0.006 0.000 2.083 88 L HA -0.049 4.290 4.340 -0.002 0.000 0.209 88 L C 1.524 178.393 176.870 -0.002 0.000 1.083 88 L CA 1.625 56.462 54.840 -0.006 0.000 0.752 88 L CB -0.404 41.649 42.059 -0.011 0.000 0.899 88 L HN 0.427 nan 8.230 nan 0.000 0.433 89 N N -0.028 118.671 118.700 -0.001 0.000 2.120 89 N HA -0.116 4.622 4.740 -0.002 0.000 0.188 89 N C 1.814 177.328 175.510 0.005 0.000 1.024 89 N CA 1.540 54.592 53.050 0.002 0.000 0.852 89 N CB -0.385 38.103 38.487 0.001 0.000 1.003 89 N HN 0.507 nan 8.380 nan 0.000 0.424 90 A N 1.104 123.927 122.820 0.005 0.000 1.898 90 A HA -0.000 4.318 4.320 -0.002 0.000 0.216 90 A C 2.396 179.985 177.584 0.009 0.000 1.181 90 A CA 0.785 52.826 52.037 0.007 0.000 0.620 90 A CB -0.664 18.339 19.000 0.005 0.000 0.819 90 A HN 0.188 nan 8.150 nan 0.000 0.442 91 L N -0.724 120.504 121.223 0.007 0.000 2.093 91 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 91 L C 2.744 179.622 176.870 0.013 0.000 1.085 91 L CA 1.700 56.546 54.840 0.009 0.000 0.755 91 L CB -0.785 41.277 42.059 0.006 0.000 0.904 91 L HN 0.329 nan 8.230 nan 0.000 0.435 92 T N -0.211 114.350 114.554 0.012 0.000 2.777 92 T HA -0.126 4.223 4.350 -0.002 0.000 0.266 92 T C 2.002 176.716 174.700 0.022 0.000 1.040 92 T CA 1.238 63.347 62.100 0.016 0.000 1.141 92 T CB -0.181 68.694 68.868 0.012 0.000 0.868 92 T HN 0.432 nan 8.240 nan 0.000 0.444 93 A N 1.552 124.384 122.820 0.020 0.000 1.930 93 A HA -0.055 4.264 4.320 -0.002 0.000 0.217 93 A C 2.291 179.889 177.584 0.023 0.000 1.175 93 A CA 1.541 53.592 52.037 0.023 0.000 0.627 93 A CB -0.518 18.493 19.000 0.019 0.000 0.815 93 A HN 0.401 nan 8.150 nan 0.000 0.443 94 R N -0.852 119.660 120.500 0.020 0.000 2.075 94 R HA -0.066 4.273 4.340 -0.002 0.000 0.232 94 R C 2.124 178.440 176.300 0.026 0.000 1.126 94 R CA 1.737 57.850 56.100 0.021 0.000 0.963 94 R CB -0.303 30.009 30.300 0.019 0.000 0.858 94 R HN 0.552 nan 8.270 nan 0.000 0.435 95 M N 0.499 120.115 119.600 0.027 0.000 2.086 95 M HA -0.146 4.333 4.480 -0.002 0.000 0.261 95 M C 1.685 178.003 176.300 0.030 0.000 1.067 95 M CA 1.524 56.843 55.300 0.031 0.000 1.116 95 M CB -0.262 32.356 32.600 0.031 0.000 1.348 95 M HN 0.132 nan 8.290 nan 0.000 0.407 96 N N 0.228 118.947 118.700 0.032 0.000 2.331 96 N HA -0.032 4.707 4.740 -0.002 0.000 0.180 96 N C 1.763 177.289 175.510 0.027 0.000 1.019 96 N CA 1.355 54.427 53.050 0.036 0.000 0.881 96 N CB -0.467 38.052 38.487 0.053 0.000 0.972 96 N HN 0.437 nan 8.380 nan 0.000 0.435 97 G N 0.182 108.997 108.800 0.024 0.000 2.421 97 G HA2 -0.033 3.926 3.960 -0.002 0.000 0.217 97 G HA3 -0.033 3.926 3.960 -0.002 0.000 0.217 97 G C 1.449 176.356 174.900 0.012 0.000 1.143 97 G CA 0.873 45.983 45.100 0.018 0.000 0.784 97 G HN 0.414 nan 8.290 nan 0.000 0.541 98 A N -0.505 122.325 122.820 0.016 0.000 2.063 98 A HA 0.484 4.803 4.320 -0.002 0.000 0.211 98 A C 0.536 178.119 177.584 -0.003 0.000 1.177 98 A CA 0.296 52.343 52.037 0.016 0.000 0.759 98 A CB 0.340 19.361 19.000 0.035 0.000 0.857 98 A HN 0.186 nan 8.150 nan 0.000 0.468 99 I N 1.379 121.946 120.570 -0.005 0.000 2.382 99 I HA 0.337 4.506 4.170 -0.002 0.000 0.286 99 I C -0.826 175.275 176.117 -0.027 0.000 1.002 99 I CA -0.856 60.424 61.300 -0.033 0.000 1.135 99 I CB 1.332 39.325 38.000 -0.010 0.000 1.288 99 I HN 0.002 nan 8.210 nan 0.000 0.448 100 K N 3.739 124.109 120.400 -0.051 0.000 2.174 100 K HA 0.544 4.863 4.320 -0.002 0.000 0.275 100 K C 0.880 177.466 176.600 -0.024 0.000 1.015 100 K CA 0.126 56.393 56.287 -0.034 0.000 0.933 100 K CB 1.256 33.727 32.500 -0.048 0.000 1.025 100 K HN 0.865 nan 8.250 nan 0.000 0.463 101 G N 3.019 111.821 108.800 0.004 0.000 2.614 101 G HA2 -0.399 3.560 3.960 -0.002 0.000 0.303 101 G HA3 -0.399 3.560 3.960 -0.002 0.000 0.303 101 G C -0.169 174.755 174.900 0.040 0.000 1.270 101 G CA 0.346 45.462 45.100 0.025 0.000 0.988 101 G HN 0.851 nan 8.290 nan 0.000 0.551 102 N N -0.014 118.715 118.700 0.048 0.000 2.705 102 N HA -0.241 4.498 4.740 -0.002 0.000 0.255 102 N C 1.526 177.113 175.510 0.127 0.000 1.008 102 N CA 1.794 54.888 53.050 0.073 0.000 0.742 102 N CB -1.263 37.243 38.487 0.031 0.000 0.906 102 N HN 1.430 nan 8.380 nan 0.000 0.541 103 T N -3.615 111.047 114.554 0.179 0.000 2.867 103 T HA -0.069 4.279 4.350 -0.002 0.000 0.268 103 T C 1.583 176.385 174.700 0.171 0.000 1.057 103 T CA 0.781 62.974 62.100 0.155 0.000 1.136 103 T CB -0.351 68.596 68.868 0.131 0.000 0.874 103 T HN 0.335 nan 8.240 nan 0.000 0.466 104 F N 2.180 122.141 119.950 0.019 0.000 2.102 104 F HA 0.069 4.595 4.527 -0.002 0.000 0.298 104 F C 3.076 178.889 175.800 0.021 0.000 1.105 104 F CA 0.908 58.920 58.000 0.019 0.000 1.239 104 F CB -0.573 38.440 39.000 0.021 0.000 0.991 104 F HN 0.240 nan 8.300 nan 0.000 0.474 105 A N 0.165 123.123 122.820 0.230 0.000 1.877 105 A HA -0.214 4.104 4.320 -0.002 0.000 0.216 105 A C 2.107 179.745 177.584 0.090 0.000 1.186 105 A CA 1.736 53.855 52.037 0.136 0.000 0.620 105 A CB -0.634 18.433 19.000 0.112 0.000 0.822 105 A HN 0.321 nan 8.150 nan 0.000 0.443 106 K N -0.354 120.095 120.400 0.082 0.000 2.097 106 K HA -0.116 4.203 4.320 -0.002 0.000 0.206 106 K C 2.400 179.015 176.600 0.025 0.000 1.049 106 K CA 1.330 57.647 56.287 0.050 0.000 0.933 106 K CB -0.207 32.321 32.500 0.047 0.000 0.717 106 K HN 0.463 nan 8.250 nan 0.000 0.442 107 S N 0.660 116.368 115.700 0.012 0.000 2.368 107 S HA -0.136 4.333 4.470 -0.002 0.000 0.225 107 S C 2.067 176.655 174.600 -0.020 0.000 1.030 107 S CA 1.179 59.360 58.200 -0.031 0.000 0.999 107 S CB -0.158 62.985 63.200 -0.095 0.000 0.844 107 S HN 0.370 nan 8.310 nan 0.000 0.459 108 A N 1.953 124.781 122.820 0.013 0.000 1.877 108 A HA 0.008 4.327 4.320 -0.002 0.000 0.216 108 A C 2.111 179.706 177.584 0.019 0.000 1.186 108 A CA 1.478 53.529 52.037 0.024 0.000 0.620 108 A CB -0.685 18.350 19.000 0.058 0.000 0.822 108 A HN 0.561 nan 8.150 nan 0.000 0.443 109 I N -0.117 120.467 120.570 0.023 0.000 2.142 109 I HA -0.216 3.953 4.170 -0.002 0.000 0.240 109 I C 2.452 178.570 176.117 0.003 0.000 1.078 109 I CA 1.878 63.188 61.300 0.017 0.000 1.343 109 I CB -1.478 36.535 38.000 0.022 0.000 1.046 109 I HN 0.563 nan 8.210 nan 0.000 0.405 110 E N 0.505 120.703 120.200 -0.004 0.000 2.118 110 E HA -0.215 4.134 4.350 -0.002 0.000 0.195 110 E C 2.047 178.628 176.600 -0.032 0.000 0.992 110 E CA 1.964 58.354 56.400 -0.017 0.000 0.804 110 E CB 0.141 29.828 29.700 -0.021 0.000 0.741 110 E HN 0.410 nan 8.360 nan 0.000 0.458 111 T N 0.380 114.913 114.554 -0.035 0.000 2.746 111 T HA -0.137 4.212 4.350 -0.002 0.000 0.267 111 T C 1.828 176.506 174.700 -0.037 0.000 1.039 111 T CA 1.299 63.370 62.100 -0.049 0.000 1.142 111 T CB -0.283 68.557 68.868 -0.047 0.000 0.866 111 T HN 0.337 nan 8.240 nan 0.000 0.444 112 A N 1.192 124.003 122.820 -0.014 0.000 1.902 112 A HA 0.013 4.332 4.320 -0.002 0.000 0.217 112 A C 2.310 179.886 177.584 -0.013 0.000 1.181 112 A CA 1.183 53.218 52.037 -0.003 0.000 0.623 112 A CB -0.872 18.139 19.000 0.019 0.000 0.818 112 A HN 0.470 nan 8.150 nan 0.000 0.443 113 L N -0.776 120.438 121.223 -0.015 0.000 2.042 113 L HA -0.204 4.135 4.340 -0.002 0.000 0.210 113 L C 2.579 179.429 176.870 -0.033 0.000 1.076 113 L CA 1.202 56.031 54.840 -0.019 0.000 0.749 113 L CB -0.514 41.535 42.059 -0.015 0.000 0.893 113 L HN 0.382 nan 8.230 nan 0.000 0.432 114 L N -0.674 120.520 121.223 -0.048 0.000 2.072 114 L HA -0.209 4.130 4.340 -0.002 0.000 0.205 114 L C 2.285 179.102 176.870 -0.087 0.000 1.079 114 L CA 1.102 55.900 54.840 -0.071 0.000 0.752 114 L CB -0.510 41.493 42.059 -0.092 0.000 0.906 114 L HN 0.272 nan 8.230 nan 0.000 0.436 115 D N 0.255 120.607 120.400 -0.081 0.000 2.104 115 D HA -0.201 4.438 4.640 -0.002 0.000 0.194 115 D C 2.152 178.419 176.300 -0.055 0.000 0.994 115 D CA 1.603 55.554 54.000 -0.081 0.000 0.830 115 D CB 0.119 40.887 40.800 -0.054 0.000 0.959 115 D HN 0.232 nan 8.370 nan 0.000 0.452 116 A N 0.129 122.928 122.820 -0.035 0.000 1.877 116 A HA -0.226 4.093 4.320 -0.002 0.000 0.216 116 A C 2.235 179.802 177.584 -0.028 0.000 1.186 116 A CA 2.033 54.057 52.037 -0.023 0.000 0.620 116 A CB -0.948 18.045 19.000 -0.011 0.000 0.822 116 A HN 0.444 nan 8.150 nan 0.000 0.443 117 Q N -0.626 119.154 119.800 -0.034 0.000 2.124 117 Q HA -0.087 4.252 4.340 -0.002 0.000 0.202 117 Q C 1.984 177.960 176.000 -0.040 0.000 0.977 117 Q CA 1.594 57.377 55.803 -0.033 0.000 0.850 117 Q CB -0.528 28.190 28.738 -0.034 0.000 0.901 117 Q HN 0.574 nan 8.270 nan 0.000 0.429 118 G N 0.840 109.606 108.800 -0.058 0.000 2.418 118 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.217 118 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.217 118 G C 1.270 176.142 174.900 -0.047 0.000 1.158 118 G CA 0.821 45.881 45.100 -0.066 0.000 0.771 118 G HN 0.299 nan 8.290 nan 0.000 0.545 119 K N 0.592 120.967 120.400 -0.040 0.000 2.097 119 K HA 0.084 4.403 4.320 -0.002 0.000 0.205 119 K C 2.867 179.455 176.600 -0.020 0.000 1.050 119 K CA 0.916 57.187 56.287 -0.027 0.000 0.938 119 K CB -0.190 32.297 32.500 -0.021 0.000 0.718 119 K HN 0.261 nan 8.250 nan 0.000 0.442 120 A N 0.912 123.720 122.820 -0.020 0.000 2.070 120 A HA -0.072 4.247 4.320 -0.002 0.000 0.220 120 A C 1.802 179.377 177.584 -0.015 0.000 1.159 120 A CA 1.181 53.209 52.037 -0.015 0.000 0.656 120 A CB -0.262 18.729 19.000 -0.014 0.000 0.800 120 A HN 0.188 nan 8.150 nan 0.000 0.453 121 L N -1.787 119.425 121.223 -0.019 0.000 2.766 121 L HA 0.288 4.627 4.340 -0.002 0.000 0.242 121 L C 1.401 178.261 176.870 -0.016 0.000 1.136 121 L CA 0.350 55.180 54.840 -0.017 0.000 0.933 121 L CB 0.146 42.193 42.059 -0.020 0.000 1.241 121 L HN 0.479 nan 8.230 nan 0.000 0.522 122 G N 1.496 110.286 108.800 -0.018 0.000 2.249 122 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.273 122 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.273 122 G C -0.181 174.709 174.900 -0.017 0.000 1.036 122 G CA 0.261 45.352 45.100 -0.016 0.000 0.824 122 G HN 0.255 nan 8.290 nan 0.000 0.504 123 L N 0.327 121.535 121.223 -0.026 0.000 2.370 123 L HA 0.578 4.917 4.340 -0.002 0.000 0.266 123 L C -1.993 174.849 176.870 -0.047 0.000 1.002 123 L CA -2.630 52.194 54.840 -0.027 0.000 0.818 123 L CB 2.811 44.854 42.059 -0.026 0.000 1.325 123 L HN -0.091 nan 8.230 nan 0.000 0.418 124 P HA 0.070 nan 4.420 nan 0.000 0.274 124 P C 0.856 178.057 177.300 -0.165 0.000 1.231 124 P CA -0.341 62.717 63.100 -0.069 0.000 0.790 124 P CB 1.510 33.252 31.700 0.069 0.000 0.951 125 V N 1.929 121.574 119.914 -0.448 0.000 2.324 125 V HA -0.293 3.826 4.120 -0.002 0.000 0.250 125 V C 2.774 178.772 176.094 -0.160 0.000 1.060 125 V CA 3.005 65.065 62.300 -0.401 0.000 1.042 125 V CB -1.784 29.643 31.823 -0.659 0.000 0.650 125 V HN 0.752 nan 8.190 nan 0.000 0.450 126 S N 1.191 116.912 115.700 0.035 0.000 2.387 126 S HA -0.243 4.226 4.470 -0.002 0.000 0.230 126 S C 2.071 176.698 174.600 0.045 0.000 1.035 126 S CA 1.560 59.840 58.200 0.133 0.000 1.014 126 S CB -0.663 62.671 63.200 0.223 0.000 0.836 126 S HN 0.644 nan 8.310 nan 0.000 0.466 127 A N 1.887 124.720 122.820 0.021 0.000 1.930 127 A HA 0.228 4.547 4.320 -0.002 0.000 0.217 127 A C 2.312 179.891 177.584 -0.008 0.000 1.175 127 A CA 1.204 53.245 52.037 0.006 0.000 0.627 127 A CB -0.761 18.239 19.000 -0.000 0.000 0.815 127 A HN 0.548 nan 8.150 nan 0.000 0.443 128 L N -0.656 120.549 121.223 -0.029 0.000 2.201 128 L HA -0.067 4.272 4.340 -0.002 0.000 0.212 128 L C 1.581 178.438 176.870 -0.020 0.000 1.105 128 L CA 0.664 55.484 54.840 -0.033 0.000 0.775 128 L CB -0.376 41.649 42.059 -0.056 0.000 0.913 128 L HN 0.341 nan 8.230 nan 0.000 0.440 129 L N -0.372 120.843 121.223 -0.013 0.000 2.645 129 L HA 0.194 4.533 4.340 -0.002 0.000 0.234 129 L C 1.325 178.203 176.870 0.014 0.000 1.165 129 L CA 0.498 55.339 54.840 0.002 0.000 0.944 129 L CB -0.275 41.789 42.059 0.008 0.000 1.149 129 L HN 0.460 nan 8.230 nan 0.000 0.446 130 G N -0.542 108.264 108.800 0.011 0.000 2.195 130 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.224 130 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.224 130 G C 0.509 175.419 174.900 0.017 0.000 0.990 130 G CA -0.274 44.834 45.100 0.014 0.000 0.639 130 G HN 0.835 nan 8.290 nan 0.000 0.514 131 G N -1.032 107.782 108.800 0.022 0.000 2.742 131 G HA2 0.540 4.499 3.960 -0.002 0.000 0.686 131 G HA3 0.540 4.499 3.960 -0.002 0.000 0.686 131 G C -0.081 174.838 174.900 0.032 0.000 1.220 131 G CA 0.789 45.904 45.100 0.024 0.000 0.783 131 G HN 2.119 nan 8.290 nan 0.000 0.646 132 A N 1.224 124.064 122.820 0.032 0.000 2.366 132 A HA 0.695 5.014 4.320 -0.002 0.000 0.272 132 A C 1.305 178.902 177.584 0.022 0.000 1.135 132 A CA -0.176 51.880 52.037 0.031 0.000 0.804 132 A CB 0.722 19.736 19.000 0.024 0.000 1.064 132 A HN 1.316 nan 8.150 nan 0.000 0.499 133 L N 0.655 121.893 121.223 0.026 0.000 2.313 133 L HA 0.056 4.395 4.340 -0.002 0.000 0.214 133 L C 1.275 178.152 176.870 0.010 0.000 1.119 133 L CA 1.641 56.493 54.840 0.019 0.000 0.809 133 L CB -0.818 41.255 42.059 0.023 0.000 0.933 133 L HN 0.897 nan 8.230 nan 0.000 0.449 134 Q N -3.158 116.648 119.800 0.009 0.000 2.472 134 Q HA 0.345 4.684 4.340 -0.002 0.000 0.281 134 Q C -0.351 175.643 176.000 -0.011 0.000 0.997 134 Q CA 0.002 55.805 55.803 -0.001 0.000 0.828 134 Q CB 0.932 29.671 28.738 0.000 0.000 1.443 134 Q HN 0.009 nan 8.270 nan 0.000 0.390 135 T N -2.531 112.009 114.554 -0.023 0.000 3.085 135 T HA 0.613 4.962 4.350 -0.002 0.000 0.264 135 T C 0.221 174.885 174.700 -0.060 0.000 1.019 135 T CA 0.313 62.386 62.100 -0.044 0.000 0.910 135 T CB 0.472 69.317 68.868 -0.038 0.000 1.059 135 T HN 0.711 nan 8.240 nan 0.000 0.542 136 A N 1.438 124.232 122.820 -0.043 0.000 2.353 136 A HA 0.753 5.072 4.320 -0.002 0.000 0.299 136 A C -1.192 176.378 177.584 -0.024 0.000 1.089 136 A CA -0.720 51.290 52.037 -0.045 0.000 0.736 136 A CB 0.937 19.917 19.000 -0.034 0.000 1.195 136 A HN 0.312 nan 8.150 nan 0.000 0.447 137 L N 3.854 125.065 121.223 -0.020 0.000 2.342 137 L HA 0.625 4.964 4.340 -0.002 0.000 0.271 137 L C -2.168 174.726 176.870 0.040 0.000 1.008 137 L CA -1.736 53.114 54.840 0.017 0.000 0.818 137 L CB 1.967 44.052 42.059 0.043 0.000 1.296 137 L HN 0.471 nan 8.230 nan 0.000 0.427 138 P HA 0.200 nan 4.420 nan 0.000 0.275 138 P C -1.205 176.162 177.300 0.111 0.000 1.227 138 P CA -0.212 62.928 63.100 0.067 0.000 0.781 138 P CB 1.296 33.024 31.700 0.046 0.000 0.906 139 V N 1.823 121.833 119.914 0.159 0.000 2.524 139 V HA 0.452 4.571 4.120 -0.002 0.000 0.297 139 V C -0.036 176.201 176.094 0.238 0.000 1.035 139 V CA -1.181 61.263 62.300 0.241 0.000 0.867 139 V CB 0.896 32.951 31.823 0.386 0.000 1.004 139 V HN 0.377 nan 8.190 nan 0.000 0.426 140 L N 1.808 123.183 121.223 0.253 0.000 2.490 140 L HA 0.726 5.065 4.340 -0.002 0.000 0.245 140 L C -0.097 176.965 176.870 0.320 0.000 1.185 140 L CA -0.690 54.268 54.840 0.197 0.000 0.813 140 L CB 0.512 42.680 42.059 0.181 0.000 1.233 140 L HN 0.953 nan 8.230 nan 0.000 0.489 141 W N 0.085 121.356 121.300 -0.047 0.000 2.736 141 W HA 0.527 5.186 4.660 -0.001 0.000 0.335 141 W C -1.311 175.171 176.519 -0.062 0.000 1.059 141 W CA -0.650 56.602 57.345 -0.155 0.000 1.226 141 W CB 2.222 31.674 29.460 -0.014 0.000 1.416 141 W HN 0.572 nan 8.180 nan 0.000 0.505 142 T N 5.966 119.818 114.554 -1.169 0.000 2.845 142 T HA 0.419 4.768 4.350 -0.002 0.000 0.288 142 T C -0.081 174.230 174.700 -0.649 0.000 0.980 142 T CA -0.327 61.368 62.100 -0.674 0.000 1.071 142 T CB 0.889 69.416 68.868 -0.569 0.000 0.941 142 T HN 0.229 nan 8.240 nan 0.000 0.487 143 L N 3.027 124.136 121.223 -0.191 0.000 2.283 143 L HA 0.624 4.963 4.340 -0.002 0.000 0.281 143 L C 0.449 177.298 176.870 -0.035 0.000 1.033 143 L CA -0.651 54.148 54.840 -0.069 0.000 0.848 143 L CB 0.843 42.898 42.059 -0.008 0.000 1.226 143 L HN 0.797 nan 8.230 nan 0.000 0.429 144 A N 0.992 123.774 122.820 -0.063 0.000 2.897 144 A HA 0.181 4.500 4.320 -0.002 0.000 0.230 144 A C 1.094 178.663 177.584 -0.026 0.000 0.896 144 A CA 0.066 52.081 52.037 -0.037 0.000 1.114 144 A CB 0.198 19.155 19.000 -0.071 0.000 1.230 144 A HN 0.633 nan 8.150 nan 0.000 0.481 145 S N -1.103 114.601 115.700 0.006 0.000 2.515 145 S HA 0.307 4.776 4.470 -0.002 0.000 0.231 145 S C 1.639 176.238 174.600 -0.000 0.000 0.987 145 S CA 1.336 59.544 58.200 0.014 0.000 0.936 145 S CB -0.126 63.097 63.200 0.039 0.000 0.766 145 S HN 2.144 nan 8.310 nan 0.000 0.528 146 G N 0.462 109.249 108.800 -0.023 0.000 2.195 146 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.246 146 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.246 146 G C -0.266 174.606 174.900 -0.047 0.000 0.984 146 G CA 0.160 45.225 45.100 -0.058 0.000 0.633 146 G HN 0.759 nan 8.290 nan 0.000 0.525 147 D N -0.767 119.640 120.400 0.010 0.000 2.593 147 D HA 0.654 5.293 4.640 -0.002 0.000 0.251 147 D C 1.524 177.895 176.300 0.118 0.000 1.140 147 D CA 0.326 54.352 54.000 0.042 0.000 0.855 147 D CB 1.128 41.947 40.800 0.031 0.000 1.267 147 D HN -0.088 nan 8.370 nan 0.000 0.532 148 T N 2.135 116.798 114.554 0.181 0.000 2.684 148 T HA -0.165 4.184 4.350 -0.002 0.000 0.267 148 T C 1.912 176.650 174.700 0.064 0.000 1.036 148 T CA 1.576 63.801 62.100 0.207 0.000 1.148 148 T CB -0.247 68.742 68.868 0.203 0.000 0.863 148 T HN 0.563 nan 8.240 nan 0.000 0.436 149 A N 1.784 124.632 122.820 0.046 0.000 1.908 149 A HA -0.168 4.151 4.320 -0.002 0.000 0.218 149 A C 2.281 179.870 177.584 0.009 0.000 1.181 149 A CA 1.688 53.734 52.037 0.016 0.000 0.627 149 A CB -0.448 18.561 19.000 0.016 0.000 0.818 149 A HN 0.478 nan 8.150 nan 0.000 0.445 150 K N -0.511 119.902 120.400 0.023 0.000 2.025 150 K HA -0.131 4.188 4.320 -0.002 0.000 0.207 150 K C 1.637 178.245 176.600 0.013 0.000 1.049 150 K CA 1.379 57.677 56.287 0.019 0.000 0.933 150 K CB -0.315 32.203 32.500 0.030 0.000 0.714 150 K HN 0.398 nan 8.250 nan 0.000 0.438 151 D N 1.267 121.682 120.400 0.026 0.000 2.092 151 D HA -0.170 4.469 4.640 -0.002 0.000 0.193 151 D C 1.925 178.174 176.300 -0.085 0.000 0.994 151 D CA 1.161 55.160 54.000 -0.002 0.000 0.828 151 D CB -0.336 40.483 40.800 0.031 0.000 0.963 151 D HN 0.162 nan 8.370 nan 0.000 0.450 152 I N 1.100 121.616 120.570 -0.089 0.000 2.264 152 I HA -0.288 3.881 4.170 -0.002 0.000 0.248 152 I C 2.432 178.485 176.117 -0.106 0.000 1.111 152 I CA 0.927 62.153 61.300 -0.123 0.000 1.382 152 I CB -0.212 37.737 38.000 -0.086 0.000 1.060 152 I HN -0.062 nan 8.210 nan 0.000 0.418 153 A N 1.586 124.368 122.820 -0.063 0.000 1.835 153 A HA -0.249 4.070 4.320 -0.002 0.000 0.215 153 A C 2.230 179.779 177.584 -0.057 0.000 1.199 153 A CA 1.989 53.998 52.037 -0.047 0.000 0.615 153 A CB -0.849 18.136 19.000 -0.024 0.000 0.838 153 A HN 0.614 nan 8.150 nan 0.000 0.444 154 E N -0.510 119.661 120.200 -0.047 0.000 2.265 154 E HA -0.037 4.312 4.350 -0.002 0.000 0.196 154 E C 1.820 178.369 176.600 -0.085 0.000 0.996 154 E CA 0.947 57.318 56.400 -0.048 0.000 0.832 154 E CB -0.579 29.129 29.700 0.014 0.000 0.756 154 E HN 0.469 nan 8.360 nan 0.000 0.491 155 G N 1.478 110.157 108.800 -0.202 0.000 2.404 155 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.215 155 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.215 155 G C 1.558 176.358 174.900 -0.167 0.000 1.174 155 G CA 0.685 45.494 45.100 -0.485 0.000 0.780 155 G HN 0.230 nan 8.290 nan 0.000 0.537 156 E N 0.378 120.510 120.200 -0.113 0.000 2.150 156 E HA -0.055 4.294 4.350 -0.002 0.000 0.193 156 E C 2.277 178.875 176.600 -0.004 0.000 0.985 156 E CA 0.983 57.363 56.400 -0.033 0.000 0.814 156 E CB -0.078 29.598 29.700 -0.039 0.000 0.752 156 E HN 0.360 nan 8.360 nan 0.000 0.466 157 K N -0.248 120.138 120.400 -0.023 0.000 2.026 157 K HA -0.106 4.213 4.320 -0.002 0.000 0.208 157 K C 1.565 178.161 176.600 -0.007 0.000 1.048 157 K CA 1.182 57.454 56.287 -0.026 0.000 0.929 157 K CB -0.350 32.117 32.500 -0.055 0.000 0.713 157 K HN 0.126 nan 8.250 nan 0.000 0.439 158 L N 0.598 121.841 121.223 0.033 0.000 2.376 158 L HA 0.074 4.413 4.340 -0.002 0.000 0.219 158 L C 1.694 178.634 176.870 0.116 0.000 1.133 158 L CA 1.131 56.014 54.840 0.072 0.000 0.816 158 L CB -0.323 41.838 42.059 0.171 0.000 0.933 158 L HN 0.181 nan 8.230 nan 0.000 0.449 159 L N -1.294 120.015 121.223 0.143 0.000 2.591 159 L HA 0.215 4.554 4.340 -0.002 0.000 0.228 159 L C 0.821 177.726 176.870 0.058 0.000 1.133 159 L CA -0.059 54.853 54.840 0.120 0.000 0.880 159 L CB -0.220 41.924 42.059 0.142 0.000 1.033 159 L HN 0.235 nan 8.230 nan 0.000 0.450 166 A N 1.018 123.552 122.820 -0.475 0.000 2.455 166 A HA 0.806 5.125 4.320 -0.002 0.000 0.300 166 A C -1.439 175.817 177.584 -0.547 0.000 1.040 166 A CA -0.396 51.461 52.037 -0.300 0.000 0.697 166 A CB 1.100 20.066 19.000 -0.056 0.000 1.265 166 A HN 0.076 nan 8.150 nan 0.000 0.407 167 F N 0.853 120.880 119.950 0.129 0.000 2.565 167 F HA 0.612 5.138 4.527 -0.002 0.000 0.313 167 F C 0.199 176.046 175.800 0.080 0.000 1.091 167 F CA -0.549 57.518 58.000 0.112 0.000 0.915 167 F CB 2.628 41.683 39.000 0.093 0.000 1.208 167 F HN 0.562 nan 8.300 nan 0.000 0.453 168 K N 4.463 125.005 120.400 0.238 0.000 2.307 168 K HA 0.669 4.988 4.320 -0.002 0.000 0.263 168 K C -1.734 174.914 176.600 0.080 0.000 0.973 168 K CA -0.406 55.961 56.287 0.134 0.000 0.846 168 K CB 0.854 33.437 32.500 0.138 0.000 1.100 168 K HN 0.724 nan 8.250 nan 0.000 0.438 169 L N 4.329 125.591 121.223 0.066 0.000 2.295 169 L HA 0.448 4.787 4.340 -0.002 0.000 0.285 169 L C 0.030 176.920 176.870 0.032 0.000 1.035 169 L CA -1.099 53.777 54.840 0.060 0.000 0.806 169 L CB 1.303 43.410 42.059 0.079 0.000 1.214 169 L HN 0.452 nan 8.230 nan 0.000 0.426 170 K N 5.420 125.833 120.400 0.023 0.000 2.227 170 K HA 0.637 4.956 4.320 -0.002 0.000 0.280 170 K C -0.379 176.212 176.600 -0.014 0.000 1.041 170 K CA -0.259 56.020 56.287 -0.014 0.000 0.905 170 K CB 2.101 34.588 32.500 -0.023 0.000 1.068 170 K HN 0.633 nan 8.250 nan 0.000 0.470 171 I N -3.507 117.026 120.570 -0.061 0.000 3.467 171 I HA 0.705 4.874 4.170 -0.002 0.000 0.314 171 I C 0.600 176.635 176.117 -0.137 0.000 1.177 171 I CA -0.872 60.395 61.300 -0.056 0.000 0.943 171 I CB 2.127 40.135 38.000 0.014 0.000 1.338 171 I HN 0.606 nan 8.210 nan 0.000 0.482 172 G N 0.524 109.284 108.800 -0.066 0.000 2.184 172 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.206 172 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.206 172 G C 0.589 175.498 174.900 0.016 0.000 0.995 172 G CA 0.375 45.422 45.100 -0.087 0.000 0.651 172 G HN 1.361 nan 8.290 nan 0.000 0.511 173 A N -0.447 122.382 122.820 0.014 0.000 2.303 173 A HA 0.694 5.013 4.320 -0.002 0.000 0.217 173 A C 1.299 178.902 177.584 0.031 0.000 1.205 173 A CA 0.994 53.041 52.037 0.015 0.000 0.875 173 A CB 0.220 19.216 19.000 -0.006 0.000 0.910 173 A HN 0.458 nan 8.150 nan 0.000 0.501 174 R N -0.280 120.253 120.500 0.054 0.000 2.988 174 R HA 0.443 4.782 4.340 -0.002 0.000 0.244 174 R C -0.759 175.595 176.300 0.090 0.000 1.269 174 R CA -1.023 55.108 56.100 0.052 0.000 1.046 174 R CB 0.506 30.821 30.300 0.024 0.000 1.282 174 R HN 0.146 nan 8.270 nan 0.000 0.495 175 E N 1.326 121.564 120.200 0.063 0.000 2.418 175 E HA -0.078 4.271 4.350 -0.002 0.000 0.261 175 E C 0.937 177.582 176.600 0.075 0.000 1.070 175 E CA 0.061 56.494 56.400 0.056 0.000 0.931 175 E CB 0.617 30.333 29.700 0.026 0.000 0.954 175 E HN 0.335 nan 8.360 nan 0.000 0.439 176 L N 3.360 124.605 121.223 0.037 0.000 2.013 176 L HA -0.254 4.085 4.340 -0.002 0.000 0.212 176 L C 2.025 178.910 176.870 0.026 0.000 1.073 176 L CA 2.737 57.579 54.840 0.004 0.000 0.753 176 L CB -0.972 40.976 42.059 -0.185 0.000 0.890 176 L HN 0.670 nan 8.230 nan 0.000 0.432 177 A N -1.210 121.612 122.820 0.003 0.000 1.908 177 A HA -0.270 4.049 4.320 -0.002 0.000 0.218 177 A C 2.382 179.993 177.584 0.045 0.000 1.181 177 A CA 2.789 54.834 52.037 0.014 0.000 0.627 177 A CB -1.453 17.548 19.000 0.002 0.000 0.818 177 A HN 0.674 nan 8.150 nan 0.000 0.445 178 T N -2.570 112.015 114.554 0.052 0.000 2.777 178 T HA -0.147 4.202 4.350 -0.002 0.000 0.266 178 T C 1.442 176.203 174.700 0.103 0.000 1.040 178 T CA 1.573 63.711 62.100 0.063 0.000 1.141 178 T CB -0.482 68.411 68.868 0.042 0.000 0.868 178 T HN 0.328 nan 8.240 nan 0.000 0.444 179 D N 1.216 121.691 120.400 0.125 0.000 2.178 179 D HA 0.061 4.700 4.640 -0.002 0.000 0.202 179 D C 2.108 178.536 176.300 0.212 0.000 0.974 179 D CA 0.643 54.753 54.000 0.183 0.000 0.841 179 D CB -0.259 40.689 40.800 0.245 0.000 0.953 179 D HN 0.389 nan 8.370 nan 0.000 0.478 180 L N -0.033 121.286 121.223 0.160 0.000 2.109 180 L HA -0.030 4.309 4.340 -0.002 0.000 0.207 180 L C 2.555 179.483 176.870 0.097 0.000 1.086 180 L CA 0.590 55.505 54.840 0.125 0.000 0.760 180 L CB -0.166 41.937 42.059 0.073 0.000 0.910 180 L HN -0.074 nan 8.230 nan 0.000 0.437 181 R N -0.552 120.005 120.500 0.094 0.000 2.075 181 R HA -0.223 4.116 4.340 -0.002 0.000 0.232 181 R C 2.459 178.814 176.300 0.091 0.000 1.126 181 R CA 1.599 57.744 56.100 0.075 0.000 0.963 181 R CB -0.221 30.120 30.300 0.067 0.000 0.858 181 R HN 0.347 nan 8.270 nan 0.000 0.435 182 H N -0.431 118.658 119.070 0.032 0.000 2.321 182 H HA -0.055 4.500 4.556 -0.002 0.000 0.300 182 H C 1.630 176.973 175.328 0.024 0.000 1.087 182 H CA 2.544 58.607 56.048 0.024 0.000 1.319 182 H CB -0.316 29.463 29.762 0.028 0.000 1.379 182 H HN 0.104 nan 8.280 nan 0.000 0.501 183 T N 0.520 115.068 114.554 -0.009 0.000 2.708 183 T HA -0.159 4.190 4.350 -0.002 0.000 0.266 183 T C 2.064 176.725 174.700 -0.065 0.000 1.037 183 T CA 1.475 63.535 62.100 -0.066 0.000 1.146 183 T CB -0.268 68.640 68.868 0.067 0.000 0.865 183 T HN 0.329 nan 8.240 nan 0.000 0.435 184 R N 0.818 121.310 120.500 -0.013 0.000 2.105 184 R HA -0.078 4.261 4.340 -0.002 0.000 0.239 184 R C 2.557 178.837 176.300 -0.034 0.000 1.135 184 R CA 1.411 57.505 56.100 -0.009 0.000 0.967 184 R CB -0.411 29.895 30.300 0.010 0.000 0.861 184 R HN 0.393 nan 8.270 nan 0.000 0.442 185 A N 0.899 123.686 122.820 -0.056 0.000 1.902 185 A HA -0.125 4.194 4.320 -0.002 0.000 0.217 185 A C 2.121 179.649 177.584 -0.093 0.000 1.181 185 A CA 1.285 53.285 52.037 -0.062 0.000 0.623 185 A CB -0.408 18.557 19.000 -0.057 0.000 0.818 185 A HN 0.337 nan 8.150 nan 0.000 0.443 186 I N -0.559 119.916 120.570 -0.158 0.000 2.252 186 I HA -0.197 3.972 4.170 -0.002 0.000 0.245 186 I C 2.351 178.417 176.117 -0.086 0.000 1.102 186 I CA 0.997 62.200 61.300 -0.162 0.000 1.385 186 I CB -0.329 37.524 38.000 -0.244 0.000 1.064 186 I HN 0.144 nan 8.210 nan 0.000 0.414 187 V N 0.774 120.655 119.914 -0.054 0.000 2.287 187 V HA -0.301 3.818 4.120 -0.002 0.000 0.248 187 V C 2.360 178.452 176.094 -0.003 0.000 1.053 187 V CA 1.993 64.289 62.300 -0.008 0.000 1.027 187 V CB -0.626 31.201 31.823 0.007 0.000 0.646 187 V HN 0.432 nan 8.190 nan 0.000 0.447 188 E N -0.171 120.022 120.200 -0.013 0.000 2.110 188 E HA -0.174 4.175 4.350 -0.002 0.000 0.193 188 E C 2.247 178.842 176.600 -0.009 0.000 0.988 188 E CA 1.286 57.683 56.400 -0.006 0.000 0.804 188 E CB -0.263 29.431 29.700 -0.009 0.000 0.745 188 E HN 0.620 nan 8.360 nan 0.000 0.458 189 A N 0.010 122.815 122.820 -0.025 0.000 1.930 189 A HA -0.054 4.265 4.320 -0.002 0.000 0.215 189 A C 1.773 179.346 177.584 -0.018 0.000 1.176 189 A CA 0.930 52.951 52.037 -0.028 0.000 0.632 189 A CB 0.156 19.126 19.000 -0.050 0.000 0.819 189 A HN 0.100 nan 8.150 nan 0.000 0.445 190 L N -1.556 119.658 121.223 -0.016 0.000 2.642 190 L HA 0.261 4.600 4.340 -0.002 0.000 0.233 190 L C 2.348 179.266 176.870 0.079 0.000 1.077 190 L CA 0.958 55.813 54.840 0.026 0.000 0.879 190 L CB -1.013 41.033 42.059 -0.021 0.000 1.151 190 L HN 0.320 nan 8.230 nan 0.000 0.495 191 G N -0.449 108.387 108.800 0.059 0.000 2.564 191 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.216 191 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.216 191 G C 1.209 176.146 174.900 0.062 0.000 1.124 191 G CA 1.065 46.207 45.100 0.070 0.000 0.764 191 G HN 0.411 nan 8.290 nan 0.000 0.550 192 D N 0.380 120.813 120.400 0.054 0.000 2.213 192 D HA -0.045 4.594 4.640 -0.002 0.000 0.205 192 D C 2.356 178.686 176.300 0.051 0.000 0.961 192 D CA 0.683 54.710 54.000 0.044 0.000 0.853 192 D CB 0.134 40.954 40.800 0.033 0.000 0.967 192 D HN 0.333 nan 8.370 nan 0.000 0.496 193 R N -0.338 120.205 120.500 0.071 0.000 2.549 193 R HA 0.566 4.905 4.340 -0.002 0.000 0.344 193 R C -0.434 175.922 176.300 0.093 0.000 0.979 193 R CA -0.251 55.892 56.100 0.071 0.000 1.140 193 R CB 0.149 30.489 30.300 0.067 0.000 1.377 193 R HN 0.056 nan 8.270 nan 0.000 0.541 194 A N 0.724 123.620 122.820 0.126 0.000 2.539 194 A HA 0.570 4.889 4.320 -0.002 0.000 0.296 194 A C -0.920 176.746 177.584 0.138 0.000 1.073 194 A CA -0.538 51.586 52.037 0.143 0.000 0.700 194 A CB 1.917 21.105 19.000 0.312 0.000 1.296 194 A HN 0.110 nan 8.150 nan 0.000 0.405 195 S N 1.367 117.127 115.700 0.100 0.000 2.499 195 S HA 0.505 4.974 4.470 -0.002 0.000 0.275 195 S C -0.252 174.446 174.600 0.165 0.000 1.257 195 S CA -0.361 57.911 58.200 0.120 0.000 1.050 195 S CB -0.368 62.899 63.200 0.111 0.000 0.937 195 S HN 0.431 nan 8.310 nan 0.000 0.490 196 I N 5.495 126.161 120.570 0.159 0.000 2.339 196 I HA 0.470 4.639 4.170 -0.002 0.000 0.290 196 I C 0.066 176.251 176.117 0.113 0.000 0.994 196 I CA -0.547 60.848 61.300 0.159 0.000 1.191 196 I CB 1.221 39.295 38.000 0.124 0.000 1.343 196 I HN 0.628 nan 8.210 nan 0.000 0.458 197 R N 4.407 124.967 120.500 0.101 0.000 2.803 197 R HA 0.812 5.151 4.340 -0.002 0.000 0.276 197 R C -0.627 175.682 176.300 0.015 0.000 0.978 197 R CA -0.788 55.328 56.100 0.027 0.000 0.939 197 R CB 2.330 32.621 30.300 -0.015 0.000 1.179 197 R HN 0.484 nan 8.270 nan 0.000 0.472 198 V N -2.056 117.838 119.914 -0.032 0.000 2.914 198 V HA 0.725 4.844 4.120 -0.002 0.000 0.314 198 V C -1.150 174.886 176.094 -0.096 0.000 1.084 198 V CA -0.767 61.510 62.300 -0.037 0.000 0.963 198 V CB 2.295 34.105 31.823 -0.021 0.000 1.025 198 V HN 0.699 nan 8.190 nan 0.000 0.432 199 D N 1.587 121.925 120.400 -0.103 0.000 2.542 199 D HA 0.510 5.149 4.640 -0.002 0.000 0.252 199 D C 0.203 176.385 176.300 -0.197 0.000 1.222 199 D CA -0.307 53.614 54.000 -0.132 0.000 0.895 199 D CB 2.087 42.845 40.800 -0.070 0.000 1.207 199 D HN 0.360 nan 8.370 nan 0.000 0.558 200 V N 3.233 122.958 119.914 -0.315 0.000 3.608 200 V HA 0.045 4.164 4.120 -0.002 0.000 0.269 200 V C 1.035 176.939 176.094 -0.318 0.000 1.245 200 V CA 0.122 62.124 62.300 -0.495 0.000 1.138 200 V CB -1.380 29.875 31.823 -0.948 0.000 0.841 200 V HN 0.790 nan 8.190 nan 0.000 0.451 201 N N 1.621 120.209 118.700 -0.187 0.000 2.698 201 N HA -0.310 4.429 4.740 -0.002 0.000 0.258 201 N C 0.704 176.146 175.510 -0.112 0.000 0.978 201 N CA 1.204 54.197 53.050 -0.094 0.000 0.777 201 N CB -1.014 37.476 38.487 0.006 0.000 0.907 201 N HN 0.747 nan 8.380 nan 0.000 0.543 202 Q N -3.874 115.842 119.800 -0.139 0.000 2.324 202 Q HA -0.331 4.008 4.340 -0.002 0.000 0.200 202 Q C 1.162 177.109 176.000 -0.089 0.000 0.645 202 Q CA 1.308 57.046 55.803 -0.108 0.000 1.377 202 Q CB -1.768 26.906 28.738 -0.107 0.000 1.486 202 Q HN 0.656 nan 8.270 nan 0.000 0.796 203 A N -0.072 122.660 122.820 -0.148 0.000 1.972 203 A HA -0.119 4.200 4.320 -0.002 0.000 0.219 203 A C 0.421 178.075 177.584 0.118 0.000 1.169 203 A CA 0.931 52.924 52.037 -0.073 0.000 0.635 203 A CB -0.170 18.744 19.000 -0.143 0.000 0.810 203 A HN 0.389 nan 8.150 nan 0.000 0.446 204 W N 2.096 123.393 121.300 -0.005 0.000 2.316 204 W HA 0.351 5.010 4.660 -0.002 0.000 0.321 204 W C 0.001 176.521 176.519 0.001 0.000 1.203 204 W CA -1.672 55.673 57.345 -0.001 0.000 1.214 204 W CB 0.092 29.553 29.460 0.002 0.000 1.169 204 W HN 0.430 nan 8.180 nan 0.000 0.561 205 D N 0.503 121.035 120.400 0.221 0.000 2.398 205 D HA 0.270 4.909 4.640 -0.002 0.000 0.247 205 D C 1.015 177.377 176.300 0.103 0.000 1.227 205 D CA -0.281 53.789 54.000 0.118 0.000 0.980 205 D CB 0.932 41.770 40.800 0.064 0.000 1.106 205 D HN 0.291 nan 8.370 nan 0.000 0.493 206 A N 0.683 123.545 122.820 0.069 0.000 1.908 206 A HA -0.093 4.226 4.320 -0.002 0.000 0.218 206 A C 2.241 179.836 177.584 0.017 0.000 1.181 206 A CA 2.627 54.696 52.037 0.054 0.000 0.627 206 A CB -1.123 17.901 19.000 0.041 0.000 0.818 206 A HN 0.716 nan 8.150 nan 0.000 0.445 207 A N -1.235 121.580 122.820 -0.009 0.000 1.873 207 A HA -0.060 4.258 4.320 -0.002 0.000 0.215 207 A C 2.319 179.839 177.584 -0.108 0.000 1.186 207 A CA 2.247 54.257 52.037 -0.046 0.000 0.616 207 A CB -1.290 17.684 19.000 -0.043 0.000 0.823 207 A HN 0.425 nan 8.150 nan 0.000 0.442 208 T N -0.151 114.314 114.554 -0.147 0.000 2.746 208 T HA -0.049 4.300 4.350 -0.002 0.000 0.267 208 T C 1.951 176.362 174.700 -0.482 0.000 1.039 208 T CA 1.451 63.340 62.100 -0.352 0.000 1.142 208 T CB -0.630 67.999 68.868 -0.399 0.000 0.866 208 T HN 0.589 nan 8.240 nan 0.000 0.444 209 G N 1.094 109.802 108.800 -0.152 0.000 2.418 209 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.217 209 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.217 209 G C 1.815 176.711 174.900 -0.006 0.000 1.158 209 G CA 0.945 46.094 45.100 0.082 0.000 0.771 209 G HN 0.581 nan 8.290 nan 0.000 0.545 210 A N 0.681 123.478 122.820 -0.037 0.000 1.858 210 A HA -0.010 4.309 4.320 -0.002 0.000 0.216 210 A C 2.224 179.761 177.584 -0.077 0.000 1.190 210 A CA 2.150 54.169 52.037 -0.030 0.000 0.617 210 A CB -0.463 18.522 19.000 -0.026 0.000 0.827 210 A HN 0.392 nan 8.150 nan 0.000 0.443 211 K N -0.758 119.555 120.400 -0.144 0.000 2.026 211 K HA -0.096 4.223 4.320 -0.002 0.000 0.208 211 K C 2.083 178.561 176.600 -0.202 0.000 1.048 211 K CA 1.418 57.610 56.287 -0.159 0.000 0.929 211 K CB -0.577 31.813 32.500 -0.182 0.000 0.713 211 K HN 0.375 nan 8.250 nan 0.000 0.439 212 G N 0.786 109.345 108.800 -0.403 0.000 2.446 212 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.217 212 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.217 212 G C 1.661 176.532 174.900 -0.048 0.000 1.168 212 G CA 1.095 45.912 45.100 -0.471 0.000 0.771 212 G HN 0.443 nan 8.290 nan 0.000 0.551 213 C N -0.022 119.315 119.300 0.062 0.000 2.429 213 C HA 0.059 4.518 4.460 -0.002 0.000 0.277 213 C C 2.966 177.994 174.990 0.063 0.000 1.262 213 C CA 0.618 59.724 59.018 0.146 0.000 1.733 213 C CB -0.843 26.986 27.740 0.149 0.000 2.010 213 C HN 0.446 nan 8.230 nan 0.000 0.483 214 R N 0.616 121.126 120.500 0.016 0.000 2.081 214 R HA -0.116 4.223 4.340 -0.002 0.000 0.235 214 R C 2.215 178.521 176.300 0.010 0.000 1.131 214 R CA 1.169 57.273 56.100 0.007 0.000 0.960 214 R CB -0.270 30.023 30.300 -0.012 0.000 0.856 214 R HN 0.601 nan 8.270 nan 0.000 0.436 215 E N 0.798 120.999 120.200 0.002 0.000 2.047 215 E HA -0.160 4.189 4.350 -0.002 0.000 0.191 215 E C 2.177 178.800 176.600 0.039 0.000 0.987 215 E CA 0.967 57.373 56.400 0.010 0.000 0.799 215 E CB -0.186 29.511 29.700 -0.006 0.000 0.752 215 E HN 0.340 nan 8.360 nan 0.000 0.449 216 L N 0.565 121.830 121.223 0.069 0.000 2.046 216 L HA -0.175 4.164 4.340 -0.002 0.000 0.208 216 L C 2.571 179.477 176.870 0.059 0.000 1.077 216 L CA 1.174 56.065 54.840 0.086 0.000 0.747 216 L CB -0.526 41.614 42.059 0.134 0.000 0.896 216 L HN 0.067 nan 8.230 nan 0.000 0.432 217 A N -0.018 122.832 122.820 0.050 0.000 1.898 217 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 217 A C 2.521 180.124 177.584 0.031 0.000 1.181 217 A CA 1.630 53.689 52.037 0.037 0.000 0.620 217 A CB -0.695 18.323 19.000 0.029 0.000 0.819 217 A HN 0.390 nan 8.150 nan 0.000 0.442 218 A N 0.422 123.257 122.820 0.026 0.000 1.972 218 A HA -0.093 4.226 4.320 -0.002 0.000 0.219 218 A C 2.186 179.784 177.584 0.023 0.000 1.169 218 A CA 1.758 53.807 52.037 0.020 0.000 0.635 218 A CB -0.713 18.295 19.000 0.013 0.000 0.810 218 A HN 0.826 nan 8.150 nan 0.000 0.446 219 M N -2.881 116.735 119.600 0.028 0.000 2.618 219 M HA 0.404 4.883 4.480 -0.002 0.000 0.240 219 M C 1.098 177.417 176.300 0.032 0.000 1.123 219 M CA 1.024 56.341 55.300 0.027 0.000 1.060 219 M CB 0.076 32.693 32.600 0.029 0.000 1.535 219 M HN 0.636 nan 8.290 nan 0.000 0.507 220 G N 0.912 109.734 108.800 0.036 0.000 2.144 220 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.218 220 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.218 220 G C -0.112 174.820 174.900 0.054 0.000 0.988 220 G CA -0.114 45.011 45.100 0.043 0.000 0.659 220 G HN 0.368 nan 8.290 nan 0.000 0.522 221 V N 1.517 121.463 119.914 0.053 0.000 2.585 221 V HA 0.167 4.286 4.120 -0.002 0.000 0.296 221 V C 1.380 177.512 176.094 0.063 0.000 1.035 221 V CA 0.728 63.063 62.300 0.057 0.000 1.084 221 V CB 1.186 33.040 31.823 0.051 0.000 0.953 221 V HN 0.301 nan 8.190 nan 0.000 0.483 222 D N 2.909 123.362 120.400 0.088 0.000 2.234 222 D HA 0.101 4.740 4.640 -0.002 0.000 0.205 222 D C 0.148 176.484 176.300 0.060 0.000 0.962 222 D CA 0.886 54.972 54.000 0.143 0.000 0.855 222 D CB 0.441 41.392 40.800 0.252 0.000 0.951 222 D HN 0.309 nan 8.370 nan 0.000 0.500 223 L N 0.278 121.460 121.223 -0.068 0.000 2.513 223 L HA 0.383 4.722 4.340 -0.002 0.000 0.261 223 L C -1.811 174.941 176.870 -0.197 0.000 0.945 223 L CA -0.465 54.201 54.840 -0.291 0.000 0.848 223 L CB 2.230 43.935 42.059 -0.589 0.000 1.334 223 L HN -0.238 nan 8.230 nan 0.000 0.407 224 I N 3.679 124.137 120.570 -0.187 0.000 2.382 224 I HA 0.397 4.566 4.170 -0.002 0.000 0.285 224 I C -0.305 175.720 176.117 -0.153 0.000 1.007 224 I CA -0.490 60.738 61.300 -0.119 0.000 1.142 224 I CB 1.744 39.726 38.000 -0.030 0.000 1.289 224 I HN 0.626 nan 8.210 nan 0.000 0.453 225 E N 5.882 125.978 120.200 -0.175 0.000 2.200 225 E HA 0.105 4.454 4.350 -0.002 0.000 0.283 225 E C -0.135 176.382 176.600 -0.139 0.000 1.015 225 E CA -0.644 55.654 56.400 -0.170 0.000 0.819 225 E CB 0.798 30.386 29.700 -0.186 0.000 1.081 225 E HN 0.456 nan 8.360 nan 0.000 0.397 226 Q N 3.999 123.739 119.800 -0.101 0.000 2.413 226 Q HA -0.174 4.165 4.340 -0.002 0.000 0.364 226 Q C -1.928 174.005 176.000 -0.113 0.000 1.359 226 Q CA 0.692 56.441 55.803 -0.090 0.000 1.097 226 Q CB -0.268 28.413 28.738 -0.095 0.000 1.286 226 Q HN 0.513 nan 8.270 nan 0.000 0.358 227 P HA -0.121 nan 4.420 nan 0.000 0.218 227 P C 0.509 177.816 177.300 0.011 0.000 1.149 227 P CA 1.662 64.713 63.100 -0.082 0.000 0.817 227 P CB 0.054 31.827 31.700 0.122 0.000 0.785 228 V N -3.760 116.181 119.914 0.045 0.000 3.166 228 V HA 0.631 4.750 4.120 -0.002 0.000 0.317 228 V C 0.403 176.497 176.094 -0.000 0.000 1.136 228 V CA -1.255 61.085 62.300 0.066 0.000 1.035 228 V CB 0.993 32.873 31.823 0.095 0.000 1.110 228 V HN -0.012 nan 8.190 nan 0.000 0.450 229 S N 0.495 116.198 115.700 0.005 0.000 2.579 229 S HA 0.436 4.905 4.470 -0.002 0.000 0.275 229 S C 1.321 175.876 174.600 -0.074 0.000 1.345 229 S CA 0.123 58.290 58.200 -0.055 0.000 1.031 229 S CB 0.924 64.109 63.200 -0.024 0.000 0.892 229 S HN 1.751 nan 8.310 nan 0.000 0.529 230 A N 2.844 125.565 122.820 -0.165 0.000 2.209 230 A HA 0.057 4.376 4.320 -0.002 0.000 0.212 230 A C 1.425 178.969 177.584 -0.066 0.000 1.158 230 A CA 1.001 52.955 52.037 -0.137 0.000 0.742 230 A CB -0.853 18.045 19.000 -0.171 0.000 0.790 230 A HN 1.009 nan 8.150 nan 0.000 0.472 231 H N -1.857 117.201 119.070 -0.019 0.000 2.551 231 H HA 0.048 4.603 4.556 -0.001 0.000 0.266 231 H C -0.073 175.251 175.328 -0.007 0.000 0.977 231 H CA 0.426 56.466 56.048 -0.014 0.000 1.163 231 H CB 0.467 30.222 29.762 -0.011 0.000 1.381 231 H HN 0.310 nan 8.280 nan 0.000 0.581 232 D N -0.497 119.963 120.400 0.100 0.000 2.739 232 D HA 0.073 4.712 4.640 -0.002 0.000 0.335 232 D C 0.081 176.405 176.300 0.040 0.000 1.216 232 D CA -0.144 53.895 54.000 0.067 0.000 0.808 232 D CB -0.387 40.455 40.800 0.069 0.000 1.121 232 D HN 0.232 nan 8.370 nan 0.000 0.499 233 N N -0.016 118.699 118.700 0.024 0.000 2.309 233 N HA -0.137 4.602 4.740 -0.002 0.000 0.182 233 N C 1.750 177.283 175.510 0.038 0.000 1.018 233 N CA 0.757 53.811 53.050 0.006 0.000 0.876 233 N CB 0.404 38.881 38.487 -0.017 0.000 0.972 233 N HN 0.265 nan 8.380 nan 0.000 0.434 234 A N 1.281 124.126 122.820 0.042 0.000 1.902 234 A HA -0.060 4.259 4.320 -0.002 0.000 0.217 234 A C 2.330 179.950 177.584 0.059 0.000 1.181 234 A CA 1.695 53.761 52.037 0.048 0.000 0.623 234 A CB -0.679 18.343 19.000 0.038 0.000 0.818 234 A HN 0.344 nan 8.150 nan 0.000 0.443 235 A N -0.729 122.127 122.820 0.059 0.000 1.930 235 A HA 0.039 4.358 4.320 -0.002 0.000 0.217 235 A C 2.107 179.744 177.584 0.088 0.000 1.175 235 A CA 1.569 53.645 52.037 0.066 0.000 0.627 235 A CB -0.564 18.476 19.000 0.066 0.000 0.815 235 A HN 0.606 nan 8.150 nan 0.000 0.443 236 L N -0.058 121.222 121.223 0.094 0.000 2.046 236 L HA -0.123 4.216 4.340 -0.002 0.000 0.208 236 L C 2.404 179.414 176.870 0.234 0.000 1.077 236 L CA 1.850 56.774 54.840 0.140 0.000 0.747 236 L CB -0.445 41.660 42.059 0.077 0.000 0.896 236 L HN 0.163 nan 8.230 nan 0.000 0.432 237 V N -0.140 119.901 119.914 0.211 0.000 2.295 237 V HA -0.301 3.818 4.120 -0.002 0.000 0.246 237 V C 2.750 178.916 176.094 0.120 0.000 1.049 237 V CA 2.137 64.574 62.300 0.229 0.000 1.024 237 V CB -0.734 31.184 31.823 0.158 0.000 0.648 237 V HN 0.529 nan 8.190 nan 0.000 0.447 238 R N -0.219 120.333 120.500 0.087 0.000 2.083 238 R HA -0.173 4.166 4.340 -0.002 0.000 0.237 238 R C 2.293 178.620 176.300 0.046 0.000 1.137 238 R CA 1.795 57.927 56.100 0.053 0.000 0.951 238 R CB -0.338 29.990 30.300 0.046 0.000 0.851 238 R HN 0.452 nan 8.270 nan 0.000 0.434 239 L N 0.552 121.816 121.223 0.067 0.000 2.046 239 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 239 L C 2.691 179.578 176.870 0.029 0.000 1.077 239 L CA 1.644 56.519 54.840 0.059 0.000 0.747 239 L CB -0.524 41.590 42.059 0.091 0.000 0.896 239 L HN 0.379 nan 8.230 nan 0.000 0.432 240 S N -0.709 115.006 115.700 0.026 0.000 2.419 240 S HA -0.252 4.216 4.470 -0.002 0.000 0.235 240 S C 1.785 176.317 174.600 -0.115 0.000 1.019 240 S CA 1.207 59.344 58.200 -0.105 0.000 0.982 240 S CB -0.312 62.694 63.200 -0.323 0.000 0.789 240 S HN 0.538 nan 8.310 nan 0.000 0.490 241 Q N 0.519 120.285 119.800 -0.056 0.000 2.402 241 Q HA 0.066 4.405 4.340 -0.002 0.000 0.206 241 Q C 2.313 178.297 176.000 -0.028 0.000 0.919 241 Q CA 0.940 56.715 55.803 -0.048 0.000 0.923 241 Q CB 0.023 28.745 28.738 -0.026 0.000 1.048 241 Q HN 0.971 nan 8.270 nan 0.000 0.515 242 Q N -0.708 119.083 119.800 -0.015 0.000 2.353 242 Q HA 0.143 4.482 4.340 -0.002 0.000 0.240 242 Q C 0.358 176.355 176.000 -0.005 0.000 0.868 242 Q CA -0.122 55.677 55.803 -0.007 0.000 0.944 242 Q CB 0.585 29.323 28.738 0.001 0.000 1.104 242 Q HN 0.086 nan 8.270 nan 0.000 0.531 243 I N 3.279 123.847 120.570 -0.003 0.000 2.496 243 I HA 0.048 4.217 4.170 -0.002 0.000 0.285 243 I C 0.441 176.555 176.117 -0.005 0.000 1.080 243 I CA 0.060 61.362 61.300 0.003 0.000 1.404 243 I CB 1.147 39.157 38.000 0.017 0.000 1.403 243 I HN 0.294 nan 8.210 nan 0.000 0.539 244 E N 3.864 124.066 120.200 0.003 0.000 2.424 244 E HA 0.108 4.457 4.350 -0.002 0.000 0.237 244 E C 0.117 176.725 176.600 0.013 0.000 1.381 244 E CA 0.024 56.427 56.400 0.005 0.000 1.587 244 E CB 0.208 29.912 29.700 0.008 0.000 1.398 244 E HN 0.565 nan 8.360 nan 0.000 0.439 245 T N -0.760 113.798 114.554 0.007 0.000 2.749 245 T HA 0.456 4.805 4.350 -0.002 0.000 0.310 245 T C -1.496 173.193 174.700 -0.018 0.000 1.496 245 T CA -0.511 61.598 62.100 0.015 0.000 1.006 245 T CB 1.239 70.120 68.868 0.021 0.000 1.457 245 T HN 0.138 nan 8.240 nan 0.000 0.497 246 A N 2.458 125.262 122.820 -0.028 0.000 2.425 246 A HA 0.632 4.951 4.320 -0.002 0.000 0.249 246 A C -0.200 177.262 177.584 -0.204 0.000 1.084 246 A CA -0.273 51.689 52.037 -0.125 0.000 0.781 246 A CB -0.094 18.804 19.000 -0.169 0.000 1.019 246 A HN 0.613 nan 8.150 nan 0.000 0.490 247 I N 2.345 122.803 120.570 -0.185 0.000 2.441 247 I HA 0.327 4.496 4.170 -0.002 0.000 0.295 247 I C -0.262 175.826 176.117 -0.048 0.000 0.994 247 I CA -0.376 60.874 61.300 -0.084 0.000 1.144 247 I CB 1.341 39.376 38.000 0.058 0.000 1.314 247 I HN 0.554 nan 8.210 nan 0.000 0.445 248 L N 5.419 126.576 121.223 -0.109 0.000 2.305 248 L HA 0.640 4.979 4.340 -0.002 0.000 0.284 248 L C -0.055 176.804 176.870 -0.020 0.000 1.013 248 L CA -0.516 54.243 54.840 -0.135 0.000 0.819 248 L CB 1.646 43.470 42.059 -0.392 0.000 1.227 248 L HN 0.743 nan 8.230 nan 0.000 0.417 249 A N 3.322 126.167 122.820 0.041 0.000 2.301 249 A HA 0.385 4.704 4.320 -0.002 0.000 0.298 249 A C -0.286 177.236 177.584 -0.104 0.000 1.185 249 A CA -0.433 51.528 52.037 -0.127 0.000 0.830 249 A CB 1.160 19.921 19.000 -0.398 0.000 1.112 249 A HN 0.833 nan 8.150 nan 0.000 0.508 250 D N 0.828 121.160 120.400 -0.114 0.000 3.013 250 D HA 0.048 4.687 4.640 -0.002 0.000 0.235 250 D C 1.246 177.490 176.300 -0.093 0.000 1.540 250 D CA 0.390 54.347 54.000 -0.072 0.000 1.303 250 D CB -0.156 40.623 40.800 -0.034 0.000 0.980 250 D HN 0.404 nan 8.370 nan 0.000 0.250 251 E N 0.307 120.464 120.200 -0.072 0.000 2.267 251 E HA -0.014 4.335 4.350 -0.002 0.000 0.197 251 E C 1.700 178.234 176.600 -0.109 0.000 0.998 251 E CA 1.138 57.497 56.400 -0.069 0.000 0.830 251 E CB -0.336 29.324 29.700 -0.066 0.000 0.751 251 E HN 0.356 nan 8.360 nan 0.000 0.491 252 A N 0.080 122.807 122.820 -0.156 0.000 2.119 252 A HA 0.032 4.351 4.320 -0.002 0.000 0.217 252 A C 0.883 178.325 177.584 -0.237 0.000 1.153 252 A CA 0.544 52.468 52.037 -0.188 0.000 0.692 252 A CB 0.397 19.257 19.000 -0.234 0.000 0.799 252 A HN 0.122 nan 8.150 nan 0.000 0.458 253 V N -1.413 118.335 119.914 -0.278 0.000 2.524 253 V HA 0.665 4.784 4.120 -0.002 0.000 0.297 253 V C 0.228 176.196 176.094 -0.210 0.000 1.035 253 V CA 0.042 62.137 62.300 -0.342 0.000 0.867 253 V CB 1.325 32.694 31.823 -0.757 0.000 1.004 253 V HN 0.391 nan 8.190 nan 0.000 0.426 254 A N 4.811 127.561 122.820 -0.117 0.000 1.995 254 A HA 0.484 4.803 4.320 -0.002 0.000 0.200 254 A C 1.077 178.650 177.584 -0.018 0.000 1.566 254 A CA 0.945 52.957 52.037 -0.042 0.000 0.895 254 A CB 0.067 19.075 19.000 0.012 0.000 1.046 254 A HN 1.071 nan 8.150 nan 0.000 0.523 255 T N -4.014 110.546 114.554 0.009 0.000 2.937 255 T HA 0.641 4.990 4.350 -0.002 0.000 0.283 255 T C 1.149 175.848 174.700 -0.002 0.000 1.012 255 T CA 0.103 62.224 62.100 0.036 0.000 0.997 255 T CB 1.471 70.430 68.868 0.152 0.000 1.136 255 T HN 0.677 nan 8.240 nan 0.000 0.551 256 A N -0.366 122.410 122.820 -0.075 0.000 1.969 256 A HA 0.060 4.379 4.320 -0.002 0.000 0.218 256 A C 1.981 179.537 177.584 -0.047 0.000 1.169 256 A CA 1.041 53.020 52.037 -0.096 0.000 0.635 256 A CB -1.394 17.483 19.000 -0.204 0.000 0.810 256 A HN 0.895 nan 8.150 nan 0.000 0.445 257 Y N 0.642 120.984 120.300 0.070 0.000 2.145 257 Y HA -0.226 4.323 4.550 -0.002 0.000 0.286 257 Y C 2.326 178.287 175.900 0.101 0.000 1.145 257 Y CA 1.267 59.424 58.100 0.096 0.000 1.148 257 Y CB -0.271 38.223 38.460 0.057 0.000 0.981 257 Y HN 0.281 nan 8.280 nan 0.000 0.507 258 D N -0.476 120.038 120.400 0.190 0.000 2.117 258 D HA -0.147 4.492 4.640 -0.002 0.000 0.197 258 D C 2.383 178.672 176.300 -0.017 0.000 0.987 258 D CA 1.480 55.509 54.000 0.050 0.000 0.829 258 D CB -0.892 39.884 40.800 -0.041 0.000 0.961 258 D HN 0.446 nan 8.370 nan 0.000 0.460 259 G N -0.143 108.641 108.800 -0.027 0.000 2.440 259 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.218 259 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.218 259 G C 1.602 176.637 174.900 0.225 0.000 1.154 259 G CA 0.807 45.922 45.100 0.025 0.000 0.767 259 G HN 0.315 nan 8.290 nan 0.000 0.552 260 Y N 1.128 121.500 120.300 0.120 0.000 2.163 260 Y HA -0.085 4.464 4.550 -0.002 0.000 0.288 260 Y C 3.041 179.013 175.900 0.121 0.000 1.136 260 Y CA 2.121 60.295 58.100 0.123 0.000 1.147 260 Y CB -0.406 38.111 38.460 0.095 0.000 0.987 260 Y HN 0.293 nan 8.280 nan 0.000 0.509 261 Q N -0.299 119.488 119.800 -0.023 0.000 2.077 261 Q HA -0.234 4.105 4.340 -0.002 0.000 0.206 261 Q C 2.208 178.141 176.000 -0.112 0.000 0.989 261 Q CA 2.081 57.830 55.803 -0.090 0.000 0.853 261 Q CB -0.490 28.287 28.738 0.065 0.000 0.907 261 Q HN 0.503 nan 8.270 nan 0.000 0.418 262 L N 0.432 121.632 121.223 -0.038 0.000 2.046 262 L HA -0.130 4.209 4.340 -0.002 0.000 0.208 262 L C 2.134 179.064 176.870 0.099 0.000 1.077 262 L CA 2.056 56.901 54.840 0.009 0.000 0.747 262 L CB -0.833 41.191 42.059 -0.059 0.000 0.896 262 L HN 0.165 nan 8.230 nan 0.000 0.432 263 A N -1.099 121.786 122.820 0.109 0.000 1.877 263 A HA -0.265 4.054 4.320 -0.002 0.000 0.216 263 A C 2.268 179.824 177.584 -0.046 0.000 1.186 263 A CA 1.717 53.811 52.037 0.095 0.000 0.620 263 A CB -0.838 18.207 19.000 0.076 0.000 0.822 263 A HN 0.597 nan 8.150 nan 0.000 0.443 264 Q N 0.033 119.681 119.800 -0.253 0.000 2.181 264 Q HA -0.238 4.101 4.340 -0.002 0.000 0.205 264 Q C 1.852 177.794 176.000 -0.096 0.000 0.980 264 Q CA 2.148 57.795 55.803 -0.261 0.000 0.862 264 Q CB -0.335 28.075 28.738 -0.547 0.000 0.905 264 Q HN 0.810 nan 8.270 nan 0.000 0.429 265 Q N -1.379 118.389 119.800 -0.054 0.000 2.436 265 Q HA 0.025 4.364 4.340 -0.002 0.000 0.209 265 Q C 0.814 176.837 176.000 0.038 0.000 0.965 265 Q CA 0.694 56.500 55.803 0.005 0.000 0.910 265 Q CB 0.264 29.015 28.738 0.022 0.000 0.980 265 Q HN 0.648 nan 8.270 nan 0.000 0.491 266 G N 0.350 109.180 108.800 0.051 0.000 2.175 266 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.182 266 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.182 266 G C -0.254 174.692 174.900 0.075 0.000 1.003 266 G CA -0.468 44.661 45.100 0.048 0.000 0.666 266 G HN 0.328 nan 8.290 nan 0.000 0.506 267 F N 2.460 122.411 119.950 0.001 0.000 2.529 267 F HA 0.585 5.111 4.527 -0.002 0.000 0.365 267 F C 0.512 176.306 175.800 -0.010 0.000 1.102 267 F CA 1.056 59.065 58.000 0.016 0.000 1.271 267 F CB 1.375 40.415 39.000 0.068 0.000 1.120 267 F HN 0.089 nan 8.300 nan 0.000 0.579 268 T N 4.491 118.478 114.554 -0.944 0.000 2.881 268 T HA 0.714 5.063 4.350 -0.002 0.000 0.290 268 T C -0.226 173.865 174.700 -1.014 0.000 1.000 268 T CA 0.253 61.929 62.100 -0.706 0.000 0.978 268 T CB 0.825 69.493 68.868 -0.334 0.000 0.997 268 T HN 1.223 nan 8.240 nan 0.000 0.443 269 G N 2.768 111.202 108.800 -0.610 0.000 2.451 269 G HA2 0.546 4.505 3.960 -0.002 0.000 0.083 269 G HA3 0.546 4.505 3.960 -0.002 0.000 0.083 269 G C -1.033 173.823 174.900 -0.074 0.000 1.107 269 G CA 0.125 45.016 45.100 -0.348 0.000 1.117 269 G HN 1.362 nan 8.290 nan 0.000 0.454 270 A N -1.393 121.460 122.820 0.056 0.000 2.556 270 A HA 0.815 5.134 4.320 -0.002 0.000 0.294 270 A C -1.936 175.781 177.584 0.222 0.000 1.091 270 A CA -0.525 51.545 52.037 0.054 0.000 0.704 270 A CB 1.454 20.393 19.000 -0.101 0.000 1.300 270 A HN 1.075 nan 8.150 nan 0.000 0.406 271 Y N -0.009 120.346 120.300 0.092 0.000 2.377 271 Y HA 0.621 5.170 4.550 -0.002 0.000 0.339 271 Y C 0.636 176.555 175.900 0.032 0.000 1.011 271 Y CA -1.416 56.700 58.100 0.027 0.000 1.093 271 Y CB 1.900 40.375 38.460 0.024 0.000 1.201 271 Y HN 0.815 nan 8.280 nan 0.000 0.455 272 A N 5.571 128.498 122.820 0.179 0.000 2.650 272 A HA 0.489 4.808 4.320 -0.002 0.000 0.320 272 A C -0.293 177.332 177.584 0.067 0.000 1.466 272 A CA -0.497 51.656 52.037 0.193 0.000 1.099 272 A CB -0.980 18.126 19.000 0.176 0.000 1.136 272 A HN 0.765 nan 8.150 nan 0.000 0.532 273 L N 2.118 123.320 121.223 -0.036 0.000 2.416 273 L HA 0.295 4.634 4.340 -0.002 0.000 0.272 273 L C 0.364 177.268 176.870 0.056 0.000 1.161 273 L CA 0.393 55.202 54.840 -0.052 0.000 0.845 273 L CB 0.477 42.393 42.059 -0.238 0.000 1.119 273 L HN 0.582 nan 8.230 nan 0.000 0.464 274 K N 3.304 123.829 120.400 0.208 0.000 2.553 274 K HA 0.254 4.573 4.320 -0.002 0.000 0.250 274 K C 0.752 177.429 176.600 0.129 0.000 0.953 274 K CA -0.562 55.861 56.287 0.226 0.000 0.800 274 K CB 2.406 34.934 32.500 0.047 0.000 1.243 274 K HN 0.582 nan 8.250 nan 0.000 0.435 275 I N -0.526 120.081 120.570 0.062 0.000 2.361 275 I HA -0.181 3.988 4.170 -0.002 0.000 0.251 275 I C 1.819 177.831 176.117 -0.177 0.000 1.133 275 I CA 1.511 62.763 61.300 -0.080 0.000 1.413 275 I CB -0.170 37.715 38.000 -0.191 0.000 1.073 275 I HN 0.583 nan 8.210 nan 0.000 0.424 276 A N 1.815 124.439 122.820 -0.327 0.000 1.930 276 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 276 A C 2.394 179.610 177.584 -0.614 0.000 1.175 276 A CA 1.652 53.254 52.037 -0.725 0.000 0.627 276 A CB -0.487 17.703 19.000 -1.350 0.000 0.815 276 A HN 0.498 nan 8.150 nan 0.000 0.443 277 K N -0.616 119.595 120.400 -0.315 0.000 2.155 277 K HA 0.065 4.384 4.320 -0.002 0.000 0.203 277 K C 2.069 178.660 176.600 -0.016 0.000 1.052 277 K CA 0.989 57.228 56.287 -0.080 0.000 0.948 277 K CB -0.144 32.345 32.500 -0.019 0.000 0.728 277 K HN 0.436 nan 8.250 nan 0.000 0.448 278 A N 0.065 122.869 122.820 -0.027 0.000 2.044 278 A HA 0.218 4.537 4.320 -0.002 0.000 0.213 278 A C 1.387 178.975 177.584 0.006 0.000 1.169 278 A CA 1.033 53.074 52.037 0.007 0.000 0.724 278 A CB 0.225 19.240 19.000 0.024 0.000 0.840 278 A HN 0.371 nan 8.150 nan 0.000 0.463 279 G N -2.749 106.037 108.800 -0.023 0.000 2.148 279 G HA2 0.446 4.405 3.960 -0.002 0.000 0.157 279 G HA3 0.446 4.405 3.960 -0.002 0.000 0.157 279 G C 0.842 175.726 174.900 -0.027 0.000 1.012 279 G CA 0.201 45.295 45.100 -0.010 0.000 0.677 279 G HN 2.267 nan 8.290 nan 0.000 0.506 280 G N -1.486 107.281 108.800 -0.056 0.000 2.340 280 G HA2 0.438 4.397 3.960 -0.002 0.000 0.527 280 G HA3 0.438 4.397 3.960 -0.002 0.000 0.527 280 G C -1.647 173.204 174.900 -0.081 0.000 1.381 280 G CA 0.183 45.242 45.100 -0.069 0.000 1.001 280 G HN 0.242 nan 8.290 nan 0.000 0.626 281 P HA -0.080 nan 4.420 nan 0.000 0.218 281 P C 1.481 178.740 177.300 -0.069 0.000 1.148 281 P CA 1.581 64.595 63.100 -0.143 0.000 0.822 281 P CB 0.160 31.768 31.700 -0.152 0.000 0.784 282 N N -1.404 117.269 118.700 -0.045 0.000 2.278 282 N HA -0.057 4.682 4.740 -0.002 0.000 0.181 282 N C 1.642 177.151 175.510 -0.002 0.000 1.023 282 N CA 0.747 53.786 53.050 -0.018 0.000 0.862 282 N CB -0.045 38.430 38.487 -0.021 0.000 1.003 282 N HN -0.083 nan 8.380 nan 0.000 0.431 283 S N 0.539 116.236 115.700 -0.006 0.000 2.383 283 S HA -0.107 4.362 4.470 -0.002 0.000 0.229 283 S C 1.876 176.487 174.600 0.019 0.000 1.030 283 S CA 0.729 58.930 58.200 0.002 0.000 1.002 283 S CB -0.340 62.861 63.200 -0.000 0.000 0.829 283 S HN 0.281 nan 8.310 nan 0.000 0.467 284 V N 2.001 121.939 119.914 0.039 0.000 2.759 284 V HA -0.047 4.072 4.120 -0.002 0.000 0.256 284 V C 1.664 177.831 176.094 0.120 0.000 1.080 284 V CA 1.196 63.554 62.300 0.098 0.000 1.101 284 V CB -0.498 31.434 31.823 0.180 0.000 0.698 284 V HN 0.476 nan 8.190 nan 0.000 0.477 285 L N 0.032 121.311 121.223 0.094 0.000 2.191 285 L HA -0.084 4.255 4.340 -0.002 0.000 0.212 285 L C 2.732 179.641 176.870 0.064 0.000 1.103 285 L CA 1.326 56.222 54.840 0.093 0.000 0.769 285 L CB -0.869 41.230 42.059 0.067 0.000 0.908 285 L HN 0.427 nan 8.230 nan 0.000 0.438 286 A N 0.171 123.011 122.820 0.034 0.000 1.898 286 A HA -0.182 4.137 4.320 -0.002 0.000 0.216 286 A C 2.318 179.918 177.584 0.026 0.000 1.181 286 A CA 1.257 53.298 52.037 0.006 0.000 0.620 286 A CB -0.604 18.370 19.000 -0.043 0.000 0.819 286 A HN 0.367 nan 8.150 nan 0.000 0.442 287 L N -0.689 120.560 121.223 0.043 0.000 2.046 287 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 287 L C 2.894 179.848 176.870 0.140 0.000 1.077 287 L CA 1.522 56.412 54.840 0.083 0.000 0.747 287 L CB -0.516 41.589 42.059 0.076 0.000 0.896 287 L HN 0.442 nan 8.230 nan 0.000 0.432 288 A N -0.111 122.785 122.820 0.127 0.000 1.908 288 A HA -0.276 4.043 4.320 -0.002 0.000 0.218 288 A C 2.201 179.844 177.584 0.098 0.000 1.181 288 A CA 1.807 53.918 52.037 0.124 0.000 0.627 288 A CB -0.491 18.582 19.000 0.122 0.000 0.818 288 A HN 0.356 nan 8.150 nan 0.000 0.445 289 R N -0.632 119.917 120.500 0.081 0.000 2.081 289 R HA -0.050 4.289 4.340 -0.002 0.000 0.235 289 R C 2.015 178.359 176.300 0.072 0.000 1.131 289 R CA 1.463 57.601 56.100 0.062 0.000 0.960 289 R CB -0.877 29.450 30.300 0.045 0.000 0.856 289 R HN 0.357 nan 8.270 nan 0.000 0.436 290 V N 0.403 120.373 119.914 0.093 0.000 2.295 290 V HA -0.236 3.883 4.120 -0.002 0.000 0.246 290 V C 2.266 178.442 176.094 0.136 0.000 1.049 290 V CA 1.939 64.316 62.300 0.128 0.000 1.024 290 V CB -0.863 31.057 31.823 0.163 0.000 0.648 290 V HN 0.444 nan 8.190 nan 0.000 0.447 291 A N -0.697 122.209 122.820 0.143 0.000 1.883 291 A HA -0.308 4.011 4.320 -0.002 0.000 0.217 291 A C 2.183 179.768 177.584 0.003 0.000 1.186 291 A CA 2.099 54.162 52.037 0.045 0.000 0.624 291 A CB -0.529 18.493 19.000 0.037 0.000 0.822 291 A HN 0.632 nan 8.150 nan 0.000 0.444 292 Q N -0.786 119.033 119.800 0.032 0.000 2.084 292 Q HA -0.097 4.242 4.340 -0.002 0.000 0.202 292 Q C 2.386 178.400 176.000 0.024 0.000 0.978 292 Q CA 1.319 57.135 55.803 0.021 0.000 0.844 292 Q CB -0.392 28.365 28.738 0.030 0.000 0.898 292 Q HN 0.691 nan 8.270 nan 0.000 0.426 293 A N 0.882 123.727 122.820 0.043 0.000 1.972 293 A HA -0.043 4.276 4.320 -0.002 0.000 0.219 293 A C 2.073 179.685 177.584 0.047 0.000 1.169 293 A CA 1.506 53.572 52.037 0.048 0.000 0.635 293 A CB -0.381 18.659 19.000 0.066 0.000 0.810 293 A HN 0.362 nan 8.150 nan 0.000 0.446 294 A N -1.982 120.865 122.820 0.045 0.000 2.275 294 A HA 0.445 4.764 4.320 -0.002 0.000 0.212 294 A C 1.633 179.213 177.584 -0.006 0.000 1.201 294 A CA 1.038 53.093 52.037 0.031 0.000 0.843 294 A CB -0.769 18.258 19.000 0.045 0.000 0.873 294 A HN 1.838 nan 8.150 nan 0.000 0.492 295 G N -0.583 108.208 108.800 -0.014 0.000 2.147 295 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.244 295 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.244 295 G C 0.021 174.888 174.900 -0.055 0.000 1.005 295 G CA 0.331 45.414 45.100 -0.027 0.000 0.713 295 G HN 0.459 nan 8.290 nan 0.000 0.515 296 I N 1.480 121.993 120.570 -0.094 0.000 2.353 296 I HA 0.498 4.666 4.170 -0.002 0.000 0.293 296 I C 1.431 177.491 176.117 -0.095 0.000 0.992 296 I CA -0.230 60.967 61.300 -0.171 0.000 1.268 296 I CB 1.317 39.051 38.000 -0.443 0.000 1.387 296 I HN 0.156 nan 8.210 nan 0.000 0.478 297 G N 6.585 115.392 108.800 0.011 0.000 2.636 297 G HA2 0.456 4.415 3.960 -0.002 0.000 0.246 297 G HA3 0.456 4.415 3.960 -0.002 0.000 0.246 297 G C -0.512 174.485 174.900 0.162 0.000 1.216 297 G CA -0.468 44.721 45.100 0.149 0.000 0.854 297 G HN 0.468 nan 8.290 nan 0.000 0.572 298 L N -0.164 121.185 121.223 0.210 0.000 2.342 298 L HA 0.530 4.869 4.340 -0.002 0.000 0.271 298 L C -1.094 175.931 176.870 0.259 0.000 1.008 298 L CA -1.044 53.895 54.840 0.165 0.000 0.818 298 L CB 2.277 44.367 42.059 0.051 0.000 1.296 298 L HN 0.572 nan 8.230 nan 0.000 0.427 299 Y N 0.373 120.644 120.300 -0.048 0.000 2.433 299 Y HA 0.582 5.131 4.550 -0.002 0.000 0.337 299 Y C 0.099 175.737 175.900 -0.437 0.000 1.026 299 Y CA -0.962 57.073 58.100 -0.108 0.000 1.037 299 Y CB 2.172 40.618 38.460 -0.024 0.000 1.245 299 Y HN 0.540 nan 8.280 nan 0.000 0.443 300 G N 3.663 111.846 108.800 -1.029 0.000 2.519 300 G HA2 0.443 4.402 3.960 -0.002 0.000 0.306 300 G HA3 0.443 4.402 3.960 -0.002 0.000 0.306 300 G C 0.197 174.519 174.900 -0.962 0.000 0.965 300 G CA 0.077 44.203 45.100 -1.624 0.000 1.291 300 G HN 0.970 nan 8.290 nan 0.000 0.450 301 G N 0.511 108.991 108.800 -0.533 0.000 2.504 301 G HA2 0.553 4.512 3.960 -0.002 0.000 0.288 301 G HA3 0.553 4.512 3.960 -0.002 0.000 0.288 301 G C -0.368 174.562 174.900 0.049 0.000 1.182 301 G CA -0.193 44.809 45.100 -0.165 0.000 0.894 301 G HN 0.662 nan 8.290 nan 0.000 0.521 302 T N -0.302 114.231 114.554 -0.036 0.000 2.896 302 T HA 0.473 4.822 4.350 -0.002 0.000 0.297 302 T C 0.219 174.873 174.700 -0.076 0.000 1.108 302 T CA -0.703 61.357 62.100 -0.068 0.000 1.004 302 T CB 1.415 70.156 68.868 -0.211 0.000 1.159 302 T HN 0.204 nan 8.240 nan 0.000 0.499 303 M N 3.282 122.839 119.600 -0.071 0.000 2.589 303 M HA 0.398 4.877 4.480 -0.002 0.000 0.344 303 M C 0.213 176.479 176.300 -0.056 0.000 1.168 303 M CA 0.109 55.391 55.300 -0.031 0.000 0.956 303 M CB -0.737 31.885 32.600 0.038 0.000 1.370 303 M HN 0.685 nan 8.290 nan 0.000 0.518 304 L N 0.688 121.839 121.223 -0.121 0.000 3.512 304 L HA -0.240 4.099 4.340 -0.002 0.000 0.446 304 L C -0.315 176.519 176.870 -0.061 0.000 1.290 304 L CA 0.178 54.944 54.840 -0.123 0.000 0.871 304 L CB -1.738 40.269 42.059 -0.088 0.000 1.767 304 L HN 0.300 nan 8.230 nan 0.000 0.855 305 E N 0.156 120.321 120.200 -0.058 0.000 2.392 305 E HA 0.447 4.796 4.350 -0.002 0.000 0.259 305 E C 1.020 177.614 176.600 -0.010 0.000 1.108 305 E CA 0.688 57.074 56.400 -0.025 0.000 0.916 305 E CB 0.532 30.212 29.700 -0.034 0.000 0.989 305 E HN 0.290 nan 8.360 nan 0.000 0.432 306 G N -0.058 108.743 108.800 0.003 0.000 2.489 306 G HA2 0.011 3.970 3.960 -0.002 0.000 0.271 306 G HA3 0.011 3.970 3.960 -0.002 0.000 0.271 306 G C 0.729 175.646 174.900 0.028 0.000 1.427 306 G CA -0.068 45.040 45.100 0.013 0.000 1.057 306 G HN 0.493 nan 8.290 nan 0.000 0.532 307 T N -0.362 114.216 114.554 0.039 0.000 2.720 307 T HA -0.156 4.193 4.350 -0.002 0.000 0.268 307 T C 2.567 177.278 174.700 0.019 0.000 1.037 307 T CA 1.474 63.603 62.100 0.048 0.000 1.144 307 T CB -0.279 68.618 68.868 0.048 0.000 0.864 307 T HN 0.147 nan 8.240 nan 0.000 0.444 308 V N 1.457 121.378 119.914 0.010 0.000 2.233 308 V HA -0.127 3.992 4.120 -0.002 0.000 0.247 308 V C 2.918 179.003 176.094 -0.015 0.000 1.050 308 V CA 2.135 64.437 62.300 0.003 0.000 1.010 308 V CB -1.429 30.399 31.823 0.009 0.000 0.637 308 V HN 0.589 nan 8.190 nan 0.000 0.444 309 G N -0.990 107.798 108.800 -0.019 0.000 2.432 309 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.219 309 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.219 309 G C 1.673 176.525 174.900 -0.080 0.000 1.135 309 G CA 1.464 46.533 45.100 -0.051 0.000 0.767 309 G HN 0.479 nan 8.290 nan 0.000 0.550 310 T N 0.178 114.703 114.554 -0.047 0.000 2.737 310 T HA -0.095 4.254 4.350 -0.002 0.000 0.265 310 T C 2.353 176.999 174.700 -0.091 0.000 1.038 310 T CA 1.153 63.224 62.100 -0.048 0.000 1.144 310 T CB -0.287 68.601 68.868 0.034 0.000 0.866 310 T HN 0.053 nan 8.240 nan 0.000 0.434 311 V N 1.313 121.189 119.914 -0.064 0.000 2.548 311 V HA -0.024 4.095 4.120 -0.002 0.000 0.249 311 V C 2.592 178.656 176.094 -0.050 0.000 1.055 311 V CA 1.609 63.858 62.300 -0.085 0.000 1.065 311 V CB -0.899 30.908 31.823 -0.027 0.000 0.681 311 V HN 0.500 nan 8.190 nan 0.000 0.462 312 A N -0.506 122.279 122.820 -0.058 0.000 1.883 312 A HA -0.199 4.120 4.320 -0.002 0.000 0.217 312 A C 2.459 179.882 177.584 -0.268 0.000 1.186 312 A CA 2.454 54.439 52.037 -0.087 0.000 0.624 312 A CB -0.897 18.035 19.000 -0.113 0.000 0.822 312 A HN 0.584 nan 8.150 nan 0.000 0.444 313 S N -0.257 115.183 115.700 -0.434 0.000 2.356 313 S HA -0.123 4.346 4.470 -0.002 0.000 0.223 313 S C 1.787 175.664 174.600 -1.204 0.000 1.032 313 S CA 1.377 58.999 58.200 -0.962 0.000 1.005 313 S CB -0.417 62.322 63.200 -0.770 0.000 0.867 313 S HN 0.339 nan 8.310 nan 0.000 0.449 314 L N 1.883 122.729 121.223 -0.629 0.000 2.042 314 L HA -0.129 4.210 4.340 -0.002 0.000 0.210 314 L C 2.269 178.956 176.870 -0.305 0.000 1.076 314 L CA 1.756 56.365 54.840 -0.385 0.000 0.749 314 L CB -1.330 40.568 42.059 -0.268 0.000 0.893 314 L HN 0.421 nan 8.230 nan 0.000 0.432 315 H N -1.212 117.710 119.070 -0.247 0.000 2.387 315 H HA -0.060 4.495 4.556 -0.002 0.000 0.299 315 H C 2.041 177.286 175.328 -0.138 0.000 1.090 315 H CA 1.471 57.425 56.048 -0.155 0.000 1.332 315 H CB 0.056 29.733 29.762 -0.143 0.000 1.386 315 H HN 0.369 nan 8.280 nan 0.000 0.516 316 A N 0.675 123.406 122.820 -0.148 0.000 1.873 316 A HA -0.146 4.173 4.320 -0.002 0.000 0.215 316 A C 2.403 180.093 177.584 0.178 0.000 1.186 316 A CA 0.949 52.931 52.037 -0.091 0.000 0.616 316 A CB -1.235 17.568 19.000 -0.329 0.000 0.823 316 A HN 0.508 nan 8.150 nan 0.000 0.442 317 W N 0.968 122.262 121.300 -0.010 0.000 2.363 317 W HA -0.201 4.458 4.660 -0.002 0.000 0.296 317 W C 2.813 179.321 176.519 -0.019 0.000 1.212 317 W CA 0.917 58.249 57.345 -0.021 0.000 1.260 317 W CB -0.251 29.180 29.460 -0.048 0.000 1.131 317 W HN 0.530 nan 8.180 nan 0.000 0.530 318 S N 0.096 115.908 115.700 0.187 0.000 2.442 318 S HA -0.214 4.255 4.470 -0.002 0.000 0.236 318 S C 1.591 176.243 174.600 0.087 0.000 1.007 318 S CA 1.671 59.927 58.200 0.094 0.000 0.965 318 S CB -1.137 62.075 63.200 0.020 0.000 0.773 318 S HN 0.314 nan 8.310 nan 0.000 0.504 319 T N -0.646 113.972 114.554 0.106 0.000 3.129 319 T HA 0.420 4.769 4.350 -0.002 0.000 0.251 319 T C 0.319 175.070 174.700 0.086 0.000 1.117 319 T CA -0.312 61.839 62.100 0.084 0.000 1.034 319 T CB -0.528 68.387 68.868 0.080 0.000 0.968 319 T HN 0.378 nan 8.240 nan 0.000 0.526 320 L N 1.568 122.856 121.223 0.108 0.000 2.341 320 L HA 0.560 4.899 4.340 -0.002 0.000 0.267 320 L C -2.589 174.313 176.870 0.053 0.000 1.009 320 L CA -2.903 51.988 54.840 0.085 0.000 0.819 320 L CB 2.217 44.341 42.059 0.109 0.000 1.323 320 L HN -0.182 nan 8.230 nan 0.000 0.425 321 P HA 0.216 nan 4.420 nan 0.000 0.286 321 P C -1.059 176.240 177.300 -0.003 0.000 1.321 321 P CA -0.070 63.033 63.100 0.006 0.000 0.790 321 P CB 0.562 32.260 31.700 -0.003 0.000 0.897 322 L N 3.925 125.141 121.223 -0.012 0.000 2.287 322 L HA 0.245 4.584 4.340 -0.002 0.000 0.280 322 L C 2.099 178.947 176.870 -0.037 0.000 1.055 322 L CA -0.331 54.499 54.840 -0.016 0.000 0.863 322 L CB 0.956 42.988 42.059 -0.046 0.000 1.245 322 L HN 0.412 nan 8.230 nan 0.000 0.432 323 Q N 2.615 122.366 119.800 -0.082 0.000 2.135 323 Q HA -0.184 4.155 4.340 -0.002 0.000 0.204 323 Q C 0.836 176.573 176.000 -0.439 0.000 0.981 323 Q CA 2.207 57.825 55.803 -0.308 0.000 0.856 323 Q CB 0.086 28.558 28.738 -0.444 0.000 0.902 323 Q HN 0.713 nan 8.270 nan 0.000 0.425 324 W N 0.220 121.560 121.300 0.067 0.000 3.316 324 W HA 0.375 5.034 4.660 -0.001 0.000 0.327 324 W C 1.023 177.679 176.519 0.229 0.000 1.232 324 W CA 0.248 57.673 57.345 0.133 0.000 1.805 324 W CB 0.183 29.714 29.460 0.118 0.000 1.090 324 W HN 0.443 nan 8.180 nan 0.000 0.654 325 G N 1.066 109.997 108.800 0.218 0.000 2.562 325 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.250 325 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.250 325 G C 0.013 174.885 174.900 -0.047 0.000 1.269 325 G CA 0.280 45.446 45.100 0.110 0.000 0.919 325 G HN 0.440 nan 8.290 nan 0.000 0.574 326 T N -2.682 111.819 114.554 -0.089 0.000 2.841 326 T HA 0.717 5.066 4.350 -0.002 0.000 0.296 326 T C 0.018 174.638 174.700 -0.132 0.000 1.166 326 T CA 0.461 62.370 62.100 -0.319 0.000 1.007 326 T CB 2.053 70.859 68.868 -0.104 0.000 1.253 326 T HN 1.524 nan 8.240 nan 0.000 0.511 327 E N 1.203 121.276 120.200 -0.212 0.000 2.989 327 E HA 0.240 4.589 4.350 -0.002 0.000 0.207 327 E C -0.028 176.419 176.600 -0.254 0.000 0.989 327 E CA -0.801 55.588 56.400 -0.018 0.000 1.186 327 E CB 0.138 29.847 29.700 0.015 0.000 1.141 327 E HN 0.360 nan 8.360 nan 0.000 0.454 328 M N 1.788 121.373 119.600 -0.025 0.000 3.742 328 M HA 0.170 4.649 4.480 -0.002 0.000 0.197 328 M C -0.179 176.203 176.300 0.135 0.000 1.417 328 M CA -0.208 55.096 55.300 0.007 0.000 1.653 328 M CB -1.607 31.087 32.600 0.157 0.000 1.079 328 M HN 0.356 nan 8.290 nan 0.000 0.558 329 F N -2.491 117.531 119.950 0.120 0.000 2.695 329 F HA 0.492 5.018 4.527 -0.002 0.000 0.303 329 F C 1.488 177.276 175.800 -0.019 0.000 1.091 329 F CA -0.596 57.413 58.000 0.016 0.000 1.300 329 F CB -1.281 37.784 39.000 0.109 0.000 1.071 329 F HN 0.287 nan 8.300 nan 0.000 0.578 330 G N 2.305 111.027 108.800 -0.130 0.000 2.556 330 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.220 330 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.220 330 G C -0.614 174.329 174.900 0.071 0.000 1.156 330 G CA 1.336 46.418 45.100 -0.031 0.000 0.766 330 G HN 0.327 nan 8.290 nan 0.000 0.583 331 P HA -0.022 nan 4.420 nan 0.000 0.218 331 P C 1.848 179.176 177.300 0.048 0.000 1.148 331 P CA 0.640 63.792 63.100 0.086 0.000 0.822 331 P CB -0.141 31.676 31.700 0.195 0.000 0.784 332 L N -1.642 119.575 121.223 -0.009 0.000 2.549 332 L HA -0.065 4.274 4.340 -0.002 0.000 0.229 332 L C 1.883 178.833 176.870 0.134 0.000 1.158 332 L CA 0.741 55.581 54.840 0.000 0.000 0.842 332 L CB -0.653 41.363 42.059 -0.072 0.000 0.952 332 L HN 0.040 nan 8.230 nan 0.000 0.452 333 L N -0.599 120.717 121.223 0.154 0.000 2.529 333 L HA 0.136 4.475 4.340 -0.002 0.000 0.223 333 L C 0.713 177.627 176.870 0.074 0.000 1.113 333 L CA -0.025 54.899 54.840 0.140 0.000 0.861 333 L CB 0.103 42.243 42.059 0.135 0.000 1.012 333 L HN 0.172 nan 8.230 nan 0.000 0.461 334 L N 0.062 121.315 121.223 0.050 0.000 2.357 334 L HA 0.188 4.527 4.340 -0.002 0.000 0.273 334 L C 1.167 178.044 176.870 0.013 0.000 1.080 334 L CA -0.060 54.788 54.840 0.013 0.000 0.803 334 L CB 1.404 43.456 42.059 -0.012 0.000 1.174 334 L HN -0.043 nan 8.230 nan 0.000 0.443 335 K N 0.131 120.532 120.400 0.001 0.000 2.361 335 K HA 0.039 4.358 4.320 -0.002 0.000 0.196 335 K C -0.266 176.344 176.600 0.017 0.000 1.039 335 K CA 0.549 56.848 56.287 0.020 0.000 1.001 335 K CB 0.440 32.962 32.500 0.037 0.000 0.795 335 K HN 0.618 nan 8.250 nan 0.000 0.495 336 D N -0.956 119.423 120.400 -0.036 0.000 2.648 336 D HA 0.217 4.856 4.640 -0.002 0.000 0.244 336 D C -1.865 174.354 176.300 -0.135 0.000 1.244 336 D CA -0.536 53.439 54.000 -0.042 0.000 0.772 336 D CB 1.782 42.602 40.800 0.032 0.000 1.379 336 D HN -0.092 nan 8.370 nan 0.000 0.428 337 D N -0.213 120.144 120.400 -0.071 0.000 2.714 337 D HA 0.368 5.007 4.640 -0.002 0.000 0.278 337 D C 0.282 176.570 176.300 -0.021 0.000 1.102 337 D CA -0.418 53.537 54.000 -0.074 0.000 1.108 337 D CB 1.409 42.200 40.800 -0.014 0.000 1.444 337 D HN 0.305 nan 8.370 nan 0.000 0.568 338 I N -0.589 119.973 120.570 -0.015 0.000 3.914 338 I HA 0.242 4.411 4.170 -0.002 0.000 0.333 338 I C 0.171 176.277 176.117 -0.019 0.000 1.449 338 I CA -0.546 60.757 61.300 0.004 0.000 1.135 338 I CB -0.039 37.945 38.000 -0.027 0.000 1.073 338 I HN 0.091 nan 8.210 nan 0.000 0.401 339 V N -1.475 118.437 119.914 -0.004 0.000 2.732 339 V HA 0.662 4.781 4.120 -0.002 0.000 0.310 339 V C 1.404 177.498 176.094 -0.000 0.000 1.053 339 V CA 0.134 62.430 62.300 -0.007 0.000 0.957 339 V CB 1.308 33.133 31.823 0.003 0.000 1.018 339 V HN 0.307 nan 8.190 nan 0.000 0.452 340 S N 2.165 117.861 115.700 -0.007 0.000 2.387 340 S HA 0.067 4.536 4.470 -0.002 0.000 0.226 340 S C 0.615 175.218 174.600 0.004 0.000 1.026 340 S CA 0.885 59.083 58.200 -0.004 0.000 0.972 340 S CB -0.246 62.949 63.200 -0.009 0.000 0.814 340 S HN 0.987 nan 8.310 nan 0.000 0.477 341 V N 3.980 123.898 119.914 0.006 0.000 2.525 341 V HA 0.495 4.614 4.120 -0.002 0.000 0.299 341 V C -2.380 173.724 176.094 0.018 0.000 1.034 341 V CA -1.952 60.354 62.300 0.011 0.000 0.863 341 V CB 1.864 33.690 31.823 0.004 0.000 0.999 341 V HN 0.298 nan 8.190 nan 0.000 0.423 342 P HA 0.383 nan 4.420 nan 0.000 0.276 342 P C -0.479 176.844 177.300 0.038 0.000 1.261 342 P CA -0.442 62.691 63.100 0.056 0.000 0.800 342 P CB 1.271 33.024 31.700 0.088 0.000 1.066 343 L N 0.451 121.697 121.223 0.038 0.000 2.464 343 L HA 0.235 4.574 4.340 -0.002 0.000 0.264 343 L C 1.230 178.047 176.870 -0.087 0.000 1.199 343 L CA -0.219 54.565 54.840 -0.093 0.000 0.818 343 L CB 0.087 41.995 42.059 -0.253 0.000 1.102 343 L HN 0.483 nan 8.230 nan 0.000 0.473 344 T N -1.135 113.310 114.554 -0.180 0.000 2.767 344 T HA 0.548 4.897 4.350 -0.002 0.000 0.288 344 T C -0.633 173.936 174.700 -0.219 0.000 0.963 344 T CA -0.484 61.561 62.100 -0.091 0.000 1.019 344 T CB 0.314 69.146 68.868 -0.060 0.000 0.923 344 T HN 0.164 nan 8.240 nan 0.000 0.468 345 F N 1.935 121.891 119.950 0.011 0.000 2.480 345 F HA 0.769 5.295 4.527 -0.002 0.000 0.329 345 F C 0.501 176.302 175.800 0.002 0.000 1.091 345 F CA -0.523 57.487 58.000 0.017 0.000 0.972 345 F CB 2.096 41.118 39.000 0.035 0.000 1.150 345 F HN 1.051 nan 8.300 nan 0.000 0.467 346 A N 2.013 124.934 122.820 0.168 0.000 2.590 346 A HA 0.473 4.792 4.320 -0.002 0.000 0.296 346 A C -0.653 176.969 177.584 0.063 0.000 1.050 346 A CA -0.832 51.258 52.037 0.088 0.000 0.697 346 A CB 0.707 19.735 19.000 0.046 0.000 1.277 346 A HN 0.791 nan 8.150 nan 0.000 0.411 347 D N 0.731 121.154 120.400 0.039 0.000 2.704 347 D HA 0.048 4.687 4.640 -0.002 0.000 0.232 347 D C 1.252 177.571 176.300 0.032 0.000 1.183 347 D CA 2.912 56.926 54.000 0.024 0.000 0.647 347 D CB -0.925 39.884 40.800 0.015 0.000 1.013 347 D HN 2.481 nan 8.370 nan 0.000 0.415 348 G N 0.072 108.899 108.800 0.046 0.000 2.258 348 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.274 348 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.274 348 G C 0.182 175.138 174.900 0.093 0.000 1.021 348 G CA 0.960 46.094 45.100 0.057 0.000 0.798 348 G HN 0.674 nan 8.290 nan 0.000 0.507 349 Q N -2.116 117.753 119.800 0.115 0.000 2.553 349 Q HA 0.750 5.089 4.340 -0.002 0.000 0.293 349 Q C -1.117 174.929 176.000 0.076 0.000 1.038 349 Q CA -0.934 54.924 55.803 0.091 0.000 0.777 349 Q CB 3.002 31.759 28.738 0.032 0.000 1.487 349 Q HN 0.526 nan 8.270 nan 0.000 0.426 350 V N 0.046 119.935 119.914 -0.042 0.000 2.789 350 V HA 0.843 4.962 4.120 -0.002 0.000 0.311 350 V C -1.452 174.502 176.094 -0.234 0.000 1.073 350 V CA -0.497 61.620 62.300 -0.305 0.000 0.921 350 V CB 1.776 33.278 31.823 -0.534 0.000 1.009 350 V HN 0.884 nan 8.190 nan 0.000 0.426 351 A N 5.910 128.571 122.820 -0.265 0.000 2.328 351 A HA 0.689 5.008 4.320 -0.002 0.000 0.284 351 A C -0.682 176.779 177.584 -0.205 0.000 1.160 351 A CA -0.355 51.574 52.037 -0.180 0.000 0.818 351 A CB 0.713 19.630 19.000 -0.138 0.000 1.087 351 A HN 1.136 nan 8.150 nan 0.000 0.504 352 L N 5.194 126.312 121.223 -0.176 0.000 2.281 352 L HA 0.492 4.831 4.340 -0.002 0.000 0.285 352 L C -2.275 174.495 176.870 -0.167 0.000 1.074 352 L CA -1.627 53.076 54.840 -0.229 0.000 0.817 352 L CB 0.676 42.587 42.059 -0.245 0.000 1.168 352 L HN 0.395 nan 8.230 nan 0.000 0.434 353 P HA 0.126 nan 4.420 nan 0.000 0.269 353 P C -0.737 176.577 177.300 0.024 0.000 1.209 353 P CA -0.056 63.019 63.100 -0.043 0.000 0.776 353 P CB 0.478 32.178 31.700 0.000 0.000 0.876 354 Q N 0.129 119.947 119.800 0.029 0.000 2.110 354 Q HA 0.127 4.466 4.340 -0.002 0.000 0.232 354 Q C 0.194 176.216 176.000 0.036 0.000 0.810 354 Q CA 0.139 55.972 55.803 0.050 0.000 1.083 354 Q CB 0.273 29.023 28.738 0.020 0.000 1.193 354 Q HN 0.562 nan 8.270 nan 0.000 0.471 355 T N -2.080 112.493 114.554 0.033 0.000 2.862 355 T HA 0.520 4.869 4.350 -0.002 0.000 0.276 355 T C -2.559 172.144 174.700 0.005 0.000 0.974 355 T CA -2.072 60.036 62.100 0.013 0.000 0.966 355 T CB 0.974 69.846 68.868 0.008 0.000 1.072 355 T HN -0.162 nan 8.240 nan 0.000 0.538 356 P HA 0.300 nan 4.420 nan 0.000 0.261 356 P C 1.009 178.283 177.300 -0.044 0.000 1.173 356 P CA 1.659 64.743 63.100 -0.025 0.000 0.760 356 P CB -0.246 31.442 31.700 -0.020 0.000 0.783 357 G N 2.286 111.037 108.800 -0.082 0.000 2.525 357 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.248 357 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.248 357 G C 0.756 175.535 174.900 -0.202 0.000 1.238 357 G CA 0.012 45.036 45.100 -0.126 0.000 0.926 357 G HN 0.447 nan 8.290 nan 0.000 0.574 358 L N 1.397 122.529 121.223 -0.153 0.000 2.141 358 L HA 0.280 4.619 4.340 -0.002 0.000 0.209 358 L C 2.617 179.560 176.870 0.123 0.000 1.094 358 L CA 1.719 56.505 54.840 -0.091 0.000 0.763 358 L CB -0.600 41.444 42.059 -0.024 0.000 0.908 358 L HN 2.220 nan 8.230 nan 0.000 0.437 359 G N 0.028 108.853 108.800 0.043 0.000 2.159 359 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.227 359 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.227 359 G C 0.107 175.023 174.900 0.026 0.000 0.986 359 G CA 0.018 45.148 45.100 0.051 0.000 0.651 359 G HN 0.289 nan 8.290 nan 0.000 0.523 360 V N -2.758 117.167 119.914 0.019 0.000 2.962 360 V HA 0.960 5.078 4.120 -0.002 0.000 0.313 360 V C -0.528 175.565 176.094 -0.000 0.000 1.099 360 V CA -1.249 61.056 62.300 0.008 0.000 0.971 360 V CB 2.154 33.983 31.823 0.009 0.000 1.028 360 V HN 0.335 nan 8.190 nan 0.000 0.430 361 E N 1.650 121.847 120.200 -0.005 0.000 2.256 361 E HA 0.671 5.020 4.350 -0.002 0.000 0.267 361 E C -1.246 175.341 176.600 -0.022 0.000 0.892 361 E CA -0.855 55.538 56.400 -0.011 0.000 0.775 361 E CB 1.977 31.671 29.700 -0.011 0.000 1.207 361 E HN 0.895 nan 8.360 nan 0.000 0.420 362 L N 2.868 124.071 121.223 -0.035 0.000 2.380 362 L HA 0.249 4.588 4.340 -0.002 0.000 0.273 362 L C -0.512 176.312 176.870 -0.076 0.000 1.138 362 L CA 0.417 55.216 54.840 -0.067 0.000 0.832 362 L CB 0.871 42.872 42.059 -0.097 0.000 1.124 362 L HN 0.476 nan 8.230 nan 0.000 0.454 363 D N 3.165 123.514 120.400 -0.085 0.000 2.467 363 D HA 0.047 4.686 4.640 -0.002 0.000 0.220 363 D C 0.827 177.044 176.300 -0.139 0.000 1.103 363 D CA -0.169 53.787 54.000 -0.074 0.000 0.886 363 D CB 1.099 41.880 40.800 -0.033 0.000 1.025 363 D HN 0.684 nan 8.370 nan 0.000 0.514 364 E N 2.466 122.570 120.200 -0.160 0.000 2.114 364 E HA -0.220 4.129 4.350 -0.002 0.000 0.199 364 E C 0.868 177.307 176.600 -0.269 0.000 1.008 364 E CA 1.627 57.862 56.400 -0.275 0.000 0.810 364 E CB 0.294 29.927 29.700 -0.112 0.000 0.739 364 E HN 0.458 nan 8.360 nan 0.000 0.456 365 D N -0.212 120.144 120.400 -0.073 0.000 2.084 365 D HA -0.126 4.513 4.640 -0.002 0.000 0.194 365 D C 1.795 178.095 176.300 -0.000 0.000 0.990 365 D CA 1.160 55.164 54.000 0.006 0.000 0.826 365 D CB -0.154 40.640 40.800 -0.011 0.000 0.971 365 D HN 0.201 nan 8.370 nan 0.000 0.453 366 K N 0.061 120.457 120.400 -0.006 0.000 2.097 366 K HA -0.108 4.211 4.320 -0.002 0.000 0.206 366 K C 2.063 178.743 176.600 0.132 0.000 1.049 366 K CA 0.302 56.658 56.287 0.115 0.000 0.933 366 K CB -0.213 32.407 32.500 0.199 0.000 0.717 366 K HN 0.035 nan 8.250 nan 0.000 0.442 367 L N 1.339 122.505 121.223 -0.096 0.000 2.012 367 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 367 L C 2.170 178.900 176.870 -0.233 0.000 1.073 367 L CA 1.966 56.645 54.840 -0.269 0.000 0.748 367 L CB -0.616 41.067 42.059 -0.627 0.000 0.891 367 L HN 0.260 nan 8.230 nan 0.000 0.431 368 H N -1.748 117.269 119.070 -0.088 0.000 2.389 368 H HA -0.141 4.414 4.556 -0.002 0.000 0.299 368 H C 2.069 177.399 175.328 0.004 0.000 1.081 368 H CA 1.705 57.727 56.048 -0.044 0.000 1.345 368 H CB -0.607 29.146 29.762 -0.016 0.000 1.393 368 H HN 0.439 nan 8.280 nan 0.000 0.520 369 F N 0.936 120.854 119.950 -0.054 0.000 2.134 369 F HA -0.216 4.310 4.527 -0.002 0.000 0.299 369 F C 1.504 177.142 175.800 -0.269 0.000 1.097 369 F CA 1.164 59.031 58.000 -0.221 0.000 1.264 369 F CB -0.307 38.438 39.000 -0.424 0.000 1.001 369 F HN -0.012 nan 8.300 nan 0.000 0.479 370 Y N -0.012 120.297 120.300 0.015 0.000 2.466 370 Y HA 0.176 4.725 4.550 -0.002 0.000 0.272 370 Y C 1.120 176.992 175.900 -0.048 0.000 1.169 370 Y CA -0.143 57.917 58.100 -0.067 0.000 1.285 370 Y CB -1.113 37.366 38.460 0.032 0.000 1.078 370 Y HN -0.256 nan 8.280 nan 0.000 0.523 371 T N 0.875 115.483 114.554 0.090 0.000 2.932 371 T HA -0.011 4.338 4.350 -0.002 0.000 0.312 371 T C 1.506 176.256 174.700 0.083 0.000 1.071 371 T CA -0.139 62.031 62.100 0.118 0.000 1.128 371 T CB 1.125 70.091 68.868 0.162 0.000 0.984 371 T HN 0.350 nan 8.240 nan 0.000 0.549 372 R N 1.725 122.287 120.500 0.103 0.000 2.064 372 R HA 0.026 4.365 4.340 -0.002 0.000 0.228 372 R C 0.925 177.256 176.300 0.051 0.000 1.144 372 R CA 1.319 57.459 56.100 0.067 0.000 0.932 372 R CB 0.140 30.483 30.300 0.073 0.000 0.833 372 R HN 0.774 nan 8.270 nan 0.000 0.429 373 Q N 0.000 119.843 119.800 0.072 0.000 2.315 373 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 373 Q CA 0.000 55.837 55.803 0.056 0.000 1.022 373 Q CB 0.000 28.759 28.738 0.034 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481