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 2thi_1_A DATA FIRST_RESID 9 DATA SEQUENCE ITLKVAIYPY VPDPARFQAA VLDQWQRQEP GVKLEFTDWD SYSADPPDDL DATA SEQUENCE DVFVLDSIFL SHFVDAGYLL PFGSQDIDQA EDVLPFALQG AKRNGEVYGL DATA SEQUENCE PQILCTNLLF YRKGDLKIGQ VDNIYELYKK IGTSHSEQIP PPQNKGLLIN DATA SEQUENCE MAGGTTKASM YLEALIDVTG QYTEYDLLPP LDPLNDKVIR GLRLLINMAG DATA SEQUENCE EKPSQYVPED GDAYVRASWF AQGSGRAFIG YSESMMRMGD YAEQVRFKPI DATA SEQUENCE SSSAGQDIPL FYSDVVSVNS KTAHPELAKK LANVMASADT VEQALRPQAD DATA SEQUENCE GQYPQYLLPA RHQVYEALMQ DYPIYSELAQ IVNKPSNRVF RLGPEVRTWL DATA SEQUENCE KDAKQVLPEA LG 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 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.082 176.117 -0.058 0.000 1.063 9 I CA 0.000 61.255 61.300 -0.075 0.000 1.566 9 I CB 0.000 37.885 38.000 -0.191 0.000 1.214 10 T N 6.372 120.893 114.554 -0.056 0.000 2.841 10 T HA 0.606 4.956 4.350 -0.001 0.000 0.285 10 T C -0.507 174.152 174.700 -0.069 0.000 0.991 10 T CA -0.519 61.555 62.100 -0.044 0.000 0.966 10 T CB 1.580 70.434 68.868 -0.023 0.000 0.962 10 T HN 0.257 nan 8.240 nan 0.000 0.438 11 L N 3.429 124.587 121.223 -0.108 0.000 2.282 11 L HA 0.481 4.821 4.340 -0.001 0.000 0.288 11 L C 0.368 177.120 176.870 -0.196 0.000 1.033 11 L CA -0.873 53.880 54.840 -0.146 0.000 0.807 11 L CB 1.268 43.199 42.059 -0.214 0.000 1.209 11 L HN 0.400 nan 8.230 nan 0.000 0.423 12 K N 3.300 123.611 120.400 -0.149 0.000 2.258 12 K HA 0.519 4.839 4.320 -0.001 0.000 0.284 12 K C -0.805 175.683 176.600 -0.187 0.000 1.051 12 K CA -0.429 55.764 56.287 -0.156 0.000 0.923 12 K CB 1.721 34.166 32.500 -0.091 0.000 1.046 12 K HN 0.282 nan 8.250 nan 0.000 0.474 13 V N 0.847 120.599 119.914 -0.270 0.000 3.046 13 V HA 0.800 4.920 4.120 -0.001 0.000 0.316 13 V C -0.658 175.432 176.094 -0.007 0.000 1.104 13 V CA -1.174 60.989 62.300 -0.229 0.000 1.006 13 V CB 1.855 33.368 31.823 -0.516 0.000 1.058 13 V HN 0.854 nan 8.190 nan 0.000 0.440 14 A N 3.028 125.938 122.820 0.151 0.000 2.437 14 A HA 0.840 5.160 4.320 -0.001 0.000 0.293 14 A C -0.786 176.997 177.584 0.333 0.000 1.038 14 A CA -0.530 51.686 52.037 0.298 0.000 0.708 14 A CB 1.159 20.383 19.000 0.373 0.000 1.251 14 A HN 1.021 nan 8.150 nan 0.000 0.409 15 I N -0.932 119.820 120.570 0.303 0.000 2.783 15 I HA 0.596 4.766 4.170 -0.001 0.000 0.312 15 I C -0.132 176.089 176.117 0.174 0.000 0.988 15 I CA -0.992 60.441 61.300 0.223 0.000 1.182 15 I CB 0.920 39.016 38.000 0.159 0.000 1.368 15 I HN 0.642 nan 8.210 nan 0.000 0.511 16 Y N 5.256 125.537 120.300 -0.032 0.000 2.496 16 Y HA 0.253 4.802 4.550 -0.001 0.000 0.334 16 Y C -1.646 174.146 175.900 -0.180 0.000 1.080 16 Y CA -1.823 56.239 58.100 -0.063 0.000 1.355 16 Y CB 0.686 39.107 38.460 -0.065 0.000 1.193 16 Y HN 0.449 nan 8.280 nan 0.000 0.523 17 P HA -0.115 nan 4.420 nan 0.000 0.224 17 P C -0.319 176.537 177.300 -0.740 0.000 1.157 17 P CA 1.051 63.752 63.100 -0.665 0.000 0.799 17 P CB 0.150 31.382 31.700 -0.781 0.000 0.809 18 Y N 1.995 121.876 120.300 -0.698 0.000 2.851 18 Y HA 0.234 4.784 4.550 -0.001 0.000 0.369 18 Y C 1.066 176.959 175.900 -0.011 0.000 1.226 18 Y CA -0.649 57.235 58.100 -0.360 0.000 1.949 18 Y CB -0.888 37.322 38.460 -0.416 0.000 2.059 18 Y HN -0.152 nan 8.280 nan 0.000 0.420 19 V N -2.772 117.216 119.914 0.123 0.000 3.040 19 V HA 0.532 4.652 4.120 -0.001 0.000 0.312 19 V C -2.336 173.908 176.094 0.250 0.000 1.115 19 V CA -2.725 59.706 62.300 0.219 0.000 0.998 19 V CB 2.129 34.022 31.823 0.117 0.000 1.042 19 V HN -0.041 nan 8.190 nan 0.000 0.433 20 P HA -0.052 nan 4.420 nan 0.000 0.216 20 P C -0.066 177.307 177.300 0.121 0.000 1.153 20 P CA 1.853 65.000 63.100 0.080 0.000 0.858 20 P CB 0.142 31.774 31.700 -0.112 0.000 0.789 21 D N -3.131 117.355 120.400 0.143 0.000 2.336 21 D HA 0.170 4.809 4.640 -0.001 0.000 0.248 21 D C -2.253 174.162 176.300 0.191 0.000 1.326 21 D CA -2.187 51.888 54.000 0.125 0.000 0.973 21 D CB 0.710 41.559 40.800 0.080 0.000 1.255 21 D HN -0.170 nan 8.370 nan 0.000 0.558 22 P HA -0.066 nan 4.420 nan 0.000 0.215 22 P C 1.257 178.622 177.300 0.109 0.000 1.157 22 P CA 1.454 64.618 63.100 0.106 0.000 0.863 22 P CB 0.275 31.967 31.700 -0.013 0.000 0.787 23 A N -0.272 122.568 122.820 0.034 0.000 2.032 23 A HA -0.253 4.067 4.320 -0.001 0.000 0.221 23 A C 2.312 179.892 177.584 -0.007 0.000 1.165 23 A CA 1.567 53.592 52.037 -0.020 0.000 0.645 23 A CB -1.128 17.856 19.000 -0.027 0.000 0.807 23 A HN 0.054 nan 8.150 nan 0.000 0.453 24 R N -2.197 118.325 120.500 0.036 0.000 2.115 24 R HA -0.037 4.303 4.340 -0.001 0.000 0.226 24 R C 1.634 177.890 176.300 -0.073 0.000 1.100 24 R CA 1.235 57.315 56.100 -0.034 0.000 0.980 24 R CB -0.251 30.006 30.300 -0.072 0.000 0.875 24 R HN 0.590 nan 8.270 nan 0.000 0.445 25 F N 0.504 120.432 119.950 -0.036 0.000 2.098 25 F HA -0.146 4.380 4.527 -0.001 0.000 0.294 25 F C 2.761 178.538 175.800 -0.039 0.000 1.107 25 F CA 1.417 59.411 58.000 -0.011 0.000 1.234 25 F CB -0.473 38.541 39.000 0.024 0.000 1.002 25 F HN 0.035 nan 8.300 nan 0.000 0.472 26 Q N 0.495 120.330 119.800 0.057 0.000 2.077 26 Q HA -0.251 4.089 4.340 -0.001 0.000 0.206 26 Q C 2.287 178.197 176.000 -0.150 0.000 0.989 26 Q CA 1.934 57.580 55.803 -0.261 0.000 0.853 26 Q CB -0.326 28.065 28.738 -0.579 0.000 0.907 26 Q HN 0.383 nan 8.270 nan 0.000 0.418 27 A N 0.686 123.451 122.820 -0.091 0.000 1.902 27 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 27 A C 2.303 179.890 177.584 0.005 0.000 1.181 27 A CA 1.831 53.843 52.037 -0.042 0.000 0.623 27 A CB -1.095 17.878 19.000 -0.045 0.000 0.818 27 A HN 0.596 nan 8.150 nan 0.000 0.443 28 A N -0.671 122.144 122.820 -0.009 0.000 1.877 28 A HA -0.005 4.315 4.320 -0.001 0.000 0.216 28 A C 2.264 179.895 177.584 0.078 0.000 1.186 28 A CA 1.827 53.864 52.037 0.000 0.000 0.620 28 A CB -0.995 17.958 19.000 -0.078 0.000 0.822 28 A HN 0.382 nan 8.150 nan 0.000 0.443 29 V N -0.398 119.597 119.914 0.135 0.000 2.261 29 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 29 V C 2.502 178.754 176.094 0.263 0.000 1.047 29 V CA 2.043 64.471 62.300 0.213 0.000 1.015 29 V CB -0.744 31.257 31.823 0.297 0.000 0.642 29 V HN 0.572 nan 8.190 nan 0.000 0.446 30 L N 0.585 121.981 121.223 0.289 0.000 2.046 30 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 30 L C 2.110 179.130 176.870 0.250 0.000 1.077 30 L CA 2.540 57.567 54.840 0.312 0.000 0.747 30 L CB -0.843 41.384 42.059 0.280 0.000 0.896 30 L HN 0.498 nan 8.230 nan 0.000 0.432 31 D N -1.625 118.873 120.400 0.163 0.000 2.092 31 D HA -0.227 4.412 4.640 -0.001 0.000 0.193 31 D C 2.033 178.406 176.300 0.123 0.000 0.994 31 D CA 1.348 55.416 54.000 0.113 0.000 0.828 31 D CB 0.019 40.858 40.800 0.065 0.000 0.963 31 D HN 0.329 nan 8.370 nan 0.000 0.450 32 Q N -0.612 119.272 119.800 0.141 0.000 2.119 32 Q HA -0.139 4.200 4.340 -0.001 0.000 0.201 32 Q C 2.097 178.215 176.000 0.197 0.000 0.972 32 Q CA 0.741 56.626 55.803 0.136 0.000 0.847 32 Q CB -0.622 28.195 28.738 0.131 0.000 0.903 32 Q HN 0.623 nan 8.270 nan 0.000 0.433 33 W N 1.799 123.124 121.300 0.042 0.000 2.355 33 W HA -0.232 4.428 4.660 -0.000 0.000 0.309 33 W C 1.684 178.215 176.519 0.020 0.000 1.206 33 W CA 1.302 58.667 57.345 0.032 0.000 1.284 33 W CB 0.067 29.552 29.460 0.042 0.000 1.145 33 W HN 0.284 nan 8.180 nan 0.000 0.502 34 Q N 0.029 119.889 119.800 0.101 0.000 2.152 34 Q HA -0.253 4.086 4.340 -0.001 0.000 0.206 34 Q C 2.230 178.169 176.000 -0.102 0.000 0.985 34 Q CA 1.991 57.774 55.803 -0.033 0.000 0.863 34 Q CB -0.305 28.460 28.738 0.046 0.000 0.904 34 Q HN 0.369 nan 8.270 nan 0.000 0.422 35 R N 0.085 120.551 120.500 -0.058 0.000 2.096 35 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 35 R C 2.119 178.342 176.300 -0.128 0.000 1.127 35 R CA 1.382 57.442 56.100 -0.067 0.000 0.968 35 R CB -0.047 30.238 30.300 -0.025 0.000 0.861 35 R HN 0.384 nan 8.270 nan 0.000 0.440 36 Q N -0.374 119.305 119.800 -0.201 0.000 2.349 36 Q HA 0.048 4.388 4.340 -0.001 0.000 0.209 36 Q C 0.090 175.824 176.000 -0.444 0.000 0.920 36 Q CA 0.577 56.217 55.803 -0.271 0.000 0.901 36 Q CB 0.804 29.406 28.738 -0.226 0.000 1.021 36 Q HN 0.136 nan 8.270 nan 0.000 0.519 37 E N 0.674 120.432 120.200 -0.737 0.000 3.666 37 E HA 0.131 4.481 4.350 -0.001 0.000 0.230 37 E C -2.160 174.085 176.600 -0.592 0.000 1.235 37 E CA -1.284 54.630 56.400 -0.811 0.000 1.096 37 E CB 1.288 30.111 29.700 -1.462 0.000 1.287 37 E HN 0.150 nan 8.360 nan 0.000 0.406 38 P HA -0.107 nan 4.420 nan 0.000 0.222 38 P C 1.192 178.431 177.300 -0.102 0.000 1.147 38 P CA 0.797 63.798 63.100 -0.165 0.000 0.790 38 P CB 0.329 31.962 31.700 -0.111 0.000 0.780 39 G N -0.189 108.539 108.800 -0.119 0.000 2.712 39 G HA2 0.082 4.042 3.960 -0.001 0.000 0.212 39 G HA3 0.082 4.042 3.960 -0.001 0.000 0.212 39 G C 0.448 175.333 174.900 -0.024 0.000 1.142 39 G CA 0.090 45.153 45.100 -0.062 0.000 0.789 39 G HN 0.193 nan 8.290 nan 0.000 0.535 40 V N 1.064 120.977 119.914 -0.002 0.000 2.398 40 V HA 0.352 4.472 4.120 -0.001 0.000 0.286 40 V C -0.074 176.181 176.094 0.268 0.000 1.026 40 V CA -1.260 61.123 62.300 0.137 0.000 0.868 40 V CB 1.811 33.795 31.823 0.269 0.000 0.982 40 V HN 0.008 nan 8.190 nan 0.000 0.443 41 K N 5.076 125.564 120.400 0.147 0.000 2.227 41 K HA 0.505 4.825 4.320 -0.001 0.000 0.280 41 K C -1.010 175.611 176.600 0.035 0.000 1.041 41 K CA -0.400 55.955 56.287 0.113 0.000 0.905 41 K CB 1.053 33.586 32.500 0.054 0.000 1.068 41 K HN 0.586 nan 8.250 nan 0.000 0.470 42 L N 3.391 124.606 121.223 -0.012 0.000 2.289 42 L HA 0.332 4.672 4.340 -0.001 0.000 0.285 42 L C 0.265 177.005 176.870 -0.217 0.000 1.049 42 L CA -0.355 54.331 54.840 -0.258 0.000 0.804 42 L CB 1.204 42.987 42.059 -0.461 0.000 1.195 42 L HN 0.601 nan 8.230 nan 0.000 0.428 43 E N 3.269 123.298 120.200 -0.285 0.000 2.186 43 E HA 0.341 4.691 4.350 -0.001 0.000 0.255 43 E C -1.286 175.204 176.600 -0.183 0.000 0.881 43 E CA -0.657 55.666 56.400 -0.129 0.000 0.752 43 E CB 0.900 30.565 29.700 -0.059 0.000 1.176 43 E HN 0.272 nan 8.360 nan 0.000 0.421 44 F N 2.161 122.107 119.950 -0.006 0.000 2.443 44 F HA 0.234 4.761 4.527 -0.001 0.000 0.353 44 F C 0.796 176.606 175.800 0.016 0.000 1.101 44 F CA 0.253 58.257 58.000 0.006 0.000 1.226 44 F CB 1.278 40.286 39.000 0.014 0.000 1.140 44 F HN 0.212 nan 8.300 nan 0.000 0.557 45 T N 1.510 116.181 114.554 0.195 0.000 2.916 45 T HA 0.283 4.632 4.350 -0.001 0.000 0.292 45 T C -1.188 173.606 174.700 0.157 0.000 1.055 45 T CA -1.026 61.154 62.100 0.134 0.000 1.009 45 T CB 1.560 70.476 68.868 0.081 0.000 1.118 45 T HN 0.244 nan 8.240 nan 0.000 0.497 46 D N 1.158 121.628 120.400 0.116 0.000 2.295 46 D HA 0.366 5.006 4.640 -0.001 0.000 0.248 46 D C -1.103 175.298 176.300 0.168 0.000 1.154 46 D CA 0.112 54.167 54.000 0.092 0.000 0.857 46 D CB 0.927 41.744 40.800 0.029 0.000 1.117 46 D HN 0.485 nan 8.370 nan 0.000 0.468 47 W N 2.730 124.003 121.300 -0.045 0.000 3.405 47 W HA 0.219 4.879 4.660 -0.000 0.000 0.329 47 W C -1.870 174.620 176.519 -0.047 0.000 1.142 47 W CA -0.699 56.610 57.345 -0.060 0.000 1.235 47 W CB 1.380 30.793 29.460 -0.078 0.000 1.341 47 W HN 0.040 nan 8.180 nan 0.000 0.481 48 D N 2.608 122.445 120.400 -0.937 0.000 2.471 48 D HA 0.194 4.833 4.640 -0.001 0.000 0.245 48 D C 1.164 176.744 176.300 -1.201 0.000 1.116 48 D CA 0.181 53.696 54.000 -0.809 0.000 0.853 48 D CB 1.892 42.477 40.800 -0.358 0.000 1.123 48 D HN 0.309 nan 8.370 nan 0.000 0.540 49 S N 2.965 117.880 115.700 -1.308 0.000 2.419 49 S HA -0.232 4.237 4.470 -0.001 0.000 0.235 49 S C 1.692 175.744 174.600 -0.914 0.000 1.019 49 S CA 0.762 58.353 58.200 -1.015 0.000 0.982 49 S CB -0.554 62.427 63.200 -0.365 0.000 0.789 49 S HN 0.589 nan 8.310 nan 0.000 0.490 50 Y N 2.596 122.561 120.300 -0.559 0.000 2.421 50 Y HA -0.032 4.517 4.550 -0.001 0.000 0.292 50 Y C 2.903 178.626 175.900 -0.295 0.000 1.136 50 Y CA 1.133 59.017 58.100 -0.361 0.000 1.255 50 Y CB -0.033 38.432 38.460 0.009 0.000 0.991 50 Y HN 0.618 nan 8.280 nan 0.000 0.552 51 S N -2.196 113.394 115.700 -0.183 0.000 2.554 51 S HA 0.619 5.088 4.470 -0.001 0.000 0.227 51 S C 0.559 175.086 174.600 -0.121 0.000 1.050 51 S CA 0.067 58.199 58.200 -0.113 0.000 0.927 51 S CB 0.387 63.540 63.200 -0.078 0.000 0.859 51 S HN 0.103 nan 8.310 nan 0.000 0.494 52 A N 0.849 123.556 122.820 -0.189 0.000 2.587 52 A HA 0.695 5.015 4.320 -0.001 0.000 0.293 52 A C -1.729 175.951 177.584 0.159 0.000 1.087 52 A CA -0.690 51.340 52.037 -0.010 0.000 0.692 52 A CB 0.968 19.995 19.000 0.046 0.000 1.291 52 A HN 0.130 nan 8.150 nan 0.000 0.407 53 D N 1.113 121.585 120.400 0.120 0.000 2.344 53 D HA 0.459 5.099 4.640 -0.001 0.000 0.244 53 D C -2.458 173.644 176.300 -0.329 0.000 1.134 53 D CA -0.976 52.950 54.000 -0.124 0.000 0.930 53 D CB 0.436 41.089 40.800 -0.245 0.000 1.175 53 D HN 0.168 nan 8.370 nan 0.000 0.437 54 P HA 0.119 nan 4.420 nan 0.000 0.267 54 P C -2.308 174.465 177.300 -0.878 0.000 1.209 54 P CA -0.737 61.543 63.100 -1.366 0.000 0.763 54 P CB -0.098 30.525 31.700 -1.795 0.000 0.816 55 P HA 0.016 nan 4.420 nan 0.000 0.272 55 P C 0.205 177.304 177.300 -0.335 0.000 1.223 55 P CA 0.070 62.948 63.100 -0.371 0.000 0.784 55 P CB 0.864 32.410 31.700 -0.256 0.000 0.923 56 D N 0.983 121.258 120.400 -0.208 0.000 2.265 56 D HA -0.165 4.475 4.640 -0.001 0.000 0.208 56 D C 1.012 177.241 176.300 -0.120 0.000 0.977 56 D CA 1.456 55.370 54.000 -0.143 0.000 0.871 56 D CB -0.236 40.514 40.800 -0.084 0.000 0.925 56 D HN 0.555 nan 8.370 nan 0.000 0.485 57 D N -0.305 120.019 120.400 -0.125 0.000 2.349 57 D HA -0.028 4.611 4.640 -0.001 0.000 0.214 57 D C 0.578 176.817 176.300 -0.102 0.000 1.063 57 D CA -0.362 53.583 54.000 -0.092 0.000 0.847 57 D CB -0.311 40.448 40.800 -0.067 0.000 0.933 57 D HN 0.065 nan 8.370 nan 0.000 0.513 58 L N 2.011 123.137 121.223 -0.161 0.000 2.282 58 L HA 0.193 4.533 4.340 -0.001 0.000 0.287 58 L C 0.769 177.632 176.870 -0.012 0.000 1.075 58 L CA -0.044 54.709 54.840 -0.145 0.000 0.839 58 L CB 0.529 42.373 42.059 -0.357 0.000 1.219 58 L HN -0.172 nan 8.230 nan 0.000 0.434 59 D N 2.949 123.337 120.400 -0.019 0.000 2.084 59 D HA -0.081 4.559 4.640 -0.001 0.000 0.194 59 D C 0.225 176.479 176.300 -0.075 0.000 0.990 59 D CA 1.392 55.377 54.000 -0.026 0.000 0.826 59 D CB 0.236 41.002 40.800 -0.056 0.000 0.971 59 D HN 0.301 nan 8.370 nan 0.000 0.453 60 V N 0.533 120.382 119.914 -0.108 0.000 2.769 60 V HA 0.513 4.632 4.120 -0.001 0.000 0.312 60 V C -0.698 175.327 176.094 -0.115 0.000 1.061 60 V CA -0.863 61.278 62.300 -0.264 0.000 0.931 60 V CB 1.911 33.603 31.823 -0.217 0.000 1.010 60 V HN 0.143 nan 8.190 nan 0.000 0.433 61 F N 1.372 121.301 119.950 -0.036 0.000 2.725 61 F HA 0.791 5.318 4.527 -0.001 0.000 0.309 61 F C -1.196 174.724 175.800 0.201 0.000 1.132 61 F CA -1.261 56.766 58.000 0.044 0.000 0.957 61 F CB 1.021 39.907 39.000 -0.189 0.000 1.286 61 F HN 0.196 nan 8.300 nan 0.000 0.440 62 V N 3.104 123.338 119.914 0.533 0.000 2.472 62 V HA 0.785 4.904 4.120 -0.001 0.000 0.290 62 V C -0.158 176.352 176.094 0.694 0.000 1.037 62 V CA -0.615 61.958 62.300 0.456 0.000 0.908 62 V CB 1.236 33.242 31.823 0.304 0.000 0.985 62 V HN 0.873 nan 8.190 nan 0.000 0.454 63 L N 0.630 122.192 121.223 0.565 0.000 2.376 63 L HA 0.768 5.107 4.340 -0.001 0.000 0.258 63 L C -0.538 176.516 176.870 0.306 0.000 1.013 63 L CA -0.720 54.469 54.840 0.582 0.000 0.822 63 L CB 1.957 44.491 42.059 0.793 0.000 1.388 63 L HN 0.459 nan 8.230 nan 0.000 0.413 64 D N 0.565 121.154 120.400 0.316 0.000 2.312 64 D HA 0.139 4.779 4.640 -0.001 0.000 0.252 64 D C 0.546 176.891 176.300 0.075 0.000 1.150 64 D CA 0.078 54.181 54.000 0.171 0.000 0.870 64 D CB 1.930 42.877 40.800 0.244 0.000 1.153 64 D HN 0.719 nan 8.370 nan 0.000 0.457 65 S N 2.821 118.535 115.700 0.024 0.000 2.520 65 S HA -0.154 4.316 4.470 -0.001 0.000 0.249 65 S C 1.824 176.296 174.600 -0.212 0.000 0.983 65 S CA 0.412 58.589 58.200 -0.039 0.000 0.958 65 S CB -0.430 62.775 63.200 0.009 0.000 0.750 65 S HN 0.691 nan 8.310 nan 0.000 0.527 66 I N -3.037 117.284 120.570 -0.414 0.000 2.830 66 I HA 0.023 4.193 4.170 -0.001 0.000 0.263 66 I C 0.950 176.560 176.117 -0.845 0.000 1.230 66 I CA 1.282 62.137 61.300 -0.743 0.000 1.480 66 I CB -0.343 37.088 38.000 -0.948 0.000 1.095 66 I HN 0.087 nan 8.210 nan 0.000 0.455 67 F N 0.047 119.776 119.950 -0.368 0.000 2.678 67 F HA 0.259 4.786 4.527 -0.001 0.000 0.305 67 F C 1.749 177.204 175.800 -0.575 0.000 1.090 67 F CA -0.255 57.430 58.000 -0.525 0.000 1.272 67 F CB -0.181 38.311 39.000 -0.847 0.000 1.060 67 F HN 0.017 nan 8.300 nan 0.000 0.576 68 L N -0.039 121.065 121.223 -0.198 0.000 2.012 68 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 68 L C 2.398 179.272 176.870 0.007 0.000 1.073 68 L CA 1.827 56.644 54.840 -0.039 0.000 0.748 68 L CB -1.005 41.069 42.059 0.026 0.000 0.891 68 L HN 0.015 nan 8.230 nan 0.000 0.431 69 S N -1.385 114.298 115.700 -0.028 0.000 2.353 69 S HA -0.295 4.175 4.470 -0.001 0.000 0.222 69 S C 1.982 176.624 174.600 0.070 0.000 1.035 69 S CA 1.487 59.683 58.200 -0.007 0.000 1.025 69 S CB -0.697 62.486 63.200 -0.028 0.000 0.902 69 S HN 0.708 nan 8.310 nan 0.000 0.440 70 H N -0.199 118.893 119.070 0.036 0.000 2.352 70 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 70 H C 1.825 177.356 175.328 0.339 0.000 1.097 70 H CA 1.640 57.782 56.048 0.157 0.000 1.311 70 H CB -0.172 29.717 29.762 0.212 0.000 1.377 70 H HN 0.338 nan 8.280 nan 0.000 0.504 71 F N 0.607 120.562 119.950 0.008 0.000 2.171 71 F HA -0.149 4.378 4.527 -0.001 0.000 0.300 71 F C 2.749 178.503 175.800 -0.078 0.000 1.090 71 F CA 0.582 58.618 58.000 0.061 0.000 1.293 71 F CB -1.059 38.085 39.000 0.240 0.000 1.013 71 F HN 0.037 nan 8.300 nan 0.000 0.486 72 V N 0.206 120.140 119.914 0.033 0.000 2.270 72 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 72 V C 1.926 177.890 176.094 -0.217 0.000 1.043 72 V CA 2.051 64.189 62.300 -0.269 0.000 1.014 72 V CB -0.600 30.930 31.823 -0.490 0.000 0.645 72 V HN 0.129 nan 8.190 nan 0.000 0.447 73 D N 0.466 120.783 120.400 -0.138 0.000 2.310 73 D HA -0.044 4.596 4.640 -0.001 0.000 0.212 73 D C 1.824 178.030 176.300 -0.157 0.000 0.965 73 D CA 1.292 55.228 54.000 -0.107 0.000 0.879 73 D CB -0.130 40.649 40.800 -0.035 0.000 0.921 73 D HN 0.475 nan 8.370 nan 0.000 0.510 74 A N -0.289 122.358 122.820 -0.288 0.000 2.275 74 A HA 0.434 4.753 4.320 -0.001 0.000 0.212 74 A C 1.768 179.005 177.584 -0.578 0.000 1.201 74 A CA 0.782 52.507 52.037 -0.520 0.000 0.843 74 A CB -0.123 18.299 19.000 -0.964 0.000 0.873 74 A HN 0.194 nan 8.150 nan 0.000 0.492 75 G N -1.868 106.725 108.800 -0.346 0.000 2.160 75 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.251 75 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.251 75 G C 0.473 175.294 174.900 -0.132 0.000 1.008 75 G CA 0.692 45.673 45.100 -0.198 0.000 0.724 75 G HN 0.433 nan 8.290 nan 0.000 0.514 76 Y N -0.425 119.832 120.300 -0.071 0.000 2.337 76 Y HA 0.359 4.909 4.550 -0.001 0.000 0.293 76 Y C 2.166 178.070 175.900 0.007 0.000 1.123 76 Y CA 0.521 58.566 58.100 -0.093 0.000 1.201 76 Y CB -0.046 38.269 38.460 -0.242 0.000 1.011 76 Y HN 0.360 nan 8.280 nan 0.000 0.545 77 L N -0.306 121.049 121.223 0.220 0.000 2.416 77 L HA 0.424 4.764 4.340 -0.001 0.000 0.263 77 L C -0.951 176.065 176.870 0.243 0.000 1.065 77 L CA -1.120 53.877 54.840 0.262 0.000 0.798 77 L CB 0.992 43.283 42.059 0.385 0.000 1.267 77 L HN -0.149 nan 8.230 nan 0.000 0.467 78 L N 2.483 123.801 121.223 0.159 0.000 2.356 78 L HA 0.574 4.913 4.340 -0.001 0.000 0.277 78 L C -2.341 174.420 176.870 -0.183 0.000 0.996 78 L CA -1.558 53.271 54.840 -0.019 0.000 0.822 78 L CB 1.898 43.862 42.059 -0.159 0.000 1.256 78 L HN 0.262 nan 8.230 nan 0.000 0.413 79 P HA 0.239 nan 4.420 nan 0.000 0.276 79 P C -1.228 175.817 177.300 -0.426 0.000 1.252 79 P CA -0.217 62.495 63.100 -0.647 0.000 0.802 79 P CB 0.675 31.895 31.700 -0.799 0.000 1.035 80 F N -0.100 119.689 119.950 -0.269 0.000 2.411 80 F HA 0.435 4.962 4.527 -0.001 0.000 0.352 80 F C 1.389 177.112 175.800 -0.127 0.000 1.123 80 F CA -0.088 57.825 58.000 -0.146 0.000 1.044 80 F CB 1.093 40.033 39.000 -0.100 0.000 1.135 80 F HN 0.283 nan 8.300 nan 0.000 0.461 81 G N 0.661 109.489 108.800 0.046 0.000 2.572 81 G HA2 0.168 4.127 3.960 -0.001 0.000 0.261 81 G HA3 0.168 4.127 3.960 -0.001 0.000 0.261 81 G C 0.943 175.875 174.900 0.053 0.000 1.197 81 G CA -0.311 44.801 45.100 0.020 0.000 0.870 81 G HN 0.660 nan 8.290 nan 0.000 0.548 82 S N -0.743 114.974 115.700 0.028 0.000 2.440 82 S HA -0.170 4.299 4.470 -0.001 0.000 0.238 82 S C 2.144 176.763 174.600 0.031 0.000 1.010 82 S CA 1.895 60.110 58.200 0.026 0.000 0.972 82 S CB -0.181 63.028 63.200 0.015 0.000 0.774 82 S HN 0.598 nan 8.310 nan 0.000 0.501 83 Q N 0.772 120.592 119.800 0.032 0.000 2.378 83 Q HA 0.044 4.384 4.340 -0.001 0.000 0.205 83 Q C 0.707 176.738 176.000 0.052 0.000 0.954 83 Q CA 1.177 56.999 55.803 0.031 0.000 0.901 83 Q CB 0.032 28.782 28.738 0.019 0.000 0.981 83 Q HN 0.475 nan 8.270 nan 0.000 0.483 84 D N -0.679 119.773 120.400 0.086 0.000 2.349 84 D HA 0.138 4.778 4.640 -0.001 0.000 0.214 84 D C -0.290 176.118 176.300 0.180 0.000 1.063 84 D CA 0.199 54.291 54.000 0.153 0.000 0.847 84 D CB 0.648 41.578 40.800 0.216 0.000 0.933 84 D HN 0.297 nan 8.370 nan 0.000 0.513 85 I N 1.647 122.267 120.570 0.085 0.000 2.355 85 I HA 0.130 4.299 4.170 -0.001 0.000 0.288 85 I C -0.256 175.865 176.117 0.007 0.000 0.999 85 I CA -0.789 60.515 61.300 0.008 0.000 1.163 85 I CB 1.569 39.543 38.000 -0.043 0.000 1.316 85 I HN -0.407 nan 8.210 nan 0.000 0.454 86 D N 7.052 127.454 120.400 0.003 0.000 2.317 86 D HA 0.102 4.742 4.640 -0.001 0.000 0.252 86 D C 0.131 176.431 176.300 -0.001 0.000 1.174 86 D CA 0.174 54.180 54.000 0.010 0.000 0.866 86 D CB 1.047 41.860 40.800 0.021 0.000 1.127 86 D HN 0.465 nan 8.370 nan 0.000 0.467 87 Q N 0.792 120.596 119.800 0.006 0.000 2.452 87 Q HA -0.265 4.075 4.340 -0.001 0.000 0.318 87 Q C 0.672 176.674 176.000 0.003 0.000 1.386 87 Q CA 0.462 56.271 55.803 0.009 0.000 0.872 87 Q CB -1.236 27.511 28.738 0.015 0.000 1.151 87 Q HN 0.617 nan 8.270 nan 0.000 0.417 88 A N 1.035 123.852 122.820 -0.004 0.000 2.125 88 A HA -0.206 4.114 4.320 -0.001 0.000 0.219 88 A C 1.989 179.575 177.584 0.004 0.000 1.156 88 A CA 1.520 53.548 52.037 -0.015 0.000 0.671 88 A CB -0.159 18.830 19.000 -0.018 0.000 0.794 88 A HN 0.666 nan 8.150 nan 0.000 0.459 89 E N 0.214 120.427 120.200 0.021 0.000 2.358 89 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 89 E C 0.972 177.624 176.600 0.087 0.000 1.010 89 E CA 1.375 57.799 56.400 0.041 0.000 0.856 89 E CB -0.364 29.354 29.700 0.029 0.000 0.795 89 E HN 0.514 nan 8.360 nan 0.000 0.504 90 D N 0.767 121.215 120.400 0.080 0.000 2.249 90 D HA -0.020 4.620 4.640 -0.001 0.000 0.205 90 D C 0.340 176.707 176.300 0.112 0.000 0.962 90 D CA 0.156 54.237 54.000 0.136 0.000 0.860 90 D CB 0.369 41.218 40.800 0.081 0.000 0.955 90 D HN -0.042 nan 8.370 nan 0.000 0.505 91 V N 1.884 121.808 119.914 0.018 0.000 2.715 91 V HA 0.056 4.176 4.120 -0.001 0.000 0.299 91 V C 0.773 176.797 176.094 -0.116 0.000 1.054 91 V CA -0.491 61.766 62.300 -0.072 0.000 1.077 91 V CB 1.225 32.992 31.823 -0.094 0.000 0.972 91 V HN 0.092 nan 8.190 nan 0.000 0.484 92 L N 6.591 127.664 121.223 -0.249 0.000 2.534 92 L HA 0.083 4.423 4.340 -0.001 0.000 0.271 92 L C -1.168 175.582 176.870 -0.200 0.000 1.178 92 L CA -1.074 53.598 54.840 -0.281 0.000 0.907 92 L CB 0.144 41.974 42.059 -0.381 0.000 1.164 92 L HN 0.500 nan 8.230 nan 0.000 0.482 93 P HA -0.288 nan 4.420 nan 0.000 0.219 93 P C 1.454 178.749 177.300 -0.009 0.000 1.161 93 P CA 1.760 64.865 63.100 0.007 0.000 0.909 93 P CB 0.014 31.759 31.700 0.076 0.000 0.793 94 F N -1.044 118.852 119.950 -0.091 0.000 2.293 94 F HA 0.066 4.593 4.527 -0.000 0.000 0.300 94 F C 1.969 177.714 175.800 -0.091 0.000 1.086 94 F CA 0.966 58.902 58.000 -0.107 0.000 1.375 94 F CB -1.383 37.523 39.000 -0.157 0.000 1.045 94 F HN -0.158 nan 8.300 nan 0.000 0.516 95 A N 0.988 123.238 122.820 -0.950 0.000 1.929 95 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 95 A C 2.109 179.515 177.584 -0.296 0.000 1.176 95 A CA 1.373 52.978 52.037 -0.718 0.000 0.628 95 A CB -1.076 17.471 19.000 -0.756 0.000 0.816 95 A HN 0.467 nan 8.150 nan 0.000 0.444 96 L N -0.068 121.021 121.223 -0.224 0.000 2.093 96 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 96 L C 2.382 179.219 176.870 -0.054 0.000 1.085 96 L CA 2.045 56.814 54.840 -0.119 0.000 0.755 96 L CB -0.643 41.360 42.059 -0.093 0.000 0.904 96 L HN 0.485 nan 8.230 nan 0.000 0.435 97 Q N -1.080 118.700 119.800 -0.033 0.000 2.172 97 Q HA -0.045 4.295 4.340 -0.001 0.000 0.200 97 Q C 1.948 177.975 176.000 0.044 0.000 0.964 97 Q CA 1.023 56.838 55.803 0.019 0.000 0.855 97 Q CB -0.395 28.364 28.738 0.036 0.000 0.918 97 Q HN 0.647 nan 8.270 nan 0.000 0.444 98 G N 0.348 109.166 108.800 0.030 0.000 2.625 98 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.214 98 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.214 98 G C 1.093 176.028 174.900 0.059 0.000 1.132 98 G CA 0.659 45.801 45.100 0.071 0.000 0.782 98 G HN 0.350 nan 8.290 nan 0.000 0.538 99 A N -0.472 122.371 122.820 0.039 0.000 2.348 99 A HA 0.427 4.746 4.320 -0.001 0.000 0.224 99 A C 0.973 178.634 177.584 0.128 0.000 1.227 99 A CA -0.132 51.945 52.037 0.067 0.000 0.885 99 A CB 0.215 19.226 19.000 0.018 0.000 0.933 99 A HN 0.272 nan 8.150 nan 0.000 0.506 100 K N 0.156 120.626 120.400 0.116 0.000 2.110 100 K HA 0.611 4.930 4.320 -0.001 0.000 0.263 100 K C -0.267 176.436 176.600 0.172 0.000 0.975 100 K CA -0.434 55.945 56.287 0.154 0.000 0.895 100 K CB 1.461 34.023 32.500 0.102 0.000 1.060 100 K HN 0.299 nan 8.250 nan 0.000 0.448 101 R N 1.677 122.324 120.500 0.245 0.000 2.566 101 R HA 0.125 4.465 4.340 -0.001 0.000 0.271 101 R C -1.015 175.415 176.300 0.218 0.000 1.071 101 R CA -0.410 55.793 56.100 0.171 0.000 0.915 101 R CB 0.846 31.188 30.300 0.070 0.000 1.228 101 R HN 0.734 nan 8.270 nan 0.000 0.449 102 N N 2.192 120.970 118.700 0.129 0.000 2.725 102 N HA -0.201 4.538 4.740 -0.001 0.000 0.249 102 N C 0.511 176.097 175.510 0.126 0.000 1.103 102 N CA 1.763 54.886 53.050 0.121 0.000 0.707 102 N CB -1.215 37.357 38.487 0.142 0.000 1.043 102 N HN 1.089 nan 8.380 nan 0.000 0.553 103 G N -1.196 107.670 108.800 0.111 0.000 2.162 103 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.260 103 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.260 103 G C -0.196 174.752 174.900 0.080 0.000 0.976 103 G CA 0.915 46.065 45.100 0.083 0.000 0.655 103 G HN 0.614 nan 8.290 nan 0.000 0.533 104 E N -0.825 119.449 120.200 0.123 0.000 2.244 104 E HA 0.575 4.925 4.350 -0.001 0.000 0.266 104 E C -0.402 176.231 176.600 0.054 0.000 0.914 104 E CA -1.098 55.320 56.400 0.031 0.000 0.794 104 E CB 2.638 32.280 29.700 -0.096 0.000 1.210 104 E HN 0.056 nan 8.360 nan 0.000 0.414 105 V N 2.685 122.581 119.914 -0.030 0.000 2.432 105 V HA 0.040 4.160 4.120 -0.001 0.000 0.271 105 V C -0.527 175.585 176.094 0.031 0.000 1.046 105 V CA 0.137 62.462 62.300 0.040 0.000 0.945 105 V CB -0.092 31.741 31.823 0.017 0.000 0.992 105 V HN 0.713 nan 8.190 nan 0.000 0.471 106 Y N 2.927 123.332 120.300 0.176 0.000 2.531 106 Y HA 0.575 5.124 4.550 -0.000 0.000 0.249 106 Y C 1.122 177.179 175.900 0.261 0.000 1.168 106 Y CA 0.199 58.444 58.100 0.242 0.000 1.226 106 Y CB 1.161 39.727 38.460 0.176 0.000 1.177 106 Y HN 0.736 nan 8.280 nan 0.000 0.527 107 G N 0.063 108.998 108.800 0.226 0.000 2.655 107 G HA2 0.443 4.402 3.960 -0.001 0.000 0.296 107 G HA3 0.443 4.402 3.960 -0.001 0.000 0.296 107 G C -1.892 172.903 174.900 -0.175 0.000 1.485 107 G CA -0.881 44.260 45.100 0.068 0.000 0.869 107 G HN -0.025 nan 8.290 nan 0.000 0.540 108 L N 1.733 122.790 121.223 -0.275 0.000 2.265 108 L HA 0.357 4.696 4.340 -0.001 0.000 0.289 108 L C -2.267 174.522 176.870 -0.136 0.000 1.033 108 L CA -1.886 52.785 54.840 -0.281 0.000 0.814 108 L CB 1.980 43.824 42.059 -0.358 0.000 1.203 108 L HN 0.198 nan 8.230 nan 0.000 0.423 109 P HA -0.017 nan 4.420 nan 0.000 0.262 109 P C -0.144 177.120 177.300 -0.060 0.000 1.199 109 P CA 0.335 63.380 63.100 -0.091 0.000 0.763 109 P CB 0.832 32.449 31.700 -0.138 0.000 0.790 110 Q N 3.643 123.427 119.800 -0.026 0.000 2.511 110 Q HA 0.203 4.543 4.340 -0.001 0.000 0.236 110 Q C 0.040 176.067 176.000 0.045 0.000 0.893 110 Q CA 0.537 56.352 55.803 0.020 0.000 0.947 110 Q CB 0.480 29.248 28.738 0.050 0.000 1.110 110 Q HN 0.384 nan 8.270 nan 0.000 0.591 111 I N 1.557 122.136 120.570 0.016 0.000 2.686 111 I HA 0.362 4.532 4.170 -0.001 0.000 0.295 111 I C -1.101 175.048 176.117 0.053 0.000 1.114 111 I CA -0.830 60.500 61.300 0.049 0.000 1.038 111 I CB 2.392 40.405 38.000 0.022 0.000 1.238 111 I HN 0.057 nan 8.210 nan 0.000 0.420 112 L N 4.407 125.713 121.223 0.138 0.000 2.333 112 L HA 0.740 5.080 4.340 -0.001 0.000 0.269 112 L C -0.936 176.102 176.870 0.280 0.000 1.010 112 L CA -0.703 54.280 54.840 0.238 0.000 0.818 112 L CB 2.228 44.466 42.059 0.299 0.000 1.306 112 L HN 0.633 nan 8.230 nan 0.000 0.430 113 C N 0.805 120.314 119.300 0.348 0.000 2.985 113 C HA 0.807 5.267 4.460 -0.001 0.000 0.332 113 C C -0.429 174.714 174.990 0.254 0.000 1.164 113 C CA -0.072 59.078 59.018 0.219 0.000 1.347 113 C CB 1.681 29.402 27.740 -0.032 0.000 1.764 113 C HN 0.920 nan 8.230 nan 0.000 0.489 114 T N 3.491 118.129 114.554 0.141 0.000 2.821 114 T HA 0.470 4.820 4.350 -0.001 0.000 0.306 114 T C -1.488 173.288 174.700 0.126 0.000 1.313 114 T CA -0.358 61.733 62.100 -0.014 0.000 1.012 114 T CB 1.284 69.781 68.868 -0.617 0.000 1.298 114 T HN 0.779 nan 8.240 nan 0.000 0.502 115 N N 2.257 120.976 118.700 0.032 0.000 2.472 115 N HA 0.568 5.308 4.740 -0.001 0.000 0.277 115 N C -0.772 174.630 175.510 -0.180 0.000 1.081 115 N CA -0.121 52.898 53.050 -0.051 0.000 0.973 115 N CB 0.770 39.205 38.487 -0.087 0.000 1.105 115 N HN 0.484 nan 8.380 nan 0.000 0.470 116 L N 1.234 122.290 121.223 -0.279 0.000 2.301 116 L HA 0.526 4.865 4.340 -0.001 0.000 0.264 116 L C -0.579 175.996 176.870 -0.491 0.000 1.016 116 L CA -1.142 53.450 54.840 -0.414 0.000 0.821 116 L CB 1.941 43.600 42.059 -0.667 0.000 1.346 116 L HN 0.231 nan 8.230 nan 0.000 0.429 117 L N 1.348 122.339 121.223 -0.387 0.000 2.276 117 L HA 0.488 4.828 4.340 -0.001 0.000 0.286 117 L C -1.167 175.579 176.870 -0.207 0.000 1.024 117 L CA 0.265 54.963 54.840 -0.238 0.000 0.826 117 L CB 0.379 42.392 42.059 -0.078 0.000 1.211 117 L HN 0.168 nan 8.230 nan 0.000 0.422 118 F N 5.943 125.847 119.950 -0.077 0.000 2.404 118 F HA 0.525 5.052 4.527 -0.001 0.000 0.345 118 F C -0.170 175.699 175.800 0.115 0.000 1.110 118 F CA -0.075 57.927 58.000 0.003 0.000 1.130 118 F CB 0.860 39.796 39.000 -0.106 0.000 1.129 118 F HN 0.497 nan 8.300 nan 0.000 0.500 119 Y N 0.021 120.539 120.300 0.364 0.000 2.581 119 Y HA 0.722 5.272 4.550 -0.001 0.000 0.345 119 Y C -0.738 175.443 175.900 0.470 0.000 1.036 119 Y CA -2.059 56.296 58.100 0.425 0.000 1.042 119 Y CB 1.014 39.601 38.460 0.212 0.000 1.289 119 Y HN 0.407 nan 8.280 nan 0.000 0.471 120 R N 2.066 122.876 120.500 0.516 0.000 2.490 120 R HA 0.167 4.506 4.340 -0.001 0.000 0.280 120 R C 1.091 177.467 176.300 0.126 0.000 1.077 120 R CA -0.525 55.713 56.100 0.230 0.000 1.065 120 R CB 1.069 31.472 30.300 0.172 0.000 1.003 120 R HN 0.928 nan 8.270 nan 0.000 0.470 121 K N 1.888 122.278 120.400 -0.015 0.000 2.044 121 K HA -0.279 4.041 4.320 -0.001 0.000 0.224 121 K C 1.806 178.446 176.600 0.066 0.000 1.056 121 K CA 2.354 58.624 56.287 -0.029 0.000 0.962 121 K CB -0.434 32.026 32.500 -0.066 0.000 0.730 121 K HN 0.849 nan 8.250 nan 0.000 0.453 122 G N 0.131 108.975 108.800 0.074 0.000 2.511 122 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.217 122 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.217 122 G C 0.215 175.187 174.900 0.119 0.000 1.133 122 G CA 0.177 45.326 45.100 0.082 0.000 0.792 122 G HN 0.375 nan 8.290 nan 0.000 0.539 123 D N 0.893 121.399 120.400 0.176 0.000 2.429 123 D HA 0.110 4.749 4.640 -0.001 0.000 0.253 123 D C 1.667 178.057 176.300 0.151 0.000 1.294 123 D CA -0.049 54.057 54.000 0.177 0.000 1.063 123 D CB 0.030 40.969 40.800 0.232 0.000 1.096 123 D HN 0.156 nan 8.370 nan 0.000 0.516 124 L N 2.742 124.007 121.223 0.071 0.000 2.131 124 L HA -0.051 4.289 4.340 -0.001 0.000 0.206 124 L C 2.381 179.209 176.870 -0.071 0.000 1.087 124 L CA 0.479 55.324 54.840 0.008 0.000 0.767 124 L CB -0.185 41.887 42.059 0.021 0.000 0.917 124 L HN 0.231 nan 8.230 nan 0.000 0.441 125 K N 0.297 120.672 120.400 -0.041 0.000 2.074 125 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 125 K C 2.003 178.539 176.600 -0.108 0.000 1.048 125 K CA 1.281 57.536 56.287 -0.054 0.000 0.926 125 K CB -0.070 32.416 32.500 -0.023 0.000 0.713 125 K HN 0.191 nan 8.250 nan 0.000 0.444 126 I N 0.046 120.526 120.570 -0.151 0.000 2.406 126 I HA -0.080 4.089 4.170 -0.001 0.000 0.249 126 I C 2.366 178.162 176.117 -0.534 0.000 1.122 126 I CA 1.157 62.312 61.300 -0.242 0.000 1.431 126 I CB -1.414 36.505 38.000 -0.136 0.000 1.087 126 I HN 0.199 nan 8.210 nan 0.000 0.424 127 G N 1.298 109.597 108.800 -0.835 0.000 2.586 127 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.215 127 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.215 127 G C 1.301 175.968 174.900 -0.389 0.000 1.128 127 G CA 0.362 44.830 45.100 -1.053 0.000 0.774 127 G HN 0.665 nan 8.290 nan 0.000 0.543 128 Q N -0.213 119.438 119.800 -0.248 0.000 2.282 128 Q HA 0.305 4.644 4.340 -0.001 0.000 0.206 128 Q C 0.145 176.083 176.000 -0.103 0.000 0.878 128 Q CA -0.234 55.492 55.803 -0.129 0.000 0.944 128 Q CB 0.303 28.991 28.738 -0.084 0.000 1.100 128 Q HN 0.158 nan 8.270 nan 0.000 0.509 129 V N 2.275 122.111 119.914 -0.130 0.000 2.811 129 V HA -0.022 4.098 4.120 -0.001 0.000 0.302 129 V C 0.472 176.529 176.094 -0.062 0.000 1.063 129 V CA 0.425 62.677 62.300 -0.080 0.000 1.088 129 V CB 1.326 33.099 31.823 -0.083 0.000 0.982 129 V HN 0.312 nan 8.190 nan 0.000 0.485 130 D N 1.355 121.737 120.400 -0.030 0.000 2.469 130 D HA 0.132 4.772 4.640 -0.001 0.000 0.240 130 D C 0.298 176.589 176.300 -0.016 0.000 1.087 130 D CA 0.394 54.380 54.000 -0.022 0.000 0.876 130 D CB 0.702 41.496 40.800 -0.010 0.000 1.160 130 D HN 0.829 nan 8.370 nan 0.000 0.497 131 N N -0.582 118.120 118.700 0.003 0.000 2.571 131 N HA 0.216 4.956 4.740 -0.001 0.000 0.273 131 N C 1.042 176.525 175.510 -0.045 0.000 1.340 131 N CA -0.756 52.293 53.050 -0.001 0.000 0.789 131 N CB 1.316 39.857 38.487 0.091 0.000 1.514 131 N HN -0.151 nan 8.380 nan 0.000 0.499 132 I N -3.101 117.367 120.570 -0.170 0.000 2.530 132 I HA -0.226 3.943 4.170 -0.001 0.000 0.257 132 I C 0.647 176.605 176.117 -0.265 0.000 1.179 132 I CA 1.106 62.246 61.300 -0.267 0.000 1.440 132 I CB -0.434 37.326 38.000 -0.401 0.000 1.087 132 I HN 0.468 nan 8.210 nan 0.000 0.440 133 Y N 1.864 122.176 120.300 0.020 0.000 2.206 133 Y HA -0.031 4.518 4.550 -0.001 0.000 0.292 133 Y C 2.640 178.595 175.900 0.092 0.000 1.123 133 Y CA 1.383 59.515 58.100 0.054 0.000 1.142 133 Y CB -0.604 37.868 38.460 0.020 0.000 1.006 133 Y HN 0.177 nan 8.280 nan 0.000 0.518 134 E N 0.042 120.357 120.200 0.193 0.000 2.153 134 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 134 E C 2.109 178.752 176.600 0.071 0.000 0.988 134 E CA 0.744 57.209 56.400 0.109 0.000 0.811 134 E CB -0.192 29.544 29.700 0.061 0.000 0.746 134 E HN 0.336 nan 8.360 nan 0.000 0.466 135 L N 0.372 121.630 121.223 0.057 0.000 2.093 135 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 135 L C 2.239 179.158 176.870 0.080 0.000 1.085 135 L CA 1.525 56.385 54.840 0.034 0.000 0.755 135 L CB -0.394 41.664 42.059 -0.000 0.000 0.904 135 L HN 0.186 nan 8.230 nan 0.000 0.435 136 Y N 1.390 121.678 120.300 -0.020 0.000 2.181 136 Y HA -0.238 4.311 4.550 -0.001 0.000 0.288 136 Y C 2.552 178.459 175.900 0.012 0.000 1.146 136 Y CA 1.755 59.851 58.100 -0.006 0.000 1.164 136 Y CB -0.163 38.303 38.460 0.011 0.000 0.982 136 Y HN 0.117 nan 8.280 nan 0.000 0.515 137 K N -0.356 120.063 120.400 0.031 0.000 2.280 137 K HA -0.143 4.177 4.320 -0.001 0.000 0.202 137 K C 1.739 178.290 176.600 -0.082 0.000 1.047 137 K CA 1.090 57.348 56.287 -0.049 0.000 0.942 137 K CB 0.053 32.572 32.500 0.032 0.000 0.739 137 K HN 0.185 nan 8.250 nan 0.000 0.457 138 K N 0.351 120.715 120.400 -0.060 0.000 2.244 138 K HA 0.085 4.405 4.320 -0.001 0.000 0.200 138 K C 2.005 178.570 176.600 -0.059 0.000 1.052 138 K CA 0.756 57.013 56.287 -0.049 0.000 0.980 138 K CB 0.382 32.865 32.500 -0.027 0.000 0.838 138 K HN 0.296 nan 8.250 nan 0.000 0.481 139 I N -3.381 117.143 120.570 -0.076 0.000 4.187 139 I HA 0.293 4.463 4.170 -0.001 0.000 0.326 139 I C 0.893 176.923 176.117 -0.144 0.000 1.302 139 I CA 0.088 61.349 61.300 -0.066 0.000 1.196 139 I CB 0.052 38.047 38.000 -0.008 0.000 1.095 139 I HN 0.051 nan 8.210 nan 0.000 0.411 140 G N 1.940 110.557 108.800 -0.305 0.000 2.633 140 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.263 140 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.263 140 G C -0.133 174.604 174.900 -0.272 0.000 1.310 140 G CA 0.123 44.921 45.100 -0.504 0.000 0.914 140 G HN 0.392 nan 8.290 nan 0.000 0.569 141 T N 0.354 114.782 114.554 -0.210 0.000 2.884 141 T HA 0.466 4.815 4.350 -0.001 0.000 0.298 141 T C 0.878 175.355 174.700 -0.372 0.000 0.998 141 T CA 0.746 62.784 62.100 -0.103 0.000 1.124 141 T CB 1.318 70.183 68.868 -0.005 0.000 0.931 141 T HN 1.168 nan 8.240 nan 0.000 0.531 142 S N 1.905 117.477 115.700 -0.213 0.000 2.505 142 S HA 0.061 4.530 4.470 -0.001 0.000 0.276 142 S C 1.073 175.533 174.600 -0.234 0.000 1.274 142 S CA -0.574 57.491 58.200 -0.225 0.000 1.053 142 S CB 0.125 63.286 63.200 -0.064 0.000 0.919 142 S HN 0.706 nan 8.310 nan 0.000 0.490 143 H N 2.776 121.855 119.070 0.015 0.000 2.415 143 H HA 0.137 4.692 4.556 -0.001 0.000 0.297 143 H C 1.155 176.483 175.328 -0.000 0.000 1.048 143 H CA 0.945 56.997 56.048 0.007 0.000 1.365 143 H CB -0.392 29.370 29.762 -0.000 0.000 1.421 143 H HN 0.666 nan 8.280 nan 0.000 0.533 144 S N 0.944 116.699 115.700 0.091 0.000 2.608 144 S HA 0.260 4.730 4.470 -0.001 0.000 0.291 144 S C 0.694 175.298 174.600 0.005 0.000 1.146 144 S CA -0.780 57.442 58.200 0.037 0.000 1.043 144 S CB 2.500 65.708 63.200 0.012 0.000 1.037 144 S HN 0.081 nan 8.310 nan 0.000 0.520 145 E N 0.594 120.790 120.200 -0.007 0.000 2.476 145 E HA 0.043 4.393 4.350 -0.001 0.000 0.196 145 E C 0.326 176.894 176.600 -0.053 0.000 1.029 145 E CA -0.052 56.338 56.400 -0.016 0.000 0.896 145 E CB 0.204 29.902 29.700 -0.003 0.000 1.012 145 E HN 0.870 nan 8.360 nan 0.000 0.475 146 Q N 0.590 120.345 119.800 -0.075 0.000 2.392 146 Q HA 0.275 4.615 4.340 -0.001 0.000 0.262 146 Q C -0.068 175.810 176.000 -0.204 0.000 1.003 146 Q CA 0.347 56.072 55.803 -0.129 0.000 0.888 146 Q CB 0.863 29.527 28.738 -0.124 0.000 1.260 146 Q HN 0.003 nan 8.270 nan 0.000 0.435 147 I N 3.456 123.847 120.570 -0.299 0.000 2.382 147 I HA 0.362 4.532 4.170 -0.001 0.000 0.286 147 I C -1.880 173.846 176.117 -0.653 0.000 1.002 147 I CA -2.225 58.772 61.300 -0.506 0.000 1.135 147 I CB 1.464 39.118 38.000 -0.575 0.000 1.288 147 I HN 0.722 nan 8.210 nan 0.000 0.448 148 P HA 0.524 nan 4.420 nan 0.000 0.281 148 P C -2.811 174.226 177.300 -0.439 0.000 1.281 148 P CA -1.870 60.665 63.100 -0.942 0.000 0.811 148 P CB 0.180 31.014 31.700 -1.443 0.000 1.154 149 P HA 0.201 nan 4.420 nan 0.000 0.270 149 P C -2.295 174.936 177.300 -0.116 0.000 1.223 149 P CA -0.646 62.382 63.100 -0.121 0.000 0.785 149 P CB -1.122 30.562 31.700 -0.026 0.000 0.923 150 P HA -0.001 nan 4.420 nan 0.000 0.270 150 P C -0.477 176.798 177.300 -0.042 0.000 1.227 150 P CA -0.062 63.002 63.100 -0.060 0.000 0.788 150 P CB 0.166 31.849 31.700 -0.029 0.000 0.926 151 Q N 2.344 122.116 119.800 -0.046 0.000 2.247 151 Q HA -0.082 4.257 4.340 -0.001 0.000 0.288 151 Q C 0.008 176.004 176.000 -0.007 0.000 1.079 151 Q CA 0.316 56.097 55.803 -0.036 0.000 0.932 151 Q CB -0.746 27.965 28.738 -0.045 0.000 1.133 151 Q HN 0.368 nan 8.270 nan 0.000 0.377 152 N N 2.620 121.327 118.700 0.012 0.000 2.776 152 N HA -0.181 4.559 4.740 -0.001 0.000 0.250 152 N C -1.872 173.675 175.510 0.061 0.000 1.112 152 N CA 1.483 54.560 53.050 0.045 0.000 0.733 152 N CB -0.461 38.044 38.487 0.030 0.000 1.097 152 N HN 0.678 nan 8.380 nan 0.000 0.558 153 K N -0.569 119.867 120.400 0.059 0.000 2.501 153 K HA 0.670 4.990 4.320 -0.001 0.000 0.252 153 K C 0.146 176.780 176.600 0.057 0.000 0.934 153 K CA -0.340 55.979 56.287 0.053 0.000 0.797 153 K CB 1.781 34.303 32.500 0.037 0.000 1.270 153 K HN 0.356 nan 8.250 nan 0.000 0.431 154 G N 1.058 109.887 108.800 0.048 0.000 2.710 154 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.668 154 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.668 154 G C -1.940 173.017 174.900 0.095 0.000 1.320 154 G CA -0.748 44.380 45.100 0.046 0.000 0.860 154 G HN 0.485 nan 8.290 nan 0.000 0.538 155 L N -0.349 120.930 121.223 0.093 0.000 2.329 155 L HA 0.855 5.195 4.340 -0.001 0.000 0.279 155 L C -0.177 176.786 176.870 0.156 0.000 1.014 155 L CA -0.937 53.976 54.840 0.121 0.000 0.814 155 L CB 1.520 43.630 42.059 0.084 0.000 1.257 155 L HN 0.639 nan 8.230 nan 0.000 0.424 156 L N 6.810 128.165 121.223 0.219 0.000 2.272 156 L HA 0.629 4.968 4.340 -0.001 0.000 0.289 156 L C -0.562 176.494 176.870 0.309 0.000 1.032 156 L CA -0.343 54.669 54.840 0.287 0.000 0.810 156 L CB 1.484 43.736 42.059 0.321 0.000 1.205 156 L HN 0.678 nan 8.230 nan 0.000 0.422 157 I N 2.938 123.635 120.570 0.212 0.000 2.753 157 I HA 0.245 4.415 4.170 -0.001 0.000 0.291 157 I C -1.336 174.826 176.117 0.077 0.000 1.425 157 I CA -0.495 60.871 61.300 0.110 0.000 1.039 157 I CB 2.372 40.383 38.000 0.019 0.000 1.349 157 I HN 0.511 nan 8.210 nan 0.000 0.430 158 N N 7.799 126.507 118.700 0.014 0.000 2.469 158 N HA 0.401 5.140 4.740 -0.001 0.000 0.239 158 N C -0.566 174.926 175.510 -0.029 0.000 1.053 158 N CA -0.105 52.936 53.050 -0.015 0.000 0.937 158 N CB 0.564 39.007 38.487 -0.073 0.000 1.163 158 N HN 0.635 nan 8.380 nan 0.000 0.509 159 M N 1.788 121.389 119.600 0.003 0.000 2.685 159 M HA 0.329 4.808 4.480 -0.001 0.000 0.355 159 M C 0.172 176.475 176.300 0.004 0.000 1.197 159 M CA -0.487 54.815 55.300 0.004 0.000 0.947 159 M CB 0.612 33.221 32.600 0.015 0.000 1.346 159 M HN 0.414 nan 8.290 nan 0.000 0.516 160 A N 0.708 123.522 122.820 -0.011 0.000 2.322 160 A HA 0.761 5.080 4.320 -0.001 0.000 0.269 160 A C 0.732 178.292 177.584 -0.041 0.000 1.094 160 A CA 0.245 52.269 52.037 -0.023 0.000 0.807 160 A CB 0.137 19.113 19.000 -0.039 0.000 1.047 160 A HN 0.644 nan 8.150 nan 0.000 0.487 161 G N -0.016 108.761 108.800 -0.038 0.000 3.039 161 G HA2 0.259 4.219 3.960 -0.001 0.000 0.686 161 G HA3 0.259 4.219 3.960 -0.001 0.000 0.686 161 G C 0.800 175.690 174.900 -0.016 0.000 1.066 161 G CA 0.003 45.077 45.100 -0.043 0.000 0.774 161 G HN 1.838 nan 8.290 nan 0.000 0.591 162 G N 0.376 109.169 108.800 -0.011 0.000 2.432 162 G HA2 0.005 3.965 3.960 -0.001 0.000 0.219 162 G HA3 0.005 3.965 3.960 -0.001 0.000 0.219 162 G C 1.754 176.679 174.900 0.041 0.000 1.135 162 G CA 2.316 47.418 45.100 0.004 0.000 0.767 162 G HN 1.166 nan 8.290 nan 0.000 0.550 163 T N 0.625 115.212 114.554 0.055 0.000 2.904 163 T HA -0.050 4.300 4.350 -0.001 0.000 0.267 163 T C 2.640 177.425 174.700 0.142 0.000 1.059 163 T CA 1.547 63.722 62.100 0.125 0.000 1.137 163 T CB -0.283 68.672 68.868 0.145 0.000 0.879 163 T HN 0.265 nan 8.240 nan 0.000 0.467 164 T N 2.193 116.792 114.554 0.075 0.000 2.777 164 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 164 T C 2.012 176.783 174.700 0.117 0.000 1.040 164 T CA 0.998 63.152 62.100 0.089 0.000 1.141 164 T CB -0.121 68.761 68.868 0.024 0.000 0.868 164 T HN 0.429 nan 8.240 nan 0.000 0.444 165 K N 1.306 121.760 120.400 0.089 0.000 2.057 165 K HA 0.059 4.379 4.320 -0.001 0.000 0.207 165 K C 2.714 179.412 176.600 0.163 0.000 1.049 165 K CA 1.174 57.520 56.287 0.099 0.000 0.931 165 K CB -0.314 32.220 32.500 0.056 0.000 0.714 165 K HN 0.265 nan 8.250 nan 0.000 0.440 166 A N 1.263 124.186 122.820 0.172 0.000 1.940 166 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 166 A C 2.246 180.043 177.584 0.355 0.000 1.176 166 A CA 1.923 54.123 52.037 0.272 0.000 0.631 166 A CB -0.526 18.636 19.000 0.270 0.000 0.814 166 A HN 0.177 nan 8.150 nan 0.000 0.446 167 S N -0.624 115.261 115.700 0.308 0.000 2.368 167 S HA -0.092 4.378 4.470 -0.001 0.000 0.224 167 S C 1.999 176.698 174.600 0.164 0.000 1.029 167 S CA 1.647 60.052 58.200 0.342 0.000 0.988 167 S CB -0.358 63.117 63.200 0.457 0.000 0.838 167 S HN 0.582 nan 8.310 nan 0.000 0.462 168 M N -0.292 119.396 119.600 0.147 0.000 2.229 168 M HA -0.109 4.371 4.480 -0.001 0.000 0.264 168 M C 2.004 178.341 176.300 0.061 0.000 1.063 168 M CA 1.389 56.721 55.300 0.053 0.000 1.114 168 M CB -0.423 32.214 32.600 0.062 0.000 1.387 168 M HN 0.378 nan 8.290 nan 0.000 0.420 169 Y N 1.296 121.628 120.300 0.053 0.000 2.145 169 Y HA -0.216 4.334 4.550 -0.001 0.000 0.286 169 Y C 1.909 177.846 175.900 0.062 0.000 1.145 169 Y CA 1.720 59.863 58.100 0.073 0.000 1.148 169 Y CB -0.217 38.324 38.460 0.135 0.000 0.981 169 Y HN 0.058 nan 8.280 nan 0.000 0.507 170 L N -0.042 121.285 121.223 0.173 0.000 2.046 170 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 170 L C 2.400 179.270 176.870 0.001 0.000 1.077 170 L CA 1.699 56.559 54.840 0.033 0.000 0.747 170 L CB -0.555 41.475 42.059 -0.049 0.000 0.896 170 L HN 0.286 nan 8.230 nan 0.000 0.432 171 E N 0.072 120.147 120.200 -0.207 0.000 2.110 171 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 171 E C 2.297 178.794 176.600 -0.171 0.000 0.988 171 E CA 1.119 57.308 56.400 -0.352 0.000 0.804 171 E CB -0.114 29.262 29.700 -0.540 0.000 0.745 171 E HN 0.501 nan 8.360 nan 0.000 0.458 172 A N 1.130 123.853 122.820 -0.161 0.000 1.930 172 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 172 A C 2.127 179.625 177.584 -0.143 0.000 1.175 172 A CA 0.828 52.776 52.037 -0.148 0.000 0.627 172 A CB -0.458 18.444 19.000 -0.163 0.000 0.815 172 A HN 0.198 nan 8.150 nan 0.000 0.443 173 L N 0.115 121.225 121.223 -0.188 0.000 2.079 173 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 173 L C 2.223 179.074 176.870 -0.031 0.000 1.081 173 L CA 1.653 56.414 54.840 -0.132 0.000 0.752 173 L CB -0.420 41.579 42.059 -0.100 0.000 0.896 173 L HN 0.455 nan 8.230 nan 0.000 0.433 174 I N -0.789 119.788 120.570 0.012 0.000 2.226 174 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 174 I C 2.008 178.120 176.117 -0.010 0.000 1.100 174 I CA 1.331 62.628 61.300 -0.005 0.000 1.374 174 I CB -0.495 37.527 38.000 0.036 0.000 1.057 174 I HN 0.275 nan 8.210 nan 0.000 0.413 175 D N 0.432 120.820 120.400 -0.021 0.000 2.144 175 D HA -0.124 4.516 4.640 -0.001 0.000 0.199 175 D C 2.333 178.625 176.300 -0.013 0.000 0.984 175 D CA 1.083 55.072 54.000 -0.018 0.000 0.834 175 D CB -0.111 40.669 40.800 -0.033 0.000 0.955 175 D HN 0.143 nan 8.370 nan 0.000 0.465 176 V N 1.260 121.160 119.914 -0.023 0.000 2.244 176 V HA -0.215 3.904 4.120 -0.001 0.000 0.244 176 V C 2.685 178.769 176.094 -0.016 0.000 1.042 176 V CA 2.271 64.561 62.300 -0.016 0.000 1.006 176 V CB -1.039 30.767 31.823 -0.028 0.000 0.641 176 V HN 0.350 nan 8.190 nan 0.000 0.446 177 T N -1.619 112.922 114.554 -0.021 0.000 3.098 177 T HA 0.051 4.401 4.350 -0.001 0.000 0.266 177 T C 1.602 176.291 174.700 -0.018 0.000 1.145 177 T CA 1.057 63.145 62.100 -0.020 0.000 1.092 177 T CB -0.336 68.515 68.868 -0.029 0.000 0.908 177 T HN 1.111 nan 8.240 nan 0.000 0.526 178 G N 0.259 109.051 108.800 -0.012 0.000 2.180 178 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.263 178 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.263 178 G C -0.132 174.769 174.900 0.001 0.000 0.989 178 G CA 0.447 45.544 45.100 -0.005 0.000 0.692 178 G HN 0.832 nan 8.290 nan 0.000 0.526 179 Q N -0.958 118.836 119.800 -0.009 0.000 2.310 179 Q HA 0.628 4.967 4.340 -0.001 0.000 0.270 179 Q C -0.625 175.364 176.000 -0.019 0.000 1.025 179 Q CA -1.110 54.687 55.803 -0.010 0.000 0.772 179 Q CB 0.931 29.643 28.738 -0.043 0.000 1.253 179 Q HN 0.379 nan 8.270 nan 0.000 0.450 180 Y N 2.211 122.461 120.300 -0.084 0.000 2.309 180 Y HA 0.597 5.146 4.550 -0.001 0.000 0.327 180 Y C -0.478 175.336 175.900 -0.143 0.000 1.172 180 Y CA 0.363 58.406 58.100 -0.096 0.000 1.280 180 Y CB 1.197 39.628 38.460 -0.048 0.000 1.234 180 Y HN 0.597 nan 8.280 nan 0.000 0.512 181 T N 4.129 118.028 114.554 -1.091 0.000 2.889 181 T HA 0.257 4.607 4.350 -0.001 0.000 0.315 181 T C -0.279 173.809 174.700 -1.020 0.000 1.291 181 T CA -0.677 60.884 62.100 -0.899 0.000 1.028 181 T CB 1.355 69.791 68.868 -0.719 0.000 1.235 181 T HN 0.809 nan 8.240 nan 0.000 0.491 182 E N 1.654 121.516 120.200 -0.564 0.000 2.476 182 E HA 0.098 4.448 4.350 -0.001 0.000 0.191 182 E C -0.557 175.951 176.600 -0.155 0.000 1.064 182 E CA -0.147 56.074 56.400 -0.298 0.000 0.866 182 E CB -0.183 29.442 29.700 -0.125 0.000 0.952 182 E HN 0.726 nan 8.360 nan 0.000 0.492 183 Y N 0.626 120.765 120.300 -0.268 0.000 3.305 183 Y HA -0.296 4.253 4.550 -0.001 0.000 0.212 183 Y C 0.959 176.734 175.900 -0.207 0.000 1.248 183 Y CA 0.422 58.375 58.100 -0.246 0.000 1.359 183 Y CB -2.011 36.260 38.460 -0.314 0.000 1.407 183 Y HN 0.199 nan 8.280 nan 0.000 0.572 184 D N 0.375 120.746 120.400 -0.048 0.000 2.158 184 D HA -0.113 4.527 4.640 -0.001 0.000 0.197 184 D C 1.033 177.317 176.300 -0.027 0.000 0.995 184 D CA 1.606 55.583 54.000 -0.040 0.000 0.846 184 D CB 0.017 40.794 40.800 -0.037 0.000 0.941 184 D HN 0.331 nan 8.370 nan 0.000 0.456 185 L N -0.123 121.089 121.223 -0.017 0.000 2.294 185 L HA 0.456 4.796 4.340 -0.001 0.000 0.283 185 L C -0.420 176.456 176.870 0.010 0.000 1.015 185 L CA -0.675 54.164 54.840 -0.002 0.000 0.831 185 L CB 0.234 42.296 42.059 0.006 0.000 1.217 185 L HN -0.213 nan 8.230 nan 0.000 0.420 186 L N 5.730 126.919 121.223 -0.057 0.000 2.380 186 L HA 0.388 4.727 4.340 -0.001 0.000 0.273 186 L C -1.365 175.510 176.870 0.008 0.000 1.138 186 L CA -1.343 53.373 54.840 -0.206 0.000 0.832 186 L CB 0.562 42.237 42.059 -0.640 0.000 1.124 186 L HN 0.531 nan 8.230 nan 0.000 0.454 187 P HA 0.103 nan 4.420 nan 0.000 0.269 187 P C -2.601 174.933 177.300 0.391 0.000 1.217 187 P CA -1.020 62.226 63.100 0.245 0.000 0.783 187 P CB -0.342 31.535 31.700 0.295 0.000 0.898 188 P HA 0.163 nan 4.420 nan 0.000 0.275 188 P C 0.694 178.098 177.300 0.173 0.000 1.227 188 P CA -0.140 63.084 63.100 0.207 0.000 0.781 188 P CB 0.924 32.700 31.700 0.125 0.000 0.906 189 L N 0.687 121.934 121.223 0.040 0.000 2.610 189 L HA 0.103 4.443 4.340 -0.001 0.000 0.232 189 L C 0.600 177.421 176.870 -0.081 0.000 1.149 189 L CA 1.005 55.773 54.840 -0.120 0.000 0.872 189 L CB -0.350 41.519 42.059 -0.316 0.000 0.992 189 L HN 0.421 nan 8.230 nan 0.000 0.447 190 D N 0.151 120.543 120.400 -0.014 0.000 2.738 190 D HA 0.264 4.903 4.640 -0.001 0.000 0.218 190 D C -2.518 173.798 176.300 0.027 0.000 1.345 190 D CA -1.101 52.895 54.000 -0.006 0.000 0.943 190 D CB 2.011 42.796 40.800 -0.025 0.000 1.514 190 D HN -0.191 nan 8.370 nan 0.000 0.585 191 P HA 0.432 nan 4.420 nan 0.000 0.284 191 P C -0.450 176.894 177.300 0.074 0.000 1.258 191 P CA -0.648 62.476 63.100 0.039 0.000 0.824 191 P CB 1.340 33.064 31.700 0.041 0.000 1.038 192 L N 1.743 123.009 121.223 0.071 0.000 2.399 192 L HA 0.258 4.597 4.340 -0.001 0.000 0.266 192 L C 1.198 178.185 176.870 0.196 0.000 1.114 192 L CA -0.703 54.228 54.840 0.151 0.000 0.804 192 L CB 0.260 42.365 42.059 0.078 0.000 1.146 192 L HN 0.490 nan 8.230 nan 0.000 0.451 193 N N 1.651 120.531 118.700 0.299 0.000 2.452 193 N HA -0.059 4.680 4.740 -0.001 0.000 0.266 193 N C 0.164 175.763 175.510 0.148 0.000 1.209 193 N CA -0.107 53.047 53.050 0.174 0.000 0.929 193 N CB 1.041 39.592 38.487 0.106 0.000 1.063 193 N HN 0.535 nan 8.380 nan 0.000 0.472 194 D N 3.987 124.443 120.400 0.093 0.000 2.117 194 D HA -0.130 4.509 4.640 -0.001 0.000 0.198 194 D C 1.230 177.567 176.300 0.061 0.000 0.982 194 D CA 1.319 55.364 54.000 0.074 0.000 0.828 194 D CB 0.235 41.065 40.800 0.050 0.000 0.967 194 D HN 0.631 nan 8.370 nan 0.000 0.464 195 K N 0.601 121.027 120.400 0.043 0.000 2.211 195 K HA -0.078 4.242 4.320 -0.001 0.000 0.204 195 K C 2.132 178.759 176.600 0.046 0.000 1.047 195 K CA 0.611 56.922 56.287 0.040 0.000 0.935 195 K CB 0.046 32.558 32.500 0.019 0.000 0.728 195 K HN 0.045 nan 8.250 nan 0.000 0.452 196 V N 1.414 121.337 119.914 0.016 0.000 2.346 196 V HA -0.172 3.947 4.120 -0.001 0.000 0.244 196 V C 2.148 178.276 176.094 0.056 0.000 1.037 196 V CA 1.140 63.419 62.300 -0.035 0.000 1.029 196 V CB -0.282 31.387 31.823 -0.257 0.000 0.663 196 V HN 0.223 nan 8.190 nan 0.000 0.454 197 I N 0.252 120.900 120.570 0.129 0.000 2.315 197 I HA -0.175 3.994 4.170 -0.001 0.000 0.248 197 I C 2.568 178.722 176.117 0.062 0.000 1.117 197 I CA 1.511 62.888 61.300 0.127 0.000 1.404 197 I CB -1.201 36.873 38.000 0.125 0.000 1.071 197 I HN 0.314 nan 8.210 nan 0.000 0.419 198 R N 0.857 121.389 120.500 0.053 0.000 2.105 198 R HA -0.153 4.186 4.340 -0.001 0.000 0.239 198 R C 2.327 178.635 176.300 0.015 0.000 1.135 198 R CA 1.723 57.844 56.100 0.036 0.000 0.967 198 R CB -0.388 29.945 30.300 0.055 0.000 0.861 198 R HN 0.409 nan 8.270 nan 0.000 0.442 199 G N 0.314 109.127 108.800 0.022 0.000 2.408 199 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.215 199 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.215 199 G C 1.433 176.274 174.900 -0.098 0.000 1.156 199 G CA 0.125 45.183 45.100 -0.070 0.000 0.793 199 G HN 0.192 nan 8.290 nan 0.000 0.535 200 L N -0.257 120.947 121.223 -0.031 0.000 2.093 200 L HA 0.036 4.376 4.340 -0.001 0.000 0.208 200 L C 2.894 179.750 176.870 -0.024 0.000 1.085 200 L CA 0.932 55.763 54.840 -0.014 0.000 0.755 200 L CB -0.296 41.793 42.059 0.050 0.000 0.904 200 L HN 0.179 nan 8.230 nan 0.000 0.435 201 R N 0.204 120.691 120.500 -0.021 0.000 2.148 201 R HA -0.163 4.177 4.340 -0.001 0.000 0.227 201 R C 2.246 178.506 176.300 -0.066 0.000 1.103 201 R CA 0.895 56.979 56.100 -0.027 0.000 0.983 201 R CB -0.043 30.248 30.300 -0.015 0.000 0.874 201 R HN 0.196 nan 8.270 nan 0.000 0.451 202 L N 0.799 121.948 121.223 -0.124 0.000 2.141 202 L HA -0.081 4.259 4.340 -0.001 0.000 0.209 202 L C 1.901 178.690 176.870 -0.135 0.000 1.094 202 L CA 1.398 56.101 54.840 -0.229 0.000 0.763 202 L CB -0.121 41.724 42.059 -0.356 0.000 0.908 202 L HN 0.204 nan 8.230 nan 0.000 0.437 203 L N -1.192 119.971 121.223 -0.101 0.000 2.056 203 L HA -0.209 4.131 4.340 -0.001 0.000 0.207 203 L C 2.391 179.255 176.870 -0.010 0.000 1.078 203 L CA 1.302 56.110 54.840 -0.053 0.000 0.749 203 L CB -0.400 41.623 42.059 -0.060 0.000 0.901 203 L HN 0.228 nan 8.230 nan 0.000 0.433 204 I N -0.091 120.473 120.570 -0.009 0.000 2.454 204 I HA -0.258 3.912 4.170 -0.001 0.000 0.254 204 I C 2.016 178.145 176.117 0.021 0.000 1.156 204 I CA 0.823 62.130 61.300 0.012 0.000 1.433 204 I CB -0.408 37.598 38.000 0.011 0.000 1.082 204 I HN 0.354 nan 8.210 nan 0.000 0.432 205 N N 0.966 119.676 118.700 0.017 0.000 2.171 205 N HA -0.076 4.664 4.740 -0.001 0.000 0.184 205 N C 1.846 177.398 175.510 0.070 0.000 1.021 205 N CA 1.342 54.420 53.050 0.047 0.000 0.854 205 N CB -0.202 38.321 38.487 0.059 0.000 0.994 205 N HN 0.323 nan 8.380 nan 0.000 0.426 206 M N -0.405 119.250 119.600 0.093 0.000 2.476 206 M HA 0.055 4.535 4.480 -0.001 0.000 0.262 206 M C 1.619 177.946 176.300 0.046 0.000 1.079 206 M CA 0.845 56.197 55.300 0.085 0.000 1.104 206 M CB 0.096 32.766 32.600 0.116 0.000 1.409 206 M HN 0.132 nan 8.290 nan 0.000 0.467 207 A N -0.001 122.847 122.820 0.047 0.000 2.108 207 A HA 0.530 4.850 4.320 -0.001 0.000 0.206 207 A C 1.127 178.739 177.584 0.047 0.000 1.212 207 A CA 0.679 52.750 52.037 0.057 0.000 0.843 207 A CB 0.009 19.051 19.000 0.071 0.000 0.902 207 A HN 0.486 nan 8.150 nan 0.000 0.477 208 G N -0.296 108.525 108.800 0.035 0.000 2.785 208 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.686 208 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.686 208 G C 0.039 174.963 174.900 0.042 0.000 1.155 208 G CA 0.045 45.163 45.100 0.031 0.000 0.760 208 G HN 0.266 nan 8.290 nan 0.000 0.624 209 E N 0.959 121.181 120.200 0.037 0.000 2.023 209 E HA -0.163 4.187 4.350 -0.001 0.000 0.196 209 E C 2.495 179.130 176.600 0.058 0.000 1.003 209 E CA 1.584 58.010 56.400 0.042 0.000 0.809 209 E CB -0.012 29.709 29.700 0.033 0.000 0.755 209 E HN 0.621 nan 8.360 nan 0.000 0.449 210 K N 0.041 120.473 120.400 0.054 0.000 2.009 210 K HA -0.146 4.174 4.320 -0.001 0.000 0.210 210 K C -0.541 176.130 176.600 0.118 0.000 1.049 210 K CA 1.674 58.006 56.287 0.074 0.000 0.929 210 K CB -0.974 31.549 32.500 0.038 0.000 0.714 210 K HN 0.054 nan 8.250 nan 0.000 0.440 211 P HA -0.174 nan 4.420 nan 0.000 0.215 211 P C 1.484 178.913 177.300 0.215 0.000 1.157 211 P CA 1.826 65.014 63.100 0.146 0.000 0.868 211 P CB -0.028 31.726 31.700 0.090 0.000 0.788 212 S N -1.292 114.494 115.700 0.143 0.000 2.423 212 S HA -0.140 4.330 4.470 -0.001 0.000 0.231 212 S C 1.752 176.417 174.600 0.107 0.000 1.014 212 S CA 0.892 59.163 58.200 0.118 0.000 0.965 212 S CB -0.950 62.294 63.200 0.075 0.000 0.785 212 S HN 0.079 nan 8.310 nan 0.000 0.495 213 Q N -0.248 119.622 119.800 0.117 0.000 2.319 213 Q HA 0.275 4.614 4.340 -0.001 0.000 0.202 213 Q C -0.399 175.672 176.000 0.117 0.000 0.896 213 Q CA -0.127 55.729 55.803 0.089 0.000 0.942 213 Q CB -0.318 28.461 28.738 0.068 0.000 1.083 213 Q HN 0.768 nan 8.270 nan 0.000 0.510 214 Y N 1.276 121.613 120.300 0.060 0.000 2.544 214 Y HA 0.107 4.657 4.550 -0.001 0.000 0.330 214 Y C -0.384 175.542 175.900 0.044 0.000 1.136 214 Y CA -0.215 57.930 58.100 0.076 0.000 1.417 214 Y CB 0.517 39.072 38.460 0.158 0.000 1.229 214 Y HN -0.287 nan 8.280 nan 0.000 0.532 215 V N 9.547 129.064 119.914 -0.661 0.000 2.409 215 V HA 0.334 4.454 4.120 -0.001 0.000 0.291 215 V C -2.019 173.546 176.094 -0.882 0.000 1.020 215 V CA -1.908 60.049 62.300 -0.572 0.000 0.848 215 V CB 1.425 33.069 31.823 -0.300 0.000 0.990 215 V HN 0.752 nan 8.190 nan 0.000 0.430 216 P HA 0.131 nan 4.420 nan 0.000 0.271 216 P C 0.605 177.792 177.300 -0.188 0.000 1.216 216 P CA -0.021 62.883 63.100 -0.326 0.000 0.776 216 P CB 1.438 33.074 31.700 -0.107 0.000 0.881 217 E N 1.846 121.999 120.200 -0.080 0.000 2.085 217 E HA -0.243 4.107 4.350 -0.001 0.000 0.194 217 E C 0.851 177.429 176.600 -0.036 0.000 0.994 217 E CA 1.753 58.128 56.400 -0.043 0.000 0.801 217 E CB -0.014 29.693 29.700 0.012 0.000 0.743 217 E HN 0.519 nan 8.360 nan 0.000 0.453 218 D N -1.216 119.172 120.400 -0.019 0.000 2.363 218 D HA 0.005 4.644 4.640 -0.001 0.000 0.220 218 D C 1.232 177.511 176.300 -0.035 0.000 0.994 218 D CA 0.864 54.855 54.000 -0.015 0.000 0.890 218 D CB -0.197 40.607 40.800 0.006 0.000 0.906 218 D HN 0.309 nan 8.370 nan 0.000 0.530 219 G N 0.661 109.421 108.800 -0.066 0.000 2.160 219 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.251 219 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.251 219 G C -0.248 174.598 174.900 -0.090 0.000 1.008 219 G CA 0.068 45.117 45.100 -0.086 0.000 0.724 219 G HN 0.538 nan 8.290 nan 0.000 0.514 220 D N 0.549 120.900 120.400 -0.082 0.000 2.346 220 D HA 0.500 5.140 4.640 -0.001 0.000 0.267 220 D C 1.516 177.712 176.300 -0.175 0.000 1.320 220 D CA 0.547 54.502 54.000 -0.076 0.000 0.951 220 D CB 0.460 41.233 40.800 -0.046 0.000 1.079 220 D HN 0.467 nan 8.370 nan 0.000 0.509 221 A N 3.926 126.577 122.820 -0.281 0.000 2.209 221 A HA -0.135 4.185 4.320 -0.001 0.000 0.212 221 A C 0.585 177.771 177.584 -0.664 0.000 1.158 221 A CA 0.766 52.492 52.037 -0.519 0.000 0.742 221 A CB -0.276 18.307 19.000 -0.694 0.000 0.790 221 A HN 0.641 nan 8.150 nan 0.000 0.472 222 Y N -2.527 117.731 120.300 -0.070 0.000 2.682 222 Y HA 0.253 4.802 4.550 -0.001 0.000 0.251 222 Y C 1.609 177.370 175.900 -0.231 0.000 1.172 222 Y CA -0.504 57.542 58.100 -0.090 0.000 1.186 222 Y CB -0.304 38.139 38.460 -0.028 0.000 1.216 222 Y HN 0.038 nan 8.280 nan 0.000 0.540 223 V N 1.015 120.781 119.914 -0.246 0.000 2.392 223 V HA -0.318 3.801 4.120 -0.001 0.000 0.249 223 V C 2.158 177.711 176.094 -0.903 0.000 1.059 223 V CA 2.130 64.137 62.300 -0.488 0.000 1.051 223 V CB -0.094 31.432 31.823 -0.495 0.000 0.658 223 V HN 0.450 nan 8.190 nan 0.000 0.455 224 R N -0.147 119.830 120.500 -0.871 0.000 2.193 224 R HA -0.068 4.272 4.340 -0.001 0.000 0.229 224 R C 2.228 178.014 176.300 -0.857 0.000 1.110 224 R CA 1.196 56.766 56.100 -0.883 0.000 0.988 224 R CB -0.464 29.541 30.300 -0.492 0.000 0.871 224 R HN 0.614 nan 8.270 nan 0.000 0.458 225 A N 0.142 122.556 122.820 -0.677 0.000 2.016 225 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 225 A C 2.116 179.513 177.584 -0.312 0.000 1.162 225 A CA 1.376 53.074 52.037 -0.565 0.000 0.662 225 A CB -0.241 18.627 19.000 -0.220 0.000 0.812 225 A HN 0.278 nan 8.150 nan 0.000 0.450 226 S N -1.307 114.216 115.700 -0.294 0.000 2.371 226 S HA -0.134 4.336 4.470 -0.001 0.000 0.224 226 S C 1.792 176.368 174.600 -0.041 0.000 1.029 226 S CA 1.291 59.392 58.200 -0.165 0.000 0.978 226 S CB -0.460 62.656 63.200 -0.139 0.000 0.833 226 S HN 0.663 nan 8.310 nan 0.000 0.466 227 W N 1.098 122.298 121.300 -0.167 0.000 2.355 227 W HA 0.034 4.693 4.660 -0.000 0.000 0.309 227 W C 2.181 178.604 176.519 -0.160 0.000 1.206 227 W CA 0.036 57.292 57.345 -0.149 0.000 1.284 227 W CB -1.786 27.604 29.460 -0.117 0.000 1.145 227 W HN 0.394 nan 8.180 nan 0.000 0.502 228 F N 1.256 121.139 119.950 -0.112 0.000 2.095 228 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 228 F C 2.350 178.007 175.800 -0.238 0.000 1.104 228 F CA 2.358 60.265 58.000 -0.155 0.000 1.232 228 F CB -0.956 37.874 39.000 -0.283 0.000 0.987 228 F HN -0.145 nan 8.300 nan 0.000 0.475 229 A N -0.166 122.407 122.820 -0.412 0.000 1.902 229 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 229 A C 2.123 179.204 177.584 -0.837 0.000 1.181 229 A CA 1.594 53.054 52.037 -0.963 0.000 0.623 229 A CB -0.724 17.931 19.000 -0.575 0.000 0.818 229 A HN 0.497 nan 8.150 nan 0.000 0.443 230 Q N -1.699 117.862 119.800 -0.398 0.000 2.170 230 Q HA -0.001 4.338 4.340 -0.001 0.000 0.203 230 Q C 1.474 177.322 176.000 -0.254 0.000 0.976 230 Q CA 1.499 57.147 55.803 -0.259 0.000 0.858 230 Q CB -0.123 28.549 28.738 -0.111 0.000 0.907 230 Q HN 0.983 nan 8.270 nan 0.000 0.433 231 G N -0.135 108.498 108.800 -0.278 0.000 2.613 231 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.199 231 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.199 231 G C 0.107 174.927 174.900 -0.133 0.000 0.991 231 G CA 0.185 45.156 45.100 -0.215 0.000 0.756 231 G HN 0.255 nan 8.290 nan 0.000 0.515 232 S N 0.678 116.326 115.700 -0.087 0.000 2.564 232 S HA 0.593 5.062 4.470 -0.001 0.000 0.278 232 S C 0.943 175.609 174.600 0.109 0.000 1.333 232 S CA 1.524 59.717 58.200 -0.013 0.000 1.048 232 S CB 0.535 63.720 63.200 -0.025 0.000 0.900 232 S HN 2.239 nan 8.310 nan 0.000 0.505 233 G N 3.408 112.276 108.800 0.113 0.000 2.819 233 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.682 233 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.682 233 G C 0.065 175.121 174.900 0.260 0.000 1.481 233 G CA 0.273 45.496 45.100 0.206 0.000 0.904 233 G HN 0.810 nan 8.290 nan 0.000 0.563 234 R N 0.520 121.173 120.500 0.255 0.000 2.128 234 R HA 0.624 4.963 4.340 -0.001 0.000 0.211 234 R C 1.337 177.882 176.300 0.408 0.000 1.067 234 R CA 2.372 58.630 56.100 0.262 0.000 1.010 234 R CB -0.058 30.335 30.300 0.155 0.000 0.922 234 R HN 1.915 nan 8.270 nan 0.000 0.457 235 A N -0.631 122.407 122.820 0.363 0.000 2.572 235 A HA 0.602 4.921 4.320 -0.001 0.000 0.295 235 A C -1.852 175.814 177.584 0.137 0.000 1.072 235 A CA -0.625 51.575 52.037 0.273 0.000 0.691 235 A CB 1.110 20.215 19.000 0.173 0.000 1.291 235 A HN 0.148 nan 8.150 nan 0.000 0.404 236 F N 1.403 121.162 119.950 -0.319 0.000 2.547 236 F HA 0.748 5.274 4.527 -0.001 0.000 0.316 236 F C -1.400 174.352 175.800 -0.081 0.000 1.121 236 F CA -1.479 56.328 58.000 -0.322 0.000 0.911 236 F CB 1.312 39.800 39.000 -0.853 0.000 1.179 236 F HN 0.422 nan 8.300 nan 0.000 0.443 237 I N 6.237 126.535 120.570 -0.455 0.000 2.382 237 I HA 0.689 4.858 4.170 -0.001 0.000 0.285 237 I C 0.173 175.828 176.117 -0.769 0.000 1.007 237 I CA -0.345 60.649 61.300 -0.511 0.000 1.142 237 I CB 1.120 38.970 38.000 -0.250 0.000 1.289 237 I HN 0.799 nan 8.210 nan 0.000 0.453 238 G N 4.517 112.830 108.800 -0.812 0.000 2.706 238 G HA2 0.485 4.445 3.960 -0.001 0.000 0.307 238 G HA3 0.485 4.445 3.960 -0.001 0.000 0.307 238 G C -1.743 172.975 174.900 -0.304 0.000 1.307 238 G CA -0.441 44.243 45.100 -0.693 0.000 0.790 238 G HN 0.198 nan 8.290 nan 0.000 0.503 239 Y N 0.658 120.998 120.300 0.067 0.000 2.316 239 Y HA 0.369 4.919 4.550 -0.000 0.000 0.324 239 Y C 2.216 178.228 175.900 0.186 0.000 1.267 239 Y CA -0.246 57.919 58.100 0.108 0.000 1.311 239 Y CB 1.490 40.037 38.460 0.146 0.000 1.267 239 Y HN 0.551 nan 8.280 nan 0.000 0.516 240 S N -0.070 115.798 115.700 0.281 0.000 2.382 240 S HA -0.219 4.250 4.470 -0.001 0.000 0.228 240 S C 1.349 176.031 174.600 0.137 0.000 1.027 240 S CA 1.384 59.675 58.200 0.152 0.000 0.991 240 S CB -0.529 62.672 63.200 0.002 0.000 0.823 240 S HN 0.817 nan 8.310 nan 0.000 0.469 241 E N 1.598 121.910 120.200 0.186 0.000 2.463 241 E HA -0.076 4.273 4.350 -0.001 0.000 0.201 241 E C 1.459 178.024 176.600 -0.058 0.000 1.045 241 E CA 1.083 57.546 56.400 0.105 0.000 0.872 241 E CB -0.683 29.076 29.700 0.098 0.000 0.797 241 E HN 0.555 nan 8.360 nan 0.000 0.538 242 S N 0.829 116.552 115.700 0.039 0.000 2.423 242 S HA 0.006 4.475 4.470 -0.001 0.000 0.231 242 S C 1.830 176.340 174.600 -0.150 0.000 1.014 242 S CA 0.882 59.082 58.200 0.000 0.000 0.965 242 S CB -0.217 63.085 63.200 0.169 0.000 0.785 242 S HN 0.298 nan 8.310 nan 0.000 0.495 243 M N 0.591 120.065 119.600 -0.211 0.000 2.358 243 M HA -0.075 4.405 4.480 -0.001 0.000 0.264 243 M C 2.198 178.399 176.300 -0.164 0.000 1.064 243 M CA 1.075 56.183 55.300 -0.320 0.000 1.093 243 M CB -0.362 31.856 32.600 -0.636 0.000 1.401 243 M HN 0.390 nan 8.290 nan 0.000 0.440 244 M N -0.202 119.410 119.600 0.021 0.000 2.132 244 M HA -0.218 4.262 4.480 -0.001 0.000 0.263 244 M C 2.092 178.343 176.300 -0.081 0.000 1.065 244 M CA 1.702 57.060 55.300 0.096 0.000 1.122 244 M CB -0.149 32.486 32.600 0.059 0.000 1.365 244 M HN 0.035 nan 8.290 nan 0.000 0.411 245 R N 0.641 121.064 120.500 -0.128 0.000 2.152 245 R HA -0.029 4.311 4.340 -0.001 0.000 0.232 245 R C 1.700 177.912 176.300 -0.146 0.000 1.117 245 R CA 1.715 57.745 56.100 -0.116 0.000 0.981 245 R CB -0.683 29.565 30.300 -0.086 0.000 0.870 245 R HN 0.496 nan 8.270 nan 0.000 0.451 246 M N -0.636 118.868 119.600 -0.161 0.000 2.557 246 M HA 0.096 4.576 4.480 -0.001 0.000 0.259 246 M C 1.475 177.653 176.300 -0.203 0.000 1.086 246 M CA 0.846 56.074 55.300 -0.120 0.000 1.096 246 M CB -0.299 32.278 32.600 -0.038 0.000 1.424 246 M HN 0.388 nan 8.290 nan 0.000 0.488 247 G N 1.476 109.999 108.800 -0.461 0.000 2.634 247 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.318 247 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.318 247 G C 0.406 174.898 174.900 -0.680 0.000 1.207 247 G CA 0.689 45.149 45.100 -1.067 0.000 0.987 247 G HN 0.405 nan 8.290 nan 0.000 0.547 248 D N -0.532 119.707 120.400 -0.270 0.000 2.312 248 D HA 0.033 4.673 4.640 -0.001 0.000 0.211 248 D C 1.821 178.148 176.300 0.045 0.000 0.964 248 D CA 1.160 55.177 54.000 0.029 0.000 0.877 248 D CB -0.090 40.785 40.800 0.125 0.000 0.924 248 D HN 0.408 nan 8.370 nan 0.000 0.515 249 Y N 1.429 121.666 120.300 -0.104 0.000 2.571 249 Y HA 0.030 4.580 4.550 -0.001 0.000 0.294 249 Y C 2.140 178.001 175.900 -0.065 0.000 1.141 249 Y CA 0.421 58.475 58.100 -0.076 0.000 1.308 249 Y CB -0.060 38.343 38.460 -0.096 0.000 1.002 249 Y HN -0.064 nan 8.280 nan 0.000 0.551 250 A N 0.163 122.955 122.820 -0.047 0.000 1.986 250 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 250 A C 1.933 179.462 177.584 -0.092 0.000 1.171 250 A CA 2.055 54.027 52.037 -0.109 0.000 0.640 250 A CB -0.517 18.370 19.000 -0.188 0.000 0.811 250 A HN 0.612 nan 8.150 nan 0.000 0.451 251 E N -0.438 119.717 120.200 -0.075 0.000 2.481 251 E HA -0.049 4.301 4.350 -0.001 0.000 0.195 251 E C 1.277 177.787 176.600 -0.150 0.000 1.047 251 E CA 0.377 56.746 56.400 -0.052 0.000 0.867 251 E CB 0.101 29.808 29.700 0.012 0.000 0.858 251 E HN 0.612 nan 8.360 nan 0.000 0.513 252 Q N 0.096 119.694 119.800 -0.336 0.000 2.319 252 Q HA 0.084 4.424 4.340 -0.001 0.000 0.202 252 Q C 0.616 176.360 176.000 -0.427 0.000 0.896 252 Q CA 0.209 55.715 55.803 -0.495 0.000 0.942 252 Q CB 0.927 29.071 28.738 -0.990 0.000 1.083 252 Q HN 0.178 nan 8.270 nan 0.000 0.510 253 V N -2.010 117.759 119.914 -0.241 0.000 2.960 253 V HA 0.726 4.846 4.120 -0.001 0.000 0.315 253 V C -0.507 175.532 176.094 -0.092 0.000 1.087 253 V CA -1.176 61.095 62.300 -0.049 0.000 0.982 253 V CB 2.598 34.593 31.823 0.286 0.000 1.039 253 V HN -0.099 nan 8.190 nan 0.000 0.437 254 R N 1.645 121.944 120.500 -0.334 0.000 2.832 254 R HA 0.783 5.122 4.340 -0.001 0.000 0.271 254 R C -1.149 174.872 176.300 -0.464 0.000 0.996 254 R CA -0.351 55.358 56.100 -0.652 0.000 0.977 254 R CB 1.884 31.535 30.300 -1.082 0.000 1.168 254 R HN 0.937 nan 8.270 nan 0.000 0.482 255 F N -1.337 118.463 119.950 -0.251 0.000 2.662 255 F HA 0.718 5.244 4.527 -0.001 0.000 0.312 255 F C -0.836 174.892 175.800 -0.120 0.000 1.113 255 F CA -1.211 56.618 58.000 -0.286 0.000 0.951 255 F CB 1.624 40.253 39.000 -0.618 0.000 1.344 255 F HN 0.432 nan 8.300 nan 0.000 0.462 256 K N -0.335 120.110 120.400 0.076 0.000 2.610 256 K HA 0.558 4.877 4.320 -0.001 0.000 0.278 256 K C -3.675 172.912 176.600 -0.022 0.000 0.964 256 K CA -1.906 54.413 56.287 0.052 0.000 0.859 256 K CB 1.877 34.411 32.500 0.057 0.000 1.434 256 K HN 0.308 nan 8.250 nan 0.000 0.410 257 P HA 0.193 nan 4.420 nan 0.000 0.271 257 P C -0.752 176.505 177.300 -0.072 0.000 1.216 257 P CA -0.375 62.682 63.100 -0.071 0.000 0.776 257 P CB 0.375 32.046 31.700 -0.049 0.000 0.881 258 I N 1.397 121.908 120.570 -0.098 0.000 2.436 258 I HA 0.218 4.388 4.170 -0.001 0.000 0.289 258 I C 0.475 176.539 176.117 -0.088 0.000 1.010 258 I CA -0.623 60.625 61.300 -0.087 0.000 1.098 258 I CB 1.464 39.405 38.000 -0.099 0.000 1.266 258 I HN 0.247 nan 8.210 nan 0.000 0.434 259 S N 3.260 118.923 115.700 -0.062 0.000 2.565 259 S HA 0.234 4.704 4.470 -0.001 0.000 0.276 259 S C 1.067 175.633 174.600 -0.057 0.000 1.326 259 S CA -0.216 57.955 58.200 -0.049 0.000 1.045 259 S CB 0.727 63.918 63.200 -0.015 0.000 0.918 259 S HN 0.601 nan 8.310 nan 0.000 0.505 260 S N 2.703 118.367 115.700 -0.060 0.000 2.528 260 S HA 0.118 4.588 4.470 -0.001 0.000 0.219 260 S C 0.873 175.485 174.600 0.020 0.000 0.985 260 S CA -0.091 58.063 58.200 -0.077 0.000 0.914 260 S CB 0.059 63.205 63.200 -0.090 0.000 0.776 260 S HN 0.626 nan 8.310 nan 0.000 0.526 261 S N 0.084 115.833 115.700 0.083 0.000 2.721 261 S HA 0.748 5.218 4.470 -0.001 0.000 0.296 261 S C 0.582 175.321 174.600 0.232 0.000 1.093 261 S CA -0.028 58.276 58.200 0.174 0.000 0.959 261 S CB 1.217 64.454 63.200 0.063 0.000 1.301 261 S HN 0.172 nan 8.310 nan 0.000 0.550 262 A N -0.735 122.151 122.820 0.110 0.000 2.469 262 A HA 0.613 4.932 4.320 -0.001 0.000 0.245 262 A C 0.845 178.435 177.584 0.010 0.000 1.221 262 A CA 0.572 52.638 52.037 0.048 0.000 0.946 262 A CB -0.389 18.540 19.000 -0.118 0.000 1.049 262 A HN 0.826 nan 8.150 nan 0.000 0.529 263 G N -0.751 108.054 108.800 0.008 0.000 3.267 263 G HA2 0.370 4.330 3.960 -0.001 0.000 0.200 263 G HA3 0.370 4.330 3.960 -0.001 0.000 0.200 263 G C -0.416 174.483 174.900 -0.001 0.000 1.603 263 G CA -0.352 44.746 45.100 -0.004 0.000 0.753 263 G HN 0.250 nan 8.290 nan 0.000 0.755 264 Q N 1.337 121.133 119.800 -0.006 0.000 2.286 264 Q HA 0.251 4.591 4.340 -0.001 0.000 0.265 264 Q C -1.257 174.739 176.000 -0.006 0.000 1.080 264 Q CA -0.017 55.782 55.803 -0.007 0.000 0.906 264 Q CB 1.231 29.964 28.738 -0.009 0.000 1.227 264 Q HN 0.407 nan 8.270 nan 0.000 0.409 265 D N 2.750 123.144 120.400 -0.010 0.000 2.210 265 D HA 0.315 4.955 4.640 -0.001 0.000 0.249 265 D C -0.922 175.366 176.300 -0.019 0.000 1.062 265 D CA -0.404 53.587 54.000 -0.015 0.000 0.891 265 D CB 0.825 41.612 40.800 -0.021 0.000 1.186 265 D HN 0.375 nan 8.370 nan 0.000 0.432 266 I N 5.152 125.713 120.570 -0.016 0.000 2.359 266 I HA 0.279 4.449 4.170 -0.001 0.000 0.284 266 I C -2.059 174.046 176.117 -0.020 0.000 1.018 266 I CA -2.100 59.192 61.300 -0.013 0.000 1.173 266 I CB 1.733 39.752 38.000 0.032 0.000 1.326 266 I HN 0.246 nan 8.210 nan 0.000 0.462 267 P HA 0.182 nan 4.420 nan 0.000 0.270 267 P C -0.814 176.523 177.300 0.061 0.000 1.242 267 P CA 0.108 63.203 63.100 -0.009 0.000 0.768 267 P CB 0.827 32.566 31.700 0.065 0.000 0.820 268 L N 4.696 125.890 121.223 -0.049 0.000 2.322 268 L HA 0.510 4.849 4.340 -0.001 0.000 0.279 268 L C -0.025 176.798 176.870 -0.078 0.000 1.036 268 L CA -0.763 54.095 54.840 0.031 0.000 0.807 268 L CB 0.743 42.734 42.059 -0.113 0.000 1.226 268 L HN 0.245 nan 8.230 nan 0.000 0.433 269 F N 0.834 120.831 119.950 0.078 0.000 2.529 269 F HA 0.422 4.949 4.527 -0.001 0.000 0.320 269 F C -0.296 175.620 175.800 0.193 0.000 1.118 269 F CA -0.755 57.351 58.000 0.177 0.000 0.915 269 F CB 1.329 40.517 39.000 0.315 0.000 1.161 269 F HN 0.166 nan 8.300 nan 0.000 0.445 270 Y N 1.039 121.525 120.300 0.310 0.000 2.359 270 Y HA 0.389 4.939 4.550 -0.001 0.000 0.330 270 Y C 0.618 176.628 175.900 0.182 0.000 1.143 270 Y CA 0.128 58.377 58.100 0.247 0.000 1.318 270 Y CB 1.345 39.899 38.460 0.156 0.000 1.234 270 Y HN 0.478 nan 8.280 nan 0.000 0.522 271 S N 2.927 118.781 115.700 0.256 0.000 2.605 271 S HA 0.345 4.815 4.470 -0.001 0.000 0.308 271 S C -1.487 173.128 174.600 0.025 0.000 1.113 271 S CA -1.014 57.255 58.200 0.115 0.000 1.049 271 S CB 0.380 63.622 63.200 0.070 0.000 1.001 271 S HN 0.567 nan 8.310 nan 0.000 0.480 272 D N 3.991 124.350 120.400 -0.069 0.000 2.373 272 D HA 0.339 4.978 4.640 -0.001 0.000 0.227 272 D C 0.234 176.506 176.300 -0.047 0.000 1.091 272 D CA -0.156 53.752 54.000 -0.154 0.000 0.840 272 D CB 1.605 42.116 40.800 -0.482 0.000 1.060 272 D HN 0.458 nan 8.370 nan 0.000 0.502 273 V N -0.168 119.763 119.914 0.029 0.000 2.630 273 V HA 0.573 4.692 4.120 -0.001 0.000 0.305 273 V C 0.128 176.275 176.094 0.089 0.000 1.046 273 V CA -0.838 61.488 62.300 0.043 0.000 0.934 273 V CB 1.723 33.582 31.823 0.060 0.000 1.003 273 V HN 0.168 nan 8.190 nan 0.000 0.451 274 V N 3.591 123.523 119.914 0.030 0.000 2.465 274 V HA 0.615 4.734 4.120 -0.001 0.000 0.279 274 V C 0.461 176.561 176.094 0.011 0.000 1.045 274 V CA 0.184 62.497 62.300 0.021 0.000 0.938 274 V CB 0.787 32.607 31.823 -0.006 0.000 0.986 274 V HN 1.102 nan 8.190 nan 0.000 0.467 275 S N 2.661 118.279 115.700 -0.135 0.000 2.632 275 S HA 0.779 5.249 4.470 -0.001 0.000 0.289 275 S C -0.685 173.582 174.600 -0.554 0.000 1.115 275 S CA -0.673 57.431 58.200 -0.159 0.000 0.889 275 S CB 2.230 65.412 63.200 -0.030 0.000 1.116 275 S HN 0.455 nan 8.310 nan 0.000 0.486 276 V N 2.386 122.120 119.914 -0.301 0.000 2.555 276 V HA 0.440 4.560 4.120 -0.001 0.000 0.302 276 V C 0.025 176.015 176.094 -0.173 0.000 1.038 276 V CA -1.015 61.093 62.300 -0.319 0.000 0.887 276 V CB 1.700 33.360 31.823 -0.272 0.000 0.991 276 V HN 0.810 nan 8.190 nan 0.000 0.434 277 N N 2.288 120.947 118.700 -0.069 0.000 2.513 277 N HA 0.017 4.756 4.740 -0.001 0.000 0.268 277 N C 1.388 176.908 175.510 0.016 0.000 1.180 277 N CA 0.670 53.774 53.050 0.089 0.000 0.948 277 N CB 1.650 40.202 38.487 0.107 0.000 1.083 277 N HN 0.845 nan 8.380 nan 0.000 0.455 278 S N 2.762 118.491 115.700 0.047 0.000 2.515 278 S HA 0.002 4.471 4.470 -0.001 0.000 0.231 278 S C 0.952 175.551 174.600 -0.003 0.000 0.987 278 S CA 0.807 59.019 58.200 0.020 0.000 0.936 278 S CB 0.009 63.237 63.200 0.047 0.000 0.766 278 S HN 0.592 nan 8.310 nan 0.000 0.528 279 K N 1.280 121.679 120.400 -0.002 0.000 2.387 279 K HA 0.158 4.477 4.320 -0.001 0.000 0.198 279 K C 0.481 177.060 176.600 -0.036 0.000 1.022 279 K CA -0.026 56.249 56.287 -0.020 0.000 1.128 279 K CB 0.265 32.753 32.500 -0.020 0.000 0.853 279 K HN 0.306 nan 8.250 nan 0.000 0.523 280 T N -0.051 114.481 114.554 -0.038 0.000 2.930 280 T HA 0.166 4.516 4.350 -0.001 0.000 0.306 280 T C 1.039 175.690 174.700 -0.080 0.000 1.045 280 T CA -0.206 61.868 62.100 -0.042 0.000 1.134 280 T CB 1.087 69.936 68.868 -0.031 0.000 0.961 280 T HN 0.273 nan 8.240 nan 0.000 0.545 281 A N 4.169 126.918 122.820 -0.118 0.000 2.251 281 A HA 0.158 4.478 4.320 -0.001 0.000 0.209 281 A C 0.681 177.918 177.584 -0.579 0.000 1.187 281 A CA 0.366 52.218 52.037 -0.308 0.000 0.823 281 A CB 0.006 18.802 19.000 -0.340 0.000 0.846 281 A HN 0.905 nan 8.150 nan 0.000 0.486 282 H N -0.508 118.546 119.070 -0.027 0.000 2.429 282 H HA 0.158 4.714 4.556 -0.001 0.000 0.231 282 H C -2.192 173.117 175.328 -0.031 0.000 1.416 282 H CA -1.217 54.820 56.048 -0.018 0.000 1.443 282 H CB 0.830 30.593 29.762 0.001 0.000 1.591 282 H HN 0.285 nan 8.280 nan 0.000 0.507 283 P HA -0.147 nan 4.420 nan 0.000 0.216 283 P C 1.254 178.538 177.300 -0.027 0.000 1.153 283 P CA 1.104 64.181 63.100 -0.039 0.000 0.848 283 P CB 0.786 32.444 31.700 -0.070 0.000 0.787 284 E N -0.555 119.653 120.200 0.013 0.000 2.152 284 E HA -0.065 4.285 4.350 -0.001 0.000 0.192 284 E C 2.071 178.715 176.600 0.072 0.000 0.983 284 E CA 0.482 56.898 56.400 0.026 0.000 0.818 284 E CB -0.854 28.863 29.700 0.029 0.000 0.758 284 E HN 0.164 nan 8.360 nan 0.000 0.467 285 L N 0.838 122.126 121.223 0.109 0.000 2.072 285 L HA 0.014 4.353 4.340 -0.001 0.000 0.205 285 L C 2.176 179.140 176.870 0.157 0.000 1.079 285 L CA 1.674 56.616 54.840 0.170 0.000 0.752 285 L CB -0.960 41.197 42.059 0.164 0.000 0.906 285 L HN 0.016 nan 8.230 nan 0.000 0.436 286 A N -0.960 121.902 122.820 0.070 0.000 1.933 286 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 286 A C 2.318 179.905 177.584 0.005 0.000 1.175 286 A CA 1.689 53.719 52.037 -0.012 0.000 0.628 286 A CB -0.433 18.539 19.000 -0.046 0.000 0.814 286 A HN 0.422 nan 8.150 nan 0.000 0.444 287 K N -0.521 119.886 120.400 0.012 0.000 2.211 287 K HA -0.117 4.203 4.320 -0.001 0.000 0.203 287 K C 2.118 178.831 176.600 0.187 0.000 1.050 287 K CA 1.442 57.773 56.287 0.073 0.000 0.945 287 K CB -0.068 32.413 32.500 -0.032 0.000 0.732 287 K HN 0.514 nan 8.250 nan 0.000 0.451 288 K N 0.927 121.427 120.400 0.167 0.000 2.062 288 K HA -0.103 4.216 4.320 -0.001 0.000 0.205 288 K C 2.072 178.836 176.600 0.272 0.000 1.051 288 K CA 0.640 57.060 56.287 0.221 0.000 0.941 288 K CB 0.006 32.654 32.500 0.247 0.000 0.719 288 K HN -0.013 nan 8.250 nan 0.000 0.440 289 L N 1.032 122.374 121.223 0.198 0.000 2.083 289 L HA -0.037 4.303 4.340 -0.001 0.000 0.209 289 L C 2.093 178.948 176.870 -0.025 0.000 1.083 289 L CA 1.960 56.758 54.840 -0.070 0.000 0.752 289 L CB -0.635 41.090 42.059 -0.557 0.000 0.899 289 L HN 0.196 nan 8.230 nan 0.000 0.433 290 A N -0.510 122.333 122.820 0.037 0.000 1.933 290 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 290 A C 2.177 179.791 177.584 0.049 0.000 1.175 290 A CA 1.782 53.854 52.037 0.060 0.000 0.628 290 A CB -0.778 18.350 19.000 0.213 0.000 0.814 290 A HN 0.617 nan 8.150 nan 0.000 0.444 291 N N 0.018 118.772 118.700 0.091 0.000 2.244 291 N HA -0.100 4.639 4.740 -0.001 0.000 0.183 291 N C 1.739 177.294 175.510 0.074 0.000 1.016 291 N CA 1.477 54.562 53.050 0.058 0.000 0.866 291 N CB -0.145 38.395 38.487 0.088 0.000 0.980 291 N HN 0.286 nan 8.380 nan 0.000 0.430 292 V N 1.662 121.650 119.914 0.124 0.000 2.270 292 V HA -0.160 3.959 4.120 -0.001 0.000 0.245 292 V C 2.347 178.506 176.094 0.108 0.000 1.043 292 V CA 1.289 63.680 62.300 0.151 0.000 1.014 292 V CB -0.364 31.630 31.823 0.285 0.000 0.645 292 V HN 0.258 nan 8.190 nan 0.000 0.447 293 M N -0.141 119.508 119.600 0.082 0.000 2.346 293 M HA -0.115 4.364 4.480 -0.001 0.000 0.263 293 M C 1.815 178.168 176.300 0.089 0.000 1.064 293 M CA 1.832 57.188 55.300 0.094 0.000 1.083 293 M CB -0.328 32.316 32.600 0.074 0.000 1.399 293 M HN 0.399 nan 8.290 nan 0.000 0.435 294 A N -0.423 122.425 122.820 0.047 0.000 2.390 294 A HA 0.181 4.500 4.320 -0.001 0.000 0.232 294 A C 1.005 178.596 177.584 0.013 0.000 1.233 294 A CA -0.183 51.867 52.037 0.021 0.000 0.907 294 A CB -0.145 18.834 19.000 -0.035 0.000 0.967 294 A HN 0.424 nan 8.150 nan 0.000 0.512 295 S N -0.661 115.056 115.700 0.028 0.000 2.584 295 S HA 0.477 4.947 4.470 -0.001 0.000 0.270 295 S C 1.326 175.931 174.600 0.008 0.000 1.346 295 S CA -0.011 58.202 58.200 0.021 0.000 1.018 295 S CB 1.288 64.511 63.200 0.037 0.000 0.899 295 S HN 0.899 nan 8.310 nan 0.000 0.542 296 A N 1.504 124.324 122.820 -0.000 0.000 1.908 296 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 296 A C 1.822 179.387 177.584 -0.031 0.000 1.181 296 A CA 1.747 53.774 52.037 -0.018 0.000 0.627 296 A CB -1.049 17.947 19.000 -0.006 0.000 0.818 296 A HN 0.892 nan 8.150 nan 0.000 0.445 297 D N -0.571 119.820 120.400 -0.015 0.000 2.097 297 D HA -0.096 4.544 4.640 -0.001 0.000 0.195 297 D C 2.063 178.344 176.300 -0.031 0.000 0.989 297 D CA 1.890 55.878 54.000 -0.020 0.000 0.827 297 D CB -0.771 40.028 40.800 -0.001 0.000 0.966 297 D HN 0.389 nan 8.370 nan 0.000 0.456 298 T N 0.723 115.272 114.554 -0.007 0.000 2.652 298 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 298 T C 2.247 176.906 174.700 -0.069 0.000 1.039 298 T CA 1.006 63.102 62.100 -0.006 0.000 1.153 298 T CB -0.420 68.480 68.868 0.053 0.000 0.863 298 T HN -0.040 nan 8.240 nan 0.000 0.428 299 V N 1.313 121.195 119.914 -0.054 0.000 2.490 299 V HA -0.132 3.988 4.120 -0.001 0.000 0.250 299 V C 2.497 178.476 176.094 -0.191 0.000 1.061 299 V CA 1.633 63.873 62.300 -0.100 0.000 1.064 299 V CB -0.539 31.270 31.823 -0.024 0.000 0.670 299 V HN 0.538 nan 8.190 nan 0.000 0.461 300 E N -0.098 120.008 120.200 -0.156 0.000 2.047 300 E HA -0.281 4.068 4.350 -0.001 0.000 0.191 300 E C 2.305 178.795 176.600 -0.182 0.000 0.987 300 E CA 1.393 57.686 56.400 -0.178 0.000 0.799 300 E CB -0.061 29.563 29.700 -0.127 0.000 0.752 300 E HN 0.665 nan 8.360 nan 0.000 0.449 301 Q N -0.321 119.388 119.800 -0.153 0.000 2.170 301 Q HA -0.132 4.207 4.340 -0.001 0.000 0.203 301 Q C 1.822 177.690 176.000 -0.220 0.000 0.976 301 Q CA 1.239 56.956 55.803 -0.144 0.000 0.858 301 Q CB -0.033 28.648 28.738 -0.096 0.000 0.907 301 Q HN 0.299 nan 8.270 nan 0.000 0.433 302 A N -0.002 122.610 122.820 -0.347 0.000 2.021 302 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 302 A C 1.812 179.072 177.584 -0.539 0.000 1.163 302 A CA 0.474 52.157 52.037 -0.591 0.000 0.676 302 A CB -0.150 18.131 19.000 -1.198 0.000 0.818 302 A HN 0.391 nan 8.150 nan 0.000 0.453 303 L N -1.025 119.958 121.223 -0.400 0.000 2.307 303 L HA 0.089 4.429 4.340 -0.001 0.000 0.211 303 L C 1.181 177.885 176.870 -0.277 0.000 1.099 303 L CA 0.109 54.775 54.840 -0.291 0.000 0.816 303 L CB -0.261 41.641 42.059 -0.262 0.000 0.952 303 L HN 0.233 nan 8.230 nan 0.000 0.455 304 R N 1.221 121.576 120.500 -0.241 0.000 2.582 304 R HA 0.192 4.532 4.340 -0.001 0.000 0.271 304 R C -2.188 174.019 176.300 -0.154 0.000 1.078 304 R CA -1.653 54.337 56.100 -0.183 0.000 1.127 304 R CB 0.301 30.551 30.300 -0.084 0.000 1.038 304 R HN -0.102 nan 8.270 nan 0.000 0.500 305 P HA 0.023 nan 4.420 nan 0.000 0.280 305 P C -0.589 176.672 177.300 -0.065 0.000 1.244 305 P CA -0.153 62.888 63.100 -0.097 0.000 0.784 305 P CB 1.322 32.963 31.700 -0.099 0.000 0.913 306 Q N 1.777 121.539 119.800 -0.064 0.000 2.159 306 Q HA 0.157 4.497 4.340 -0.001 0.000 0.194 306 Q C 1.069 177.045 176.000 -0.040 0.000 0.968 306 Q CA 0.962 56.736 55.803 -0.049 0.000 0.837 306 Q CB -0.504 28.204 28.738 -0.049 0.000 0.920 306 Q HN 0.606 nan 8.270 nan 0.000 0.485 307 A N 1.342 124.137 122.820 -0.042 0.000 2.242 307 A HA 0.345 4.664 4.320 -0.001 0.000 0.304 307 A C -0.484 177.069 177.584 -0.051 0.000 1.100 307 A CA -0.592 51.422 52.037 -0.037 0.000 0.860 307 A CB 0.261 19.244 19.000 -0.028 0.000 1.168 307 A HN 0.060 nan 8.150 nan 0.000 0.503 308 D N -0.458 119.915 120.400 -0.046 0.000 2.362 308 D HA 0.413 5.052 4.640 -0.001 0.000 0.242 308 D C 1.186 177.438 176.300 -0.080 0.000 1.132 308 D CA 1.551 55.515 54.000 -0.060 0.000 0.907 308 D CB 0.701 41.478 40.800 -0.039 0.000 1.195 308 D HN 1.174 nan 8.370 nan 0.000 0.429 309 G N 0.986 109.706 108.800 -0.134 0.000 2.159 309 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.256 309 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.256 309 G C 0.239 175.002 174.900 -0.227 0.000 0.977 309 G CA 0.060 45.065 45.100 -0.157 0.000 0.652 309 G HN 0.512 nan 8.290 nan 0.000 0.531 310 Q N -0.828 118.821 119.800 -0.252 0.000 2.235 310 Q HA 0.674 5.014 4.340 -0.001 0.000 0.256 310 Q C -0.663 175.118 176.000 -0.365 0.000 0.951 310 Q CA -0.669 55.023 55.803 -0.185 0.000 0.890 310 Q CB 1.145 29.829 28.738 -0.091 0.000 1.279 310 Q HN 0.384 nan 8.270 nan 0.000 0.444 311 Y N 0.432 120.724 120.300 -0.013 0.000 2.587 311 Y HA 0.400 4.950 4.550 -0.001 0.000 0.337 311 Y C -2.037 173.761 175.900 -0.170 0.000 1.065 311 Y CA -2.540 55.542 58.100 -0.031 0.000 1.126 311 Y CB 0.826 39.327 38.460 0.069 0.000 1.279 311 Y HN 0.508 nan 8.280 nan 0.000 0.489 312 P HA 0.062 nan 4.420 nan 0.000 0.269 312 P C -0.039 177.025 177.300 -0.392 0.000 1.215 312 P CA 0.018 62.774 63.100 -0.573 0.000 0.780 312 P CB 0.664 31.633 31.700 -1.218 0.000 0.898 313 Q N 0.905 120.562 119.800 -0.238 0.000 2.297 313 Q HA -0.125 4.214 4.340 -0.001 0.000 0.204 313 Q C -0.123 175.911 176.000 0.058 0.000 0.962 313 Q CA 0.753 56.528 55.803 -0.047 0.000 0.879 313 Q CB -0.307 28.449 28.738 0.030 0.000 0.947 313 Q HN 0.479 nan 8.270 nan 0.000 0.462 314 Y N -1.128 119.218 120.300 0.076 0.000 3.929 314 Y HA -0.220 4.329 4.550 -0.000 0.000 0.225 314 Y C -0.099 175.830 175.900 0.049 0.000 1.200 314 Y CA 0.018 58.109 58.100 -0.016 0.000 1.791 314 Y CB -2.329 36.048 38.460 -0.139 0.000 1.561 314 Y HN 0.104 nan 8.280 nan 0.000 0.657 315 L N 0.489 121.864 121.223 0.254 0.000 2.418 315 L HA 0.324 4.664 4.340 -0.001 0.000 0.265 315 L C 0.652 177.696 176.870 0.291 0.000 1.143 315 L CA -0.651 54.337 54.840 0.246 0.000 0.809 315 L CB 0.608 42.823 42.059 0.259 0.000 1.124 315 L HN 0.062 nan 8.230 nan 0.000 0.456 316 L N 4.809 126.197 121.223 0.274 0.000 2.295 316 L HA 0.319 4.659 4.340 -0.001 0.000 0.288 316 L C -1.956 175.042 176.870 0.214 0.000 1.079 316 L CA -1.784 53.258 54.840 0.337 0.000 0.830 316 L CB 0.504 42.814 42.059 0.419 0.000 1.200 316 L HN 0.342 nan 8.230 nan 0.000 0.438 317 P HA 0.080 nan 4.420 nan 0.000 0.274 317 P C -0.128 177.210 177.300 0.063 0.000 1.256 317 P CA -0.412 62.645 63.100 -0.073 0.000 0.795 317 P CB 1.422 32.917 31.700 -0.342 0.000 1.038 318 A N 0.967 123.798 122.820 0.018 0.000 2.390 318 A HA 0.183 4.503 4.320 -0.001 0.000 0.232 318 A C 0.896 178.456 177.584 -0.041 0.000 1.233 318 A CA 0.073 52.100 52.037 -0.016 0.000 0.907 318 A CB -0.145 18.804 19.000 -0.087 0.000 0.967 318 A HN 0.403 nan 8.150 nan 0.000 0.512 319 R N -1.185 119.320 120.500 0.007 0.000 2.637 319 R HA 0.465 4.805 4.340 -0.001 0.000 0.291 319 R C 0.032 176.413 176.300 0.136 0.000 0.963 319 R CA -0.656 55.452 56.100 0.013 0.000 0.901 319 R CB 0.824 31.131 30.300 0.012 0.000 1.160 319 R HN 0.461 nan 8.270 nan 0.000 0.457 320 H N 0.953 120.123 119.070 0.166 0.000 2.319 320 H HA -0.164 4.391 4.556 -0.001 0.000 0.299 320 H C 1.607 177.041 175.328 0.177 0.000 1.092 320 H CA 1.903 58.071 56.048 0.199 0.000 1.302 320 H CB 0.376 30.196 29.762 0.098 0.000 1.373 320 H HN 0.548 nan 8.280 nan 0.000 0.497 321 Q N 0.081 120.014 119.800 0.223 0.000 2.133 321 Q HA -0.188 4.152 4.340 -0.001 0.000 0.208 321 Q C 2.455 178.497 176.000 0.069 0.000 0.991 321 Q CA 1.974 57.848 55.803 0.119 0.000 0.867 321 Q CB -0.105 28.673 28.738 0.067 0.000 0.911 321 Q HN 0.327 nan 8.270 nan 0.000 0.417 322 V N -0.293 119.629 119.914 0.014 0.000 2.343 322 V HA -0.276 3.844 4.120 -0.001 0.000 0.247 322 V C 1.730 177.727 176.094 -0.161 0.000 1.051 322 V CA 1.856 64.080 62.300 -0.127 0.000 1.036 322 V CB -0.790 30.887 31.823 -0.243 0.000 0.654 322 V HN 0.352 nan 8.190 nan 0.000 0.451 323 Y N 0.813 121.116 120.300 0.006 0.000 2.200 323 Y HA -0.154 4.395 4.550 -0.001 0.000 0.290 323 Y C 2.612 178.552 175.900 0.066 0.000 1.137 323 Y CA 1.656 59.788 58.100 0.055 0.000 1.163 323 Y CB -0.346 38.199 38.460 0.142 0.000 0.988 323 Y HN 0.310 nan 8.280 nan 0.000 0.518 324 E N -0.437 119.898 120.200 0.224 0.000 2.150 324 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 324 E C 2.305 178.955 176.600 0.083 0.000 0.985 324 E CA 0.849 57.336 56.400 0.146 0.000 0.814 324 E CB -0.195 29.577 29.700 0.120 0.000 0.752 324 E HN 0.469 nan 8.360 nan 0.000 0.466 325 A N 0.975 123.819 122.820 0.040 0.000 1.874 325 A HA -0.060 4.260 4.320 -0.001 0.000 0.214 325 A C 2.147 179.729 177.584 -0.003 0.000 1.189 325 A CA 0.663 52.703 52.037 0.005 0.000 0.615 325 A CB -0.461 18.525 19.000 -0.023 0.000 0.830 325 A HN 0.098 nan 8.150 nan 0.000 0.443 326 L N -0.152 121.042 121.223 -0.047 0.000 2.093 326 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 326 L C 2.817 179.769 176.870 0.137 0.000 1.085 326 L CA 1.682 56.505 54.840 -0.028 0.000 0.755 326 L CB -0.610 41.201 42.059 -0.414 0.000 0.904 326 L HN 0.681 nan 8.230 nan 0.000 0.435 327 M N -1.516 118.185 119.600 0.169 0.000 2.539 327 M HA -0.177 4.303 4.480 -0.001 0.000 0.261 327 M C 1.794 178.174 176.300 0.133 0.000 1.069 327 M CA 1.478 56.919 55.300 0.235 0.000 1.081 327 M CB -0.449 32.305 32.600 0.257 0.000 1.412 327 M HN 0.217 nan 8.290 nan 0.000 0.482 328 Q N 1.308 121.145 119.800 0.061 0.000 2.020 328 Q HA -0.120 4.220 4.340 -0.001 0.000 0.198 328 Q C 1.338 177.304 176.000 -0.057 0.000 0.974 328 Q CA 1.702 57.509 55.803 0.008 0.000 0.829 328 Q CB -0.055 28.675 28.738 -0.013 0.000 0.894 328 Q HN 0.639 nan 8.270 nan 0.000 0.433 329 D N -0.824 119.474 120.400 -0.170 0.000 2.213 329 D HA -0.040 4.600 4.640 -0.001 0.000 0.205 329 D C -0.177 175.753 176.300 -0.617 0.000 0.961 329 D CA 0.920 54.646 54.000 -0.457 0.000 0.853 329 D CB 0.258 40.621 40.800 -0.728 0.000 0.967 329 D HN 0.190 nan 8.370 nan 0.000 0.496 330 Y N -0.392 120.005 120.300 0.163 0.000 2.686 330 Y HA 0.310 4.860 4.550 -0.001 0.000 0.331 330 Y C -1.780 174.304 175.900 0.306 0.000 0.996 330 Y CA -2.532 55.726 58.100 0.264 0.000 1.293 330 Y CB 1.660 40.334 38.460 0.356 0.000 1.092 330 Y HN -0.163 nan 8.280 nan 0.000 0.524 331 P HA -0.216 nan 4.420 nan 0.000 0.219 331 P C 1.463 178.948 177.300 0.310 0.000 1.144 331 P CA 1.643 64.897 63.100 0.257 0.000 0.806 331 P CB 0.316 32.120 31.700 0.173 0.000 0.771 332 I N -2.562 118.238 120.570 0.383 0.000 2.226 332 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 332 I C 1.914 178.250 176.117 0.364 0.000 1.100 332 I CA 1.563 63.079 61.300 0.360 0.000 1.374 332 I CB -0.663 37.523 38.000 0.310 0.000 1.057 332 I HN -0.029 nan 8.210 nan 0.000 0.413 333 Y N 0.189 120.744 120.300 0.426 0.000 2.483 333 Y HA -0.215 4.335 4.550 -0.000 0.000 0.291 333 Y C 2.879 178.999 175.900 0.367 0.000 1.143 333 Y CA 1.418 59.763 58.100 0.407 0.000 1.289 333 Y CB -0.338 38.334 38.460 0.353 0.000 0.983 333 Y HN 0.126 nan 8.280 nan 0.000 0.556 334 S N -0.401 115.548 115.700 0.414 0.000 2.387 334 S HA -0.140 4.330 4.470 -0.001 0.000 0.226 334 S C 1.996 176.737 174.600 0.235 0.000 1.026 334 S CA 1.149 59.519 58.200 0.283 0.000 0.972 334 S CB -0.039 63.285 63.200 0.208 0.000 0.814 334 S HN 0.390 nan 8.310 nan 0.000 0.477 335 E N 1.018 121.369 120.200 0.253 0.000 2.152 335 E HA 0.028 4.378 4.350 -0.001 0.000 0.192 335 E C 2.102 178.885 176.600 0.304 0.000 0.983 335 E CA 0.586 57.118 56.400 0.221 0.000 0.818 335 E CB -0.305 29.495 29.700 0.167 0.000 0.758 335 E HN 0.529 nan 8.360 nan 0.000 0.467 336 L N 0.425 121.866 121.223 0.363 0.000 2.141 336 L HA -0.098 4.242 4.340 -0.001 0.000 0.209 336 L C 2.518 179.516 176.870 0.213 0.000 1.094 336 L CA 0.927 55.965 54.840 0.330 0.000 0.763 336 L CB -0.486 41.770 42.059 0.329 0.000 0.908 336 L HN 0.044 nan 8.230 nan 0.000 0.437 337 A N -0.489 122.416 122.820 0.142 0.000 1.933 337 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 337 A C 2.233 179.765 177.584 -0.088 0.000 1.175 337 A CA 1.384 53.302 52.037 -0.197 0.000 0.628 337 A CB -0.386 18.585 19.000 -0.048 0.000 0.814 337 A HN 0.438 nan 8.150 nan 0.000 0.444 338 Q N -0.597 119.223 119.800 0.034 0.000 2.084 338 Q HA -0.103 4.237 4.340 -0.001 0.000 0.202 338 Q C 2.034 178.059 176.000 0.043 0.000 0.978 338 Q CA 1.453 57.278 55.803 0.036 0.000 0.844 338 Q CB -0.273 28.499 28.738 0.056 0.000 0.898 338 Q HN 0.746 nan 8.270 nan 0.000 0.426 339 I N -0.428 120.199 120.570 0.095 0.000 2.179 339 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 339 I C 2.251 178.454 176.117 0.144 0.000 1.088 339 I CA 0.857 62.243 61.300 0.143 0.000 1.357 339 I CB -0.192 37.939 38.000 0.217 0.000 1.051 339 I HN 0.089 nan 8.210 nan 0.000 0.409 340 V N 0.866 120.827 119.914 0.077 0.000 3.041 340 V HA -0.142 3.978 4.120 -0.001 0.000 0.260 340 V C 1.314 177.351 176.094 -0.095 0.000 1.105 340 V CA 1.706 63.992 62.300 -0.024 0.000 1.125 340 V CB -0.682 31.124 31.823 -0.029 0.000 0.730 340 V HN 0.430 nan 8.190 nan 0.000 0.479 341 N N -0.454 118.200 118.700 -0.076 0.000 2.383 341 N HA 0.047 4.787 4.740 -0.001 0.000 0.192 341 N C 0.081 175.564 175.510 -0.045 0.000 1.141 341 N CA -0.138 52.890 53.050 -0.037 0.000 0.851 341 N CB 0.235 38.719 38.487 -0.004 0.000 0.976 341 N HN 0.271 nan 8.380 nan 0.000 0.465 342 K N 0.871 121.223 120.400 -0.081 0.000 2.319 342 K HA 0.054 4.374 4.320 -0.001 0.000 0.265 342 K C -1.569 174.951 176.600 -0.134 0.000 1.000 342 K CA -1.175 55.062 56.287 -0.084 0.000 0.943 342 K CB 0.227 32.685 32.500 -0.069 0.000 0.950 342 K HN -0.077 nan 8.250 nan 0.000 0.485 343 P HA -0.099 nan 4.420 nan 0.000 0.216 343 P C 0.877 178.087 177.300 -0.149 0.000 1.153 343 P CA 1.176 64.217 63.100 -0.098 0.000 0.844 343 P CB 0.176 31.840 31.700 -0.059 0.000 0.787 344 S N -1.958 113.652 115.700 -0.150 0.000 2.607 344 S HA 0.018 4.487 4.470 -0.001 0.000 0.224 344 S C 0.621 175.067 174.600 -0.258 0.000 0.969 344 S CA -0.309 57.790 58.200 -0.167 0.000 0.927 344 S CB -1.486 61.650 63.200 -0.105 0.000 0.772 344 S HN 0.190 nan 8.310 nan 0.000 0.533 345 N N 2.170 120.614 118.700 -0.427 0.000 2.454 345 N HA 0.224 4.964 4.740 -0.001 0.000 0.254 345 N C -0.205 174.892 175.510 -0.690 0.000 1.228 345 N CA -0.021 52.617 53.050 -0.686 0.000 0.900 345 N CB 0.335 37.871 38.487 -1.586 0.000 1.089 345 N HN 0.116 nan 8.380 nan 0.000 0.449 346 R N 0.887 121.188 120.500 -0.332 0.000 2.740 346 R HA 0.416 4.756 4.340 -0.001 0.000 0.273 346 R C -1.257 175.199 176.300 0.261 0.000 0.998 346 R CA -0.827 55.190 56.100 -0.138 0.000 0.900 346 R CB 1.279 31.173 30.300 -0.676 0.000 1.223 346 R HN 0.229 nan 8.270 nan 0.000 0.466 347 V N 2.587 122.708 119.914 0.345 0.000 2.546 347 V HA 0.235 4.355 4.120 -0.001 0.000 0.284 347 V C 0.095 176.441 176.094 0.420 0.000 1.050 347 V CA -0.506 62.022 62.300 0.380 0.000 0.981 347 V CB 0.735 32.700 31.823 0.237 0.000 0.990 347 V HN 0.511 nan 8.190 nan 0.000 0.474 348 F N 6.766 126.798 119.950 0.136 0.000 2.466 348 F HA 0.411 4.937 4.527 -0.001 0.000 0.363 348 F C 0.488 176.287 175.800 -0.001 0.000 1.109 348 F CA -0.319 57.693 58.000 0.020 0.000 1.161 348 F CB -0.178 38.661 39.000 -0.269 0.000 1.117 348 F HN 0.386 nan 8.300 nan 0.000 0.539 349 R N 6.702 127.091 120.500 -0.185 0.000 2.740 349 R HA 0.664 5.004 4.340 -0.001 0.000 0.282 349 R C -1.239 174.795 176.300 -0.443 0.000 0.969 349 R CA -0.991 54.926 56.100 -0.304 0.000 0.918 349 R CB 2.430 32.685 30.300 -0.076 0.000 1.175 349 R HN 0.655 nan 8.270 nan 0.000 0.464 350 L N 0.091 121.041 121.223 -0.454 0.000 2.350 350 L HA 0.527 4.867 4.340 -0.001 0.000 0.260 350 L C 0.872 177.589 176.870 -0.255 0.000 1.015 350 L CA -1.145 53.444 54.840 -0.420 0.000 0.821 350 L CB 2.182 43.866 42.059 -0.625 0.000 1.370 350 L HN 0.684 nan 8.230 nan 0.000 0.416 351 G N 0.553 109.236 108.800 -0.197 0.000 2.684 351 G HA2 0.223 4.183 3.960 -0.001 0.000 0.255 351 G HA3 0.223 4.183 3.960 -0.001 0.000 0.255 351 G C -2.019 172.837 174.900 -0.073 0.000 1.219 351 G CA -0.732 44.301 45.100 -0.111 0.000 0.901 351 G HN 0.457 nan 8.290 nan 0.000 0.548 352 P HA -0.035 nan 4.420 nan 0.000 0.218 352 P C 1.021 178.335 177.300 0.023 0.000 1.148 352 P CA 1.092 64.248 63.100 0.093 0.000 0.822 352 P CB 0.236 31.999 31.700 0.105 0.000 0.784 353 E N -0.764 119.432 120.200 -0.006 0.000 2.320 353 E HA 0.014 4.364 4.350 -0.001 0.000 0.189 353 E C 1.445 178.052 176.600 0.012 0.000 1.100 353 E CA -0.251 56.147 56.400 -0.002 0.000 1.009 353 E CB -0.508 29.217 29.700 0.042 0.000 1.145 353 E HN 0.004 nan 8.360 nan 0.000 0.454 354 V N 0.869 120.757 119.914 -0.045 0.000 2.392 354 V HA -0.318 3.801 4.120 -0.001 0.000 0.249 354 V C 2.018 178.173 176.094 0.101 0.000 1.059 354 V CA 1.893 64.173 62.300 -0.032 0.000 1.051 354 V CB -0.123 31.606 31.823 -0.156 0.000 0.658 354 V HN 0.331 nan 8.190 nan 0.000 0.455 355 R N 0.048 120.584 120.500 0.060 0.000 2.066 355 R HA -0.111 4.228 4.340 -0.001 0.000 0.232 355 R C 2.451 178.808 176.300 0.095 0.000 1.131 355 R CA 1.953 58.109 56.100 0.093 0.000 0.955 355 R CB -0.908 29.401 30.300 0.015 0.000 0.851 355 R HN 0.759 nan 8.270 nan 0.000 0.432 356 T N -2.053 112.546 114.554 0.076 0.000 2.857 356 T HA -0.179 4.170 4.350 -0.001 0.000 0.266 356 T C 1.687 176.448 174.700 0.101 0.000 1.048 356 T CA 0.630 62.772 62.100 0.069 0.000 1.139 356 T CB -0.328 68.572 68.868 0.054 0.000 0.874 356 T HN 0.487 nan 8.240 nan 0.000 0.455 357 W N 0.830 122.110 121.300 -0.032 0.000 2.358 357 W HA 0.077 4.736 4.660 -0.001 0.000 0.303 357 W C 1.783 178.280 176.519 -0.036 0.000 1.208 357 W CA 0.329 57.650 57.345 -0.039 0.000 1.274 357 W CB -0.358 29.069 29.460 -0.055 0.000 1.138 357 W HN 0.163 nan 8.180 nan 0.000 0.515 358 L N 1.498 122.926 121.223 0.341 0.000 1.994 358 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 358 L C 2.601 179.475 176.870 0.007 0.000 1.071 358 L CA 2.347 57.320 54.840 0.221 0.000 0.745 358 L CB -1.624 40.584 42.059 0.248 0.000 0.892 358 L HN 0.032 nan 8.230 nan 0.000 0.431 359 K N -0.630 119.780 120.400 0.016 0.000 2.074 359 K HA -0.234 4.085 4.320 -0.001 0.000 0.209 359 K C 1.544 178.082 176.600 -0.104 0.000 1.048 359 K CA 2.025 58.296 56.287 -0.027 0.000 0.926 359 K CB -0.075 32.422 32.500 -0.004 0.000 0.713 359 K HN 0.319 nan 8.250 nan 0.000 0.444 360 D N 0.036 120.328 120.400 -0.179 0.000 2.162 360 D HA -0.034 4.605 4.640 -0.001 0.000 0.203 360 D C 1.796 177.876 176.300 -0.366 0.000 0.967 360 D CA 1.154 55.001 54.000 -0.255 0.000 0.840 360 D CB -0.188 40.438 40.800 -0.290 0.000 0.972 360 D HN 0.359 nan 8.370 nan 0.000 0.482 361 A N 1.208 123.701 122.820 -0.546 0.000 1.972 361 A HA -0.204 4.116 4.320 -0.001 0.000 0.219 361 A C 1.977 179.370 177.584 -0.319 0.000 1.169 361 A CA 1.306 52.971 52.037 -0.621 0.000 0.635 361 A CB -0.377 18.077 19.000 -0.909 0.000 0.810 361 A HN 0.142 nan 8.150 nan 0.000 0.446 362 K N -0.498 119.783 120.400 -0.199 0.000 2.211 362 K HA -0.145 4.175 4.320 -0.001 0.000 0.203 362 K C 1.960 178.492 176.600 -0.113 0.000 1.050 362 K CA 1.488 57.706 56.287 -0.114 0.000 0.945 362 K CB -0.132 32.330 32.500 -0.064 0.000 0.732 362 K HN 0.659 nan 8.250 nan 0.000 0.451 363 Q N -0.142 119.577 119.800 -0.135 0.000 2.389 363 Q HA -0.007 4.332 4.340 -0.001 0.000 0.204 363 Q C 1.834 177.762 176.000 -0.120 0.000 0.944 363 Q CA 0.527 56.263 55.803 -0.111 0.000 0.908 363 Q CB 0.499 29.174 28.738 -0.106 0.000 1.002 363 Q HN 0.091 nan 8.270 nan 0.000 0.493 364 V N -0.830 118.986 119.914 -0.163 0.000 3.307 364 V HA -0.005 4.115 4.120 -0.001 0.000 0.244 364 V C 1.395 177.398 176.094 -0.151 0.000 1.196 364 V CA 0.293 62.498 62.300 -0.158 0.000 1.132 364 V CB 0.352 32.056 31.823 -0.198 0.000 0.875 364 V HN 0.190 nan 8.190 nan 0.000 0.468 365 L N 1.168 122.287 121.223 -0.174 0.000 2.027 365 L HA 0.044 4.384 4.340 -0.001 0.000 0.206 365 L C -0.221 176.604 176.870 -0.075 0.000 1.074 365 L CA 2.588 57.343 54.840 -0.142 0.000 0.745 365 L CB -1.812 40.158 42.059 -0.150 0.000 0.898 365 L HN 0.286 nan 8.230 nan 0.000 0.433 366 P HA -0.145 nan 4.420 nan 0.000 0.216 366 P C 1.335 178.616 177.300 -0.032 0.000 1.150 366 P CA 1.082 64.161 63.100 -0.035 0.000 0.837 366 P CB 0.174 31.853 31.700 -0.035 0.000 0.786 367 E N -0.342 119.832 120.200 -0.044 0.000 2.047 367 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 367 E C 2.145 178.727 176.600 -0.030 0.000 0.987 367 E CA 1.484 57.863 56.400 -0.036 0.000 0.799 367 E CB -1.138 28.535 29.700 -0.046 0.000 0.752 367 E HN 0.088 nan 8.360 nan 0.000 0.449 368 A N 0.091 122.886 122.820 -0.040 0.000 2.070 368 A HA -0.130 4.190 4.320 -0.001 0.000 0.220 368 A C 2.011 179.591 177.584 -0.006 0.000 1.159 368 A CA 1.116 53.137 52.037 -0.027 0.000 0.656 368 A CB -0.380 18.594 19.000 -0.043 0.000 0.800 368 A HN 0.194 nan 8.150 nan 0.000 0.453 369 L N -2.529 118.690 121.223 -0.007 0.000 2.286 369 L HA 0.409 4.749 4.340 -0.001 0.000 0.203 369 L C 1.255 178.127 176.870 0.003 0.000 1.068 369 L CA 0.553 55.396 54.840 0.005 0.000 0.811 369 L CB -0.163 41.901 42.059 0.009 0.000 0.989 369 L HN 0.576 nan 8.230 nan 0.000 0.467 370 G N 0.000 108.799 108.800 -0.002 0.000 5.446 370 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 370 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 370 G CA 0.000 45.100 45.100 0.001 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925