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 3euv_1_B DATA FIRST_RESID 21 DATA SEQUENCE EPLYSLRPEH ARERLQDDSV ETVTSIEQAK VEEKIQEVFS SYKFNXXVPR DATA SEQUENCE LVLQREKHFH YLKRGLRQLT DAYECLDASR PTLCYWILHS LELLDEPIPQ DATA SEQUENCE IVATDVCQFL ELCQSPDGGF GGGPGQYPHL APTTAAVNAL CIIGTEEAYN DATA SEQUENCE VINREKLLQY LYSLKQPDGS FLMHVGGEVD VRSAYCAASV ASLTNIITPD DATA SEQUENCE LFEGTAEWIA RCQNWEGGIG GVPGMEAHGG YTFCGLAALV ILKKERSLNL DATA SEQUENCE KSLLQWVTSR QMRFEGGFQG RCNKLVDGCY SFWQAGLLPL LHRALHAQGD DATA SEQUENCE PALSMSHWMF HQQALQEYIL MCCQCPAGGL LDKPGKSRDF YHTCYCLSGL DATA SEQUENCE SIAQHFGSGA MLHDVVMGVP ENVLQPTHPV YNIGPDKVIQ ATTHFLQKPV DATA SEQUENCE PGFE 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 21 E HA 0.000 nan 4.350 nan 0.000 0.291 21 E C 0.000 176.600 176.600 0.000 0.000 1.382 21 E CA 0.000 56.402 56.400 0.004 0.000 0.976 21 E CB 0.000 29.704 29.700 0.008 0.000 0.812 22 P HA 0.275 nan 4.420 nan 0.000 0.272 22 P C 0.075 177.373 177.300 -0.002 0.000 1.408 22 P CA -0.008 63.094 63.100 0.004 0.000 0.996 22 P CB 0.741 32.444 31.700 0.004 0.000 1.481 23 L N 0.605 121.809 121.223 -0.031 0.000 2.280 23 L HA 0.255 4.595 4.340 0.000 0.000 0.287 23 L C 1.491 178.295 176.870 -0.110 0.000 1.023 23 L CA -0.947 53.849 54.840 -0.074 0.000 0.819 23 L CB 1.504 43.489 42.059 -0.124 0.000 1.212 23 L HN -0.139 nan 8.230 nan 0.000 0.420 24 Y N 2.800 122.966 120.300 -0.224 0.000 2.165 24 Y HA -0.283 4.267 4.550 0.000 0.000 0.286 24 Y C 2.228 177.824 175.900 -0.506 0.000 1.155 24 Y CA 2.064 60.014 58.100 -0.250 0.000 1.164 24 Y CB 0.184 38.525 38.460 -0.198 0.000 0.978 24 Y HN 0.642 nan 8.280 nan 0.000 0.513 25 S N -0.154 115.032 115.700 -0.858 0.000 2.522 25 S HA 0.024 4.494 4.470 0.000 0.000 0.227 25 S C 1.537 175.451 174.600 -1.143 0.000 0.986 25 S CA 0.965 58.214 58.200 -1.585 0.000 0.929 25 S CB -0.159 61.911 63.200 -1.884 0.000 0.769 25 S HN 0.466 nan 8.310 nan 0.000 0.529 26 L N 0.557 121.404 121.223 -0.627 0.000 2.693 26 L HA 0.248 4.588 4.340 0.000 0.000 0.235 26 L C 0.607 177.373 176.870 -0.172 0.000 1.127 26 L CA -0.154 54.497 54.840 -0.315 0.000 0.914 26 L CB -0.009 41.935 42.059 -0.191 0.000 1.193 26 L HN 0.083 nan 8.230 nan 0.000 0.502 27 R N 1.595 121.978 120.500 -0.196 0.000 2.641 27 R HA 0.115 4.455 4.340 0.000 0.000 0.269 27 R C -1.375 174.920 176.300 -0.009 0.000 1.074 27 R CA -1.315 54.743 56.100 -0.070 0.000 1.133 27 R CB 0.312 30.587 30.300 -0.042 0.000 1.029 27 R HN -0.140 nan 8.270 nan 0.000 0.488 28 P HA -0.161 nan 4.420 nan 0.000 0.220 28 P C 0.787 178.121 177.300 0.055 0.000 1.152 28 P CA 1.202 64.328 63.100 0.043 0.000 0.812 28 P CB 0.130 31.851 31.700 0.034 0.000 0.792 29 E N -0.177 120.051 120.200 0.047 0.000 2.265 29 E HA -0.238 4.113 4.350 0.000 0.000 0.196 29 E C 1.835 178.461 176.600 0.043 0.000 0.996 29 E CA 0.909 57.334 56.400 0.043 0.000 0.832 29 E CB -1.517 28.209 29.700 0.043 0.000 0.756 29 E HN 0.420 nan 8.360 nan 0.000 0.491 30 H N 0.886 119.915 119.070 -0.068 0.000 2.521 30 H HA 0.125 4.681 4.556 0.000 0.000 0.286 30 H C 1.694 177.066 175.328 0.073 0.000 1.034 30 H CA 1.103 57.095 56.048 -0.094 0.000 1.278 30 H CB 0.237 29.845 29.762 -0.257 0.000 1.386 30 H HN 0.303 nan 8.280 nan 0.000 0.567 31 A N 0.979 123.883 122.820 0.140 0.000 2.067 31 A HA -0.105 4.215 4.320 0.000 0.000 0.219 31 A C 2.436 180.031 177.584 0.018 0.000 1.158 31 A CA 0.575 52.690 52.037 0.130 0.000 0.661 31 A CB -0.326 18.732 19.000 0.096 0.000 0.801 31 A HN 0.352 nan 8.150 nan 0.000 0.452 32 R N -0.223 120.268 120.500 -0.014 0.000 2.189 32 R HA -0.045 4.295 4.340 0.000 0.000 0.218 32 R C 0.899 177.153 176.300 -0.077 0.000 1.074 32 R CA 0.902 56.976 56.100 -0.043 0.000 0.991 32 R CB -0.116 30.168 30.300 -0.027 0.000 0.883 32 R HN 0.433 nan 8.270 nan 0.000 0.457 33 E N 0.811 120.943 120.200 -0.114 0.000 2.516 33 E HA -0.032 4.318 4.350 0.000 0.000 0.199 33 E C 0.389 176.921 176.600 -0.115 0.000 1.069 33 E CA 0.373 56.710 56.400 -0.106 0.000 0.876 33 E CB -0.059 29.516 29.700 -0.209 0.000 0.843 33 E HN 0.091 nan 8.360 nan 0.000 0.530 34 R N 0.854 121.212 120.500 -0.236 0.000 2.734 34 R HA 0.024 4.364 4.340 0.000 0.000 0.266 34 R C 0.556 176.719 176.300 -0.228 0.000 1.044 34 R CA -0.574 55.280 56.100 -0.409 0.000 1.128 34 R CB 0.061 30.118 30.300 -0.405 0.000 1.010 34 R HN 0.071 nan 8.270 nan 0.000 0.461 35 L N 2.534 123.622 121.223 -0.226 0.000 2.578 35 L HA -0.116 4.224 4.340 0.000 0.000 0.279 35 L C -0.108 176.700 176.870 -0.104 0.000 1.227 35 L CA 1.206 55.965 54.840 -0.134 0.000 0.900 35 L CB 0.172 42.158 42.059 -0.122 0.000 1.144 35 L HN 0.424 nan 8.230 nan 0.000 0.496 36 Q N 3.503 123.260 119.800 -0.072 0.000 2.372 36 Q HA 0.177 4.517 4.340 0.000 0.000 0.259 36 Q C 0.167 176.142 176.000 -0.041 0.000 0.993 36 Q CA -0.361 55.410 55.803 -0.054 0.000 0.854 36 Q CB 1.075 29.788 28.738 -0.043 0.000 1.231 36 Q HN 0.714 nan 8.270 nan 0.000 0.462 37 D N 1.821 122.198 120.400 -0.039 0.000 2.349 37 D HA -0.134 4.506 4.640 0.000 0.000 0.224 37 D C -0.416 175.872 176.300 -0.020 0.000 1.029 37 D CA 0.156 54.139 54.000 -0.029 0.000 0.879 37 D CB 0.190 40.972 40.800 -0.029 0.000 0.906 37 D HN 0.480 nan 8.370 nan 0.000 0.528 38 D N -0.006 120.382 120.400 -0.020 0.000 2.751 38 D HA -0.222 4.418 4.640 0.000 0.000 0.233 38 D C -0.097 176.195 176.300 -0.013 0.000 1.149 38 D CA 1.057 55.048 54.000 -0.015 0.000 0.682 38 D CB -1.824 38.970 40.800 -0.010 0.000 1.068 38 D HN 0.252 nan 8.370 nan 0.000 0.429 39 S N -2.964 112.727 115.700 -0.015 0.000 3.257 39 S HA -0.246 4.224 4.470 0.000 0.000 0.300 39 S C 0.411 175.005 174.600 -0.010 0.000 1.275 39 S CA 1.084 59.276 58.200 -0.013 0.000 1.023 39 S CB -0.737 62.457 63.200 -0.011 0.000 1.180 39 S HN 0.407 nan 8.310 nan 0.000 0.660 40 V N 2.003 121.911 119.914 -0.010 0.000 2.293 40 V HA 0.313 4.434 4.120 0.000 0.000 0.275 40 V C 0.364 176.454 176.094 -0.007 0.000 1.021 40 V CA -0.554 61.742 62.300 -0.007 0.000 0.815 40 V CB 1.353 33.173 31.823 -0.004 0.000 1.025 40 V HN 0.267 nan 8.190 nan 0.000 0.448 41 E N 3.380 123.575 120.200 -0.007 0.000 2.259 41 E HA 0.509 4.859 4.350 0.000 0.000 0.281 41 E C 0.129 176.727 176.600 -0.003 0.000 1.027 41 E CA -0.128 56.267 56.400 -0.007 0.000 0.838 41 E CB 1.864 31.559 29.700 -0.008 0.000 1.066 41 E HN 0.825 nan 8.360 nan 0.000 0.401 42 T N -1.885 112.668 114.554 -0.002 0.000 2.888 42 T HA 0.237 4.587 4.350 0.000 0.000 0.288 42 T C 1.208 175.911 174.700 0.004 0.000 1.063 42 T CA -0.825 61.277 62.100 0.003 0.000 1.010 42 T CB 1.002 69.874 68.868 0.007 0.000 1.214 42 T HN 0.103 nan 8.240 nan 0.000 0.533 43 V N 1.303 121.222 119.914 0.008 0.000 2.231 43 V HA -0.253 3.867 4.120 0.000 0.000 0.250 43 V C 2.982 179.082 176.094 0.010 0.000 1.058 43 V CA 2.969 65.275 62.300 0.010 0.000 1.022 43 V CB -1.505 30.327 31.823 0.015 0.000 0.640 43 V HN 1.140 nan 8.190 nan 0.000 0.445 44 T N 0.138 114.701 114.554 0.013 0.000 2.649 44 T HA -0.276 4.074 4.350 0.000 0.000 0.268 44 T C 2.065 176.767 174.700 0.003 0.000 1.036 44 T CA 2.304 64.412 62.100 0.013 0.000 1.157 44 T CB -0.454 68.424 68.868 0.017 0.000 0.861 44 T HN 0.738 nan 8.240 nan 0.000 0.445 45 S N 0.667 116.366 115.700 -0.002 0.000 2.387 45 S HA 0.019 4.489 4.470 0.000 0.000 0.226 45 S C 2.105 176.695 174.600 -0.016 0.000 1.026 45 S CA 0.583 58.775 58.200 -0.012 0.000 0.972 45 S CB -0.580 62.612 63.200 -0.014 0.000 0.814 45 S HN 0.490 nan 8.310 nan 0.000 0.477 46 I N 1.732 122.296 120.570 -0.010 0.000 2.179 46 I HA -0.116 4.054 4.170 0.000 0.000 0.242 46 I C 2.810 178.920 176.117 -0.011 0.000 1.088 46 I CA 1.404 62.697 61.300 -0.012 0.000 1.357 46 I CB -0.261 37.735 38.000 -0.006 0.000 1.051 46 I HN 0.280 nan 8.210 nan 0.000 0.409 47 E N 0.154 120.353 120.200 -0.003 0.000 2.072 47 E HA -0.273 4.077 4.350 0.000 0.000 0.191 47 E C 2.043 178.642 176.600 -0.001 0.000 0.985 47 E CA 1.089 57.491 56.400 0.002 0.000 0.801 47 E CB -0.397 29.311 29.700 0.012 0.000 0.750 47 E HN 0.407 nan 8.360 nan 0.000 0.452 48 Q N 0.923 120.719 119.800 -0.006 0.000 2.124 48 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 48 Q C 1.879 177.861 176.000 -0.030 0.000 0.977 48 Q CA 1.833 57.629 55.803 -0.013 0.000 0.850 48 Q CB -0.369 28.357 28.738 -0.020 0.000 0.901 48 Q HN 0.213 nan 8.270 nan 0.000 0.429 49 A N -0.077 122.719 122.820 -0.040 0.000 1.968 49 A HA -0.124 4.196 4.320 0.000 0.000 0.217 49 A C 1.988 179.543 177.584 -0.047 0.000 1.169 49 A CA 1.432 53.432 52.037 -0.061 0.000 0.638 49 A CB -0.333 18.633 19.000 -0.057 0.000 0.812 49 A HN 0.349 nan 8.150 nan 0.000 0.446 50 K N -0.457 119.927 120.400 -0.026 0.000 2.026 50 K HA -0.064 4.256 4.320 0.000 0.000 0.208 50 K C 1.850 178.446 176.600 -0.008 0.000 1.048 50 K CA 1.458 57.735 56.287 -0.017 0.000 0.929 50 K CB -0.300 32.194 32.500 -0.009 0.000 0.713 50 K HN 0.271 nan 8.250 nan 0.000 0.439 51 V N 1.636 121.552 119.914 0.004 0.000 2.261 51 V HA -0.256 3.864 4.120 0.000 0.000 0.246 51 V C 1.914 178.034 176.094 0.042 0.000 1.047 51 V CA 1.834 64.150 62.300 0.026 0.000 1.015 51 V CB -0.417 31.430 31.823 0.041 0.000 0.642 51 V HN 0.352 nan 8.190 nan 0.000 0.446 52 E N -0.334 119.883 120.200 0.029 0.000 2.160 52 E HA -0.285 4.065 4.350 0.000 0.000 0.195 52 E C 2.198 178.804 176.600 0.010 0.000 0.991 52 E CA 1.307 57.725 56.400 0.030 0.000 0.810 52 E CB -0.098 29.470 29.700 -0.220 0.000 0.742 52 E HN 0.552 nan 8.360 nan 0.000 0.466 53 E N 1.570 121.754 120.200 -0.026 0.000 2.017 53 E HA -0.190 4.160 4.350 0.000 0.000 0.193 53 E C 1.778 178.375 176.600 -0.004 0.000 0.997 53 E CA 1.513 57.901 56.400 -0.020 0.000 0.804 53 E CB -0.009 29.675 29.700 -0.027 0.000 0.757 53 E HN -0.012 nan 8.360 nan 0.000 0.448 54 K N -0.147 120.246 120.400 -0.011 0.000 2.032 54 K HA -0.085 4.235 4.320 0.000 0.000 0.209 54 K C 2.038 178.594 176.600 -0.072 0.000 1.048 54 K CA 1.518 57.787 56.287 -0.031 0.000 0.927 54 K CB -0.249 32.236 32.500 -0.025 0.000 0.712 54 K HN 0.176 nan 8.250 nan 0.000 0.441 55 I N 0.924 121.451 120.570 -0.072 0.000 2.315 55 I HA -0.223 3.947 4.170 0.000 0.000 0.248 55 I C 2.301 178.157 176.117 -0.434 0.000 1.117 55 I CA 1.291 62.421 61.300 -0.283 0.000 1.404 55 I CB -0.912 36.967 38.000 -0.201 0.000 1.071 55 I HN 0.279 nan 8.210 nan 0.000 0.419 56 Q N 1.554 121.342 119.800 -0.020 0.000 2.061 56 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 56 Q C 2.051 178.066 176.000 0.024 0.000 0.984 56 Q CA 1.936 57.805 55.803 0.110 0.000 0.846 56 Q CB -0.226 28.636 28.738 0.207 0.000 0.902 56 Q HN 0.466 nan 8.270 nan 0.000 0.421 57 E N -1.107 119.085 120.200 -0.014 0.000 2.065 57 E HA -0.218 4.132 4.350 0.000 0.000 0.201 57 E C 1.931 178.525 176.600 -0.011 0.000 1.016 57 E CA 1.822 58.212 56.400 -0.016 0.000 0.818 57 E CB -0.179 29.498 29.700 -0.039 0.000 0.749 57 E HN 0.219 nan 8.360 nan 0.000 0.453 58 V N 0.644 120.511 119.914 -0.078 0.000 2.324 58 V HA -0.281 3.839 4.120 0.000 0.000 0.250 58 V C 1.984 178.180 176.094 0.169 0.000 1.060 58 V CA 1.877 64.171 62.300 -0.010 0.000 1.042 58 V CB -0.617 31.124 31.823 -0.136 0.000 0.650 58 V HN 0.298 nan 8.190 nan 0.000 0.450 59 F N 0.400 120.371 119.950 0.035 0.000 2.113 59 F HA -0.137 4.390 4.527 0.000 0.000 0.297 59 F C 2.551 178.398 175.800 0.078 0.000 1.103 59 F CA 1.079 59.081 58.000 0.003 0.000 1.248 59 F CB -0.362 38.597 39.000 -0.068 0.000 0.999 59 F HN 0.106 nan 8.300 nan 0.000 0.475 60 S N -0.237 115.622 115.700 0.263 0.000 2.603 60 S HA -0.119 4.351 4.470 0.000 0.000 0.229 60 S C 1.960 176.650 174.600 0.151 0.000 0.972 60 S CA 0.866 59.184 58.200 0.197 0.000 0.935 60 S CB -0.359 62.933 63.200 0.153 0.000 0.769 60 S HN 0.452 nan 8.310 nan 0.000 0.536 61 S N 0.844 116.621 115.700 0.129 0.000 2.341 61 S HA -0.029 4.441 4.470 0.000 0.000 0.216 61 S C 1.598 176.277 174.600 0.132 0.000 1.034 61 S CA 0.284 58.498 58.200 0.023 0.000 0.964 61 S CB -0.927 62.263 63.200 -0.017 0.000 0.882 61 S HN 0.370 nan 8.310 nan 0.000 0.469 62 Y N 3.768 124.110 120.300 0.069 0.000 2.219 62 Y HA -0.105 4.445 4.550 0.000 0.000 0.283 62 Y C 1.110 177.064 175.900 0.089 0.000 1.191 62 Y CA 1.424 59.566 58.100 0.070 0.000 1.199 62 Y CB -0.378 38.118 38.460 0.060 0.000 0.972 62 Y HN 0.493 nan 8.280 nan 0.000 0.527 63 K N -0.396 120.159 120.400 0.259 0.000 2.266 63 K HA 0.454 4.774 4.320 0.000 0.000 0.274 63 K C -1.350 175.446 176.600 0.327 0.000 1.090 63 K CA -0.203 56.211 56.287 0.211 0.000 0.925 63 K CB 0.521 33.116 32.500 0.158 0.000 1.225 63 K HN -0.012 nan 8.250 nan 0.000 0.458 64 F N 1.031 120.994 119.950 0.022 0.000 2.773 64 F HA 0.249 4.776 4.527 0.000 0.000 0.314 64 F C -0.598 175.201 175.800 -0.001 0.000 1.160 64 F CA -1.006 57.000 58.000 0.010 0.000 0.920 64 F CB 1.413 40.415 39.000 0.004 0.000 1.323 64 F HN 0.468 nan 8.300 nan 0.000 0.457 69 P HA 0.272 nan 4.420 nan 0.000 0.273 69 P C 0.120 177.486 177.300 0.111 0.000 1.258 69 P CA 0.038 63.166 63.100 0.048 0.000 0.802 69 P CB 0.705 32.401 31.700 -0.006 0.000 1.040 70 R N -0.656 119.894 120.500 0.083 0.000 2.783 70 R HA 0.388 4.728 4.340 0.000 0.000 0.276 70 R C 0.076 176.469 176.300 0.155 0.000 1.223 70 R CA -0.412 55.744 56.100 0.093 0.000 1.173 70 R CB -0.342 29.988 30.300 0.051 0.000 1.157 70 R HN 0.468 nan 8.270 nan 0.000 0.600 71 L N 1.103 122.391 121.223 0.109 0.000 2.325 71 L HA 0.431 4.771 4.340 0.000 0.000 0.281 71 L C -0.692 176.222 176.870 0.073 0.000 1.004 71 L CA -0.851 54.058 54.840 0.115 0.000 0.823 71 L CB 1.886 43.974 42.059 0.048 0.000 1.236 71 L HN 0.136 nan 8.230 nan 0.000 0.415 72 V N 3.727 123.689 119.914 0.081 0.000 2.604 72 V HA 0.381 4.501 4.120 0.000 0.000 0.305 72 V C -0.321 175.803 176.094 0.050 0.000 1.043 72 V CA -0.702 61.626 62.300 0.047 0.000 0.888 72 V CB 2.490 34.329 31.823 0.027 0.000 0.995 72 V HN 0.506 nan 8.190 nan 0.000 0.429 73 L N 4.288 125.535 121.223 0.041 0.000 2.260 73 L HA 0.441 4.781 4.340 0.000 0.000 0.289 73 L C 0.492 177.357 176.870 -0.009 0.000 1.057 73 L CA 0.236 55.117 54.840 0.070 0.000 0.811 73 L CB 1.060 43.170 42.059 0.084 0.000 1.184 73 L HN 0.620 nan 8.230 nan 0.000 0.429 74 Q N 5.592 125.318 119.800 -0.123 0.000 2.962 74 Q HA 0.074 4.414 4.340 0.000 0.000 0.251 74 Q C 0.831 176.508 176.000 -0.539 0.000 1.380 74 Q CA 0.271 55.866 55.803 -0.347 0.000 0.926 74 Q CB -0.133 28.368 28.738 -0.395 0.000 1.704 74 Q HN 0.736 nan 8.270 nan 0.000 0.563 75 R N 0.443 120.819 120.500 -0.206 0.000 2.066 75 R HA -0.111 4.229 4.340 0.000 0.000 0.232 75 R C 1.626 177.886 176.300 -0.068 0.000 1.131 75 R CA 0.710 56.760 56.100 -0.084 0.000 0.955 75 R CB 0.192 30.466 30.300 -0.043 0.000 0.851 75 R HN 0.349 nan 8.270 nan 0.000 0.432 76 E N 1.329 121.477 120.200 -0.087 0.000 2.051 76 E HA -0.164 4.186 4.350 0.000 0.000 0.192 76 E C 1.855 178.458 176.600 0.006 0.000 0.991 76 E CA 1.364 57.736 56.400 -0.047 0.000 0.799 76 E CB 0.075 29.766 29.700 -0.015 0.000 0.748 76 E HN 0.233 nan 8.360 nan 0.000 0.449 77 K N -0.296 120.079 120.400 -0.041 0.000 2.032 77 K HA -0.159 4.161 4.320 0.000 0.000 0.209 77 K C 2.155 178.812 176.600 0.094 0.000 1.048 77 K CA 1.411 57.701 56.287 0.006 0.000 0.927 77 K CB -0.210 32.237 32.500 -0.089 0.000 0.712 77 K HN 0.201 nan 8.250 nan 0.000 0.441 78 H N -0.576 118.560 119.070 0.109 0.000 2.352 78 H HA -0.152 4.404 4.556 0.000 0.000 0.299 78 H C 1.969 177.422 175.328 0.208 0.000 1.097 78 H CA 1.312 57.454 56.048 0.155 0.000 1.311 78 H CB -0.639 29.188 29.762 0.109 0.000 1.377 78 H HN 0.167 nan 8.280 nan 0.000 0.504 79 F N 1.848 121.850 119.950 0.086 0.000 2.095 79 F HA -0.246 4.281 4.527 0.000 0.000 0.298 79 F C 2.573 178.369 175.800 -0.006 0.000 1.104 79 F CA 1.597 59.581 58.000 -0.027 0.000 1.232 79 F CB -0.329 38.557 39.000 -0.189 0.000 0.987 79 F HN 0.145 nan 8.300 nan 0.000 0.475 80 H N -1.518 117.565 119.070 0.022 0.000 2.353 80 H HA -0.182 4.375 4.556 0.000 0.000 0.300 80 H C 2.100 177.421 175.328 -0.010 0.000 1.090 80 H CA 1.836 57.830 56.048 -0.089 0.000 1.327 80 H CB -1.248 28.542 29.762 0.047 0.000 1.383 80 H HN 0.402 nan 8.280 nan 0.000 0.508 81 Y N 1.654 122.018 120.300 0.105 0.000 2.069 81 Y HA -0.271 4.279 4.550 0.000 0.000 0.278 81 Y C 2.531 178.530 175.900 0.166 0.000 1.175 81 Y CA 1.507 59.692 58.100 0.141 0.000 1.134 81 Y CB -0.780 37.777 38.460 0.161 0.000 0.965 81 Y HN 0.040 nan 8.280 nan 0.000 0.498 82 L N -0.005 121.235 121.223 0.028 0.000 2.027 82 L HA -0.233 4.107 4.340 0.000 0.000 0.206 82 L C 2.668 179.362 176.870 -0.294 0.000 1.074 82 L CA 1.877 56.628 54.840 -0.148 0.000 0.745 82 L CB -0.729 41.293 42.059 -0.061 0.000 0.898 82 L HN 0.134 nan 8.230 nan 0.000 0.433 83 K N 0.555 120.721 120.400 -0.391 0.000 2.034 83 K HA -0.296 4.024 4.320 0.000 0.000 0.214 83 K C 2.342 178.786 176.600 -0.260 0.000 1.051 83 K CA 2.126 58.160 56.287 -0.421 0.000 0.931 83 K CB -0.064 32.069 32.500 -0.612 0.000 0.715 83 K HN 0.080 nan 8.250 nan 0.000 0.446 84 R N -0.309 120.075 120.500 -0.193 0.000 2.066 84 R HA -0.071 4.269 4.340 0.000 0.000 0.232 84 R C 2.348 178.528 176.300 -0.199 0.000 1.131 84 R CA 1.800 57.817 56.100 -0.138 0.000 0.955 84 R CB -0.776 29.495 30.300 -0.049 0.000 0.851 84 R HN 0.360 nan 8.270 nan 0.000 0.432 85 G N 1.007 109.642 108.800 -0.276 0.000 2.442 85 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 85 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 85 G C 1.255 175.845 174.900 -0.517 0.000 1.141 85 G CA 0.819 45.628 45.100 -0.485 0.000 0.763 85 G HN 0.336 nan 8.290 nan 0.000 0.554 86 L N 0.073 121.038 121.223 -0.429 0.000 2.265 86 L HA 0.162 4.502 4.340 0.000 0.000 0.215 86 L C 2.440 179.134 176.870 -0.294 0.000 1.117 86 L CA 1.702 56.328 54.840 -0.358 0.000 0.782 86 L CB -0.223 41.671 42.059 -0.274 0.000 0.914 86 L HN 0.222 nan 8.230 nan 0.000 0.441 87 R N -0.893 119.453 120.500 -0.256 0.000 2.121 87 R HA 0.268 4.608 4.340 0.000 0.000 0.206 87 R C 0.335 176.513 176.300 -0.203 0.000 1.094 87 R CA 0.610 56.587 56.100 -0.206 0.000 1.055 87 R CB 0.184 30.391 30.300 -0.154 0.000 0.964 87 R HN 0.469 nan 8.270 nan 0.000 0.473 88 Q N -0.543 119.138 119.800 -0.197 0.000 2.435 88 Q HA 0.518 4.858 4.340 0.000 0.000 0.282 88 Q C -1.904 174.002 176.000 -0.158 0.000 1.020 88 Q CA -0.769 54.939 55.803 -0.158 0.000 0.820 88 Q CB 2.002 30.678 28.738 -0.103 0.000 1.436 88 Q HN 0.131 nan 8.270 nan 0.000 0.395 89 L N 1.452 122.604 121.223 -0.119 0.000 2.482 89 L HA 0.462 4.802 4.340 0.000 0.000 0.263 89 L C 0.176 177.078 176.870 0.053 0.000 0.957 89 L CA -0.895 53.886 54.840 -0.098 0.000 0.836 89 L CB 2.228 44.149 42.059 -0.230 0.000 1.324 89 L HN 0.832 nan 8.230 nan 0.000 0.406 90 T N -3.203 111.449 114.554 0.164 0.000 2.701 90 T HA 0.028 4.378 4.350 0.000 0.000 0.303 90 T C 0.834 175.661 174.700 0.212 0.000 1.030 90 T CA 0.160 62.366 62.100 0.177 0.000 1.010 90 T CB 0.530 69.513 68.868 0.192 0.000 1.007 90 T HN 0.756 nan 8.240 nan 0.000 0.532 91 D N -0.177 120.304 120.400 0.134 0.000 2.350 91 D HA 0.032 4.673 4.640 0.000 0.000 0.216 91 D C 2.024 178.381 176.300 0.095 0.000 0.968 91 D CA 0.864 54.929 54.000 0.108 0.000 0.894 91 D CB -0.732 40.106 40.800 0.063 0.000 0.909 91 D HN 0.682 nan 8.370 nan 0.000 0.520 92 A N -0.187 122.685 122.820 0.087 0.000 2.084 92 A HA -0.188 4.133 4.320 0.000 0.000 0.221 92 A C 1.226 178.721 177.584 -0.148 0.000 1.161 92 A CA 0.869 52.876 52.037 -0.050 0.000 0.653 92 A CB -1.016 17.915 19.000 -0.116 0.000 0.802 92 A HN 0.408 nan 8.150 nan 0.000 0.457 93 Y N -0.216 120.131 120.300 0.077 0.000 2.493 93 Y HA 0.149 4.699 4.550 0.000 0.000 0.275 93 Y C 1.839 177.783 175.900 0.074 0.000 1.183 93 Y CA 0.093 58.251 58.100 0.098 0.000 1.258 93 Y CB -0.053 38.481 38.460 0.123 0.000 1.108 93 Y HN 0.437 nan 8.280 nan 0.000 0.521 94 E N -0.203 120.081 120.200 0.140 0.000 2.130 94 E HA -0.261 4.089 4.350 0.000 0.000 0.196 94 E C 2.049 178.698 176.600 0.080 0.000 0.998 94 E CA 1.678 58.135 56.400 0.094 0.000 0.806 94 E CB -0.238 29.496 29.700 0.057 0.000 0.738 94 E HN 0.651 nan 8.360 nan 0.000 0.459 95 C N -0.411 118.929 119.300 0.066 0.000 2.491 95 C HA 0.097 4.557 4.460 0.000 0.000 0.277 95 C C 1.814 176.860 174.990 0.093 0.000 1.455 95 C CA -0.196 58.857 59.018 0.058 0.000 1.758 95 C CB -1.108 26.651 27.740 0.032 0.000 1.745 95 C HN 0.216 nan 8.230 nan 0.000 0.558 96 L N 0.900 122.212 121.223 0.147 0.000 2.700 96 L HA 0.201 4.541 4.340 0.000 0.000 0.234 96 L C 1.806 178.746 176.870 0.117 0.000 1.156 96 L CA 0.357 55.300 54.840 0.171 0.000 0.946 96 L CB -0.463 41.776 42.059 0.300 0.000 1.216 96 L HN 0.221 nan 8.230 nan 0.000 0.493 97 D N 1.224 121.677 120.400 0.088 0.000 2.310 97 D HA -0.136 4.504 4.640 0.000 0.000 0.212 97 D C 1.768 178.089 176.300 0.036 0.000 0.965 97 D CA 1.017 55.054 54.000 0.062 0.000 0.879 97 D CB 0.439 41.269 40.800 0.049 0.000 0.921 97 D HN 0.273 nan 8.370 nan 0.000 0.510 98 A N -0.860 121.970 122.820 0.016 0.000 2.460 98 A HA 0.351 4.671 4.320 0.000 0.000 0.258 98 A C 0.858 178.420 177.584 -0.036 0.000 1.300 98 A CA -0.267 51.756 52.037 -0.022 0.000 0.913 98 A CB 0.401 19.367 19.000 -0.056 0.000 1.031 98 A HN 0.059 nan 8.150 nan 0.000 0.512 99 S N -0.604 115.093 115.700 -0.006 0.000 2.835 99 S HA 0.207 4.677 4.470 0.000 0.000 0.248 99 S C 1.122 175.688 174.600 -0.058 0.000 1.070 99 S CA -0.493 57.680 58.200 -0.044 0.000 1.090 99 S CB 0.126 63.317 63.200 -0.015 0.000 0.978 99 S HN 0.582 nan 8.310 nan 0.000 0.510 100 R N 1.862 122.369 120.500 0.012 0.000 2.062 100 R HA 0.031 4.371 4.340 0.000 0.000 0.226 100 R C -1.008 175.316 176.300 0.039 0.000 1.125 100 R CA 1.090 57.224 56.100 0.057 0.000 0.966 100 R CB -1.337 29.082 30.300 0.198 0.000 0.861 100 R HN 0.251 nan 8.270 nan 0.000 0.433 101 P HA -0.136 nan 4.420 nan 0.000 0.216 101 P C 0.985 178.204 177.300 -0.134 0.000 1.153 101 P CA 1.617 64.709 63.100 -0.012 0.000 0.858 101 P CB -0.073 31.589 31.700 -0.064 0.000 0.789 102 T N -0.372 114.039 114.554 -0.239 0.000 2.720 102 T HA -0.158 4.192 4.350 0.000 0.000 0.268 102 T C 1.781 175.967 174.700 -0.857 0.000 1.037 102 T CA 1.138 62.923 62.100 -0.524 0.000 1.144 102 T CB -0.995 67.514 68.868 -0.598 0.000 0.864 102 T HN 0.064 nan 8.240 nan 0.000 0.444 103 L N 0.307 121.201 121.223 -0.549 0.000 2.017 103 L HA -0.135 4.205 4.340 0.000 0.000 0.208 103 L C 2.998 179.744 176.870 -0.208 0.000 1.073 103 L CA 1.055 55.719 54.840 -0.293 0.000 0.745 103 L CB -0.692 41.283 42.059 -0.140 0.000 0.894 103 L HN 0.371 nan 8.230 nan 0.000 0.432 104 C N -0.971 118.231 119.300 -0.163 0.000 2.363 104 C HA -0.304 4.156 4.460 0.000 0.000 0.274 104 C C 2.763 177.709 174.990 -0.073 0.000 1.183 104 C CA 1.465 60.419 59.018 -0.107 0.000 1.771 104 C CB -0.920 26.807 27.740 -0.023 0.000 2.059 104 C HN 0.599 nan 8.230 nan 0.000 0.455 105 Y N 0.278 120.474 120.300 -0.174 0.000 2.145 105 Y HA -0.185 4.365 4.550 0.000 0.000 0.286 105 Y C 2.281 178.187 175.900 0.010 0.000 1.145 105 Y CA 1.664 59.696 58.100 -0.114 0.000 1.148 105 Y CB -0.717 37.651 38.460 -0.152 0.000 0.981 105 Y HN 0.406 nan 8.280 nan 0.000 0.507 106 W N 0.620 121.776 121.300 -0.240 0.000 2.321 106 W HA -0.233 4.428 4.660 0.000 0.000 0.306 106 W C 2.426 178.765 176.519 -0.301 0.000 1.217 106 W CA 1.465 58.605 57.345 -0.341 0.000 1.257 106 W CB -1.287 28.150 29.460 -0.037 0.000 1.145 106 W HN 0.216 nan 8.180 nan 0.000 0.509 107 I N -0.382 120.163 120.570 -0.041 0.000 2.233 107 I HA -0.282 3.888 4.170 0.000 0.000 0.243 107 I C 2.440 178.483 176.117 -0.124 0.000 1.093 107 I CA 1.018 62.237 61.300 -0.134 0.000 1.380 107 I CB -0.757 37.062 38.000 -0.302 0.000 1.067 107 I HN -0.188 nan 8.210 nan 0.000 0.413 108 L N -0.221 120.933 121.223 -0.114 0.000 2.046 108 L HA -0.257 4.083 4.340 0.000 0.000 0.208 108 L C 2.743 179.570 176.870 -0.072 0.000 1.077 108 L CA 1.481 56.277 54.840 -0.073 0.000 0.747 108 L CB -0.990 41.051 42.059 -0.030 0.000 0.896 108 L HN 0.320 nan 8.230 nan 0.000 0.432 109 H N 0.362 119.269 119.070 -0.272 0.000 2.319 109 H HA -0.144 4.412 4.556 0.000 0.000 0.299 109 H C 2.381 177.580 175.328 -0.215 0.000 1.092 109 H CA 1.866 57.735 56.048 -0.299 0.000 1.302 109 H CB -0.009 29.383 29.762 -0.618 0.000 1.373 109 H HN 0.194 nan 8.280 nan 0.000 0.497 110 S N 0.147 115.673 115.700 -0.290 0.000 2.382 110 S HA -0.110 4.360 4.470 0.000 0.000 0.228 110 S C 2.403 176.921 174.600 -0.137 0.000 1.027 110 S CA 1.210 59.262 58.200 -0.247 0.000 0.991 110 S CB -0.325 62.803 63.200 -0.120 0.000 0.823 110 S HN 0.333 nan 8.310 nan 0.000 0.469 111 L N 1.522 122.700 121.223 -0.075 0.000 2.017 111 L HA -0.148 4.192 4.340 0.000 0.000 0.208 111 L C 2.840 179.691 176.870 -0.032 0.000 1.073 111 L CA 1.655 56.499 54.840 0.006 0.000 0.745 111 L CB -0.583 41.495 42.059 0.031 0.000 0.894 111 L HN 0.395 nan 8.230 nan 0.000 0.432 112 E N 0.651 120.805 120.200 -0.078 0.000 2.118 112 E HA -0.246 4.104 4.350 0.000 0.000 0.195 112 E C 2.284 178.815 176.600 -0.115 0.000 0.992 112 E CA 1.254 57.608 56.400 -0.077 0.000 0.804 112 E CB -0.046 29.627 29.700 -0.046 0.000 0.741 112 E HN 0.489 nan 8.360 nan 0.000 0.458 113 L N 0.306 121.399 121.223 -0.216 0.000 2.109 113 L HA -0.095 4.245 4.340 0.000 0.000 0.207 113 L C 2.349 179.171 176.870 -0.081 0.000 1.086 113 L CA 0.601 55.330 54.840 -0.184 0.000 0.760 113 L CB -0.079 41.802 42.059 -0.297 0.000 0.910 113 L HN 0.205 nan 8.230 nan 0.000 0.437 114 L N -0.642 120.544 121.223 -0.062 0.000 2.599 114 L HA -0.020 4.320 4.340 0.000 0.000 0.230 114 L C 0.200 177.049 176.870 -0.035 0.000 1.141 114 L CA 0.071 54.900 54.840 -0.017 0.000 0.877 114 L CB -0.242 41.837 42.059 0.034 0.000 1.009 114 L HN 0.280 nan 8.230 nan 0.000 0.447 115 D N 1.072 121.447 120.400 -0.041 0.000 2.767 115 D HA -0.158 4.482 4.640 0.000 0.000 0.239 115 D C -0.230 176.034 176.300 -0.061 0.000 1.103 115 D CA 0.484 54.457 54.000 -0.045 0.000 0.710 115 D CB -0.495 40.279 40.800 -0.043 0.000 1.084 115 D HN 0.208 nan 8.370 nan 0.000 0.435 116 E N 1.277 121.454 120.200 -0.037 0.000 2.145 116 E HA 0.344 4.694 4.350 0.000 0.000 0.262 116 E C -2.102 174.501 176.600 0.006 0.000 0.883 116 E CA -1.618 54.760 56.400 -0.036 0.000 0.748 116 E CB 1.433 31.163 29.700 0.051 0.000 1.140 116 E HN 0.228 nan 8.360 nan 0.000 0.417 117 P HA 0.074 nan 4.420 nan 0.000 0.265 117 P C -0.010 177.305 177.300 0.025 0.000 1.193 117 P CA -0.176 62.923 63.100 -0.002 0.000 0.765 117 P CB 0.666 32.358 31.700 -0.014 0.000 0.823 118 I N 5.008 125.586 120.570 0.014 0.000 2.379 118 I HA 0.181 4.351 4.170 0.000 0.000 0.290 118 I C -1.683 174.437 176.117 0.005 0.000 1.063 118 I CA -2.633 58.675 61.300 0.014 0.000 1.351 118 I CB -0.483 37.514 38.000 -0.006 0.000 1.410 118 I HN 0.198 nan 8.210 nan 0.000 0.505 119 P HA 0.058 nan 4.420 nan 0.000 0.267 119 P C 0.754 178.049 177.300 -0.008 0.000 1.201 119 P CA -0.243 62.860 63.100 0.005 0.000 0.775 119 P CB 0.812 32.519 31.700 0.012 0.000 0.854 120 Q N 0.829 120.622 119.800 -0.011 0.000 2.167 120 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 120 Q C 1.517 177.507 176.000 -0.016 0.000 0.970 120 Q CA 1.033 56.826 55.803 -0.017 0.000 0.855 120 Q CB -0.045 28.684 28.738 -0.016 0.000 0.911 120 Q HN 0.433 nan 8.270 nan 0.000 0.438 121 I N -0.038 120.524 120.570 -0.013 0.000 2.617 121 I HA -0.166 4.004 4.170 0.000 0.000 0.256 121 I C 2.110 178.215 176.117 -0.019 0.000 1.167 121 I CA 0.713 62.005 61.300 -0.014 0.000 1.469 121 I CB -0.558 37.435 38.000 -0.012 0.000 1.098 121 I HN 0.026 nan 8.210 nan 0.000 0.436 122 V N 1.145 121.045 119.914 -0.023 0.000 2.283 122 V HA -0.192 3.928 4.120 0.000 0.000 0.243 122 V C 2.808 178.884 176.094 -0.029 0.000 1.039 122 V CA 1.591 63.871 62.300 -0.034 0.000 1.016 122 V CB -1.065 30.735 31.823 -0.038 0.000 0.650 122 V HN 0.414 nan 8.190 nan 0.000 0.449 123 A N -0.581 122.224 122.820 -0.026 0.000 1.903 123 A HA -0.320 4.000 4.320 0.000 0.000 0.219 123 A C 2.415 179.988 177.584 -0.017 0.000 1.191 123 A CA 2.881 54.902 52.037 -0.027 0.000 0.638 123 A CB -1.156 17.823 19.000 -0.036 0.000 0.823 123 A HN 0.465 nan 8.150 nan 0.000 0.451 124 T N -0.653 113.893 114.554 -0.014 0.000 2.821 124 T HA -0.102 4.248 4.350 0.000 0.000 0.267 124 T C 1.501 176.209 174.700 0.013 0.000 1.046 124 T CA 1.607 63.705 62.100 -0.004 0.000 1.139 124 T CB -0.430 68.435 68.868 -0.006 0.000 0.871 124 T HN 0.491 nan 8.240 nan 0.000 0.454 125 D N 0.515 120.919 120.400 0.006 0.000 2.144 125 D HA -0.022 4.618 4.640 0.000 0.000 0.200 125 D C 2.188 178.523 176.300 0.058 0.000 0.978 125 D CA 0.536 54.547 54.000 0.017 0.000 0.833 125 D CB -0.510 40.277 40.800 -0.021 0.000 0.961 125 D HN 0.203 nan 8.370 nan 0.000 0.470 126 V N 0.433 120.370 119.914 0.040 0.000 2.392 126 V HA -0.292 3.828 4.120 0.000 0.000 0.249 126 V C 2.601 178.774 176.094 0.131 0.000 1.059 126 V CA 1.288 63.640 62.300 0.086 0.000 1.051 126 V CB -0.386 31.455 31.823 0.030 0.000 0.658 126 V HN 0.312 nan 8.190 nan 0.000 0.455 127 C N -0.988 118.357 119.300 0.076 0.000 2.453 127 C HA -0.165 4.295 4.460 0.000 0.000 0.277 127 C C 2.824 177.866 174.990 0.087 0.000 1.262 127 C CA 1.037 60.096 59.018 0.067 0.000 1.718 127 C CB -0.902 26.858 27.740 0.034 0.000 2.031 127 C HN 0.582 nan 8.230 nan 0.000 0.480 128 Q N -0.903 118.951 119.800 0.090 0.000 2.167 128 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 128 Q C 1.922 177.992 176.000 0.118 0.000 0.970 128 Q CA 1.340 57.194 55.803 0.084 0.000 0.855 128 Q CB -0.225 28.558 28.738 0.074 0.000 0.911 128 Q HN 0.748 nan 8.270 nan 0.000 0.438 129 F N 0.804 120.761 119.950 0.011 0.000 2.084 129 F HA -0.147 4.380 4.527 0.000 0.000 0.296 129 F C 1.604 177.432 175.800 0.048 0.000 1.111 129 F CA 1.250 59.257 58.000 0.012 0.000 1.224 129 F CB -0.269 38.725 39.000 -0.010 0.000 0.991 129 F HN -0.034 nan 8.300 nan 0.000 0.471 130 L N 0.024 121.193 121.223 -0.091 0.000 2.191 130 L HA -0.206 4.134 4.340 0.000 0.000 0.212 130 L C 2.379 179.281 176.870 0.055 0.000 1.103 130 L CA 1.658 56.453 54.840 -0.076 0.000 0.769 130 L CB -0.732 41.363 42.059 0.061 0.000 0.908 130 L HN 0.252 nan 8.230 nan 0.000 0.438 131 E N 0.468 120.678 120.200 0.016 0.000 2.150 131 E HA -0.181 4.169 4.350 0.000 0.000 0.193 131 E C 2.250 178.786 176.600 -0.106 0.000 0.985 131 E CA 0.777 57.167 56.400 -0.016 0.000 0.814 131 E CB 0.058 29.762 29.700 0.007 0.000 0.752 131 E HN 0.460 nan 8.360 nan 0.000 0.466 132 L N -0.324 120.812 121.223 -0.144 0.000 2.240 132 L HA -0.112 4.228 4.340 0.000 0.000 0.211 132 L C 2.242 178.981 176.870 -0.218 0.000 1.106 132 L CA 0.280 55.026 54.840 -0.157 0.000 0.793 132 L CB -0.041 41.950 42.059 -0.114 0.000 0.927 132 L HN 0.320 nan 8.230 nan 0.000 0.446 133 C N -0.746 118.368 119.300 -0.309 0.000 2.456 133 C HA -0.072 4.388 4.460 0.000 0.000 0.279 133 C C 1.567 176.435 174.990 -0.204 0.000 1.427 133 C CA -0.338 58.546 59.018 -0.223 0.000 1.778 133 C CB -0.956 26.655 27.740 -0.214 0.000 1.842 133 C HN 0.415 nan 8.230 nan 0.000 0.531 134 Q N 1.614 121.199 119.800 -0.359 0.000 2.313 134 Q HA 0.173 4.513 4.340 0.000 0.000 0.266 134 Q C 0.343 176.091 176.000 -0.420 0.000 0.989 134 Q CA 0.119 55.486 55.803 -0.726 0.000 0.890 134 Q CB 0.610 28.842 28.738 -0.843 0.000 1.200 134 Q HN 0.496 nan 8.270 nan 0.000 0.396 135 S N 4.327 119.784 115.700 -0.406 0.000 2.601 135 S HA 0.337 4.807 4.470 0.000 0.000 0.271 135 S C -1.609 172.858 174.600 -0.221 0.000 1.305 135 S CA -1.403 56.647 58.200 -0.249 0.000 1.022 135 S CB 0.797 63.857 63.200 -0.233 0.000 0.940 135 S HN 0.677 nan 8.310 nan 0.000 0.525 136 P HA -0.009 nan 4.420 nan 0.000 0.223 136 P C 0.168 177.408 177.300 -0.100 0.000 1.151 136 P CA 0.896 63.930 63.100 -0.110 0.000 0.787 136 P CB -0.079 31.579 31.700 -0.070 0.000 0.788 137 D N -0.751 119.583 120.400 -0.109 0.000 2.340 137 D HA 0.277 4.917 4.640 0.000 0.000 0.217 137 D C 1.021 177.262 176.300 -0.098 0.000 1.081 137 D CA 0.140 54.094 54.000 -0.077 0.000 0.842 137 D CB 0.392 41.169 40.800 -0.038 0.000 0.934 137 D HN 0.187 nan 8.370 nan 0.000 0.511 138 G N -0.022 108.655 108.800 -0.205 0.000 2.570 138 G HA2 0.392 4.352 3.960 0.000 0.000 0.686 138 G HA3 0.392 4.352 3.960 0.000 0.000 0.686 138 G C 0.186 174.797 174.900 -0.482 0.000 1.257 138 G CA -0.269 44.694 45.100 -0.227 0.000 0.846 138 G HN 0.835 nan 8.290 nan 0.000 0.627 139 G N -1.154 107.451 108.800 -0.325 0.000 2.855 139 G HA2 0.323 4.283 3.960 0.000 0.000 0.352 139 G HA3 0.323 4.283 3.960 0.000 0.000 0.352 139 G C -0.398 174.286 174.900 -0.359 0.000 1.415 139 G CA 0.266 45.213 45.100 -0.254 0.000 0.871 139 G HN 1.768 nan 8.290 nan 0.000 0.543 140 F N 0.225 120.077 119.950 -0.163 0.000 2.561 140 F HA 0.740 5.267 4.527 0.000 0.000 0.321 140 F C 1.108 176.857 175.800 -0.085 0.000 1.065 140 F CA 0.191 58.116 58.000 -0.124 0.000 0.934 140 F CB 2.000 40.941 39.000 -0.097 0.000 1.215 140 F HN 0.822 nan 8.300 nan 0.000 0.471 141 G N -0.264 108.583 108.800 0.079 0.000 2.705 141 G HA2 0.452 4.412 3.960 0.000 0.000 0.299 141 G HA3 0.452 4.412 3.960 0.000 0.000 0.299 141 G C 0.738 175.655 174.900 0.028 0.000 1.315 141 G CA -0.423 44.709 45.100 0.053 0.000 1.045 141 G HN 0.887 nan 8.290 nan 0.000 0.517 142 G N -1.788 107.007 108.800 -0.007 0.000 2.744 142 G HA2 0.459 4.419 3.960 0.000 0.000 0.211 142 G HA3 0.459 4.419 3.960 0.000 0.000 0.211 142 G C 0.655 175.563 174.900 0.013 0.000 1.143 142 G CA 0.952 46.041 45.100 -0.020 0.000 0.788 142 G HN 1.322 nan 8.290 nan 0.000 0.534 143 G N -1.216 107.580 108.800 -0.007 0.000 2.387 143 G HA2 0.456 4.416 3.960 0.000 0.000 0.294 143 G HA3 0.456 4.416 3.960 0.000 0.000 0.294 143 G C -3.461 171.412 174.900 -0.045 0.000 1.509 143 G CA -0.971 44.144 45.100 0.024 0.000 0.806 143 G HN -0.103 nan 8.290 nan 0.000 0.546 144 P HA 0.328 nan 4.420 nan 0.000 0.262 144 P C 1.030 178.303 177.300 -0.045 0.000 1.199 144 P CA 1.871 64.936 63.100 -0.058 0.000 0.763 144 P CB 0.904 32.604 31.700 -0.001 0.000 0.790 145 G N 1.970 110.735 108.800 -0.059 0.000 2.159 145 G HA2 -0.257 3.703 3.960 0.000 0.000 0.256 145 G HA3 -0.257 3.703 3.960 0.000 0.000 0.256 145 G C 0.138 174.995 174.900 -0.072 0.000 0.977 145 G CA -0.301 44.771 45.100 -0.048 0.000 0.652 145 G HN 0.553 nan 8.290 nan 0.000 0.531 146 Q N -0.707 119.044 119.800 -0.082 0.000 2.368 146 Q HA 0.503 4.843 4.340 0.000 0.000 0.237 146 Q C 0.251 176.245 176.000 -0.011 0.000 0.987 146 Q CA -0.480 55.246 55.803 -0.128 0.000 0.896 146 Q CB 0.766 29.447 28.738 -0.095 0.000 1.241 146 Q HN 0.524 nan 8.270 nan 0.000 0.485 147 Y N 1.185 121.469 120.300 -0.027 0.000 2.357 147 Y HA 0.121 4.672 4.550 0.000 0.000 0.340 147 Y C -1.597 174.294 175.900 -0.015 0.000 1.260 147 Y CA -2.097 55.990 58.100 -0.021 0.000 1.425 147 Y CB 0.094 38.566 38.460 0.020 0.000 1.326 147 Y HN 0.453 nan 8.280 nan 0.000 0.580 148 P HA 0.067 nan 4.420 nan 0.000 0.274 148 P C -1.115 176.344 177.300 0.265 0.000 1.237 148 P CA 0.317 63.413 63.100 -0.006 0.000 0.793 148 P CB 1.321 32.701 31.700 -0.534 0.000 0.977 149 H N 1.188 120.376 119.070 0.196 0.000 3.079 149 H HA 0.194 4.750 4.556 0.000 0.000 0.356 149 H C 0.489 176.000 175.328 0.305 0.000 1.221 149 H CA -0.532 55.700 56.048 0.307 0.000 1.185 149 H CB 1.500 31.358 29.762 0.162 0.000 1.882 149 H HN 0.191 nan 8.280 nan 0.000 0.543 150 L N 2.412 123.771 121.223 0.227 0.000 2.141 150 L HA -0.095 4.245 4.340 0.000 0.000 0.209 150 L C 2.510 179.541 176.870 0.269 0.000 1.094 150 L CA 1.414 56.386 54.840 0.221 0.000 0.763 150 L CB -0.468 41.622 42.059 0.052 0.000 0.908 150 L HN 0.667 nan 8.230 nan 0.000 0.437 151 A N 1.076 124.177 122.820 0.468 0.000 1.845 151 A HA -0.112 4.208 4.320 0.000 0.000 0.215 151 A C -0.051 177.632 177.584 0.165 0.000 1.195 151 A CA 1.656 53.883 52.037 0.317 0.000 0.616 151 A CB -1.848 17.351 19.000 0.331 0.000 0.832 151 A HN 0.295 nan 8.150 nan 0.000 0.443 152 P HA -0.079 nan 4.420 nan 0.000 0.223 152 P C 1.281 178.584 177.300 0.005 0.000 1.151 152 P CA 1.552 64.671 63.100 0.033 0.000 0.787 152 P CB -0.315 31.408 31.700 0.038 0.000 0.788 153 T N 0.215 114.837 114.554 0.112 0.000 2.708 153 T HA -0.101 4.249 4.350 0.000 0.000 0.266 153 T C 1.781 176.434 174.700 -0.079 0.000 1.037 153 T CA 2.462 64.617 62.100 0.093 0.000 1.146 153 T CB -1.079 67.945 68.868 0.261 0.000 0.865 153 T HN 0.260 nan 8.240 nan 0.000 0.435 154 T N 1.956 116.488 114.554 -0.038 0.000 2.788 154 T HA 0.018 4.368 4.350 0.000 0.000 0.268 154 T C 2.359 176.934 174.700 -0.207 0.000 1.044 154 T CA 1.033 63.069 62.100 -0.106 0.000 1.139 154 T CB -0.503 68.335 68.868 -0.051 0.000 0.867 154 T HN 0.402 nan 8.240 nan 0.000 0.454 155 A N 1.560 124.259 122.820 -0.201 0.000 1.930 155 A HA 0.303 4.623 4.320 0.000 0.000 0.217 155 A C 2.679 180.113 177.584 -0.251 0.000 1.175 155 A CA 1.579 53.456 52.037 -0.266 0.000 0.627 155 A CB -1.107 17.791 19.000 -0.169 0.000 0.815 155 A HN 0.529 nan 8.150 nan 0.000 0.443 156 A N -0.514 122.093 122.820 -0.356 0.000 1.855 156 A HA 0.023 4.343 4.320 0.000 0.000 0.215 156 A C 2.233 179.540 177.584 -0.461 0.000 1.191 156 A CA 1.711 53.425 52.037 -0.538 0.000 0.613 156 A CB -1.024 17.248 19.000 -1.214 0.000 0.829 156 A HN 0.353 nan 8.150 nan 0.000 0.442 157 V N 1.030 120.678 119.914 -0.443 0.000 2.255 157 V HA -0.304 3.816 4.120 0.000 0.000 0.247 157 V C 2.388 178.398 176.094 -0.140 0.000 1.051 157 V CA 2.334 64.487 62.300 -0.246 0.000 1.018 157 V CB -1.112 30.598 31.823 -0.189 0.000 0.641 157 V HN 0.558 nan 8.190 nan 0.000 0.445 158 N N 0.514 119.114 118.700 -0.166 0.000 2.061 158 N HA -0.197 4.543 4.740 0.000 0.000 0.193 158 N C 1.853 177.373 175.510 0.015 0.000 1.030 158 N CA 1.909 54.893 53.050 -0.110 0.000 0.856 158 N CB -0.716 37.575 38.487 -0.327 0.000 1.023 158 N HN 0.508 nan 8.380 nan 0.000 0.424 159 A N 0.923 123.749 122.820 0.011 0.000 1.908 159 A HA -0.094 4.226 4.320 0.000 0.000 0.218 159 A C 2.375 179.962 177.584 0.006 0.000 1.181 159 A CA 1.105 53.171 52.037 0.050 0.000 0.627 159 A CB -0.797 18.211 19.000 0.012 0.000 0.818 159 A HN 0.270 nan 8.150 nan 0.000 0.445 160 L N -0.918 120.289 121.223 -0.027 0.000 2.083 160 L HA -0.233 4.107 4.340 0.000 0.000 0.209 160 L C 2.684 179.554 176.870 0.000 0.000 1.083 160 L CA 1.127 55.959 54.840 -0.013 0.000 0.752 160 L CB -0.712 41.361 42.059 0.024 0.000 0.899 160 L HN 0.493 nan 8.230 nan 0.000 0.433 161 C N -0.019 119.327 119.300 0.076 0.000 2.425 161 C HA -0.128 4.332 4.460 0.000 0.000 0.277 161 C C 2.725 177.751 174.990 0.059 0.000 1.280 161 C CA 0.368 59.466 59.018 0.134 0.000 1.744 161 C CB -0.620 27.190 27.740 0.117 0.000 1.989 161 C HN 0.428 nan 8.230 nan 0.000 0.491 162 I N 0.791 121.393 120.570 0.053 0.000 2.208 162 I HA -0.220 3.950 4.170 0.000 0.000 0.245 162 I C 2.211 178.324 176.117 -0.007 0.000 1.097 162 I CA 1.746 63.077 61.300 0.052 0.000 1.363 162 I CB -0.345 37.708 38.000 0.088 0.000 1.051 162 I HN 0.290 nan 8.210 nan 0.000 0.413 163 I N 0.470 121.013 120.570 -0.045 0.000 2.286 163 I HA -0.183 3.987 4.170 0.000 0.000 0.248 163 I C 1.972 177.979 176.117 -0.183 0.000 1.115 163 I CA 1.348 62.590 61.300 -0.098 0.000 1.392 163 I CB -0.692 37.248 38.000 -0.099 0.000 1.065 163 I HN 0.458 nan 8.210 nan 0.000 0.418 164 G N 0.999 109.625 108.800 -0.291 0.000 2.175 164 G HA2 -0.311 3.649 3.960 0.000 0.000 0.265 164 G HA3 -0.311 3.649 3.960 0.000 0.000 0.265 164 G C 0.553 175.057 174.900 -0.660 0.000 0.979 164 G CA 0.696 45.544 45.100 -0.419 0.000 0.663 164 G HN 0.530 nan 8.290 nan 0.000 0.533 165 T N -3.341 110.834 114.554 -0.633 0.000 2.897 165 T HA 0.650 5.001 4.350 0.000 0.000 0.278 165 T C 1.155 175.481 174.700 -0.624 0.000 0.981 165 T CA 0.252 62.068 62.100 -0.474 0.000 0.973 165 T CB 1.584 70.305 68.868 -0.246 0.000 1.092 165 T HN 0.024 nan 8.240 nan 0.000 0.543 166 E N 0.043 120.081 120.200 -0.269 0.000 2.150 166 E HA -0.127 4.223 4.350 0.000 0.000 0.193 166 E C 1.929 178.489 176.600 -0.067 0.000 0.985 166 E CA 0.781 57.118 56.400 -0.104 0.000 0.814 166 E CB -0.085 29.622 29.700 0.012 0.000 0.752 166 E HN 0.795 nan 8.360 nan 0.000 0.466 167 E N 0.585 120.735 120.200 -0.083 0.000 2.070 167 E HA -0.216 4.135 4.350 0.000 0.000 0.197 167 E C 1.956 178.537 176.600 -0.031 0.000 1.004 167 E CA 1.189 57.566 56.400 -0.038 0.000 0.805 167 E CB 0.039 29.713 29.700 -0.042 0.000 0.744 167 E HN 0.167 nan 8.360 nan 0.000 0.451 168 A N 0.233 122.985 122.820 -0.114 0.000 1.854 168 A HA -0.147 4.173 4.320 0.000 0.000 0.214 168 A C 1.958 179.571 177.584 0.049 0.000 1.192 168 A CA 1.170 53.160 52.037 -0.078 0.000 0.611 168 A CB -1.121 17.765 19.000 -0.190 0.000 0.832 168 A HN 0.410 nan 8.150 nan 0.000 0.442 169 Y N 0.409 120.700 120.300 -0.015 0.000 2.181 169 Y HA -0.299 4.251 4.550 0.000 0.000 0.284 169 Y C 2.228 178.240 175.900 0.187 0.000 1.179 169 Y CA 1.424 59.552 58.100 0.046 0.000 1.179 169 Y CB -0.431 37.745 38.460 -0.473 0.000 0.973 169 Y HN 0.461 nan 8.280 nan 0.000 0.519 170 N N -0.647 118.200 118.700 0.245 0.000 2.463 170 N HA -0.066 4.674 4.740 0.000 0.000 0.181 170 N C 1.472 177.086 175.510 0.174 0.000 1.078 170 N CA 0.299 53.474 53.050 0.209 0.000 0.902 170 N CB 0.074 38.643 38.487 0.137 0.000 0.970 170 N HN 0.052 nan 8.380 nan 0.000 0.451 171 V N 1.552 121.568 119.914 0.170 0.000 2.490 171 V HA -0.134 3.986 4.120 0.000 0.000 0.250 171 V C 0.979 177.185 176.094 0.187 0.000 1.061 171 V CA 1.058 63.451 62.300 0.156 0.000 1.064 171 V CB -0.359 31.568 31.823 0.173 0.000 0.670 171 V HN 0.263 nan 8.190 nan 0.000 0.461 172 I N 1.858 122.578 120.570 0.249 0.000 2.452 172 I HA 0.093 4.263 4.170 0.000 0.000 0.287 172 I C 0.537 176.744 176.117 0.150 0.000 1.079 172 I CA 0.190 61.634 61.300 0.239 0.000 1.387 172 I CB 0.156 38.291 38.000 0.226 0.000 1.404 172 I HN 0.137 nan 8.210 nan 0.000 0.522 173 N N 7.178 125.919 118.700 0.068 0.000 2.482 173 N HA 0.140 4.880 4.740 0.000 0.000 0.242 173 N C 0.900 176.432 175.510 0.037 0.000 1.100 173 N CA -0.140 52.932 53.050 0.037 0.000 0.946 173 N CB 0.648 39.120 38.487 -0.024 0.000 1.227 173 N HN 0.517 nan 8.380 nan 0.000 0.508 174 R N 2.213 122.746 120.500 0.055 0.000 2.115 174 R HA -0.097 4.243 4.340 0.000 0.000 0.230 174 R C 0.849 177.162 176.300 0.023 0.000 1.111 174 R CA 1.186 57.301 56.100 0.025 0.000 0.976 174 R CB 0.224 30.544 30.300 0.034 0.000 0.870 174 R HN 0.474 nan 8.270 nan 0.000 0.445 175 E N 0.818 121.039 120.200 0.035 0.000 2.047 175 E HA -0.113 4.237 4.350 0.000 0.000 0.191 175 E C 1.797 178.423 176.600 0.043 0.000 0.987 175 E CA 1.010 57.434 56.400 0.041 0.000 0.799 175 E CB 0.067 29.792 29.700 0.041 0.000 0.752 175 E HN 0.023 nan 8.360 nan 0.000 0.449 176 K N 0.349 120.765 120.400 0.028 0.000 2.155 176 K HA -0.038 4.282 4.320 0.000 0.000 0.203 176 K C 2.077 178.710 176.600 0.054 0.000 1.052 176 K CA 0.404 56.706 56.287 0.025 0.000 0.948 176 K CB -0.532 31.954 32.500 -0.024 0.000 0.728 176 K HN 0.112 nan 8.250 nan 0.000 0.448 177 L N 1.156 122.406 121.223 0.044 0.000 2.012 177 L HA -0.152 4.188 4.340 0.000 0.000 0.210 177 L C 2.105 179.022 176.870 0.079 0.000 1.073 177 L CA 1.378 56.268 54.840 0.083 0.000 0.748 177 L CB -0.689 41.403 42.059 0.055 0.000 0.891 177 L HN 0.086 nan 8.230 nan 0.000 0.431 178 L N -0.729 120.512 121.223 0.030 0.000 2.093 178 L HA -0.191 4.149 4.340 0.000 0.000 0.208 178 L C 2.499 179.403 176.870 0.056 0.000 1.085 178 L CA 1.649 56.478 54.840 -0.018 0.000 0.755 178 L CB -0.710 41.346 42.059 -0.005 0.000 0.904 178 L HN 0.460 nan 8.230 nan 0.000 0.435 179 Q N -1.647 118.234 119.800 0.134 0.000 2.050 179 Q HA -0.284 4.056 4.340 0.000 0.000 0.202 179 Q C 2.204 178.307 176.000 0.171 0.000 0.980 179 Q CA 2.013 57.925 55.803 0.183 0.000 0.840 179 Q CB -0.818 27.998 28.738 0.130 0.000 0.898 179 Q HN 0.552 nan 8.270 nan 0.000 0.424 180 Y N 1.974 122.290 120.300 0.026 0.000 2.102 180 Y HA -0.263 4.287 4.550 0.000 0.000 0.280 180 Y C 1.938 177.851 175.900 0.022 0.000 1.178 180 Y CA 1.442 59.551 58.100 0.016 0.000 1.146 180 Y CB -0.469 37.993 38.460 0.004 0.000 0.968 180 Y HN 0.016 nan 8.280 nan 0.000 0.504 181 L N -1.617 119.546 121.223 -0.099 0.000 2.046 181 L HA -0.280 4.060 4.340 0.000 0.000 0.208 181 L C 2.306 179.092 176.870 -0.140 0.000 1.077 181 L CA 1.642 56.369 54.840 -0.188 0.000 0.747 181 L CB -0.869 41.071 42.059 -0.198 0.000 0.896 181 L HN 0.260 nan 8.230 nan 0.000 0.432 182 Y N 0.144 120.394 120.300 -0.084 0.000 2.181 182 Y HA -0.311 4.239 4.550 0.000 0.000 0.288 182 Y C 3.099 178.910 175.900 -0.148 0.000 1.146 182 Y CA 1.495 59.523 58.100 -0.120 0.000 1.164 182 Y CB -0.221 38.184 38.460 -0.090 0.000 0.982 182 Y HN 0.301 nan 8.280 nan 0.000 0.515 183 S N 0.038 115.756 115.700 0.030 0.000 2.440 183 S HA -0.179 4.291 4.470 0.000 0.000 0.238 183 S C 1.524 176.049 174.600 -0.125 0.000 1.010 183 S CA 1.374 59.550 58.200 -0.040 0.000 0.972 183 S CB -0.693 62.504 63.200 -0.005 0.000 0.774 183 S HN 0.511 nan 8.310 nan 0.000 0.501 184 L N -0.317 120.796 121.223 -0.184 0.000 2.513 184 L HA 0.359 4.699 4.340 0.000 0.000 0.222 184 L C 0.946 177.649 176.870 -0.278 0.000 1.096 184 L CA -0.188 54.537 54.840 -0.192 0.000 0.857 184 L CB -0.163 41.799 42.059 -0.162 0.000 1.026 184 L HN 0.094 nan 8.230 nan 0.000 0.469 185 K N 1.663 121.813 120.400 -0.416 0.000 2.412 185 K HA 0.086 4.407 4.320 0.000 0.000 0.281 185 K C -0.273 176.028 176.600 -0.499 0.000 1.027 185 K CA 0.354 56.161 56.287 -0.801 0.000 0.989 185 K CB 0.478 32.585 32.500 -0.655 0.000 0.935 185 K HN -0.084 nan 8.250 nan 0.000 0.475 186 Q N 5.098 124.573 119.800 -0.541 0.000 2.248 186 Q HA 0.280 4.620 4.340 0.000 0.000 0.263 186 Q C -1.706 174.130 176.000 -0.274 0.000 1.007 186 Q CA -2.163 53.434 55.803 -0.344 0.000 0.877 186 Q CB 0.812 29.349 28.738 -0.335 0.000 1.315 186 Q HN 0.491 nan 8.270 nan 0.000 0.454 187 P HA -0.238 nan 4.420 nan 0.000 0.216 187 P C 0.561 177.796 177.300 -0.108 0.000 1.167 187 P CA 1.858 64.885 63.100 -0.121 0.000 0.914 187 P CB -0.011 31.638 31.700 -0.085 0.000 0.793 188 D N -1.503 118.835 120.400 -0.103 0.000 2.358 188 D HA 0.046 4.686 4.640 0.000 0.000 0.241 188 D C 1.423 177.692 176.300 -0.051 0.000 1.094 188 D CA 0.873 54.851 54.000 -0.037 0.000 0.907 188 D CB -0.875 39.941 40.800 0.027 0.000 0.893 188 D HN 0.419 nan 8.370 nan 0.000 0.528 189 G N -0.287 108.417 108.800 -0.160 0.000 2.279 189 G HA2 -0.294 3.666 3.960 0.000 0.000 0.223 189 G HA3 -0.294 3.666 3.960 0.000 0.000 0.223 189 G C 0.544 175.258 174.900 -0.310 0.000 1.015 189 G CA 0.331 45.353 45.100 -0.131 0.000 0.621 189 G HN 0.841 nan 8.290 nan 0.000 0.506 190 S N -0.017 115.277 115.700 -0.677 0.000 2.617 190 S HA 0.750 5.220 4.470 0.000 0.000 0.259 190 S C -0.280 173.952 174.600 -0.613 0.000 1.301 190 S CA -0.081 57.580 58.200 -0.899 0.000 0.984 190 S CB 1.152 63.428 63.200 -1.542 0.000 0.954 190 S HN 0.641 nan 8.310 nan 0.000 0.572 191 F N -0.495 119.186 119.950 -0.448 0.000 2.565 191 F HA 0.494 5.021 4.527 0.000 0.000 0.313 191 F C -0.007 175.629 175.800 -0.274 0.000 1.091 191 F CA -1.061 56.760 58.000 -0.298 0.000 0.915 191 F CB 1.438 40.307 39.000 -0.218 0.000 1.208 191 F HN 0.453 nan 8.300 nan 0.000 0.453 192 L N 3.605 124.779 121.223 -0.082 0.000 2.452 192 L HA 0.095 4.435 4.340 0.000 0.000 0.267 192 L C 1.368 178.166 176.870 -0.119 0.000 1.188 192 L CA -0.525 54.233 54.840 -0.136 0.000 0.821 192 L CB 0.428 42.373 42.059 -0.188 0.000 1.102 192 L HN 0.690 nan 8.230 nan 0.000 0.470 193 M N 0.659 120.160 119.600 -0.165 0.000 2.200 193 M HA -0.034 4.446 4.480 0.000 0.000 0.265 193 M C 0.510 176.660 176.300 -0.249 0.000 1.066 193 M CA 1.398 56.579 55.300 -0.199 0.000 1.127 193 M CB -0.946 31.574 32.600 -0.133 0.000 1.379 193 M HN 0.781 nan 8.290 nan 0.000 0.420 194 H N -4.908 114.052 119.070 -0.184 0.000 3.014 194 H HA 0.537 5.093 4.556 0.000 0.000 0.337 194 H C -0.810 174.528 175.328 0.017 0.000 1.320 194 H CA -1.247 54.786 56.048 -0.026 0.000 1.128 194 H CB 0.565 30.365 29.762 0.063 0.000 1.862 194 H HN -0.240 nan 8.280 nan 0.000 0.536 195 V N 1.661 121.675 119.914 0.167 0.000 2.617 195 V HA 0.202 4.322 4.120 0.000 0.000 0.304 195 V C 1.610 177.730 176.094 0.043 0.000 1.040 195 V CA 1.801 64.136 62.300 0.058 0.000 1.149 195 V CB 0.323 32.190 31.823 0.074 0.000 0.914 195 V HN 1.348 nan 8.190 nan 0.000 0.487 196 G N 3.571 112.343 108.800 -0.046 0.000 2.187 196 G HA2 -0.187 3.773 3.960 0.000 0.000 0.261 196 G HA3 -0.187 3.773 3.960 0.000 0.000 0.261 196 G C 0.536 175.340 174.900 -0.159 0.000 1.000 196 G CA 0.323 45.397 45.100 -0.043 0.000 0.718 196 G HN 1.360 nan 8.290 nan 0.000 0.519 197 G N -1.227 107.293 108.800 -0.466 0.000 2.537 197 G HA2 0.628 4.589 3.960 0.000 0.000 0.297 197 G HA3 0.628 4.589 3.960 0.000 0.000 0.297 197 G C -0.148 174.547 174.900 -0.342 0.000 1.310 197 G CA -0.144 44.450 45.100 -0.844 0.000 1.027 197 G HN 0.399 nan 8.290 nan 0.000 0.505 198 E N -1.943 118.125 120.200 -0.220 0.000 2.267 198 E HA 0.512 4.862 4.350 0.000 0.000 0.258 198 E C -0.809 175.742 176.600 -0.082 0.000 1.074 198 E CA -0.643 55.701 56.400 -0.093 0.000 0.915 198 E CB 2.079 31.774 29.700 -0.008 0.000 1.186 198 E HN 0.113 nan 8.360 nan 0.000 0.439 199 V N 2.128 122.012 119.914 -0.050 0.000 2.483 199 V HA 0.327 4.447 4.120 0.000 0.000 0.295 199 V C -0.660 175.457 176.094 0.039 0.000 1.035 199 V CA -0.025 62.240 62.300 -0.057 0.000 0.896 199 V CB 1.534 33.285 31.823 -0.120 0.000 0.986 199 V HN 0.811 nan 8.190 nan 0.000 0.447 200 D N 2.841 123.289 120.400 0.080 0.000 2.713 200 D HA 0.066 4.706 4.640 0.000 0.000 0.306 200 D C 0.307 176.795 176.300 0.312 0.000 1.299 200 D CA -0.253 53.873 54.000 0.210 0.000 0.823 200 D CB 1.432 42.278 40.800 0.076 0.000 1.353 200 D HN 0.194 nan 8.370 nan 0.000 0.447 201 V N 0.567 120.712 119.914 0.385 0.000 2.626 201 V HA -0.118 4.002 4.120 0.000 0.000 0.252 201 V C 2.185 178.489 176.094 0.349 0.000 1.067 201 V CA 1.823 64.395 62.300 0.453 0.000 1.081 201 V CB -0.599 31.405 31.823 0.302 0.000 0.686 201 V HN 0.555 nan 8.190 nan 0.000 0.468 202 R N 0.698 121.419 120.500 0.367 0.000 2.117 202 R HA -0.159 4.181 4.340 0.000 0.000 0.243 202 R C 2.590 179.035 176.300 0.241 0.000 1.143 202 R CA 1.834 58.116 56.100 0.304 0.000 0.968 202 R CB -0.509 29.954 30.300 0.273 0.000 0.863 202 R HN 0.787 nan 8.270 nan 0.000 0.444 203 S N 0.171 115.971 115.700 0.167 0.000 2.406 203 S HA -0.034 4.436 4.470 0.000 0.000 0.228 203 S C 2.183 176.735 174.600 -0.079 0.000 1.020 203 S CA 0.791 59.021 58.200 0.051 0.000 0.965 203 S CB -0.010 63.210 63.200 0.034 0.000 0.798 203 S HN 0.348 nan 8.310 nan 0.000 0.488 204 A N 1.149 123.978 122.820 0.015 0.000 1.877 204 A HA -0.037 4.283 4.320 0.000 0.000 0.216 204 A C 2.076 179.613 177.584 -0.078 0.000 1.186 204 A CA 1.592 53.603 52.037 -0.045 0.000 0.620 204 A CB -1.496 17.624 19.000 0.200 0.000 0.822 204 A HN 0.693 nan 8.150 nan 0.000 0.443 205 Y N 0.308 120.581 120.300 -0.045 0.000 2.151 205 Y HA -0.333 4.217 4.550 0.000 0.000 0.284 205 Y C 2.560 178.420 175.900 -0.067 0.000 1.166 205 Y CA 1.618 59.685 58.100 -0.055 0.000 1.163 205 Y CB -0.869 37.613 38.460 0.037 0.000 0.974 205 Y HN 0.390 nan 8.280 nan 0.000 0.511 206 C N 0.214 119.443 119.300 -0.117 0.000 2.436 206 C HA -0.115 4.346 4.460 0.000 0.000 0.277 206 C C 3.094 177.929 174.990 -0.259 0.000 1.241 206 C CA 1.319 60.229 59.018 -0.180 0.000 1.721 206 C CB -1.756 25.980 27.740 -0.008 0.000 2.043 206 C HN 0.758 nan 8.230 nan 0.000 0.472 207 A N 0.634 123.263 122.820 -0.320 0.000 1.892 207 A HA -0.100 4.220 4.320 0.000 0.000 0.218 207 A C 2.351 179.878 177.584 -0.094 0.000 1.188 207 A CA 2.548 54.386 52.037 -0.332 0.000 0.631 207 A CB -1.062 17.408 19.000 -0.883 0.000 0.822 207 A HN 0.641 nan 8.150 nan 0.000 0.447 208 A N -1.170 121.505 122.820 -0.242 0.000 1.933 208 A HA -0.081 4.239 4.320 0.000 0.000 0.218 208 A C 2.482 179.889 177.584 -0.294 0.000 1.175 208 A CA 2.217 54.008 52.037 -0.411 0.000 0.628 208 A CB -0.887 17.759 19.000 -0.590 0.000 0.814 208 A HN 0.581 nan 8.150 nan 0.000 0.444 209 S N -0.451 115.010 115.700 -0.398 0.000 2.345 209 S HA -0.139 4.331 4.470 0.000 0.000 0.220 209 S C 2.101 176.652 174.600 -0.082 0.000 1.031 209 S CA 2.050 60.085 58.200 -0.275 0.000 0.996 209 S CB -0.793 62.077 63.200 -0.549 0.000 0.882 209 S HN 0.943 nan 8.310 nan 0.000 0.445 210 V N 0.695 120.529 119.914 -0.133 0.000 2.358 210 V HA 0.104 4.224 4.120 0.000 0.000 0.246 210 V C 2.538 178.573 176.094 -0.098 0.000 1.047 210 V CA 1.695 63.932 62.300 -0.104 0.000 1.035 210 V CB -1.700 30.075 31.823 -0.080 0.000 0.658 210 V HN 0.498 nan 8.190 nan 0.000 0.452 211 A N 1.510 124.298 122.820 -0.053 0.000 1.933 211 A HA -0.146 4.174 4.320 0.000 0.000 0.218 211 A C 2.591 180.158 177.584 -0.028 0.000 1.175 211 A CA 2.585 54.611 52.037 -0.017 0.000 0.628 211 A CB -0.959 18.119 19.000 0.130 0.000 0.814 211 A HN 0.954 nan 8.150 nan 0.000 0.444 212 S N -0.523 115.168 115.700 -0.015 0.000 2.425 212 S HA 0.050 4.520 4.470 0.000 0.000 0.225 212 S C 1.837 176.417 174.600 -0.033 0.000 1.024 212 S CA 1.043 59.244 58.200 0.000 0.000 0.951 212 S CB -0.528 62.691 63.200 0.031 0.000 0.796 212 S HN 0.412 nan 8.310 nan 0.000 0.498 213 L N 1.903 123.073 121.223 -0.089 0.000 2.095 213 L HA 0.018 4.358 4.340 0.000 0.000 0.204 213 L C 2.891 179.604 176.870 -0.260 0.000 1.080 213 L CA 1.482 56.213 54.840 -0.182 0.000 0.759 213 L CB -1.008 40.895 42.059 -0.260 0.000 0.914 213 L HN 0.533 nan 8.230 nan 0.000 0.439 214 T N -3.720 110.587 114.554 -0.411 0.000 3.148 214 T HA 0.002 4.352 4.350 0.000 0.000 0.253 214 T C 0.819 175.326 174.700 -0.323 0.000 1.134 214 T CA 0.267 61.910 62.100 -0.763 0.000 1.051 214 T CB -0.486 67.957 68.868 -0.708 0.000 0.959 214 T HN 0.346 nan 8.240 nan 0.000 0.525 215 N N 0.974 119.596 118.700 -0.130 0.000 2.708 215 N HA -0.165 4.575 4.740 0.000 0.000 0.255 215 N C 0.132 175.599 175.510 -0.072 0.000 1.046 215 N CA 0.873 53.895 53.050 -0.046 0.000 0.715 215 N CB -1.823 36.685 38.487 0.035 0.000 0.895 215 N HN 0.911 nan 8.380 nan 0.000 0.545 216 I N -2.597 117.919 120.570 -0.090 0.000 3.817 216 I HA 0.379 4.549 4.170 0.000 0.000 0.325 216 I C -0.049 175.997 176.117 -0.117 0.000 1.550 216 I CA -0.666 60.570 61.300 -0.106 0.000 1.100 216 I CB 0.217 38.156 38.000 -0.102 0.000 1.216 216 I HN 0.010 nan 8.210 nan 0.000 0.481 217 I N 3.454 123.978 120.570 -0.076 0.000 2.452 217 I HA 0.158 4.328 4.170 0.000 0.000 0.287 217 I C 0.821 176.860 176.117 -0.130 0.000 1.079 217 I CA 0.163 61.441 61.300 -0.036 0.000 1.387 217 I CB 0.975 39.024 38.000 0.082 0.000 1.404 217 I HN 0.371 nan 8.210 nan 0.000 0.522 218 T N 3.725 118.199 114.554 -0.133 0.000 2.944 218 T HA 0.365 4.715 4.350 0.000 0.000 0.284 218 T C -1.352 173.350 174.700 0.002 0.000 1.010 218 T CA -1.815 60.211 62.100 -0.124 0.000 1.025 218 T CB 1.686 70.554 68.868 0.000 0.000 1.079 218 T HN 0.381 nan 8.240 nan 0.000 0.516 219 P HA -0.151 nan 4.420 nan 0.000 0.217 219 P C 0.832 178.191 177.300 0.098 0.000 1.151 219 P CA 1.507 64.671 63.100 0.106 0.000 0.849 219 P CB 0.063 31.852 31.700 0.148 0.000 0.787 220 D N -1.655 118.806 120.400 0.102 0.000 2.407 220 D HA -0.013 4.627 4.640 0.000 0.000 0.208 220 D C 1.937 178.263 176.300 0.044 0.000 1.083 220 D CA -0.239 53.814 54.000 0.088 0.000 0.844 220 D CB -0.664 40.195 40.800 0.098 0.000 0.967 220 D HN -0.004 nan 8.370 nan 0.000 0.506 221 L N 0.651 121.843 121.223 -0.051 0.000 2.021 221 L HA -0.134 4.206 4.340 0.000 0.000 0.215 221 L C 1.305 177.906 176.870 -0.447 0.000 1.074 221 L CA 1.798 56.414 54.840 -0.374 0.000 0.760 221 L CB -0.858 40.804 42.059 -0.661 0.000 0.889 221 L HN -0.040 nan 8.230 nan 0.000 0.433 222 F N -0.652 119.336 119.950 0.063 0.000 2.639 222 F HA 0.242 4.769 4.527 0.000 0.000 0.300 222 F C 0.920 176.760 175.800 0.066 0.000 1.109 222 F CA -0.528 57.531 58.000 0.098 0.000 1.335 222 F CB -0.282 38.765 39.000 0.080 0.000 1.014 222 F HN 0.049 nan 8.300 nan 0.000 0.537 223 E N 0.439 120.716 120.200 0.128 0.000 2.493 223 E HA 0.242 4.592 4.350 0.000 0.000 0.255 223 E C 1.280 177.925 176.600 0.075 0.000 0.999 223 E CA 1.133 57.588 56.400 0.090 0.000 0.934 223 E CB 0.196 29.924 29.700 0.046 0.000 0.940 223 E HN 0.526 nan 8.360 nan 0.000 0.473 224 G N 3.047 111.905 108.800 0.096 0.000 2.253 224 G HA2 -0.362 3.598 3.960 0.000 0.000 0.251 224 G HA3 -0.362 3.598 3.960 0.000 0.000 0.251 224 G C 1.164 176.162 174.900 0.164 0.000 0.998 224 G CA 0.568 45.728 45.100 0.100 0.000 0.621 224 G HN 0.610 nan 8.290 nan 0.000 0.524 225 T N 1.171 115.850 114.554 0.207 0.000 2.708 225 T HA 0.154 4.504 4.350 0.000 0.000 0.266 225 T C 2.747 177.612 174.700 0.276 0.000 1.037 225 T CA 2.514 64.792 62.100 0.296 0.000 1.146 225 T CB -0.472 68.664 68.868 0.447 0.000 0.865 225 T HN 1.250 nan 8.240 nan 0.000 0.435 226 A N 1.298 124.228 122.820 0.183 0.000 2.019 226 A HA -0.088 4.232 4.320 0.000 0.000 0.219 226 A C 2.167 179.814 177.584 0.106 0.000 1.164 226 A CA 1.456 53.564 52.037 0.118 0.000 0.644 226 A CB -0.423 18.617 19.000 0.068 0.000 0.805 226 A HN 0.436 nan 8.150 nan 0.000 0.449 227 E N -1.543 118.732 120.200 0.125 0.000 2.112 227 E HA -0.115 4.235 4.350 0.000 0.000 0.190 227 E C 1.506 178.166 176.600 0.099 0.000 0.979 227 E CA 0.911 57.365 56.400 0.089 0.000 0.814 227 E CB -0.356 29.396 29.700 0.086 0.000 0.762 227 E HN 0.820 nan 8.360 nan 0.000 0.460 228 W N 1.251 122.561 121.300 0.017 0.000 2.335 228 W HA -0.160 4.500 4.660 0.000 0.000 0.311 228 W C 1.688 178.209 176.519 0.002 0.000 1.213 228 W CA 1.678 59.029 57.345 0.011 0.000 1.274 228 W CB -0.250 29.226 29.460 0.026 0.000 1.148 228 W HN -0.022 nan 8.180 nan 0.000 0.498 229 I N 0.693 121.363 120.570 0.166 0.000 2.151 229 I HA -0.362 3.808 4.170 0.000 0.000 0.243 229 I C 2.545 178.544 176.117 -0.196 0.000 1.080 229 I CA 1.700 62.979 61.300 -0.035 0.000 1.339 229 I CB -1.148 36.910 38.000 0.097 0.000 1.039 229 I HN 0.107 nan 8.210 nan 0.000 0.409 230 A N 0.651 123.399 122.820 -0.120 0.000 2.067 230 A HA -0.142 4.178 4.320 0.000 0.000 0.219 230 A C 2.290 179.764 177.584 -0.184 0.000 1.158 230 A CA 1.092 53.051 52.037 -0.130 0.000 0.661 230 A CB -0.527 18.430 19.000 -0.071 0.000 0.801 230 A HN 0.358 nan 8.150 nan 0.000 0.452 231 R N -1.223 119.127 120.500 -0.249 0.000 2.285 231 R HA -0.061 4.279 4.340 0.000 0.000 0.213 231 R C 1.563 177.661 176.300 -0.337 0.000 1.068 231 R CA 1.090 57.030 56.100 -0.268 0.000 1.004 231 R CB -0.554 29.575 30.300 -0.285 0.000 0.873 231 R HN 0.581 nan 8.270 nan 0.000 0.467 232 C N 0.254 119.293 119.300 -0.435 0.000 2.533 232 C HA 0.016 4.476 4.460 0.000 0.000 0.272 232 C C 1.329 176.134 174.990 -0.309 0.000 1.371 232 C CA -0.413 58.347 59.018 -0.431 0.000 1.758 232 C CB -0.598 26.824 27.740 -0.530 0.000 1.972 232 C HN 0.462 nan 8.230 nan 0.000 0.522 233 Q N 2.582 122.225 119.800 -0.262 0.000 2.311 233 Q HA 0.141 4.481 4.340 0.000 0.000 0.272 233 Q C 0.151 176.016 176.000 -0.224 0.000 1.012 233 Q CA 0.450 56.105 55.803 -0.248 0.000 0.891 233 Q CB 0.532 29.155 28.738 -0.192 0.000 1.201 233 Q HN 0.712 nan 8.270 nan 0.000 0.391 234 N N 3.307 121.838 118.700 -0.281 0.000 3.002 234 N HA 0.140 4.880 4.740 0.000 0.000 0.331 234 N C 0.536 175.913 175.510 -0.222 0.000 1.384 234 N CA -0.709 52.205 53.050 -0.226 0.000 0.780 234 N CB -0.248 38.069 38.487 -0.284 0.000 1.492 234 N HN 0.892 nan 8.380 nan 0.000 0.608 235 W N -0.456 120.791 121.300 -0.088 0.000 2.560 235 W HA 0.037 4.697 4.660 0.000 0.000 0.252 235 W C -0.018 176.479 176.519 -0.037 0.000 1.242 235 W CA 0.511 57.825 57.345 -0.052 0.000 1.242 235 W CB -0.775 28.667 29.460 -0.030 0.000 1.136 235 W HN 0.605 nan 8.180 nan 0.000 0.625 236 E N -0.121 119.629 120.200 -0.751 0.000 2.364 236 E HA 0.241 4.591 4.350 0.000 0.000 0.196 236 E C 2.029 178.437 176.600 -0.320 0.000 0.990 236 E CA 0.580 56.596 56.400 -0.641 0.000 0.886 236 E CB 0.145 29.314 29.700 -0.884 0.000 0.866 236 E HN 0.305 nan 8.360 nan 0.000 0.493 237 G N 1.157 109.728 108.800 -0.383 0.000 2.376 237 G HA2 -0.223 3.737 3.960 0.000 0.000 0.208 237 G HA3 -0.223 3.737 3.960 0.000 0.000 0.208 237 G C 0.681 175.289 174.900 -0.486 0.000 1.032 237 G CA -0.336 44.608 45.100 -0.259 0.000 0.641 237 G HN 0.490 nan 8.290 nan 0.000 0.503 238 G N -0.120 107.989 108.800 -1.151 0.000 2.588 238 G HA2 0.579 4.539 3.960 0.000 0.000 0.278 238 G HA3 0.579 4.539 3.960 0.000 0.000 0.278 238 G C -0.161 174.247 174.900 -0.820 0.000 1.307 238 G CA -0.202 44.010 45.100 -1.480 0.000 1.016 238 G HN 0.734 nan 8.290 nan 0.000 0.503 239 I N -0.228 119.956 120.570 -0.643 0.000 2.530 239 I HA 0.517 4.687 4.170 0.000 0.000 0.297 239 I C 0.777 176.740 176.117 -0.256 0.000 1.011 239 I CA -0.694 60.386 61.300 -0.367 0.000 1.107 239 I CB 2.270 40.131 38.000 -0.232 0.000 1.285 239 I HN 0.608 nan 8.210 nan 0.000 0.436 240 G N 2.204 110.859 108.800 -0.240 0.000 2.601 240 G HA2 0.458 4.419 3.960 0.000 0.000 0.317 240 G HA3 0.458 4.419 3.960 0.000 0.000 0.317 240 G C 0.787 175.471 174.900 -0.360 0.000 1.246 240 G CA -0.238 44.746 45.100 -0.195 0.000 1.012 240 G HN 0.771 nan 8.290 nan 0.000 0.494 241 G N -1.590 106.828 108.800 -0.636 0.000 2.422 241 G HA2 0.297 4.257 3.960 0.000 0.000 0.218 241 G HA3 0.297 4.257 3.960 0.000 0.000 0.218 241 G C 0.567 175.182 174.900 -0.475 0.000 1.140 241 G CA 1.791 46.183 45.100 -1.180 0.000 0.775 241 G HN 1.539 nan 8.290 nan 0.000 0.545 242 V N -4.875 114.848 119.914 -0.319 0.000 3.147 242 V HA 0.637 4.757 4.120 0.000 0.000 0.306 242 V C -3.063 172.881 176.094 -0.250 0.000 1.209 242 V CA -2.937 59.242 62.300 -0.203 0.000 1.023 242 V CB 1.725 33.547 31.823 -0.001 0.000 1.059 242 V HN -0.133 nan 8.190 nan 0.000 0.435 243 P HA 0.325 nan 4.420 nan 0.000 0.260 243 P C 0.995 178.223 177.300 -0.121 0.000 1.172 243 P CA 2.217 65.175 63.100 -0.236 0.000 0.760 243 P CB 0.483 32.051 31.700 -0.221 0.000 0.773 244 G N 1.800 110.545 108.800 -0.092 0.000 2.232 244 G HA2 -0.192 3.768 3.960 0.000 0.000 0.226 244 G HA3 -0.192 3.768 3.960 0.000 0.000 0.226 244 G C 0.136 175.033 174.900 -0.004 0.000 0.996 244 G CA -0.444 44.642 45.100 -0.024 0.000 0.626 244 G HN 0.402 nan 8.290 nan 0.000 0.509 245 M N 1.361 120.926 119.600 -0.059 0.000 2.342 245 M HA 0.461 4.941 4.480 0.000 0.000 0.332 245 M C 0.691 176.963 176.300 -0.047 0.000 1.166 245 M CA -1.124 54.150 55.300 -0.044 0.000 1.086 245 M CB 1.046 33.589 32.600 -0.094 0.000 1.541 245 M HN 0.397 nan 8.290 nan 0.000 0.462 246 E N 1.088 121.293 120.200 0.008 0.000 2.436 246 E HA 0.266 4.616 4.350 0.000 0.000 0.262 246 E C -0.747 175.823 176.600 -0.051 0.000 1.063 246 E CA -0.276 56.124 56.400 0.001 0.000 0.944 246 E CB 0.758 30.511 29.700 0.088 0.000 0.950 246 E HN 0.703 nan 8.360 nan 0.000 0.444 247 A N 4.210 126.937 122.820 -0.155 0.000 2.388 247 A HA 0.220 4.540 4.320 0.000 0.000 0.257 247 A C -0.637 176.999 177.584 0.086 0.000 1.095 247 A CA -0.178 51.706 52.037 -0.256 0.000 0.791 247 A CB 0.573 19.107 19.000 -0.777 0.000 1.029 247 A HN 0.713 nan 8.150 nan 0.000 0.489 248 H N 1.100 120.182 119.070 0.020 0.000 2.865 248 H HA 0.348 4.904 4.556 0.000 0.000 0.362 248 H C 1.217 176.658 175.328 0.188 0.000 1.114 248 H CA 0.177 56.328 56.048 0.172 0.000 1.208 248 H CB 1.881 31.751 29.762 0.179 0.000 1.727 248 H HN 0.736 nan 8.280 nan 0.000 0.534 249 G N 2.323 111.144 108.800 0.035 0.000 2.505 249 G HA2 -0.300 3.661 3.960 0.000 0.000 0.220 249 G HA3 -0.300 3.661 3.960 0.000 0.000 0.220 249 G C 1.486 176.509 174.900 0.206 0.000 1.145 249 G CA 0.980 46.179 45.100 0.164 0.000 0.761 249 G HN 0.656 nan 8.290 nan 0.000 0.571 250 G N -0.310 108.575 108.800 0.143 0.000 2.402 250 G HA2 -0.114 3.847 3.960 0.000 0.000 0.216 250 G HA3 -0.114 3.847 3.960 0.000 0.000 0.216 250 G C 1.615 176.348 174.900 -0.278 0.000 1.162 250 G CA 0.804 45.655 45.100 -0.416 0.000 0.777 250 G HN 0.520 nan 8.290 nan 0.000 0.539 251 Y N 0.881 121.185 120.300 0.007 0.000 2.314 251 Y HA -0.060 4.491 4.550 0.000 0.000 0.293 251 Y C 3.310 179.201 175.900 -0.014 0.000 1.129 251 Y CA 1.188 59.279 58.100 -0.015 0.000 1.201 251 Y CB -0.252 38.192 38.460 -0.026 0.000 0.999 251 Y HN 0.103 nan 8.280 nan 0.000 0.541 252 T N 0.619 115.258 114.554 0.141 0.000 2.708 252 T HA -0.231 4.119 4.350 0.000 0.000 0.266 252 T C 1.581 176.317 174.700 0.059 0.000 1.037 252 T CA 1.576 63.698 62.100 0.036 0.000 1.146 252 T CB -0.681 68.197 68.868 0.016 0.000 0.865 252 T HN 0.372 nan 8.240 nan 0.000 0.435 253 F N 1.467 121.432 119.950 0.025 0.000 2.095 253 F HA -0.207 4.320 4.527 0.000 0.000 0.298 253 F C 2.438 178.195 175.800 -0.072 0.000 1.104 253 F CA 0.977 58.981 58.000 0.008 0.000 1.232 253 F CB -0.781 38.305 39.000 0.144 0.000 0.987 253 F HN 0.171 nan 8.300 nan 0.000 0.475 254 C N 0.966 120.219 119.300 -0.079 0.000 2.432 254 C HA -0.087 4.373 4.460 0.000 0.000 0.277 254 C C 3.098 178.026 174.990 -0.104 0.000 1.249 254 C CA 1.136 60.011 59.018 -0.238 0.000 1.725 254 C CB -1.967 25.784 27.740 0.018 0.000 2.028 254 C HN 0.756 nan 8.230 nan 0.000 0.477 255 G N 0.584 109.365 108.800 -0.032 0.000 2.587 255 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 255 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 255 G C 1.458 176.300 174.900 -0.096 0.000 1.240 255 G CA 1.260 46.343 45.100 -0.029 0.000 0.794 255 G HN 0.407 nan 8.290 nan 0.000 0.580 256 L N 1.596 122.726 121.223 -0.155 0.000 1.990 256 L HA -0.050 4.290 4.340 0.000 0.000 0.213 256 L C 3.181 179.917 176.870 -0.223 0.000 1.072 256 L CA 2.544 57.281 54.840 -0.173 0.000 0.755 256 L CB -1.079 40.874 42.059 -0.177 0.000 0.889 256 L HN 0.303 nan 8.230 nan 0.000 0.432 257 A N -0.851 121.725 122.820 -0.405 0.000 1.908 257 A HA -0.131 4.189 4.320 0.000 0.000 0.218 257 A C 2.445 179.946 177.584 -0.138 0.000 1.181 257 A CA 2.099 53.917 52.037 -0.365 0.000 0.627 257 A CB -1.208 17.358 19.000 -0.722 0.000 0.818 257 A HN 0.611 nan 8.150 nan 0.000 0.445 258 A N -0.117 122.687 122.820 -0.026 0.000 1.883 258 A HA -0.098 4.222 4.320 0.000 0.000 0.217 258 A C 2.183 179.685 177.584 -0.136 0.000 1.186 258 A CA 1.597 53.596 52.037 -0.063 0.000 0.624 258 A CB -0.676 18.329 19.000 0.010 0.000 0.822 258 A HN 0.491 nan 8.150 nan 0.000 0.444 259 L N -0.582 120.584 121.223 -0.095 0.000 2.042 259 L HA -0.182 4.159 4.340 0.000 0.000 0.210 259 L C 2.541 179.360 176.870 -0.085 0.000 1.076 259 L CA 1.220 56.011 54.840 -0.082 0.000 0.749 259 L CB -0.742 41.285 42.059 -0.054 0.000 0.893 259 L HN 0.250 nan 8.230 nan 0.000 0.432 260 V N 0.328 120.188 119.914 -0.090 0.000 2.332 260 V HA -0.322 3.799 4.120 0.000 0.000 0.248 260 V C 2.363 178.411 176.094 -0.077 0.000 1.055 260 V CA 1.903 64.163 62.300 -0.067 0.000 1.038 260 V CB -0.338 31.445 31.823 -0.067 0.000 0.651 260 V HN 0.326 nan 8.190 nan 0.000 0.450 261 I N -0.467 120.023 120.570 -0.134 0.000 2.142 261 I HA -0.263 3.907 4.170 0.000 0.000 0.240 261 I C 2.175 178.208 176.117 -0.141 0.000 1.078 261 I CA 1.728 62.938 61.300 -0.151 0.000 1.343 261 I CB -0.316 37.535 38.000 -0.249 0.000 1.046 261 I HN 0.263 nan 8.210 nan 0.000 0.405 262 L N 0.336 121.450 121.223 -0.181 0.000 2.465 262 L HA -0.080 4.261 4.340 0.000 0.000 0.224 262 L C 0.378 177.211 176.870 -0.061 0.000 1.145 262 L CA 0.446 55.192 54.840 -0.156 0.000 0.834 262 L CB -0.500 41.446 42.059 -0.187 0.000 0.944 262 L HN 0.246 nan 8.230 nan 0.000 0.451 263 K N 0.862 121.234 120.400 -0.046 0.000 3.372 263 K HA -0.161 4.159 4.320 0.000 0.000 0.272 263 K C -0.197 176.399 176.600 -0.007 0.000 1.037 263 K CA 0.382 56.661 56.287 -0.014 0.000 0.777 263 K CB -1.038 31.465 32.500 0.005 0.000 1.347 263 K HN 0.259 nan 8.250 nan 0.000 0.460 264 K N 0.298 120.688 120.400 -0.016 0.000 2.895 264 K HA 0.040 4.360 4.320 0.000 0.000 0.200 264 K C -0.008 176.586 176.600 -0.010 0.000 1.133 264 K CA -0.176 56.107 56.287 -0.006 0.000 1.060 264 K CB 0.900 33.400 32.500 -0.000 0.000 0.735 264 K HN 0.157 nan 8.250 nan 0.000 0.451 265 E N 1.028 121.221 120.200 -0.011 0.000 2.219 265 E HA -0.186 4.164 4.350 0.000 0.000 0.198 265 E C 1.537 178.134 176.600 -0.006 0.000 0.998 265 E CA 1.293 57.686 56.400 -0.012 0.000 0.818 265 E CB -0.131 29.568 29.700 -0.003 0.000 0.741 265 E HN 0.267 nan 8.360 nan 0.000 0.477 266 R N 0.466 120.967 120.500 0.001 0.000 2.120 266 R HA -0.008 4.332 4.340 0.000 0.000 0.234 266 R C 2.287 178.586 176.300 -0.001 0.000 1.123 266 R CA 1.154 57.256 56.100 0.003 0.000 0.975 266 R CB -0.415 29.889 30.300 0.007 0.000 0.866 266 R HN 0.057 nan 8.270 nan 0.000 0.446 267 S N 1.395 117.093 115.700 -0.003 0.000 2.389 267 S HA -0.129 4.341 4.470 0.000 0.000 0.231 267 S C 1.108 175.697 174.600 -0.019 0.000 1.052 267 S CA 1.057 59.252 58.200 -0.007 0.000 1.053 267 S CB -0.229 62.968 63.200 -0.006 0.000 0.886 267 S HN 0.177 nan 8.310 nan 0.000 0.456 268 L N 1.722 122.930 121.223 -0.025 0.000 2.421 268 L HA 0.296 4.636 4.340 0.000 0.000 0.263 268 L C 0.585 177.441 176.870 -0.024 0.000 1.122 268 L CA -0.649 54.169 54.840 -0.036 0.000 0.804 268 L CB 0.196 42.227 42.059 -0.046 0.000 1.150 268 L HN 0.031 nan 8.230 nan 0.000 0.457 269 N N 1.960 120.643 118.700 -0.029 0.000 2.605 269 N HA 0.096 4.836 4.740 0.000 0.000 0.258 269 N C 0.783 176.290 175.510 -0.005 0.000 1.156 269 N CA 0.125 53.166 53.050 -0.014 0.000 1.008 269 N CB 0.271 38.749 38.487 -0.016 0.000 1.354 269 N HN 0.563 nan 8.380 nan 0.000 0.509 270 L N 1.388 122.615 121.223 0.006 0.000 2.261 270 L HA -0.149 4.191 4.340 0.000 0.000 0.216 270 L C 2.324 179.218 176.870 0.040 0.000 1.114 270 L CA 0.912 55.764 54.840 0.021 0.000 0.777 270 L CB -0.253 41.822 42.059 0.027 0.000 0.910 270 L HN 0.515 nan 8.230 nan 0.000 0.440 271 K N 0.614 121.036 120.400 0.037 0.000 2.062 271 K HA -0.142 4.178 4.320 0.000 0.000 0.205 271 K C 2.355 178.993 176.600 0.062 0.000 1.051 271 K CA 1.658 57.975 56.287 0.050 0.000 0.941 271 K CB 0.094 32.619 32.500 0.041 0.000 0.719 271 K HN 0.367 nan 8.250 nan 0.000 0.440 272 S N 1.253 116.982 115.700 0.048 0.000 2.387 272 S HA -0.142 4.328 4.470 0.000 0.000 0.226 272 S C 2.035 176.686 174.600 0.085 0.000 1.026 272 S CA 0.718 58.952 58.200 0.056 0.000 0.972 272 S CB -0.500 62.712 63.200 0.021 0.000 0.814 272 S HN 0.266 nan 8.310 nan 0.000 0.477 273 L N 1.402 122.657 121.223 0.054 0.000 2.013 273 L HA 0.040 4.381 4.340 0.000 0.000 0.212 273 L C 2.294 179.281 176.870 0.194 0.000 1.073 273 L CA 1.595 56.489 54.840 0.090 0.000 0.753 273 L CB -1.233 40.844 42.059 0.029 0.000 0.890 273 L HN 0.410 nan 8.230 nan 0.000 0.432 274 L N -0.478 120.831 121.223 0.144 0.000 2.017 274 L HA -0.254 4.086 4.340 0.000 0.000 0.208 274 L C 2.668 179.636 176.870 0.163 0.000 1.073 274 L CA 2.237 57.170 54.840 0.155 0.000 0.745 274 L CB -0.692 41.442 42.059 0.124 0.000 0.894 274 L HN 0.576 nan 8.230 nan 0.000 0.432 275 Q N -1.791 118.098 119.800 0.149 0.000 2.124 275 Q HA -0.284 4.056 4.340 0.000 0.000 0.202 275 Q C 2.045 178.136 176.000 0.152 0.000 0.977 275 Q CA 2.307 58.188 55.803 0.130 0.000 0.850 275 Q CB -0.515 28.289 28.738 0.111 0.000 0.901 275 Q HN 0.645 nan 8.270 nan 0.000 0.429 276 W N -0.659 120.642 121.300 0.002 0.000 2.408 276 W HA -0.127 4.533 4.660 0.000 0.000 0.311 276 W C 2.005 178.526 176.519 0.004 0.000 1.190 276 W CA 1.429 58.760 57.345 -0.024 0.000 1.321 276 W CB -0.608 28.812 29.460 -0.067 0.000 1.143 276 W HN 0.049 nan 8.180 nan 0.000 0.501 277 V N 1.323 121.318 119.914 0.136 0.000 2.343 277 V HA -0.278 3.842 4.120 0.000 0.000 0.247 277 V C 2.462 178.535 176.094 -0.035 0.000 1.051 277 V CA 3.269 65.523 62.300 -0.076 0.000 1.036 277 V CB -1.146 30.782 31.823 0.175 0.000 0.654 277 V HN 0.466 nan 8.190 nan 0.000 0.451 278 T N -2.856 111.734 114.554 0.059 0.000 2.867 278 T HA -0.135 4.215 4.350 0.000 0.000 0.268 278 T C 1.825 176.507 174.700 -0.031 0.000 1.057 278 T CA 1.701 63.857 62.100 0.095 0.000 1.136 278 T CB -0.592 68.350 68.868 0.123 0.000 0.874 278 T HN 0.471 nan 8.240 nan 0.000 0.466 279 S N 1.082 116.714 115.700 -0.114 0.000 2.555 279 S HA 0.100 4.570 4.470 0.000 0.000 0.230 279 S C 1.849 176.282 174.600 -0.277 0.000 0.978 279 S CA 0.126 58.222 58.200 -0.174 0.000 0.934 279 S CB -0.181 62.922 63.200 -0.161 0.000 0.766 279 S HN 0.432 nan 8.310 nan 0.000 0.533 280 R N 1.059 121.352 120.500 -0.344 0.000 2.300 280 R HA 0.203 4.543 4.340 0.000 0.000 0.199 280 R C 0.750 176.808 176.300 -0.403 0.000 0.920 280 R CA 0.015 55.897 56.100 -0.362 0.000 1.046 280 R CB -0.233 29.805 30.300 -0.437 0.000 0.984 280 R HN 0.494 nan 8.270 nan 0.000 0.493 281 Q N 0.973 120.382 119.800 -0.652 0.000 2.314 281 Q HA 0.157 4.497 4.340 0.000 0.000 0.258 281 Q C -0.506 175.213 176.000 -0.468 0.000 0.954 281 Q CA -0.008 55.183 55.803 -1.021 0.000 0.890 281 Q CB 0.761 28.900 28.738 -0.997 0.000 1.210 281 Q HN -0.125 nan 8.270 nan 0.000 0.410 282 M N 4.295 123.658 119.600 -0.395 0.000 2.144 282 M HA 0.174 4.654 4.480 0.000 0.000 0.356 282 M C 0.960 177.194 176.300 -0.111 0.000 1.217 282 M CA 0.079 55.258 55.300 -0.203 0.000 1.087 282 M CB 1.008 33.504 32.600 -0.174 0.000 1.609 282 M HN 0.725 nan 8.290 nan 0.000 0.467 283 R N 1.007 121.478 120.500 -0.048 0.000 2.189 283 R HA -0.118 4.222 4.340 0.000 0.000 0.223 283 R C 1.116 177.431 176.300 0.026 0.000 1.092 283 R CA 1.496 57.591 56.100 -0.008 0.000 0.989 283 R CB -0.239 30.053 30.300 -0.014 0.000 0.876 283 R HN 0.552 nan 8.270 nan 0.000 0.457 284 F N 1.710 121.608 119.950 -0.087 0.000 2.298 284 F HA 0.214 4.741 4.527 0.000 0.000 0.282 284 F C 1.652 177.574 175.800 0.203 0.000 1.045 284 F CA 0.787 58.770 58.000 -0.029 0.000 1.280 284 F CB 0.206 39.188 39.000 -0.031 0.000 1.114 284 F HN -0.127 nan 8.300 nan 0.000 0.546 285 E N 0.090 120.320 120.200 0.050 0.000 2.106 285 E HA 0.106 4.456 4.350 0.000 0.000 0.192 285 E C 1.809 178.406 176.600 -0.006 0.000 0.984 285 E CA 1.356 57.745 56.400 -0.017 0.000 0.806 285 E CB -0.530 29.099 29.700 -0.118 0.000 0.750 285 E HN 0.586 nan 8.360 nan 0.000 0.458 286 G N -0.328 108.421 108.800 -0.084 0.000 2.234 286 G HA2 -0.219 3.741 3.960 0.000 0.000 0.235 286 G HA3 -0.219 3.741 3.960 0.000 0.000 0.235 286 G C 0.632 175.440 174.900 -0.152 0.000 0.997 286 G CA -0.069 45.001 45.100 -0.050 0.000 0.623 286 G HN 0.616 nan 8.290 nan 0.000 0.514 287 G N -0.677 107.873 108.800 -0.417 0.000 2.525 287 G HA2 0.610 4.570 3.960 0.000 0.000 0.287 287 G HA3 0.610 4.570 3.960 0.000 0.000 0.287 287 G C -0.584 174.130 174.900 -0.310 0.000 1.350 287 G CA -0.789 44.070 45.100 -0.401 0.000 1.039 287 G HN 0.295 nan 8.290 nan 0.000 0.513 288 F N -0.208 119.657 119.950 -0.143 0.000 2.480 288 F HA 0.374 4.901 4.527 0.000 0.000 0.329 288 F C 0.765 176.543 175.800 -0.036 0.000 1.091 288 F CA -0.697 57.240 58.000 -0.105 0.000 0.972 288 F CB 2.137 41.088 39.000 -0.081 0.000 1.150 288 F HN 0.532 nan 8.300 nan 0.000 0.467 289 Q N 1.017 120.820 119.800 0.006 0.000 2.199 289 Q HA 0.580 4.920 4.340 0.000 0.000 0.232 289 Q C 0.362 176.085 176.000 -0.462 0.000 0.969 289 Q CA -0.407 55.336 55.803 -0.100 0.000 0.925 289 Q CB 1.520 30.174 28.738 -0.141 0.000 1.198 289 Q HN 0.836 nan 8.270 nan 0.000 0.494 290 G N 0.610 108.893 108.800 -0.861 0.000 2.656 290 G HA2 0.113 4.073 3.960 0.000 0.000 0.211 290 G HA3 0.113 4.073 3.960 0.000 0.000 0.211 290 G C 0.138 174.506 174.900 -0.885 0.000 1.137 290 G CA -0.093 44.098 45.100 -1.515 0.000 0.802 290 G HN 0.675 nan 8.290 nan 0.000 0.527 291 R N -1.872 118.344 120.500 -0.473 0.000 2.764 291 R HA 0.525 4.865 4.340 0.000 0.000 0.270 291 R C -1.112 175.115 176.300 -0.121 0.000 1.014 291 R CA -0.859 55.138 56.100 -0.171 0.000 0.904 291 R CB 0.332 30.620 30.300 -0.020 0.000 1.236 291 R HN -0.032 nan 8.270 nan 0.000 0.466 292 C N 2.123 121.399 119.300 -0.040 0.000 2.642 292 C HA 0.105 4.565 4.460 0.000 0.000 0.420 292 C C 0.655 175.641 174.990 -0.007 0.000 1.349 292 C CA 0.920 59.910 59.018 -0.046 0.000 1.821 292 C CB -1.190 26.560 27.740 0.017 0.000 2.637 292 C HN 1.000 nan 8.230 nan 0.000 0.605 293 N N 2.331 121.016 118.700 -0.024 0.000 2.782 293 N HA -0.136 4.604 4.740 0.000 0.000 0.251 293 N C -0.040 175.473 175.510 0.005 0.000 1.101 293 N CA 1.395 54.444 53.050 -0.003 0.000 0.764 293 N CB -0.631 37.871 38.487 0.025 0.000 1.122 293 N HN 0.813 nan 8.380 nan 0.000 0.561 294 K N -0.369 120.025 120.400 -0.009 0.000 2.415 294 K HA 0.574 4.894 4.320 0.000 0.000 0.275 294 K C 0.453 177.060 176.600 0.012 0.000 1.019 294 K CA -0.644 55.652 56.287 0.015 0.000 1.173 294 K CB 0.638 33.158 32.500 0.033 0.000 1.602 294 K HN -0.062 nan 8.250 nan 0.000 0.717 295 L N 1.005 122.255 121.223 0.045 0.000 2.342 295 L HA 0.348 4.688 4.340 0.000 0.000 0.271 295 L C 0.002 176.920 176.870 0.079 0.000 1.008 295 L CA -1.075 53.797 54.840 0.054 0.000 0.818 295 L CB 1.929 44.032 42.059 0.074 0.000 1.296 295 L HN 0.216 nan 8.230 nan 0.000 0.427 296 V N 1.989 121.924 119.914 0.034 0.000 2.814 296 V HA 0.023 4.143 4.120 0.000 0.000 0.307 296 V C -0.578 175.604 176.094 0.147 0.000 1.089 296 V CA 0.844 63.151 62.300 0.012 0.000 1.212 296 V CB 0.951 32.672 31.823 -0.170 0.000 0.912 296 V HN 0.860 nan 8.190 nan 0.000 0.497 297 D N 3.726 124.271 120.400 0.241 0.000 2.738 297 D HA 0.306 4.946 4.640 0.000 0.000 0.218 297 D C 0.833 177.303 176.300 0.284 0.000 1.345 297 D CA 0.192 54.360 54.000 0.279 0.000 0.943 297 D CB 1.564 42.518 40.800 0.257 0.000 1.514 297 D HN 0.623 nan 8.370 nan 0.000 0.585 298 G N 2.324 111.340 108.800 0.360 0.000 2.656 298 G HA2 -0.368 3.592 3.960 0.000 0.000 0.223 298 G HA3 -0.368 3.592 3.960 0.000 0.000 0.223 298 G C 1.659 176.659 174.900 0.166 0.000 1.130 298 G CA 1.641 46.937 45.100 0.326 0.000 0.758 298 G HN 0.753 nan 8.290 nan 0.000 0.608 299 C N -1.738 117.593 119.300 0.051 0.000 2.468 299 C HA 0.266 4.726 4.460 0.000 0.000 0.277 299 C C 2.264 177.152 174.990 -0.170 0.000 1.400 299 C CA -0.178 58.724 59.018 -0.193 0.000 1.770 299 C CB -1.443 26.035 27.740 -0.438 0.000 1.905 299 C HN 0.390 nan 8.230 nan 0.000 0.519 300 Y N 2.689 123.101 120.300 0.187 0.000 2.651 300 Y HA -0.035 4.515 4.550 0.000 0.000 0.296 300 Y C 2.643 178.485 175.900 -0.097 0.000 1.150 300 Y CA 0.931 59.099 58.100 0.113 0.000 1.348 300 Y CB -1.166 37.377 38.460 0.138 0.000 0.983 300 Y HN 0.381 nan 8.280 nan 0.000 0.555 301 S N -0.457 115.278 115.700 0.059 0.000 2.399 301 S HA -0.174 4.296 4.470 0.000 0.000 0.231 301 S C 1.737 176.217 174.600 -0.200 0.000 1.022 301 S CA 1.250 59.422 58.200 -0.047 0.000 0.983 301 S CB -0.434 62.814 63.200 0.080 0.000 0.803 301 S HN 0.555 nan 8.310 nan 0.000 0.480 302 F N 0.309 120.047 119.950 -0.355 0.000 2.274 302 F HA 0.177 4.704 4.527 0.000 0.000 0.288 302 F C 1.572 177.056 175.800 -0.527 0.000 1.069 302 F CA 0.321 58.028 58.000 -0.488 0.000 1.343 302 F CB -0.423 38.226 39.000 -0.585 0.000 1.089 302 F HN 0.158 nan 8.300 nan 0.000 0.517 303 W N 0.841 121.983 121.300 -0.264 0.000 2.363 303 W HA -0.155 4.506 4.660 0.000 0.000 0.296 303 W C 2.348 178.692 176.519 -0.293 0.000 1.212 303 W CA 0.827 57.972 57.345 -0.334 0.000 1.260 303 W CB -0.444 29.012 29.460 -0.007 0.000 1.131 303 W HN 0.032 nan 8.180 nan 0.000 0.530 304 Q N 0.018 119.716 119.800 -0.171 0.000 2.036 304 Q HA 0.035 4.375 4.340 0.000 0.000 0.195 304 Q C 2.451 177.996 176.000 -0.759 0.000 0.971 304 Q CA 1.542 57.089 55.803 -0.427 0.000 0.826 304 Q CB -1.322 27.039 28.738 -0.629 0.000 0.896 304 Q HN 0.286 nan 8.270 nan 0.000 0.449 305 A N 1.062 123.164 122.820 -1.197 0.000 1.969 305 A HA -0.034 4.286 4.320 0.000 0.000 0.218 305 A C 2.230 179.420 177.584 -0.657 0.000 1.169 305 A CA 1.559 52.886 52.037 -1.183 0.000 0.635 305 A CB -0.976 17.169 19.000 -1.425 0.000 0.810 305 A HN 0.439 nan 8.150 nan 0.000 0.445 306 G N -0.378 108.015 108.800 -0.678 0.000 2.535 306 G HA2 -0.081 3.879 3.960 0.000 0.000 0.218 306 G HA3 -0.081 3.879 3.960 0.000 0.000 0.218 306 G C 1.347 176.096 174.900 -0.252 0.000 1.122 306 G CA 0.804 45.550 45.100 -0.591 0.000 0.769 306 G HN 0.464 nan 8.290 nan 0.000 0.549 307 L N -0.094 121.031 121.223 -0.162 0.000 2.275 307 L HA 0.020 4.360 4.340 0.000 0.000 0.215 307 L C 2.531 179.371 176.870 -0.049 0.000 1.119 307 L CA 0.011 54.826 54.840 -0.042 0.000 0.790 307 L CB -0.171 41.905 42.059 0.028 0.000 0.919 307 L HN 0.124 nan 8.230 nan 0.000 0.443 308 L N -0.022 121.152 121.223 -0.083 0.000 2.044 308 L HA -0.063 4.277 4.340 0.000 0.000 0.205 308 L C 0.045 176.864 176.870 -0.085 0.000 1.075 308 L CA 1.933 56.802 54.840 0.048 0.000 0.747 308 L CB -2.494 39.738 42.059 0.288 0.000 0.903 308 L HN 0.138 nan 8.230 nan 0.000 0.435 309 P HA -0.145 nan 4.420 nan 0.000 0.218 309 P C 2.151 179.367 177.300 -0.140 0.000 1.148 309 P CA 1.231 63.904 63.100 -0.711 0.000 0.822 309 P CB 0.113 31.268 31.700 -0.909 0.000 0.784 310 L N -1.978 119.194 121.223 -0.084 0.000 2.131 310 L HA -0.068 4.272 4.340 0.000 0.000 0.206 310 L C 2.377 179.278 176.870 0.051 0.000 1.087 310 L CA 0.945 55.776 54.840 -0.014 0.000 0.767 310 L CB -0.797 41.226 42.059 -0.060 0.000 0.917 310 L HN -0.062 nan 8.230 nan 0.000 0.441 311 L N -0.971 120.297 121.223 0.075 0.000 2.093 311 L HA -0.243 4.097 4.340 0.000 0.000 0.208 311 L C 2.578 179.555 176.870 0.178 0.000 1.085 311 L CA 1.210 56.119 54.840 0.115 0.000 0.755 311 L CB -0.601 41.534 42.059 0.126 0.000 0.904 311 L HN 0.304 nan 8.230 nan 0.000 0.435 312 H N 0.633 119.806 119.070 0.171 0.000 2.353 312 H HA -0.200 4.356 4.556 0.000 0.000 0.300 312 H C 2.323 177.771 175.328 0.200 0.000 1.090 312 H CA 1.882 58.083 56.048 0.254 0.000 1.327 312 H CB 0.180 30.219 29.762 0.462 0.000 1.383 312 H HN 0.201 nan 8.280 nan 0.000 0.508 313 R N -0.132 120.548 120.500 0.299 0.000 2.316 313 R HA 0.140 4.480 4.340 0.000 0.000 0.202 313 R C 1.640 178.046 176.300 0.177 0.000 1.029 313 R CA 1.032 57.262 56.100 0.215 0.000 1.018 313 R CB 0.103 30.491 30.300 0.147 0.000 0.888 313 R HN 0.286 nan 8.270 nan 0.000 0.471 314 A N 0.769 123.673 122.820 0.140 0.000 1.963 314 A HA 0.248 4.568 4.320 0.000 0.000 0.207 314 A C 1.992 179.626 177.584 0.084 0.000 1.243 314 A CA 0.040 52.134 52.037 0.094 0.000 0.728 314 A CB -0.089 18.949 19.000 0.064 0.000 0.895 314 A HN 0.251 nan 8.150 nan 0.000 0.467 315 L N -0.850 120.422 121.223 0.083 0.000 2.131 315 L HA -0.170 4.170 4.340 0.000 0.000 0.210 315 L C 2.537 179.447 176.870 0.067 0.000 1.092 315 L CA 1.737 56.609 54.840 0.055 0.000 0.759 315 L CB -0.627 41.450 42.059 0.030 0.000 0.903 315 L HN 0.609 nan 8.230 nan 0.000 0.435 316 H N 0.484 119.556 119.070 0.003 0.000 2.333 316 H HA -0.005 4.551 4.556 0.000 0.000 0.302 316 H C 2.041 177.388 175.328 0.032 0.000 1.075 316 H CA 1.255 57.314 56.048 0.020 0.000 1.348 316 H CB 0.143 29.943 29.762 0.063 0.000 1.393 316 H HN 0.231 nan 8.280 nan 0.000 0.509 317 A N -0.060 122.816 122.820 0.093 0.000 2.258 317 A HA -0.016 4.305 4.320 0.000 0.000 0.206 317 A C 1.077 178.654 177.584 -0.011 0.000 1.222 317 A CA 0.728 52.780 52.037 0.024 0.000 0.822 317 A CB -0.240 18.803 19.000 0.071 0.000 0.804 317 A HN 0.669 nan 8.150 nan 0.000 0.483 318 Q N -1.873 117.912 119.800 -0.026 0.000 2.110 318 Q HA 0.330 4.670 4.340 0.000 0.000 0.232 318 Q C 0.934 176.906 176.000 -0.046 0.000 0.810 318 Q CA 0.214 56.003 55.803 -0.025 0.000 1.083 318 Q CB 0.761 29.498 28.738 -0.002 0.000 1.193 318 Q HN 0.759 nan 8.270 nan 0.000 0.471 319 G N 1.211 109.951 108.800 -0.099 0.000 2.184 319 G HA2 -0.294 3.666 3.960 0.000 0.000 0.264 319 G HA3 -0.294 3.666 3.960 0.000 0.000 0.264 319 G C 0.038 174.896 174.900 -0.072 0.000 0.975 319 G CA 0.304 45.340 45.100 -0.108 0.000 0.642 319 G HN 0.447 nan 8.290 nan 0.000 0.536 320 D N 1.285 121.660 120.400 -0.041 0.000 2.662 320 D HA 0.147 4.787 4.640 0.000 0.000 0.237 320 D C -0.492 175.807 176.300 -0.002 0.000 1.154 320 D CA -0.050 53.943 54.000 -0.011 0.000 0.861 320 D CB 1.043 41.845 40.800 0.002 0.000 1.146 320 D HN 0.303 nan 8.370 nan 0.000 0.518 321 P HA 0.201 nan 4.420 nan 0.000 0.267 321 P C 0.254 177.565 177.300 0.018 0.000 1.289 321 P CA -0.045 63.062 63.100 0.012 0.000 0.866 321 P CB 0.615 32.317 31.700 0.002 0.000 1.309 322 A N -0.207 122.622 122.820 0.015 0.000 2.275 322 A HA 0.218 4.538 4.320 0.000 0.000 0.212 322 A C 0.964 178.558 177.584 0.017 0.000 1.201 322 A CA -0.134 51.911 52.037 0.014 0.000 0.843 322 A CB -0.696 18.313 19.000 0.015 0.000 0.873 322 A HN 0.114 nan 8.150 nan 0.000 0.492 323 L N 0.758 121.989 121.223 0.014 0.000 2.483 323 L HA 0.109 4.449 4.340 0.000 0.000 0.276 323 L C 1.167 178.072 176.870 0.058 0.000 1.213 323 L CA -0.231 54.608 54.840 -0.002 0.000 0.843 323 L CB 0.719 42.703 42.059 -0.125 0.000 1.107 323 L HN 0.288 nan 8.230 nan 0.000 0.487 324 S N 2.546 118.308 115.700 0.103 0.000 2.600 324 S HA 0.352 4.822 4.470 0.000 0.000 0.265 324 S C 0.512 175.120 174.600 0.013 0.000 1.325 324 S CA -0.388 57.814 58.200 0.004 0.000 1.002 324 S CB 0.582 63.734 63.200 -0.080 0.000 0.921 324 S HN 0.625 nan 8.310 nan 0.000 0.554 325 M N 1.994 121.442 119.600 -0.253 0.000 2.511 325 M HA 0.172 4.652 4.480 0.000 0.000 0.387 325 M C 0.749 176.597 176.300 -0.754 0.000 1.112 325 M CA -0.360 54.759 55.300 -0.301 0.000 0.921 325 M CB 0.546 33.101 32.600 -0.074 0.000 1.501 325 M HN 0.605 nan 8.290 nan 0.000 0.538 326 S N -1.323 113.718 115.700 -1.097 0.000 2.641 326 S HA 0.252 4.722 4.470 0.000 0.000 0.239 326 S C 0.454 174.110 174.600 -1.573 0.000 1.081 326 S CA 0.055 57.493 58.200 -1.270 0.000 0.904 326 S CB -0.004 62.394 63.200 -1.338 0.000 0.803 326 S HN 0.533 nan 8.310 nan 0.000 0.510 327 H N -1.019 117.305 119.070 -1.243 0.000 2.768 327 H HA 0.466 5.022 4.556 0.000 0.000 0.371 327 H C -1.211 173.848 175.328 -0.448 0.000 1.151 327 H CA -1.257 54.327 56.048 -0.772 0.000 1.165 327 H CB 1.153 30.675 29.762 -0.399 0.000 1.722 327 H HN 0.276 nan 8.280 nan 0.000 0.543 328 W N 1.746 123.102 121.300 0.093 0.000 2.049 328 W HA 0.165 4.825 4.660 0.000 0.000 0.356 328 W C 0.780 177.316 176.519 0.028 0.000 1.323 328 W CA -0.695 56.722 57.345 0.120 0.000 1.336 328 W CB 0.470 29.933 29.460 0.005 0.000 1.176 328 W HN 0.377 nan 8.180 nan 0.000 0.623 329 M N 2.747 122.633 119.600 0.477 0.000 3.092 329 M HA 0.172 4.652 4.480 0.000 0.000 0.228 329 M C -1.166 175.365 176.300 0.385 0.000 1.301 329 M CA 0.126 55.629 55.300 0.338 0.000 1.216 329 M CB -0.744 32.051 32.600 0.325 0.000 1.356 329 M HN 0.324 nan 8.290 nan 0.000 0.463 330 F N -3.787 116.313 119.950 0.250 0.000 2.662 330 F HA 0.448 4.976 4.527 0.000 0.000 0.312 330 F C -0.558 175.336 175.800 0.157 0.000 1.113 330 F CA -1.350 56.788 58.000 0.230 0.000 0.951 330 F CB 0.726 39.957 39.000 0.386 0.000 1.344 330 F HN -0.113 nan 8.300 nan 0.000 0.462 331 H N 2.753 121.962 119.070 0.232 0.000 3.157 331 H HA 0.184 4.740 4.556 0.000 0.000 0.260 331 H C 0.501 175.909 175.328 0.134 0.000 1.232 331 H CA 0.719 56.778 56.048 0.018 0.000 1.488 331 H CB 1.087 30.823 29.762 -0.043 0.000 1.548 331 H HN 0.860 nan 8.280 nan 0.000 0.487 332 Q N 2.767 122.533 119.800 -0.057 0.000 2.119 332 Q HA -0.175 4.165 4.340 0.000 0.000 0.201 332 Q C 2.093 178.186 176.000 0.155 0.000 0.972 332 Q CA 1.065 56.886 55.803 0.031 0.000 0.847 332 Q CB 0.199 28.800 28.738 -0.229 0.000 0.903 332 Q HN 0.705 nan 8.270 nan 0.000 0.433 333 Q N 0.381 120.239 119.800 0.098 0.000 2.061 333 Q HA -0.204 4.137 4.340 0.000 0.000 0.204 333 Q C 1.922 178.017 176.000 0.157 0.000 0.984 333 Q CA 1.590 57.459 55.803 0.110 0.000 0.846 333 Q CB -0.110 28.675 28.738 0.078 0.000 0.902 333 Q HN 0.393 nan 8.270 nan 0.000 0.421 334 A N 0.315 123.263 122.820 0.213 0.000 1.970 334 A HA -0.089 4.231 4.320 0.000 0.000 0.216 334 A C 1.902 179.578 177.584 0.154 0.000 1.170 334 A CA 0.780 52.849 52.037 0.053 0.000 0.645 334 A CB -0.466 18.412 19.000 -0.204 0.000 0.816 334 A HN 0.459 nan 8.150 nan 0.000 0.447 335 L N 0.081 121.459 121.223 0.258 0.000 2.017 335 L HA -0.193 4.147 4.340 0.000 0.000 0.208 335 L C 2.415 179.441 176.870 0.260 0.000 1.073 335 L CA 2.232 57.259 54.840 0.311 0.000 0.745 335 L CB -0.771 41.556 42.059 0.448 0.000 0.894 335 L HN 0.489 nan 8.230 nan 0.000 0.432 336 Q N -0.566 119.356 119.800 0.202 0.000 2.096 336 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 336 Q C 2.074 178.118 176.000 0.073 0.000 0.982 336 Q CA 2.018 57.893 55.803 0.121 0.000 0.850 336 Q CB -0.211 28.575 28.738 0.079 0.000 0.901 336 Q HN 0.661 nan 8.270 nan 0.000 0.422 337 E N -0.187 120.048 120.200 0.058 0.000 2.110 337 E HA -0.207 4.143 4.350 0.000 0.000 0.193 337 E C 1.702 178.324 176.600 0.037 0.000 0.988 337 E CA 0.923 57.313 56.400 -0.017 0.000 0.804 337 E CB -0.141 29.503 29.700 -0.094 0.000 0.745 337 E HN 0.352 nan 8.360 nan 0.000 0.458 338 Y N 1.379 121.697 120.300 0.030 0.000 2.163 338 Y HA -0.188 4.362 4.550 0.000 0.000 0.288 338 Y C 1.954 177.883 175.900 0.048 0.000 1.136 338 Y CA 1.425 59.566 58.100 0.070 0.000 1.147 338 Y CB -0.176 38.334 38.460 0.084 0.000 0.987 338 Y HN -0.084 nan 8.280 nan 0.000 0.509 339 I N -0.271 120.281 120.570 -0.030 0.000 2.226 339 I HA -0.329 3.841 4.170 0.000 0.000 0.245 339 I C 2.220 178.260 176.117 -0.128 0.000 1.100 339 I CA 1.457 62.691 61.300 -0.109 0.000 1.374 339 I CB -0.410 37.606 38.000 0.027 0.000 1.057 339 I HN 0.250 nan 8.210 nan 0.000 0.413 340 L N -0.536 120.645 121.223 -0.070 0.000 2.131 340 L HA -0.115 4.225 4.340 0.000 0.000 0.206 340 L C 2.476 179.306 176.870 -0.067 0.000 1.087 340 L CA 1.159 55.974 54.840 -0.042 0.000 0.767 340 L CB -0.326 41.722 42.059 -0.019 0.000 0.917 340 L HN 0.236 nan 8.230 nan 0.000 0.441 341 M N -1.983 117.525 119.600 -0.154 0.000 2.435 341 M HA -0.053 4.427 4.480 0.000 0.000 0.265 341 M C 1.688 177.911 176.300 -0.128 0.000 1.104 341 M CA 0.806 55.979 55.300 -0.211 0.000 1.140 341 M CB 0.043 32.409 32.600 -0.390 0.000 1.372 341 M HN 0.319 nan 8.290 nan 0.000 0.456 342 C N -1.691 117.455 119.300 -0.256 0.000 3.403 342 C HA 0.175 4.635 4.460 0.000 0.000 0.317 342 C C 1.908 176.704 174.990 -0.324 0.000 1.346 342 C CA -0.420 58.407 59.018 -0.320 0.000 1.743 342 C CB -0.204 27.218 27.740 -0.530 0.000 2.308 342 C HN 0.576 nan 8.230 nan 0.000 0.675 343 C N 0.845 119.954 119.300 -0.318 0.000 3.104 343 C HA 0.204 4.664 4.460 0.000 0.000 0.284 343 C C 0.625 175.532 174.990 -0.138 0.000 1.326 343 C CA -0.080 58.796 59.018 -0.237 0.000 1.725 343 C CB -1.368 26.222 27.740 -0.250 0.000 2.156 343 C HN 0.590 nan 8.230 nan 0.000 0.638 344 Q N 0.258 120.007 119.800 -0.084 0.000 2.271 344 Q HA 0.332 4.672 4.340 0.000 0.000 0.258 344 Q C -0.617 175.376 176.000 -0.011 0.000 0.936 344 Q CA -0.006 55.794 55.803 -0.005 0.000 0.909 344 Q CB 2.062 30.849 28.738 0.081 0.000 1.253 344 Q HN 0.430 nan 8.270 nan 0.000 0.440 345 C N 4.287 123.579 119.300 -0.013 0.000 2.369 345 C HA 0.363 4.823 4.460 0.000 0.000 0.358 345 C C -1.335 173.645 174.990 -0.016 0.000 1.274 345 C CA -1.906 57.080 59.018 -0.053 0.000 1.935 345 C CB 0.111 27.769 27.740 -0.137 0.000 2.431 345 C HN 0.707 nan 8.230 nan 0.000 0.545 346 P HA -0.008 nan 4.420 nan 0.000 0.222 346 P C 1.172 178.449 177.300 -0.038 0.000 1.147 346 P CA 1.480 64.562 63.100 -0.029 0.000 0.790 346 P CB 0.030 31.712 31.700 -0.032 0.000 0.780 347 A N -0.728 122.059 122.820 -0.055 0.000 2.119 347 A HA 0.406 4.726 4.320 0.000 0.000 0.217 347 A C 1.142 178.690 177.584 -0.060 0.000 1.153 347 A CA 1.064 53.068 52.037 -0.056 0.000 0.692 347 A CB -1.062 17.894 19.000 -0.074 0.000 0.799 347 A HN 0.342 nan 8.150 nan 0.000 0.458 348 G N -3.168 105.594 108.800 -0.063 0.000 2.640 348 G HA2 0.530 4.490 3.960 0.000 0.000 0.686 348 G HA3 0.530 4.490 3.960 0.000 0.000 0.686 348 G C 0.451 175.203 174.900 -0.247 0.000 1.229 348 G CA -0.175 44.936 45.100 0.018 0.000 0.796 348 G HN 2.395 nan 8.290 nan 0.000 0.654 349 G N -1.113 107.697 108.800 0.017 0.000 2.795 349 G HA2 0.328 4.288 3.960 0.000 0.000 0.664 349 G HA3 0.328 4.288 3.960 0.000 0.000 0.664 349 G C -0.568 174.166 174.900 -0.278 0.000 1.381 349 G CA 0.206 45.123 45.100 -0.305 0.000 0.853 349 G HN 1.735 nan 8.290 nan 0.000 0.545 350 L N -0.841 120.247 121.223 -0.225 0.000 2.327 350 L HA 0.899 5.239 4.340 0.000 0.000 0.258 350 L C 0.187 176.991 176.870 -0.110 0.000 1.024 350 L CA -0.948 53.789 54.840 -0.172 0.000 0.825 350 L CB 2.108 44.056 42.059 -0.185 0.000 1.386 350 L HN 0.714 nan 8.230 nan 0.000 0.417 351 L N -0.726 120.425 121.223 -0.120 0.000 2.371 351 L HA 0.520 4.861 4.340 0.000 0.000 0.262 351 L C 0.537 177.284 176.870 -0.204 0.000 1.006 351 L CA -0.736 53.987 54.840 -0.193 0.000 0.818 351 L CB 1.480 43.434 42.059 -0.175 0.000 1.354 351 L HN 0.580 nan 8.230 nan 0.000 0.415 352 D N 1.598 121.682 120.400 -0.527 0.000 2.230 352 D HA -0.215 4.425 4.640 0.000 0.000 0.189 352 D C 0.134 176.442 176.300 0.014 0.000 1.006 352 D CA 2.304 56.153 54.000 -0.251 0.000 0.853 352 D CB 0.334 40.910 40.800 -0.372 0.000 0.959 352 D HN 0.704 nan 8.370 nan 0.000 0.449 353 K N -2.605 117.775 120.400 -0.034 0.000 2.615 353 K HA 0.515 4.835 4.320 0.000 0.000 0.291 353 K C -3.059 173.519 176.600 -0.037 0.000 1.017 353 K CA -1.564 54.746 56.287 0.039 0.000 0.882 353 K CB 1.244 33.827 32.500 0.138 0.000 1.522 353 K HN -0.259 nan 8.250 nan 0.000 0.412 354 P HA 0.048 nan 4.420 nan 0.000 0.267 354 P C 0.427 177.699 177.300 -0.047 0.000 1.200 354 P CA 1.462 64.527 63.100 -0.058 0.000 0.772 354 P CB 0.462 32.128 31.700 -0.058 0.000 0.855 355 G N 0.387 109.154 108.800 -0.055 0.000 2.153 355 G HA2 -0.225 3.735 3.960 0.000 0.000 0.252 355 G HA3 -0.225 3.735 3.960 0.000 0.000 0.252 355 G C 0.281 175.148 174.900 -0.055 0.000 0.994 355 G CA 0.062 45.132 45.100 -0.049 0.000 0.698 355 G HN 0.472 nan 8.290 nan 0.000 0.521 356 K N 0.136 120.493 120.400 -0.073 0.000 2.240 356 K HA 0.716 5.036 4.320 0.000 0.000 0.237 356 K C 0.632 177.172 176.600 -0.100 0.000 1.027 356 K CA 0.126 56.359 56.287 -0.089 0.000 0.937 356 K CB 1.335 33.760 32.500 -0.125 0.000 1.171 356 K HN 0.572 nan 8.250 nan 0.000 0.479 357 S N 0.004 115.641 115.700 -0.106 0.000 2.537 357 S HA 0.420 4.890 4.470 0.000 0.000 0.301 357 S C 0.097 174.621 174.600 -0.127 0.000 1.092 357 S CA -0.949 57.188 58.200 -0.105 0.000 1.048 357 S CB 1.479 64.630 63.200 -0.082 0.000 1.053 357 S HN 0.574 nan 8.310 nan 0.000 0.501 358 R N 1.131 121.545 120.500 -0.143 0.000 2.801 358 R HA 0.496 4.836 4.340 0.000 0.000 0.273 358 R C -0.952 175.295 176.300 -0.088 0.000 1.080 358 R CA -0.074 55.931 56.100 -0.160 0.000 1.197 358 R CB -0.440 29.685 30.300 -0.291 0.000 1.109 358 R HN 0.870 nan 8.270 nan 0.000 0.535 359 D N -1.337 119.040 120.400 -0.037 0.000 2.710 359 D HA 0.128 4.769 4.640 0.000 0.000 0.276 359 D C -0.313 175.997 176.300 0.017 0.000 1.267 359 D CA -0.791 53.212 54.000 0.004 0.000 0.772 359 D CB 0.026 40.900 40.800 0.123 0.000 1.299 359 D HN 0.372 nan 8.370 nan 0.000 0.421 360 F N -1.067 119.057 119.950 0.291 0.000 2.259 360 F HA -0.001 4.527 4.527 0.000 0.000 0.298 360 F C 1.962 177.692 175.800 -0.116 0.000 1.088 360 F CA 0.394 58.495 58.000 0.168 0.000 1.358 360 F CB -0.217 38.933 39.000 0.250 0.000 1.040 360 F HN 0.464 nan 8.300 nan 0.000 0.505 361 Y N 0.448 120.487 120.300 -0.435 0.000 2.163 361 Y HA -0.268 4.282 4.550 0.000 0.000 0.288 361 Y C 2.378 178.004 175.900 -0.458 0.000 1.136 361 Y CA 1.982 59.440 58.100 -1.071 0.000 1.147 361 Y CB -0.743 36.996 38.460 -1.201 0.000 0.987 361 Y HN 0.018 nan 8.280 nan 0.000 0.509 362 H N -0.932 118.095 119.070 -0.071 0.000 2.457 362 H HA -0.070 4.486 4.556 0.000 0.000 0.294 362 H C 2.131 177.357 175.328 -0.171 0.000 1.064 362 H CA 1.799 57.776 56.048 -0.117 0.000 1.330 362 H CB -0.226 29.532 29.762 -0.007 0.000 1.395 362 H HN 0.325 nan 8.280 nan 0.000 0.541 363 T N -0.588 113.948 114.554 -0.029 0.000 2.737 363 T HA -0.221 4.129 4.350 0.000 0.000 0.265 363 T C 2.364 176.962 174.700 -0.171 0.000 1.038 363 T CA 1.232 63.296 62.100 -0.060 0.000 1.144 363 T CB -0.725 68.207 68.868 0.106 0.000 0.866 363 T HN 0.560 nan 8.240 nan 0.000 0.434 364 C N 0.832 119.984 119.300 -0.247 0.000 2.386 364 C HA -0.181 4.279 4.460 0.000 0.000 0.279 364 C C 2.378 176.993 174.990 -0.625 0.000 1.208 364 C CA 0.855 59.602 59.018 -0.452 0.000 1.747 364 C CB -1.471 25.921 27.740 -0.580 0.000 2.046 364 C HN 0.650 nan 8.230 nan 0.000 0.453 365 Y N -0.020 119.957 120.300 -0.538 0.000 2.337 365 Y HA -0.035 4.515 4.550 0.000 0.000 0.293 365 Y C 2.863 178.559 175.900 -0.341 0.000 1.123 365 Y CA 1.440 59.188 58.100 -0.587 0.000 1.201 365 Y CB -0.711 37.220 38.460 -0.880 0.000 1.011 365 Y HN 0.423 nan 8.280 nan 0.000 0.545 366 C N -0.071 119.155 119.300 -0.123 0.000 2.425 366 C HA -0.168 4.292 4.460 0.000 0.000 0.277 366 C C 2.692 177.637 174.990 -0.075 0.000 1.280 366 C CA 0.980 59.966 59.018 -0.054 0.000 1.744 366 C CB -1.249 26.462 27.740 -0.049 0.000 1.989 366 C HN 0.529 nan 8.230 nan 0.000 0.491 367 L N 0.219 121.356 121.223 -0.144 0.000 2.109 367 L HA -0.099 4.241 4.340 0.000 0.000 0.207 367 L C 2.643 179.452 176.870 -0.102 0.000 1.086 367 L CA 1.230 55.993 54.840 -0.128 0.000 0.760 367 L CB -0.594 41.359 42.059 -0.177 0.000 0.910 367 L HN 0.287 nan 8.230 nan 0.000 0.437 368 S N 0.115 115.718 115.700 -0.161 0.000 2.368 368 S HA -0.142 4.328 4.470 0.000 0.000 0.225 368 S C 1.994 176.664 174.600 0.117 0.000 1.030 368 S CA 1.335 59.492 58.200 -0.073 0.000 0.999 368 S CB -0.569 62.398 63.200 -0.389 0.000 0.844 368 S HN 0.611 nan 8.310 nan 0.000 0.459 369 G N 1.370 110.229 108.800 0.098 0.000 2.408 369 G HA2 -0.116 3.844 3.960 0.000 0.000 0.217 369 G HA3 -0.116 3.844 3.960 0.000 0.000 0.217 369 G C 1.376 176.342 174.900 0.110 0.000 1.150 369 G CA 0.640 45.802 45.100 0.104 0.000 0.776 369 G HN 0.409 nan 8.290 nan 0.000 0.542 370 L N 1.087 122.357 121.223 0.078 0.000 2.046 370 L HA -0.006 4.334 4.340 0.000 0.000 0.208 370 L C 2.880 179.797 176.870 0.079 0.000 1.077 370 L CA 2.399 57.286 54.840 0.079 0.000 0.747 370 L CB -0.764 41.317 42.059 0.037 0.000 0.896 370 L HN 0.220 nan 8.230 nan 0.000 0.432 371 S N -0.779 114.972 115.700 0.086 0.000 2.370 371 S HA -0.199 4.271 4.470 0.000 0.000 0.226 371 S C 2.061 176.784 174.600 0.204 0.000 1.033 371 S CA 1.823 60.105 58.200 0.136 0.000 1.011 371 S CB -0.451 62.858 63.200 0.182 0.000 0.852 371 S HN 0.497 nan 8.310 nan 0.000 0.457 372 I N 1.128 121.834 120.570 0.227 0.000 2.353 372 I HA -0.083 4.087 4.170 0.000 0.000 0.248 372 I C 2.481 178.842 176.117 0.406 0.000 1.119 372 I CA 1.050 62.516 61.300 0.278 0.000 1.417 372 I CB -0.328 37.756 38.000 0.139 0.000 1.078 372 I HN 0.374 nan 8.210 nan 0.000 0.421 373 A N -0.594 122.451 122.820 0.375 0.000 2.209 373 A HA -0.151 4.169 4.320 0.000 0.000 0.212 373 A C 2.105 179.794 177.584 0.174 0.000 1.158 373 A CA 1.046 53.335 52.037 0.421 0.000 0.742 373 A CB -0.313 18.956 19.000 0.448 0.000 0.790 373 A HN 0.484 nan 8.150 nan 0.000 0.472 374 Q N -1.141 118.680 119.800 0.035 0.000 2.349 374 Q HA 0.055 4.395 4.340 0.000 0.000 0.209 374 Q C -0.342 175.500 176.000 -0.263 0.000 0.920 374 Q CA 0.433 56.083 55.803 -0.255 0.000 0.901 374 Q CB 0.365 28.748 28.738 -0.591 0.000 1.021 374 Q HN 0.692 nan 8.270 nan 0.000 0.519 375 H N -0.661 118.542 119.070 0.222 0.000 2.762 375 H HA 0.193 4.749 4.556 0.000 0.000 0.310 375 H C -1.572 173.930 175.328 0.290 0.000 1.004 375 H CA -0.640 55.525 56.048 0.195 0.000 1.267 375 H CB 0.226 30.092 29.762 0.174 0.000 1.437 375 H HN 0.056 nan 8.280 nan 0.000 0.498 376 F N 2.042 121.980 119.950 -0.020 0.000 2.394 376 F HA 0.577 5.104 4.527 0.000 0.000 0.340 376 F C 0.255 175.914 175.800 -0.234 0.000 1.105 376 F CA -0.102 57.622 58.000 -0.459 0.000 1.124 376 F CB 1.456 40.005 39.000 -0.752 0.000 1.145 376 F HN 0.556 nan 8.300 nan 0.000 0.505 377 G N 2.534 110.748 108.800 -0.977 0.000 2.753 377 G HA2 0.494 4.454 3.960 0.000 0.000 0.295 377 G HA3 0.494 4.454 3.960 0.000 0.000 0.295 377 G C -1.930 172.483 174.900 -0.810 0.000 1.437 377 G CA -0.701 44.074 45.100 -0.542 0.000 1.094 377 G HN 0.746 nan 8.290 nan 0.000 0.540 378 S N 0.681 116.104 115.700 -0.461 0.000 2.590 378 S HA 0.602 5.072 4.470 0.000 0.000 0.286 378 S C 0.903 175.423 174.600 -0.133 0.000 1.147 378 S CA 0.911 58.922 58.200 -0.314 0.000 0.963 378 S CB 0.509 63.540 63.200 -0.282 0.000 1.124 378 S HN 2.586 nan 8.310 nan 0.000 0.458 379 G N 4.072 112.806 108.800 -0.110 0.000 2.685 379 G HA2 -0.269 3.691 3.960 0.000 0.000 0.329 379 G HA3 -0.269 3.691 3.960 0.000 0.000 0.329 379 G C 1.039 175.934 174.900 -0.007 0.000 1.271 379 G CA 0.651 45.740 45.100 -0.019 0.000 1.003 379 G HN 1.903 nan 8.290 nan 0.000 0.549 380 A N -0.737 122.092 122.820 0.016 0.000 2.308 380 A HA 0.602 4.922 4.320 0.000 0.000 0.217 380 A C 1.176 178.773 177.584 0.021 0.000 1.216 380 A CA 0.844 52.891 52.037 0.016 0.000 0.864 380 A CB -0.098 18.916 19.000 0.023 0.000 0.902 380 A HN 0.457 nan 8.150 nan 0.000 0.499 381 M N 0.138 119.757 119.600 0.032 0.000 2.233 381 M HA 0.474 4.955 4.480 0.000 0.000 0.350 381 M C -1.003 175.342 176.300 0.075 0.000 1.176 381 M CA -0.513 54.830 55.300 0.072 0.000 1.150 381 M CB 0.563 33.255 32.600 0.153 0.000 1.530 381 M HN 0.030 nan 8.290 nan 0.000 0.459 382 L N 2.792 124.078 121.223 0.104 0.000 2.436 382 L HA 0.461 4.802 4.340 0.000 0.000 0.268 382 L C -1.035 175.951 176.870 0.193 0.000 0.974 382 L CA -0.277 54.634 54.840 0.119 0.000 0.826 382 L CB 1.780 43.873 42.059 0.057 0.000 1.291 382 L HN 0.787 nan 8.230 nan 0.000 0.406 383 H N 1.146 120.274 119.070 0.096 0.000 3.179 383 H HA 0.551 5.107 4.556 0.000 0.000 0.331 383 H C -1.619 173.745 175.328 0.059 0.000 1.013 383 H CA -0.446 55.611 56.048 0.016 0.000 1.430 383 H CB 1.125 30.807 29.762 -0.134 0.000 1.895 383 H HN 0.517 nan 8.280 nan 0.000 0.468 384 D N 3.061 123.239 120.400 -0.370 0.000 2.277 384 D HA 0.510 5.151 4.640 0.000 0.000 0.250 384 D C -0.518 175.523 176.300 -0.432 0.000 1.032 384 D CA -0.401 53.455 54.000 -0.239 0.000 0.947 384 D CB 2.326 43.111 40.800 -0.024 0.000 1.159 384 D HN 0.249 nan 8.370 nan 0.000 0.460 385 V N 1.517 121.279 119.914 -0.253 0.000 2.577 385 V HA 0.246 4.366 4.120 0.000 0.000 0.294 385 V C -0.805 175.211 176.094 -0.131 0.000 1.052 385 V CA -0.689 61.495 62.300 -0.193 0.000 0.891 385 V CB 2.061 33.781 31.823 -0.171 0.000 1.017 385 V HN 0.287 nan 8.190 nan 0.000 0.436 386 V N 5.644 125.502 119.914 -0.093 0.000 2.357 386 V HA 0.448 4.568 4.120 0.000 0.000 0.281 386 V C 0.221 176.293 176.094 -0.038 0.000 1.015 386 V CA -0.551 61.710 62.300 -0.066 0.000 0.827 386 V CB 1.559 33.351 31.823 -0.052 0.000 1.018 386 V HN 0.737 nan 8.190 nan 0.000 0.432 387 M N 2.630 122.214 119.600 -0.028 0.000 2.226 387 M HA 0.446 4.926 4.480 0.000 0.000 0.324 387 M C 1.251 177.547 176.300 -0.006 0.000 1.112 387 M CA 1.234 56.525 55.300 -0.015 0.000 1.176 387 M CB 0.317 32.911 32.600 -0.011 0.000 1.430 387 M HN 0.934 nan 8.290 nan 0.000 0.462 388 G N 0.812 109.611 108.800 -0.000 0.000 2.569 388 G HA2 -0.176 3.784 3.960 0.000 0.000 0.259 388 G HA3 -0.176 3.784 3.960 0.000 0.000 0.259 388 G C -0.176 174.729 174.900 0.009 0.000 1.263 388 G CA -0.082 45.026 45.100 0.012 0.000 0.928 388 G HN 1.180 nan 8.290 nan 0.000 0.572 389 V N -1.537 118.386 119.914 0.014 0.000 2.963 389 V HA 0.495 4.615 4.120 0.000 0.000 0.306 389 V C -0.597 175.500 176.094 0.005 0.000 1.077 389 V CA 0.013 62.318 62.300 0.009 0.000 1.124 389 V CB 1.093 32.922 31.823 0.009 0.000 0.987 389 V HN 0.599 nan 8.190 nan 0.000 0.487 390 P HA 0.055 nan 4.420 nan 0.000 0.229 390 P C 1.012 178.314 177.300 0.005 0.000 1.160 390 P CA 0.740 63.842 63.100 0.002 0.000 0.777 390 P CB 0.167 31.869 31.700 0.002 0.000 0.814 391 E N -0.563 119.639 120.200 0.003 0.000 2.347 391 E HA -0.100 4.250 4.350 0.000 0.000 0.196 391 E C 1.479 178.083 176.600 0.006 0.000 1.008 391 E CA 0.481 56.881 56.400 0.001 0.000 0.852 391 E CB -0.997 28.699 29.700 -0.007 0.000 0.783 391 E HN 0.200 nan 8.360 nan 0.000 0.505 392 N N 0.437 119.142 118.700 0.009 0.000 2.430 392 N HA -0.102 4.638 4.740 0.000 0.000 0.186 392 N C 0.654 176.174 175.510 0.015 0.000 1.032 392 N CA 0.851 53.909 53.050 0.014 0.000 0.893 392 N CB -0.637 37.857 38.487 0.011 0.000 0.957 392 N HN 0.276 nan 8.380 nan 0.000 0.442 393 V N 1.112 121.038 119.914 0.019 0.000 2.694 393 V HA 0.100 4.220 4.120 0.000 0.000 0.306 393 V C 0.606 176.746 176.094 0.077 0.000 1.054 393 V CA 0.512 62.838 62.300 0.044 0.000 1.161 393 V CB -0.113 31.757 31.823 0.079 0.000 0.916 393 V HN 0.005 nan 8.190 nan 0.000 0.490 394 L N 3.866 125.169 121.223 0.132 0.000 2.304 394 L HA 0.530 4.870 4.340 0.000 0.000 0.268 394 L C 0.089 177.094 176.870 0.225 0.000 1.010 394 L CA -0.999 53.921 54.840 0.134 0.000 0.813 394 L CB 1.509 43.622 42.059 0.091 0.000 1.315 394 L HN 0.695 nan 8.230 nan 0.000 0.445 395 Q N 1.982 121.840 119.800 0.096 0.000 2.373 395 Q HA 0.227 4.567 4.340 0.000 0.000 0.255 395 Q C -2.235 173.806 176.000 0.069 0.000 0.980 395 Q CA -1.567 54.262 55.803 0.042 0.000 0.882 395 Q CB 0.430 29.169 28.738 0.002 0.000 1.249 395 Q HN 0.250 nan 8.270 nan 0.000 0.438 396 P HA 0.034 nan 4.420 nan 0.000 0.272 396 P C -0.418 176.958 177.300 0.125 0.000 1.223 396 P CA -0.107 63.007 63.100 0.024 0.000 0.784 396 P CB 0.853 32.468 31.700 -0.142 0.000 0.923 397 T N 0.527 115.204 114.554 0.205 0.000 2.885 397 T HA 0.211 4.561 4.350 0.000 0.000 0.285 397 T C -0.687 174.195 174.700 0.302 0.000 1.019 397 T CA -0.484 61.778 62.100 0.270 0.000 1.010 397 T CB 0.275 69.332 68.868 0.316 0.000 1.022 397 T HN 0.378 nan 8.240 nan 0.000 0.466 398 H N 6.021 125.232 119.070 0.235 0.000 2.742 398 H HA 0.304 4.860 4.556 0.000 0.000 0.302 398 H C -1.759 173.748 175.328 0.299 0.000 1.069 398 H CA -2.108 54.088 56.048 0.247 0.000 1.446 398 H CB 1.800 31.729 29.762 0.279 0.000 1.462 398 H HN 0.412 nan 8.280 nan 0.000 0.499 399 P HA -0.118 nan 4.420 nan 0.000 0.226 399 P C 1.371 178.999 177.300 0.546 0.000 1.153 399 P CA 0.405 63.783 63.100 0.464 0.000 0.777 399 P CB 0.656 32.455 31.700 0.164 0.000 0.794 400 V N -1.426 118.787 119.914 0.498 0.000 2.346 400 V HA -0.158 3.962 4.120 0.000 0.000 0.244 400 V C 2.110 178.272 176.094 0.112 0.000 1.037 400 V CA 1.764 64.116 62.300 0.086 0.000 1.029 400 V CB -1.147 30.471 31.823 -0.341 0.000 0.663 400 V HN 0.021 nan 8.190 nan 0.000 0.454 401 Y N -1.163 119.250 120.300 0.188 0.000 2.481 401 Y HA 0.278 4.828 4.550 0.000 0.000 0.258 401 Y C 1.388 177.379 175.900 0.153 0.000 1.103 401 Y CA 0.140 58.319 58.100 0.131 0.000 1.287 401 Y CB 0.078 38.470 38.460 -0.113 0.000 1.108 401 Y HN 0.340 nan 8.280 nan 0.000 0.529 402 N N 1.374 120.275 118.700 0.336 0.000 2.727 402 N HA -0.208 4.532 4.740 0.000 0.000 0.249 402 N C -0.689 174.722 175.510 -0.165 0.000 1.048 402 N CA 0.999 54.072 53.050 0.039 0.000 0.714 402 N CB -1.373 36.912 38.487 -0.336 0.000 0.959 402 N HN 0.641 nan 8.380 nan 0.000 0.544 403 I N -4.403 116.242 120.570 0.126 0.000 3.206 403 I HA 0.784 4.954 4.170 0.000 0.000 0.313 403 I C 1.015 177.298 176.117 0.276 0.000 1.103 403 I CA -0.978 60.442 61.300 0.200 0.000 0.985 403 I CB 1.446 39.548 38.000 0.169 0.000 1.240 403 I HN -0.001 nan 8.210 nan 0.000 0.464 404 G N 1.750 110.696 108.800 0.244 0.000 2.380 404 G HA2 0.318 4.278 3.960 0.000 0.000 0.242 404 G HA3 0.318 4.278 3.960 0.000 0.000 0.242 404 G C -2.018 172.999 174.900 0.194 0.000 1.298 404 G CA -0.847 44.370 45.100 0.195 0.000 0.878 404 G HN 0.583 nan 8.290 nan 0.000 0.542 405 P HA -0.136 nan 4.420 nan 0.000 0.216 405 P C 1.561 178.950 177.300 0.149 0.000 1.150 405 P CA 1.516 64.741 63.100 0.208 0.000 0.843 405 P CB 0.197 31.961 31.700 0.106 0.000 0.787 406 D N -0.045 120.415 120.400 0.100 0.000 2.097 406 D HA -0.194 4.446 4.640 0.000 0.000 0.195 406 D C 1.475 177.824 176.300 0.082 0.000 0.989 406 D CA 1.285 55.331 54.000 0.077 0.000 0.827 406 D CB -0.753 40.080 40.800 0.055 0.000 0.966 406 D HN 0.111 nan 8.370 nan 0.000 0.456 407 K N 0.846 121.298 120.400 0.088 0.000 2.103 407 K HA -0.059 4.261 4.320 0.000 0.000 0.207 407 K C 2.544 179.184 176.600 0.066 0.000 1.048 407 K CA 0.392 56.733 56.287 0.090 0.000 0.930 407 K CB -0.837 31.717 32.500 0.090 0.000 0.716 407 K HN 0.196 nan 8.250 nan 0.000 0.444 408 V N 1.884 121.822 119.914 0.039 0.000 2.237 408 V HA -0.242 3.878 4.120 0.000 0.000 0.245 408 V C 2.454 178.533 176.094 -0.025 0.000 1.046 408 V CA 1.571 63.827 62.300 -0.073 0.000 1.007 408 V CB -0.429 31.373 31.823 -0.036 0.000 0.638 408 V HN 0.154 nan 8.190 nan 0.000 0.445 409 I N -0.394 120.208 120.570 0.054 0.000 2.091 409 I HA -0.398 3.772 4.170 0.000 0.000 0.239 409 I C 2.720 178.862 176.117 0.042 0.000 1.061 409 I CA 2.290 63.623 61.300 0.056 0.000 1.317 409 I CB -0.414 37.628 38.000 0.070 0.000 1.031 409 I HN 0.383 nan 8.210 nan 0.000 0.401 410 Q N 0.348 120.185 119.800 0.062 0.000 2.112 410 Q HA -0.281 4.060 4.340 0.000 0.000 0.206 410 Q C 2.205 178.216 176.000 0.017 0.000 0.987 410 Q CA 2.272 58.120 55.803 0.076 0.000 0.858 410 Q CB -0.134 28.684 28.738 0.134 0.000 0.905 410 Q HN 0.608 nan 8.270 nan 0.000 0.420 411 A N 0.059 122.887 122.820 0.013 0.000 1.854 411 A HA -0.174 4.146 4.320 0.000 0.000 0.214 411 A C 2.280 179.864 177.584 -0.000 0.000 1.192 411 A CA 1.974 53.931 52.037 -0.132 0.000 0.611 411 A CB -1.315 17.724 19.000 0.065 0.000 0.832 411 A HN 0.656 nan 8.150 nan 0.000 0.442 412 T N -1.817 112.745 114.554 0.014 0.000 2.624 412 T HA -0.247 4.103 4.350 0.000 0.000 0.268 412 T C 1.831 176.556 174.700 0.041 0.000 1.041 412 T CA 2.389 64.512 62.100 0.039 0.000 1.159 412 T CB -1.487 67.385 68.868 0.007 0.000 0.863 412 T HN 0.352 nan 8.240 nan 0.000 0.434 413 T N 1.199 115.760 114.554 0.011 0.000 2.635 413 T HA -0.233 4.117 4.350 0.000 0.000 0.267 413 T C 1.799 176.474 174.700 -0.041 0.000 1.040 413 T CA 1.710 63.809 62.100 -0.002 0.000 1.156 413 T CB -0.753 68.121 68.868 0.008 0.000 0.863 413 T HN 0.640 nan 8.240 nan 0.000 0.430 414 H N 0.032 118.959 119.070 -0.237 0.000 2.387 414 H HA -0.037 4.519 4.556 0.000 0.000 0.299 414 H C 1.880 176.932 175.328 -0.460 0.000 1.090 414 H CA 1.398 57.195 56.048 -0.418 0.000 1.332 414 H CB -0.386 28.922 29.762 -0.757 0.000 1.386 414 H HN 0.455 nan 8.280 nan 0.000 0.516 415 F N 0.270 120.150 119.950 -0.116 0.000 2.416 415 F HA 0.026 4.554 4.527 0.000 0.000 0.296 415 F C 2.629 178.356 175.800 -0.121 0.000 1.099 415 F CA 0.014 57.941 58.000 -0.121 0.000 1.427 415 F CB -0.073 38.888 39.000 -0.065 0.000 1.079 415 F HN 0.021 nan 8.300 nan 0.000 0.536 416 L N -0.028 121.225 121.223 0.051 0.000 2.349 416 L HA -0.263 4.077 4.340 0.000 0.000 0.220 416 L C 2.030 178.882 176.870 -0.030 0.000 1.130 416 L CA 1.211 56.057 54.840 0.011 0.000 0.791 416 L CB -0.572 41.493 42.059 0.009 0.000 0.918 416 L HN 0.271 nan 8.230 nan 0.000 0.444 417 Q N -0.208 119.532 119.800 -0.099 0.000 2.297 417 Q HA -0.042 4.298 4.340 0.000 0.000 0.204 417 Q C 0.195 176.147 176.000 -0.080 0.000 0.962 417 Q CA 0.782 56.518 55.803 -0.112 0.000 0.879 417 Q CB 0.175 28.793 28.738 -0.201 0.000 0.947 417 Q HN 0.491 nan 8.270 nan 0.000 0.462 418 K N 1.206 121.571 120.400 -0.058 0.000 2.123 418 K HA 0.391 4.711 4.320 0.000 0.000 0.248 418 K C -2.510 174.104 176.600 0.023 0.000 0.969 418 K CA -2.110 54.171 56.287 -0.011 0.000 0.882 418 K CB 0.878 33.387 32.500 0.014 0.000 1.080 418 K HN -0.154 nan 8.250 nan 0.000 0.441 419 P HA 0.079 nan 4.420 nan 0.000 0.279 419 P C -0.177 177.140 177.300 0.028 0.000 1.252 419 P CA -0.516 62.619 63.100 0.058 0.000 0.811 419 P CB 0.689 32.451 31.700 0.103 0.000 1.035 420 V N 3.657 123.547 119.914 -0.040 0.000 2.814 420 V HA -0.027 4.093 4.120 0.000 0.000 0.307 420 V C -1.673 174.383 176.094 -0.064 0.000 1.089 420 V CA -0.287 61.917 62.300 -0.159 0.000 1.212 420 V CB -0.683 30.855 31.823 -0.474 0.000 0.912 420 V HN 0.658 nan 8.190 nan 0.000 0.497 421 P HA 0.325 nan 4.420 nan 0.000 0.274 421 P C 0.559 177.951 177.300 0.154 0.000 1.256 421 P CA 0.613 63.753 63.100 0.067 0.000 0.795 421 P CB 0.528 32.260 31.700 0.053 0.000 1.038 422 G N -1.218 107.705 108.800 0.205 0.000 2.246 422 G HA2 -0.198 3.762 3.960 0.000 0.000 0.273 422 G HA3 -0.198 3.762 3.960 0.000 0.000 0.273 422 G C -0.292 174.878 174.900 0.450 0.000 1.055 422 G CA -0.100 45.162 45.100 0.269 0.000 0.851 422 G HN 0.403 nan 8.290 nan 0.000 0.500 423 F N -1.642 118.323 119.950 0.024 0.000 3.708 423 F HA 0.336 4.863 4.527 0.000 0.000 0.323 423 F C 0.691 176.503 175.800 0.020 0.000 1.006 423 F CA -0.261 57.753 58.000 0.023 0.000 0.809 423 F CB -0.287 38.730 39.000 0.029 0.000 1.652 423 F HN 0.370 nan 8.300 nan 0.000 0.461 424 E N 0.000 120.331 120.200 0.218 0.000 2.725 424 E HA 0.000 4.350 4.350 0.000 0.000 0.291 424 E CA 0.000 56.508 56.400 0.180 0.000 0.976 424 E CB 0.000 29.744 29.700 0.073 0.000 0.812 424 E HN 0.000 nan 8.360 nan 0.000 0.440