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 3egt_1_B DATA FIRST_RESID 1 DATA SEQUENCE MPMQMFMQVY DEIQMFLLEE LELKFDMDPN RVRYLRKMMD TTCLGGKYNR DATA SEQUENCE GLTVIDVAES LLSLXXXXXX XXDDGARRKR VLHDACVCGW MIEFLQAHYL DATA SEQUENCE VEDDIMDNSV TRRGKPCWYR HPDVTVQCAI NDGLLLKSWT HMMAMHFFAD DATA SEQUENCE RPFLQDLLCR FNRVDYTTAV GQLYDVTSMF DSNKLDPDVS QPTTTDFAEF DATA SEQUENCE TLSNYKRIVK YKTAYYTYLL PLVMGLIVSE ALPTVDMGVT EELAMLMGEY DATA SEQUENCE FQVQDDVMDC FTPPERLGKV GTDIQDAKCS WLAVTFLAKA SSAQVAEFKA DATA SEQUENCE NYGSGDSEKV ATVRRLYEEA DLQGDYVAYE AAVAEQVKEL IEKLRLCSPG DATA SEQUENCE FAASVETLWG KTYKRQK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.317 176.300 0.029 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 P HA -0.105 nan 4.420 nan 0.000 0.216 2 P C 1.554 178.870 177.300 0.026 0.000 1.153 2 P CA 1.695 64.787 63.100 -0.013 0.000 0.858 2 P CB -0.214 31.447 31.700 -0.066 0.000 0.789 3 M N -0.819 118.805 119.600 0.039 0.000 2.132 3 M HA -0.181 4.298 4.480 -0.001 0.000 0.263 3 M C 2.271 178.644 176.300 0.122 0.000 1.065 3 M CA 1.735 57.092 55.300 0.094 0.000 1.122 3 M CB -0.962 31.682 32.600 0.073 0.000 1.365 3 M HN -0.146 nan 8.290 nan 0.000 0.411 4 Q N -0.493 119.358 119.800 0.086 0.000 2.045 4 Q HA -0.280 4.060 4.340 -0.001 0.000 0.206 4 Q C 2.220 178.281 176.000 0.102 0.000 0.991 4 Q CA 2.584 58.434 55.803 0.080 0.000 0.851 4 Q CB -0.312 28.462 28.738 0.060 0.000 0.911 4 Q HN 0.643 nan 8.270 nan 0.000 0.418 5 M N -0.702 118.966 119.600 0.113 0.000 2.132 5 M HA -0.136 4.343 4.480 -0.001 0.000 0.263 5 M C 1.828 178.243 176.300 0.192 0.000 1.065 5 M CA 1.270 56.646 55.300 0.126 0.000 1.122 5 M CB -0.158 32.505 32.600 0.105 0.000 1.365 5 M HN 0.323 nan 8.290 nan 0.000 0.411 6 F N 1.371 121.340 119.950 0.032 0.000 2.069 6 F HA -0.285 4.241 4.527 -0.001 0.000 0.298 6 F C 2.062 178.049 175.800 0.313 0.000 1.113 6 F CA 1.735 59.785 58.000 0.082 0.000 1.214 6 F CB -0.422 38.514 39.000 -0.108 0.000 0.978 6 F HN 0.161 nan 8.300 nan 0.000 0.474 7 M N -0.373 119.346 119.600 0.198 0.000 2.229 7 M HA -0.179 4.301 4.480 -0.001 0.000 0.264 7 M C 2.136 178.480 176.300 0.074 0.000 1.063 7 M CA 1.269 56.624 55.300 0.093 0.000 1.114 7 M CB -1.466 31.159 32.600 0.041 0.000 1.387 7 M HN 0.300 nan 8.290 nan 0.000 0.420 8 Q N -0.396 119.452 119.800 0.080 0.000 2.084 8 Q HA -0.112 4.227 4.340 -0.001 0.000 0.202 8 Q C 2.148 178.155 176.000 0.011 0.000 0.978 8 Q CA 1.308 57.142 55.803 0.051 0.000 0.844 8 Q CB 0.052 28.830 28.738 0.066 0.000 0.898 8 Q HN 0.323 nan 8.270 nan 0.000 0.426 9 V N -0.142 119.777 119.914 0.009 0.000 2.548 9 V HA -0.245 3.874 4.120 -0.001 0.000 0.249 9 V C 1.746 177.677 176.094 -0.273 0.000 1.055 9 V CA 1.546 63.778 62.300 -0.114 0.000 1.065 9 V CB -0.663 31.078 31.823 -0.137 0.000 0.681 9 V HN 0.415 nan 8.190 nan 0.000 0.462 10 Y N 1.878 121.885 120.300 -0.489 0.000 2.081 10 Y HA -0.322 4.227 4.550 -0.001 0.000 0.280 10 Y C 2.451 178.036 175.900 -0.525 0.000 1.163 10 Y CA 2.287 59.819 58.100 -0.948 0.000 1.135 10 Y CB -0.409 37.403 38.460 -1.079 0.000 0.970 10 Y HN 0.338 nan 8.280 nan 0.000 0.498 11 D N -0.017 120.234 120.400 -0.249 0.000 2.123 11 D HA -0.216 4.423 4.640 -0.001 0.000 0.196 11 D C 2.063 178.231 176.300 -0.219 0.000 0.992 11 D CA 1.639 55.507 54.000 -0.220 0.000 0.833 11 D CB -0.423 40.340 40.800 -0.062 0.000 0.954 11 D HN 0.601 nan 8.370 nan 0.000 0.455 12 E N 0.338 120.449 120.200 -0.147 0.000 2.058 12 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 12 E C 2.357 178.946 176.600 -0.018 0.000 0.997 12 E CA 0.722 57.103 56.400 -0.031 0.000 0.801 12 E CB -0.048 29.680 29.700 0.047 0.000 0.746 12 E HN 0.240 nan 8.360 nan 0.000 0.450 13 I N 0.633 121.067 120.570 -0.227 0.000 2.179 13 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 13 I C 2.819 178.726 176.117 -0.350 0.000 1.088 13 I CA 1.226 62.385 61.300 -0.234 0.000 1.357 13 I CB -0.294 37.371 38.000 -0.559 0.000 1.051 13 I HN 0.231 nan 8.210 nan 0.000 0.409 14 Q N 0.761 120.207 119.800 -0.590 0.000 2.061 14 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 14 Q C 2.379 178.144 176.000 -0.392 0.000 0.984 14 Q CA 2.023 57.468 55.803 -0.597 0.000 0.846 14 Q CB -0.111 28.207 28.738 -0.699 0.000 0.902 14 Q HN 0.469 nan 8.270 nan 0.000 0.421 15 M N -0.328 119.116 119.600 -0.259 0.000 2.117 15 M HA -0.160 4.320 4.480 -0.001 0.000 0.262 15 M C 1.923 178.125 176.300 -0.163 0.000 1.065 15 M CA 1.561 56.759 55.300 -0.170 0.000 1.114 15 M CB -0.209 32.337 32.600 -0.089 0.000 1.361 15 M HN 0.395 nan 8.290 nan 0.000 0.408 16 F N 1.155 120.952 119.950 -0.255 0.000 2.095 16 F HA -0.228 4.298 4.527 -0.000 0.000 0.298 16 F C 1.612 177.202 175.800 -0.350 0.000 1.104 16 F CA 1.817 59.615 58.000 -0.337 0.000 1.232 16 F CB -0.637 38.081 39.000 -0.472 0.000 0.987 16 F HN 0.104 nan 8.300 nan 0.000 0.475 17 L N -0.013 120.775 121.223 -0.724 0.000 1.994 17 L HA -0.239 4.101 4.340 -0.001 0.000 0.208 17 L C 2.579 179.065 176.870 -0.640 0.000 1.071 17 L CA 1.526 55.831 54.840 -0.892 0.000 0.745 17 L CB -0.863 40.615 42.059 -0.968 0.000 0.892 17 L HN 0.240 nan 8.230 nan 0.000 0.431 18 L N -0.901 120.039 121.223 -0.473 0.000 2.156 18 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 18 L C 2.503 179.245 176.870 -0.214 0.000 1.095 18 L CA 0.978 55.643 54.840 -0.292 0.000 0.770 18 L CB -0.442 41.477 42.059 -0.234 0.000 0.914 18 L HN 0.296 nan 8.230 nan 0.000 0.439 19 E N 0.077 120.136 120.200 -0.235 0.000 2.107 19 E HA -0.249 4.101 4.350 -0.001 0.000 0.191 19 E C 1.974 178.476 176.600 -0.163 0.000 0.982 19 E CA 0.911 57.213 56.400 -0.162 0.000 0.809 19 E CB 0.026 29.647 29.700 -0.131 0.000 0.756 19 E HN 0.451 nan 8.360 nan 0.000 0.459 20 E N 1.212 121.233 120.200 -0.299 0.000 2.085 20 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 20 E C 2.170 178.768 176.600 -0.004 0.000 0.994 20 E CA 0.780 57.052 56.400 -0.213 0.000 0.801 20 E CB -0.019 29.390 29.700 -0.485 0.000 0.743 20 E HN 0.195 nan 8.360 nan 0.000 0.453 21 L N 0.415 121.570 121.223 -0.114 0.000 2.012 21 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 21 L C 2.699 179.629 176.870 0.100 0.000 1.073 21 L CA 1.762 56.595 54.840 -0.011 0.000 0.748 21 L CB -0.364 41.640 42.059 -0.093 0.000 0.891 21 L HN 0.237 nan 8.230 nan 0.000 0.431 22 E N -0.039 120.175 120.200 0.024 0.000 2.072 22 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 22 E C 2.233 178.855 176.600 0.037 0.000 0.985 22 E CA 1.008 57.425 56.400 0.028 0.000 0.801 22 E CB 0.104 29.801 29.700 -0.006 0.000 0.750 22 E HN 0.274 nan 8.360 nan 0.000 0.452 23 L N 0.010 121.249 121.223 0.027 0.000 2.162 23 L HA 0.009 4.349 4.340 -0.001 0.000 0.205 23 L C 1.845 178.726 176.870 0.018 0.000 1.086 23 L CA 1.317 56.166 54.840 0.014 0.000 0.778 23 L CB -0.276 41.781 42.059 -0.004 0.000 0.928 23 L HN 0.143 nan 8.230 nan 0.000 0.446 24 K N -1.822 118.617 120.400 0.065 0.000 2.391 24 K HA 0.140 4.459 4.320 -0.001 0.000 0.197 24 K C 0.847 177.317 176.600 -0.215 0.000 1.087 24 K CA 0.147 56.406 56.287 -0.047 0.000 1.012 24 K CB 0.700 33.174 32.500 -0.042 0.000 0.925 24 K HN 0.072 nan 8.250 nan 0.000 0.547 25 F N 1.055 120.991 119.950 -0.023 0.000 2.698 25 F HA 0.142 4.669 4.527 -0.001 0.000 0.304 25 F C -0.025 175.773 175.800 -0.004 0.000 1.108 25 F CA -0.450 57.545 58.000 -0.009 0.000 1.263 25 F CB 0.590 39.589 39.000 -0.001 0.000 1.013 25 F HN -0.071 nan 8.300 nan 0.000 0.532 26 D N 1.430 121.890 120.400 0.101 0.000 2.811 26 D HA -0.266 4.374 4.640 -0.001 0.000 0.231 26 D C 0.289 176.633 176.300 0.073 0.000 1.157 26 D CA 0.639 54.675 54.000 0.060 0.000 0.716 26 D CB -0.823 39.995 40.800 0.030 0.000 1.077 26 D HN 0.307 nan 8.370 nan 0.000 0.428 27 M N 1.195 120.852 119.600 0.095 0.000 2.200 27 M HA 0.088 4.567 4.480 -0.001 0.000 0.355 27 M C 0.435 176.765 176.300 0.051 0.000 1.283 27 M CA -0.286 55.060 55.300 0.076 0.000 1.124 27 M CB 0.562 33.212 32.600 0.082 0.000 1.625 27 M HN 0.085 nan 8.290 nan 0.000 0.463 28 D N 5.084 125.511 120.400 0.044 0.000 2.329 28 D HA 0.177 4.816 4.640 -0.001 0.000 0.246 28 D C -2.375 173.948 176.300 0.039 0.000 1.111 28 D CA -1.524 52.498 54.000 0.035 0.000 0.941 28 D CB 0.514 41.332 40.800 0.030 0.000 1.169 28 D HN 0.342 nan 8.370 nan 0.000 0.441 29 P HA -0.134 nan 4.420 nan 0.000 0.218 29 P C 1.068 178.398 177.300 0.051 0.000 1.148 29 P CA 0.942 64.063 63.100 0.035 0.000 0.822 29 P CB 0.178 31.894 31.700 0.026 0.000 0.784 30 N N -0.460 118.272 118.700 0.053 0.000 2.084 30 N HA -0.126 4.614 4.740 -0.001 0.000 0.190 30 N C 1.751 177.327 175.510 0.110 0.000 1.030 30 N CA 1.246 54.339 53.050 0.071 0.000 0.849 30 N CB -0.469 38.049 38.487 0.051 0.000 1.012 30 N HN 0.214 nan 8.380 nan 0.000 0.423 31 R N 0.370 120.929 120.500 0.098 0.000 2.090 31 R HA 0.067 4.406 4.340 -0.001 0.000 0.228 31 R C 2.213 178.617 176.300 0.173 0.000 1.110 31 R CA 0.412 56.598 56.100 0.143 0.000 0.973 31 R CB -0.281 30.071 30.300 0.086 0.000 0.869 31 R HN 0.006 nan 8.270 nan 0.000 0.440 32 V N 1.366 121.344 119.914 0.108 0.000 2.324 32 V HA -0.319 3.800 4.120 -0.001 0.000 0.250 32 V C 2.507 178.653 176.094 0.087 0.000 1.060 32 V CA 2.020 64.366 62.300 0.078 0.000 1.042 32 V CB -0.575 31.266 31.823 0.031 0.000 0.650 32 V HN 0.337 nan 8.190 nan 0.000 0.450 33 R N -1.169 119.391 120.500 0.099 0.000 2.066 33 R HA -0.214 4.125 4.340 -0.001 0.000 0.232 33 R C 2.396 178.781 176.300 0.142 0.000 1.131 33 R CA 2.072 58.230 56.100 0.098 0.000 0.955 33 R CB -0.515 29.842 30.300 0.094 0.000 0.851 33 R HN 0.597 nan 8.270 nan 0.000 0.432 34 Y N 0.905 121.258 120.300 0.088 0.000 2.081 34 Y HA -0.289 4.261 4.550 -0.000 0.000 0.280 34 Y C 1.893 177.885 175.900 0.154 0.000 1.163 34 Y CA 1.718 59.898 58.100 0.132 0.000 1.135 34 Y CB -0.307 38.230 38.460 0.128 0.000 0.970 34 Y HN 0.083 nan 8.280 nan 0.000 0.498 35 L N 0.818 122.175 121.223 0.222 0.000 2.131 35 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 35 L C 2.611 179.523 176.870 0.070 0.000 1.092 35 L CA 1.758 56.710 54.840 0.187 0.000 0.759 35 L CB -1.236 41.015 42.059 0.320 0.000 0.903 35 L HN 0.290 nan 8.230 nan 0.000 0.435 36 R N -0.379 120.129 120.500 0.013 0.000 2.075 36 R HA -0.216 4.124 4.340 -0.001 0.000 0.232 36 R C 2.289 178.556 176.300 -0.055 0.000 1.126 36 R CA 1.533 57.606 56.100 -0.045 0.000 0.963 36 R CB -0.002 30.277 30.300 -0.035 0.000 0.858 36 R HN 0.083 nan 8.270 nan 0.000 0.435 37 K N 0.620 120.988 120.400 -0.054 0.000 2.097 37 K HA -0.090 4.229 4.320 -0.001 0.000 0.205 37 K C 2.047 178.538 176.600 -0.182 0.000 1.050 37 K CA 1.420 57.674 56.287 -0.055 0.000 0.938 37 K CB -0.318 32.189 32.500 0.011 0.000 0.718 37 K HN 0.113 nan 8.250 nan 0.000 0.442 38 M N 0.231 119.619 119.600 -0.354 0.000 2.065 38 M HA -0.198 4.282 4.480 -0.001 0.000 0.259 38 M C 2.074 178.026 176.300 -0.581 0.000 1.069 38 M CA 1.932 56.725 55.300 -0.845 0.000 1.110 38 M CB -0.467 31.700 32.600 -0.722 0.000 1.328 38 M HN 0.439 nan 8.290 nan 0.000 0.405 39 M N 0.246 119.720 119.600 -0.210 0.000 2.065 39 M HA -0.272 4.208 4.480 -0.001 0.000 0.259 39 M C 1.313 177.526 176.300 -0.145 0.000 1.069 39 M CA 2.267 57.503 55.300 -0.107 0.000 1.110 39 M CB -0.514 32.059 32.600 -0.046 0.000 1.328 39 M HN 0.199 nan 8.290 nan 0.000 0.405 40 D N -0.289 120.066 120.400 -0.076 0.000 2.117 40 D HA -0.134 4.505 4.640 -0.001 0.000 0.197 40 D C 1.894 178.137 176.300 -0.094 0.000 0.987 40 D CA 1.978 55.952 54.000 -0.044 0.000 0.829 40 D CB -0.557 40.238 40.800 -0.008 0.000 0.961 40 D HN 0.430 nan 8.370 nan 0.000 0.460 41 T N -0.133 114.333 114.554 -0.145 0.000 2.857 41 T HA -0.092 4.257 4.350 -0.001 0.000 0.266 41 T C 2.113 176.734 174.700 -0.132 0.000 1.048 41 T CA 1.839 63.882 62.100 -0.094 0.000 1.139 41 T CB -0.238 68.595 68.868 -0.058 0.000 0.874 41 T HN 0.346 nan 8.240 nan 0.000 0.455 42 T N -1.110 113.271 114.554 -0.288 0.000 3.009 42 T HA 0.016 4.366 4.350 -0.001 0.000 0.258 42 T C 2.131 176.750 174.700 -0.134 0.000 1.063 42 T CA 0.511 62.466 62.100 -0.241 0.000 1.139 42 T CB -0.735 67.887 68.868 -0.411 0.000 0.890 42 T HN 0.411 nan 8.240 nan 0.000 0.471 43 C N 0.827 120.033 119.300 -0.156 0.000 2.674 43 C HA 0.551 5.011 4.460 -0.001 0.000 0.276 43 C C 0.916 175.988 174.990 0.136 0.000 1.300 43 C CA -0.762 58.218 59.018 -0.063 0.000 1.732 43 C CB -0.847 26.711 27.740 -0.304 0.000 2.076 43 C HN 0.488 nan 8.230 nan 0.000 0.548 44 L N 0.238 121.484 121.223 0.038 0.000 2.334 44 L HA 0.660 5.000 4.340 -0.001 0.000 0.270 44 L C 1.201 178.110 176.870 0.065 0.000 1.018 44 L CA 0.507 55.428 54.840 0.134 0.000 0.811 44 L CB 0.916 42.948 42.059 -0.046 0.000 1.271 44 L HN 0.344 nan 8.230 nan 0.000 0.443 45 G N 0.634 109.476 108.800 0.071 0.000 2.176 45 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.232 45 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.232 45 G C 0.318 175.124 174.900 -0.155 0.000 0.986 45 G CA -0.161 44.927 45.100 -0.020 0.000 0.643 45 G HN 1.023 nan 8.290 nan 0.000 0.522 46 G N -0.506 108.057 108.800 -0.396 0.000 2.543 46 G HA2 0.580 4.539 3.960 -0.001 0.000 0.267 46 G HA3 0.580 4.539 3.960 -0.001 0.000 0.267 46 G C 0.764 175.289 174.900 -0.624 0.000 1.406 46 G CA 0.187 45.037 45.100 -0.416 0.000 1.048 46 G HN 0.329 nan 8.290 nan 0.000 0.548 47 K N -1.234 118.935 120.400 -0.385 0.000 2.393 47 K HA 0.146 4.465 4.320 -0.001 0.000 0.193 47 K C -0.335 176.198 176.600 -0.111 0.000 1.026 47 K CA -0.081 56.087 56.287 -0.198 0.000 1.064 47 K CB 0.046 32.511 32.500 -0.059 0.000 0.833 47 K HN 0.431 nan 8.250 nan 0.000 0.521 48 Y N -0.023 120.289 120.300 0.020 0.000 3.721 48 Y HA -0.318 4.232 4.550 -0.001 0.000 0.218 48 Y C 0.858 176.674 175.900 -0.140 0.000 1.188 48 Y CA 0.116 58.197 58.100 -0.031 0.000 1.607 48 Y CB -2.920 35.549 38.460 0.015 0.000 1.496 48 Y HN 0.193 nan 8.280 nan 0.000 0.626 49 N N 0.418 119.096 118.700 -0.037 0.000 2.104 49 N HA -0.139 4.600 4.740 -0.001 0.000 0.190 49 N C 1.870 177.272 175.510 -0.180 0.000 1.024 49 N CA 1.882 54.865 53.050 -0.111 0.000 0.853 49 N CB -0.200 38.216 38.487 -0.118 0.000 1.008 49 N HN 0.609 nan 8.380 nan 0.000 0.424 50 R N -0.218 120.182 120.500 -0.166 0.000 2.070 50 R HA -0.030 4.309 4.340 -0.001 0.000 0.233 50 R C 2.354 178.569 176.300 -0.142 0.000 1.137 50 R CA 1.463 57.465 56.100 -0.164 0.000 0.945 50 R CB -0.774 29.480 30.300 -0.077 0.000 0.845 50 R HN 0.247 nan 8.270 nan 0.000 0.430 51 G N 1.016 109.729 108.800 -0.145 0.000 2.421 51 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.216 51 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.216 51 G C 1.428 175.968 174.900 -0.600 0.000 1.171 51 G CA 0.518 45.428 45.100 -0.317 0.000 0.775 51 G HN 0.125 nan 8.290 nan 0.000 0.543 52 L N 0.603 121.455 121.223 -0.618 0.000 2.191 52 L HA -0.068 4.272 4.340 -0.001 0.000 0.212 52 L C 3.117 179.800 176.870 -0.311 0.000 1.103 52 L CA 1.261 55.775 54.840 -0.544 0.000 0.769 52 L CB -0.583 41.251 42.059 -0.374 0.000 0.908 52 L HN 0.184 nan 8.230 nan 0.000 0.438 53 T N -0.581 113.830 114.554 -0.237 0.000 2.788 53 T HA -0.145 4.205 4.350 -0.001 0.000 0.268 53 T C 2.029 176.654 174.700 -0.124 0.000 1.044 53 T CA 1.230 63.233 62.100 -0.160 0.000 1.139 53 T CB -0.150 68.622 68.868 -0.159 0.000 0.867 53 T HN 0.077 nan 8.240 nan 0.000 0.454 54 V N 1.546 121.377 119.914 -0.139 0.000 2.295 54 V HA -0.162 3.958 4.120 -0.001 0.000 0.246 54 V C 2.381 178.420 176.094 -0.091 0.000 1.049 54 V CA 1.551 63.800 62.300 -0.086 0.000 1.024 54 V CB -0.661 31.125 31.823 -0.062 0.000 0.648 54 V HN 0.493 nan 8.190 nan 0.000 0.447 55 I N 0.352 120.830 120.570 -0.154 0.000 2.163 55 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 55 I C 2.361 178.428 176.117 -0.083 0.000 1.085 55 I CA 2.176 63.402 61.300 -0.123 0.000 1.347 55 I CB -0.502 37.382 38.000 -0.193 0.000 1.044 55 I HN 0.367 nan 8.210 nan 0.000 0.408 56 D N 0.593 120.935 120.400 -0.097 0.000 2.097 56 D HA -0.143 4.497 4.640 -0.001 0.000 0.195 56 D C 2.194 178.480 176.300 -0.024 0.000 0.989 56 D CA 1.108 55.071 54.000 -0.062 0.000 0.827 56 D CB 0.103 40.859 40.800 -0.074 0.000 0.966 56 D HN 0.048 nan 8.370 nan 0.000 0.456 57 V N 0.766 120.676 119.914 -0.008 0.000 2.287 57 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 57 V C 2.547 178.672 176.094 0.051 0.000 1.053 57 V CA 1.909 64.246 62.300 0.062 0.000 1.027 57 V CB -1.010 30.887 31.823 0.123 0.000 0.646 57 V HN 0.330 nan 8.190 nan 0.000 0.447 58 A N -0.582 122.244 122.820 0.011 0.000 1.865 58 A HA -0.298 4.022 4.320 -0.001 0.000 0.217 58 A C 2.308 179.897 177.584 0.009 0.000 1.191 58 A CA 2.058 54.095 52.037 -0.000 0.000 0.623 58 A CB -0.653 18.338 19.000 -0.015 0.000 0.826 58 A HN 0.595 nan 8.150 nan 0.000 0.444 59 E N -0.237 119.964 120.200 0.003 0.000 2.209 59 E HA -0.149 4.201 4.350 -0.001 0.000 0.196 59 E C 2.008 178.615 176.600 0.012 0.000 0.993 59 E CA 1.245 57.648 56.400 0.005 0.000 0.819 59 E CB -0.044 29.653 29.700 -0.006 0.000 0.745 59 E HN 0.580 nan 8.360 nan 0.000 0.477 60 S N 0.215 115.927 115.700 0.019 0.000 2.377 60 S HA 0.010 4.479 4.470 -0.001 0.000 0.223 60 S C 1.504 176.128 174.600 0.040 0.000 1.030 60 S CA 0.285 58.502 58.200 0.029 0.000 0.970 60 S CB 0.113 63.336 63.200 0.039 0.000 0.830 60 S HN 0.276 nan 8.310 nan 0.000 0.473 61 L N 1.467 122.717 121.223 0.045 0.000 2.599 61 L HA 0.207 4.547 4.340 -0.001 0.000 0.230 61 L C 0.123 177.004 176.870 0.018 0.000 1.141 61 L CA 0.470 55.331 54.840 0.035 0.000 0.877 61 L CB -0.971 41.103 42.059 0.025 0.000 1.009 61 L HN 0.262 nan 8.230 nan 0.000 0.447 62 L N 0.726 121.960 121.223 0.018 0.000 2.399 62 L HA 0.088 4.428 4.340 -0.001 0.000 0.257 62 L C 1.112 177.991 176.870 0.015 0.000 1.236 62 L CA 0.467 55.316 54.840 0.015 0.000 1.144 62 L CB -0.285 41.784 42.059 0.017 0.000 1.379 62 L HN 0.258 nan 8.230 nan 0.000 0.414 63 S N 0.802 116.510 115.700 0.013 0.000 2.462 63 S HA 0.225 4.694 4.470 -0.001 0.000 0.269 63 S C 0.503 175.108 174.600 0.009 0.000 1.005 63 S CA -0.397 57.810 58.200 0.011 0.000 1.260 63 S CB -0.254 62.954 63.200 0.012 0.000 0.990 63 S HN 0.201 nan 8.310 nan 0.000 0.477 74 D N 2.694 123.101 120.400 0.012 0.000 2.350 74 D HA 0.196 4.836 4.640 -0.001 0.000 0.213 74 D C 1.346 177.653 176.300 0.013 0.000 1.031 74 D CA 0.797 54.803 54.000 0.011 0.000 0.861 74 D CB 0.544 41.350 40.800 0.009 0.000 0.926 74 D HN 0.702 nan 8.370 nan 0.000 0.520 75 G N 0.409 109.219 108.800 0.016 0.000 2.428 75 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.199 75 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.199 75 G C 1.284 176.197 174.900 0.022 0.000 1.005 75 G CA 0.372 45.484 45.100 0.020 0.000 0.671 75 G HN 0.599 nan 8.290 nan 0.000 0.485 76 A N 0.654 123.485 122.820 0.018 0.000 1.873 76 A HA 0.174 4.493 4.320 -0.001 0.000 0.215 76 A C 2.236 179.835 177.584 0.025 0.000 1.186 76 A CA 2.206 54.254 52.037 0.017 0.000 0.616 76 A CB -0.479 18.527 19.000 0.011 0.000 0.823 76 A HN 0.310 nan 8.150 nan 0.000 0.442 77 R N -0.507 120.008 120.500 0.025 0.000 2.080 77 R HA -0.164 4.175 4.340 -0.001 0.000 0.236 77 R C 2.476 178.801 176.300 0.042 0.000 1.137 77 R CA 1.871 57.990 56.100 0.032 0.000 0.943 77 R CB -0.546 29.770 30.300 0.026 0.000 0.846 77 R HN 0.647 nan 8.270 nan 0.000 0.431 78 R N 1.061 121.583 120.500 0.037 0.000 2.094 78 R HA -0.190 4.149 4.340 -0.001 0.000 0.239 78 R C 2.313 178.648 176.300 0.057 0.000 1.137 78 R CA 2.203 58.328 56.100 0.042 0.000 0.943 78 R CB -0.239 30.081 30.300 0.033 0.000 0.850 78 R HN 0.088 nan 8.270 nan 0.000 0.433 79 K N 0.340 120.772 120.400 0.055 0.000 2.032 79 K HA -0.250 4.070 4.320 -0.001 0.000 0.209 79 K C 2.332 178.990 176.600 0.097 0.000 1.048 79 K CA 1.968 58.297 56.287 0.069 0.000 0.927 79 K CB -0.201 32.326 32.500 0.046 0.000 0.712 79 K HN 0.166 nan 8.250 nan 0.000 0.441 80 R N 0.293 120.841 120.500 0.080 0.000 2.062 80 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 80 R C 2.081 178.475 176.300 0.156 0.000 1.136 80 R CA 1.555 57.719 56.100 0.106 0.000 0.948 80 R CB -0.340 30.005 30.300 0.076 0.000 0.845 80 R HN 0.074 nan 8.270 nan 0.000 0.430 81 V N 1.705 121.688 119.914 0.115 0.000 2.332 81 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 81 V C 2.392 178.551 176.094 0.107 0.000 1.055 81 V CA 1.792 64.154 62.300 0.102 0.000 1.038 81 V CB -0.408 31.451 31.823 0.059 0.000 0.651 81 V HN 0.351 nan 8.190 nan 0.000 0.450 82 L N -1.004 120.284 121.223 0.108 0.000 2.156 82 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 82 L C 2.604 179.556 176.870 0.137 0.000 1.095 82 L CA 1.467 56.365 54.840 0.097 0.000 0.770 82 L CB -0.801 41.307 42.059 0.081 0.000 0.914 82 L HN 0.443 nan 8.230 nan 0.000 0.439 83 H N 0.619 119.743 119.070 0.090 0.000 2.326 83 H HA -0.156 4.399 4.556 -0.001 0.000 0.301 83 H C 1.564 176.979 175.328 0.144 0.000 1.081 83 H CA 1.787 57.894 56.048 0.099 0.000 1.334 83 H CB 0.235 30.050 29.762 0.088 0.000 1.385 83 H HN 0.287 nan 8.280 nan 0.000 0.504 84 D N 0.560 121.188 120.400 0.380 0.000 2.149 84 D HA -0.120 4.520 4.640 -0.001 0.000 0.198 84 D C 2.202 178.671 176.300 0.281 0.000 0.990 84 D CA 1.289 55.571 54.000 0.470 0.000 0.839 84 D CB -0.434 40.586 40.800 0.368 0.000 0.948 84 D HN 0.468 nan 8.370 nan 0.000 0.460 85 A N 0.104 123.003 122.820 0.131 0.000 1.898 85 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 85 A C 2.505 180.131 177.584 0.069 0.000 1.181 85 A CA 1.147 53.218 52.037 0.056 0.000 0.620 85 A CB -0.885 18.119 19.000 0.007 0.000 0.819 85 A HN 0.349 nan 8.150 nan 0.000 0.442 86 C N -1.160 118.183 119.300 0.072 0.000 2.429 86 C HA -0.077 4.382 4.460 -0.001 0.000 0.277 86 C C 2.748 177.832 174.990 0.157 0.000 1.262 86 C CA 1.128 60.235 59.018 0.149 0.000 1.733 86 C CB -1.251 26.540 27.740 0.084 0.000 2.010 86 C HN 0.463 nan 8.230 nan 0.000 0.483 87 V N -0.107 119.812 119.914 0.008 0.000 2.295 87 V HA -0.278 3.842 4.120 -0.001 0.000 0.246 87 V C 2.511 178.685 176.094 0.133 0.000 1.049 87 V CA 2.301 64.554 62.300 -0.078 0.000 1.024 87 V CB -0.941 30.646 31.823 -0.393 0.000 0.648 87 V HN 0.674 nan 8.190 nan 0.000 0.447 88 C N 0.774 120.244 119.300 0.282 0.000 2.413 88 C HA -0.083 4.377 4.460 -0.001 0.000 0.276 88 C C 2.955 178.070 174.990 0.209 0.000 1.248 88 C CA 0.783 59.951 59.018 0.250 0.000 1.742 88 C CB -1.737 26.108 27.740 0.175 0.000 2.017 88 C HN 0.711 nan 8.230 nan 0.000 0.481 89 G N -0.584 108.312 108.800 0.159 0.000 2.491 89 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.218 89 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.218 89 G C 1.361 176.396 174.900 0.226 0.000 1.180 89 G CA 0.917 46.087 45.100 0.116 0.000 0.774 89 G HN 0.688 nan 8.290 nan 0.000 0.562 90 W N 0.407 121.937 121.300 0.383 0.000 2.374 90 W HA 0.098 4.757 4.660 -0.001 0.000 0.288 90 W C 2.949 179.622 176.519 0.257 0.000 1.218 90 W CA 0.493 58.003 57.345 0.276 0.000 1.245 90 W CB -0.192 29.263 29.460 -0.009 0.000 1.126 90 W HN 0.130 nan 8.180 nan 0.000 0.545 91 M N -0.162 119.636 119.600 0.329 0.000 2.073 91 M HA -0.274 4.205 4.480 -0.001 0.000 0.258 91 M C 1.912 178.541 176.300 0.549 0.000 1.070 91 M CA 1.878 57.351 55.300 0.288 0.000 1.103 91 M CB -0.815 31.816 32.600 0.051 0.000 1.321 91 M HN -0.005 nan 8.290 nan 0.000 0.405 92 I N -0.659 120.221 120.570 0.516 0.000 2.315 92 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 92 I C 2.335 178.698 176.117 0.410 0.000 1.117 92 I CA 0.933 62.507 61.300 0.457 0.000 1.404 92 I CB -0.716 37.483 38.000 0.331 0.000 1.071 92 I HN 0.287 nan 8.210 nan 0.000 0.419 93 E N 0.928 121.406 120.200 0.463 0.000 2.072 93 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 93 E C 2.193 179.106 176.600 0.522 0.000 0.985 93 E CA 1.428 58.124 56.400 0.494 0.000 0.801 93 E CB -0.320 29.725 29.700 0.574 0.000 0.750 93 E HN 0.489 nan 8.360 nan 0.000 0.452 94 F N 0.417 120.612 119.950 0.408 0.000 2.186 94 F HA -0.160 4.366 4.527 -0.001 0.000 0.299 94 F C 2.358 178.277 175.800 0.197 0.000 1.090 94 F CA 0.259 58.454 58.000 0.325 0.000 1.307 94 F CB -0.109 39.097 39.000 0.344 0.000 1.019 94 F HN 0.039 nan 8.300 nan 0.000 0.489 95 L N 0.589 122.025 121.223 0.354 0.000 2.017 95 L HA -0.251 4.089 4.340 -0.001 0.000 0.208 95 L C 2.483 179.158 176.870 -0.325 0.000 1.073 95 L CA 1.933 56.761 54.840 -0.020 0.000 0.745 95 L CB -0.987 41.037 42.059 -0.059 0.000 0.894 95 L HN 0.234 nan 8.230 nan 0.000 0.432 96 Q N -0.713 119.064 119.800 -0.038 0.000 2.135 96 Q HA -0.218 4.122 4.340 -0.001 0.000 0.204 96 Q C 2.101 178.165 176.000 0.105 0.000 0.981 96 Q CA 1.958 57.823 55.803 0.104 0.000 0.856 96 Q CB -0.296 28.655 28.738 0.354 0.000 0.902 96 Q HN 0.596 nan 8.270 nan 0.000 0.425 97 A N 0.406 123.287 122.820 0.103 0.000 1.908 97 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 97 A C 1.866 179.469 177.584 0.032 0.000 1.181 97 A CA 1.941 54.005 52.037 0.045 0.000 0.627 97 A CB -1.209 17.767 19.000 -0.041 0.000 0.818 97 A HN 0.792 nan 8.150 nan 0.000 0.445 98 H N -1.920 117.108 119.070 -0.070 0.000 2.319 98 H HA -0.206 4.349 4.556 -0.001 0.000 0.299 98 H C 1.811 177.158 175.328 0.032 0.000 1.092 98 H CA 2.339 58.345 56.048 -0.071 0.000 1.302 98 H CB -0.399 29.286 29.762 -0.128 0.000 1.373 98 H HN 0.468 nan 8.280 nan 0.000 0.497 99 Y N -0.117 120.091 120.300 -0.152 0.000 2.128 99 Y HA -0.154 4.396 4.550 -0.001 0.000 0.284 99 Y C 2.498 178.322 175.900 -0.127 0.000 1.154 99 Y CA 0.909 58.875 58.100 -0.223 0.000 1.149 99 Y CB -0.914 37.442 38.460 -0.175 0.000 0.976 99 Y HN 0.251 nan 8.280 nan 0.000 0.505 100 L N -1.098 120.208 121.223 0.137 0.000 2.046 100 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 100 L C 2.515 179.438 176.870 0.088 0.000 1.077 100 L CA 1.037 55.947 54.840 0.118 0.000 0.747 100 L CB -1.419 40.721 42.059 0.135 0.000 0.896 100 L HN 0.022 nan 8.230 nan 0.000 0.432 101 V N -0.397 119.550 119.914 0.056 0.000 2.287 101 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 101 V C 2.532 178.647 176.094 0.035 0.000 1.053 101 V CA 1.636 63.991 62.300 0.091 0.000 1.027 101 V CB -0.432 31.423 31.823 0.053 0.000 0.646 101 V HN 0.449 nan 8.190 nan 0.000 0.447 102 E N -0.155 120.010 120.200 -0.058 0.000 2.107 102 E HA -0.205 4.145 4.350 -0.001 0.000 0.191 102 E C 1.953 178.505 176.600 -0.081 0.000 0.982 102 E CA 1.438 57.782 56.400 -0.092 0.000 0.809 102 E CB -0.386 29.216 29.700 -0.164 0.000 0.756 102 E HN 0.757 nan 8.360 nan 0.000 0.459 103 D N 1.182 121.558 120.400 -0.041 0.000 2.117 103 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 103 D C 1.421 177.713 176.300 -0.013 0.000 0.987 103 D CA 1.221 55.212 54.000 -0.014 0.000 0.829 103 D CB 0.115 40.932 40.800 0.029 0.000 0.961 103 D HN -0.082 nan 8.370 nan 0.000 0.460 104 D N -0.132 120.277 120.400 0.016 0.000 2.144 104 D HA -0.131 4.508 4.640 -0.001 0.000 0.199 104 D C 2.231 178.415 176.300 -0.193 0.000 0.984 104 D CA 0.633 54.663 54.000 0.051 0.000 0.834 104 D CB -0.197 40.738 40.800 0.225 0.000 0.955 104 D HN 0.407 nan 8.370 nan 0.000 0.465 105 I N 0.494 120.776 120.570 -0.480 0.000 2.099 105 I HA -0.297 3.872 4.170 -0.001 0.000 0.239 105 I C 2.569 178.485 176.117 -0.334 0.000 1.066 105 I CA 1.043 61.887 61.300 -0.760 0.000 1.324 105 I CB -0.272 37.426 38.000 -0.503 0.000 1.037 105 I HN -0.036 nan 8.210 nan 0.000 0.401 106 M N 0.027 119.526 119.600 -0.169 0.000 2.149 106 M HA -0.222 4.258 4.480 -0.001 0.000 0.261 106 M C 1.098 177.381 176.300 -0.029 0.000 1.064 106 M CA 1.646 56.903 55.300 -0.072 0.000 1.102 106 M CB -0.450 32.128 32.600 -0.037 0.000 1.369 106 M HN 0.166 nan 8.290 nan 0.000 0.408 107 D N -0.409 119.979 120.400 -0.020 0.000 2.339 107 D HA 0.015 4.655 4.640 -0.001 0.000 0.217 107 D C 0.151 176.477 176.300 0.043 0.000 1.050 107 D CA 0.255 54.270 54.000 0.026 0.000 0.856 107 D CB -0.422 40.406 40.800 0.046 0.000 0.922 107 D HN 0.248 nan 8.370 nan 0.000 0.518 108 N N 0.136 118.855 118.700 0.033 0.000 2.727 108 N HA -0.206 4.534 4.740 -0.001 0.000 0.249 108 N C -0.903 174.715 175.510 0.180 0.000 1.048 108 N CA 0.353 53.475 53.050 0.121 0.000 0.714 108 N CB -1.104 37.434 38.487 0.086 0.000 0.959 108 N HN -0.092 nan 8.380 nan 0.000 0.544 109 S N -1.363 114.464 115.700 0.213 0.000 2.624 109 S HA 0.403 4.873 4.470 -0.001 0.000 0.263 109 S C 1.755 176.482 174.600 0.212 0.000 1.287 109 S CA -0.253 58.059 58.200 0.188 0.000 0.990 109 S CB 1.609 64.909 63.200 0.167 0.000 0.950 109 S HN 0.408 nan 8.310 nan 0.000 0.561 110 V N -1.382 118.596 119.914 0.106 0.000 2.911 110 V HA 0.296 4.415 4.120 -0.001 0.000 0.237 110 V C 0.698 176.804 176.094 0.020 0.000 1.156 110 V CA 0.679 62.998 62.300 0.031 0.000 1.180 110 V CB -0.656 31.169 31.823 0.004 0.000 0.932 110 V HN 0.858 nan 8.190 nan 0.000 0.483 111 T N -0.348 114.235 114.554 0.048 0.000 2.916 111 T HA 0.810 5.159 4.350 -0.001 0.000 0.292 111 T C -0.756 173.995 174.700 0.086 0.000 1.064 111 T CA -0.675 61.456 62.100 0.052 0.000 1.011 111 T CB 2.901 71.784 68.868 0.025 0.000 1.152 111 T HN 0.566 nan 8.240 nan 0.000 0.510 112 R N -0.078 120.480 120.500 0.096 0.000 2.535 112 R HA 0.534 4.873 4.340 -0.001 0.000 0.274 112 R C -0.564 175.789 176.300 0.087 0.000 1.090 112 R CA -0.592 55.570 56.100 0.105 0.000 0.930 112 R CB 0.886 31.274 30.300 0.147 0.000 1.223 112 R HN 0.819 nan 8.270 nan 0.000 0.441 113 R N 3.058 123.596 120.500 0.062 0.000 3.387 113 R HA -0.240 4.100 4.340 -0.001 0.000 0.254 113 R C 0.718 177.044 176.300 0.043 0.000 1.006 113 R CA 1.122 57.248 56.100 0.042 0.000 0.677 113 R CB -1.836 28.485 30.300 0.035 0.000 1.063 113 R HN 1.160 nan 8.270 nan 0.000 0.453 114 G N -1.072 107.752 108.800 0.039 0.000 2.184 114 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.264 114 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.264 114 G C 0.070 174.989 174.900 0.031 0.000 0.975 114 G CA 0.970 46.087 45.100 0.029 0.000 0.642 114 G HN 0.442 nan 8.290 nan 0.000 0.536 115 K N 0.175 120.608 120.400 0.054 0.000 2.306 115 K HA 0.595 4.914 4.320 -0.001 0.000 0.236 115 K C -2.716 173.910 176.600 0.044 0.000 1.013 115 K CA -2.438 53.880 56.287 0.052 0.000 0.857 115 K CB 1.759 34.340 32.500 0.135 0.000 1.214 115 K HN -0.092 nan 8.250 nan 0.000 0.449 116 P HA -0.013 nan 4.420 nan 0.000 0.268 116 P C -0.441 176.954 177.300 0.157 0.000 1.208 116 P CA -0.336 62.736 63.100 -0.046 0.000 0.777 116 P CB 0.343 31.878 31.700 -0.275 0.000 0.875 117 C N 1.915 121.295 119.300 0.134 0.000 2.727 117 C HA -0.034 4.425 4.460 -0.001 0.000 0.401 117 C C 2.136 177.351 174.990 0.375 0.000 1.294 117 C CA -0.272 58.906 59.018 0.267 0.000 2.134 117 C CB -0.886 27.040 27.740 0.311 0.000 2.724 117 C HN 0.749 nan 8.230 nan 0.000 0.677 118 W N 1.417 122.841 121.300 0.207 0.000 2.317 118 W HA -0.207 4.453 4.660 -0.000 0.000 0.318 118 W C 2.138 178.759 176.519 0.171 0.000 1.227 118 W CA 2.266 59.658 57.345 0.078 0.000 1.269 118 W CB -0.508 28.956 29.460 0.007 0.000 1.155 118 W HN 0.986 nan 8.180 nan 0.000 0.484 119 Y N 0.851 121.192 120.300 0.068 0.000 2.574 119 Y HA 0.057 4.606 4.550 -0.001 0.000 0.294 119 Y C 1.936 177.814 175.900 -0.038 0.000 1.142 119 Y CA 1.038 59.116 58.100 -0.035 0.000 1.314 119 Y CB -1.151 37.341 38.460 0.053 0.000 0.991 119 Y HN -0.204 nan 8.280 nan 0.000 0.555 120 R N -0.023 120.157 120.500 -0.533 0.000 2.317 120 R HA 0.051 4.391 4.340 -0.001 0.000 0.208 120 R C -0.505 175.646 176.300 -0.249 0.000 0.914 120 R CA -0.030 55.770 56.100 -0.500 0.000 1.060 120 R CB -0.506 29.504 30.300 -0.483 0.000 1.015 120 R HN 0.424 nan 8.270 nan 0.000 0.498 121 H N 1.324 120.189 119.070 -0.343 0.000 2.928 121 H HA 0.033 4.588 4.556 -0.001 0.000 0.338 121 H C -1.347 173.830 175.328 -0.251 0.000 1.047 121 H CA -1.221 54.643 56.048 -0.306 0.000 1.435 121 H CB 0.663 30.134 29.762 -0.485 0.000 1.428 121 H HN -0.154 nan 8.280 nan 0.000 0.590 122 P HA -0.165 nan 4.420 nan 0.000 0.216 122 P C 0.847 178.109 177.300 -0.062 0.000 1.154 122 P CA 2.309 65.356 63.100 -0.089 0.000 0.865 122 P CB 0.104 31.758 31.700 -0.076 0.000 0.789 123 D N -1.239 119.135 120.400 -0.043 0.000 2.342 123 D HA 0.240 4.879 4.640 -0.001 0.000 0.221 123 D C 0.265 176.544 176.300 -0.034 0.000 1.101 123 D CA 0.000 53.989 54.000 -0.018 0.000 0.837 123 D CB -0.228 40.594 40.800 0.038 0.000 0.938 123 D HN -0.007 nan 8.370 nan 0.000 0.508 124 V N 2.128 121.963 119.914 -0.133 0.000 2.384 124 V HA 0.468 4.587 4.120 -0.001 0.000 0.287 124 V C 0.848 176.879 176.094 -0.104 0.000 1.020 124 V CA -0.608 61.582 62.300 -0.183 0.000 0.850 124 V CB 0.894 32.336 31.823 -0.635 0.000 0.987 124 V HN 0.498 nan 8.190 nan 0.000 0.436 125 T N 1.674 116.206 114.554 -0.036 0.000 2.868 125 T HA 0.273 4.623 4.350 -0.001 0.000 0.292 125 T C 1.242 175.969 174.700 0.046 0.000 1.028 125 T CA 0.019 62.118 62.100 -0.002 0.000 1.059 125 T CB 1.752 70.620 68.868 0.001 0.000 0.991 125 T HN 0.295 nan 8.240 nan 0.000 0.531 126 V N 1.903 121.865 119.914 0.080 0.000 2.332 126 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 126 V C 2.902 179.053 176.094 0.094 0.000 1.055 126 V CA 2.415 64.794 62.300 0.132 0.000 1.038 126 V CB -0.923 30.983 31.823 0.137 0.000 0.651 126 V HN 1.017 nan 8.190 nan 0.000 0.450 127 Q N -0.790 119.048 119.800 0.063 0.000 2.124 127 Q HA -0.241 4.099 4.340 -0.001 0.000 0.202 127 Q C 2.319 178.359 176.000 0.067 0.000 0.977 127 Q CA 2.435 58.269 55.803 0.051 0.000 0.850 127 Q CB -1.615 27.142 28.738 0.031 0.000 0.901 127 Q HN 0.646 nan 8.270 nan 0.000 0.429 128 C N 1.108 120.452 119.300 0.074 0.000 2.446 128 C HA 0.145 4.605 4.460 -0.001 0.000 0.277 128 C C 3.053 178.175 174.990 0.219 0.000 1.275 128 C CA 0.962 60.049 59.018 0.115 0.000 1.727 128 C CB -1.206 26.585 27.740 0.084 0.000 2.010 128 C HN 0.687 nan 8.230 nan 0.000 0.486 129 A N 0.562 123.517 122.820 0.225 0.000 1.892 129 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 129 A C 1.998 179.734 177.584 0.253 0.000 1.188 129 A CA 2.190 54.432 52.037 0.342 0.000 0.631 129 A CB -0.746 18.433 19.000 0.299 0.000 0.822 129 A HN 0.645 nan 8.150 nan 0.000 0.447 130 I N -0.539 120.119 120.570 0.146 0.000 2.163 130 I HA -0.295 3.875 4.170 -0.001 0.000 0.243 130 I C 2.437 178.606 176.117 0.086 0.000 1.085 130 I CA 1.875 63.228 61.300 0.088 0.000 1.347 130 I CB -0.442 37.589 38.000 0.052 0.000 1.044 130 I HN 0.405 nan 8.210 nan 0.000 0.408 131 N N 0.692 119.444 118.700 0.086 0.000 2.188 131 N HA -0.189 4.550 4.740 -0.001 0.000 0.184 131 N C 1.446 176.978 175.510 0.036 0.000 1.018 131 N CA 1.345 54.427 53.050 0.054 0.000 0.858 131 N CB -0.053 38.462 38.487 0.047 0.000 0.989 131 N HN 0.207 nan 8.380 nan 0.000 0.426 132 D N -0.610 119.855 120.400 0.108 0.000 2.104 132 D HA -0.098 4.541 4.640 -0.001 0.000 0.194 132 D C 1.900 178.157 176.300 -0.071 0.000 0.994 132 D CA 1.420 55.451 54.000 0.052 0.000 0.830 132 D CB -0.945 40.015 40.800 0.266 0.000 0.959 132 D HN 0.415 nan 8.370 nan 0.000 0.452 133 G N 1.215 110.030 108.800 0.025 0.000 2.469 133 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.219 133 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.219 133 G C 1.565 176.570 174.900 0.176 0.000 1.150 133 G CA 0.318 45.449 45.100 0.051 0.000 0.763 133 G HN 0.195 nan 8.290 nan 0.000 0.561 134 L N 0.187 121.472 121.223 0.103 0.000 2.093 134 L HA 0.097 4.437 4.340 -0.001 0.000 0.208 134 L C 3.008 179.800 176.870 -0.131 0.000 1.085 134 L CA 1.093 55.967 54.840 0.056 0.000 0.755 134 L CB -0.946 41.130 42.059 0.029 0.000 0.904 134 L HN 0.259 nan 8.230 nan 0.000 0.435 135 L N -0.885 120.182 121.223 -0.261 0.000 2.079 135 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 135 L C 2.578 178.968 176.870 -0.800 0.000 1.081 135 L CA 1.013 55.490 54.840 -0.604 0.000 0.752 135 L CB -0.486 41.117 42.059 -0.760 0.000 0.896 135 L HN 0.233 nan 8.230 nan 0.000 0.433 136 L N -0.190 120.751 121.223 -0.470 0.000 2.042 136 L HA -0.260 4.080 4.340 -0.001 0.000 0.210 136 L C 2.703 179.619 176.870 0.077 0.000 1.076 136 L CA 1.506 56.282 54.840 -0.108 0.000 0.749 136 L CB -0.476 41.590 42.059 0.011 0.000 0.893 136 L HN 0.234 nan 8.230 nan 0.000 0.432 137 K N -0.318 120.021 120.400 -0.103 0.000 2.097 137 K HA -0.133 4.187 4.320 -0.001 0.000 0.205 137 K C 2.240 178.835 176.600 -0.009 0.000 1.050 137 K CA 1.378 57.568 56.287 -0.162 0.000 0.938 137 K CB 0.048 32.166 32.500 -0.637 0.000 0.718 137 K HN 0.102 nan 8.250 nan 0.000 0.442 138 S N 0.253 115.903 115.700 -0.082 0.000 2.383 138 S HA -0.149 4.320 4.470 -0.001 0.000 0.229 138 S C 1.291 176.001 174.600 0.184 0.000 1.030 138 S CA 1.175 59.374 58.200 -0.003 0.000 1.002 138 S CB -0.303 62.828 63.200 -0.114 0.000 0.829 138 S HN 0.435 nan 8.310 nan 0.000 0.467 139 W N 2.182 123.526 121.300 0.074 0.000 2.374 139 W HA -0.080 4.579 4.660 -0.001 0.000 0.288 139 W C 2.810 179.325 176.519 -0.007 0.000 1.218 139 W CA 1.434 58.807 57.345 0.048 0.000 1.245 139 W CB -1.839 27.701 29.460 0.134 0.000 1.126 139 W HN 0.500 nan 8.180 nan 0.000 0.545 140 T N -3.185 111.527 114.554 0.262 0.000 2.746 140 T HA -0.268 4.082 4.350 -0.001 0.000 0.267 140 T C 1.655 176.363 174.700 0.013 0.000 1.039 140 T CA 1.829 63.993 62.100 0.106 0.000 1.142 140 T CB -0.789 68.220 68.868 0.235 0.000 0.866 140 T HN 0.235 nan 8.240 nan 0.000 0.444 141 H N 0.777 119.866 119.070 0.030 0.000 2.363 141 H HA 0.125 4.681 4.556 -0.001 0.000 0.301 141 H C 2.235 177.601 175.328 0.064 0.000 1.074 141 H CA 1.465 57.529 56.048 0.026 0.000 1.354 141 H CB -0.234 29.570 29.762 0.069 0.000 1.397 141 H HN 0.102 nan 8.280 nan 0.000 0.516 142 M N 0.440 120.168 119.600 0.213 0.000 2.108 142 M HA -0.167 4.312 4.480 -0.001 0.000 0.261 142 M C 2.496 178.885 176.300 0.149 0.000 1.066 142 M CA 1.775 57.209 55.300 0.224 0.000 1.107 142 M CB -1.038 31.754 32.600 0.320 0.000 1.356 142 M HN 0.646 nan 8.290 nan 0.000 0.406 143 M N -0.992 118.662 119.600 0.090 0.000 2.175 143 M HA 0.033 4.513 4.480 -0.001 0.000 0.264 143 M C 2.240 178.480 176.300 -0.099 0.000 1.063 143 M CA 1.887 57.207 55.300 0.034 0.000 1.119 143 M CB -0.892 31.668 32.600 -0.066 0.000 1.377 143 M HN 0.062 nan 8.290 nan 0.000 0.415 144 A N 1.449 124.155 122.820 -0.190 0.000 1.865 144 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 144 A C 2.247 179.722 177.584 -0.182 0.000 1.191 144 A CA 2.107 54.016 52.037 -0.214 0.000 0.623 144 A CB -0.666 18.274 19.000 -0.100 0.000 0.826 144 A HN 0.607 nan 8.150 nan 0.000 0.444 145 M N -1.354 118.118 119.600 -0.214 0.000 2.229 145 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 145 M C 1.972 178.168 176.300 -0.173 0.000 1.063 145 M CA 1.950 57.148 55.300 -0.170 0.000 1.114 145 M CB -1.552 30.943 32.600 -0.174 0.000 1.387 145 M HN 0.764 nan 8.290 nan 0.000 0.420 146 H N -0.001 118.832 119.070 -0.395 0.000 2.284 146 H HA -0.048 4.508 4.556 -0.001 0.000 0.304 146 H C 1.629 176.534 175.328 -0.704 0.000 1.069 146 H CA 1.956 57.587 56.048 -0.695 0.000 1.327 146 H CB -0.198 28.694 29.762 -1.451 0.000 1.387 146 H HN 0.189 nan 8.280 nan 0.000 0.498 147 F N -0.993 118.600 119.950 -0.596 0.000 2.367 147 F HA 0.030 4.557 4.527 -0.001 0.000 0.298 147 F C 0.949 176.551 175.800 -0.330 0.000 1.094 147 F CA 0.430 58.082 58.000 -0.580 0.000 1.409 147 F CB 0.128 38.737 39.000 -0.651 0.000 1.064 147 F HN 0.164 nan 8.300 nan 0.000 0.528 148 F N -0.857 119.076 119.950 -0.028 0.000 2.668 148 F HA 0.458 4.985 4.527 -0.001 0.000 0.301 148 F C 1.826 177.517 175.800 -0.183 0.000 1.106 148 F CA -0.709 57.237 58.000 -0.091 0.000 1.289 148 F CB -1.427 37.573 39.000 -0.000 0.000 1.006 148 F HN -0.092 nan 8.300 nan 0.000 0.535 149 A N 0.118 122.901 122.820 -0.062 0.000 1.927 149 A HA -0.216 4.104 4.320 -0.001 0.000 0.220 149 A C 1.672 179.198 177.584 -0.097 0.000 1.185 149 A CA 2.319 54.296 52.037 -0.099 0.000 0.639 149 A CB -0.491 18.413 19.000 -0.160 0.000 0.820 149 A HN 0.258 nan 8.150 nan 0.000 0.451 150 D N -0.711 119.621 120.400 -0.114 0.000 2.388 150 D HA 0.092 4.732 4.640 -0.001 0.000 0.221 150 D C -0.081 176.112 176.300 -0.178 0.000 1.133 150 D CA 0.008 53.935 54.000 -0.123 0.000 0.831 150 D CB 0.127 40.863 40.800 -0.107 0.000 0.962 150 D HN 0.239 nan 8.370 nan 0.000 0.502 151 R N 1.147 121.480 120.500 -0.279 0.000 2.312 151 R HA 0.244 4.583 4.340 -0.001 0.000 0.311 151 R C -1.589 174.428 176.300 -0.471 0.000 1.004 151 R CA -1.680 54.090 56.100 -0.549 0.000 0.902 151 R CB 0.992 30.554 30.300 -1.231 0.000 1.073 151 R HN -0.142 nan 8.270 nan 0.000 0.457 152 P HA -0.146 nan 4.420 nan 0.000 0.218 152 P C 0.991 178.228 177.300 -0.105 0.000 1.148 152 P CA 1.232 64.234 63.100 -0.164 0.000 0.822 152 P CB -0.090 31.561 31.700 -0.081 0.000 0.784 153 F N -1.243 118.669 119.950 -0.063 0.000 2.748 153 F HA 0.105 4.632 4.527 -0.001 0.000 0.299 153 F C 1.708 177.466 175.800 -0.070 0.000 1.154 153 F CA -0.224 57.730 58.000 -0.077 0.000 1.446 153 F CB -1.731 37.196 39.000 -0.121 0.000 1.112 153 F HN -0.220 nan 8.300 nan 0.000 0.584 154 L N 1.168 122.385 121.223 -0.010 0.000 1.990 154 L HA -0.243 4.097 4.340 -0.001 0.000 0.213 154 L C 2.626 179.575 176.870 0.131 0.000 1.072 154 L CA 2.230 57.123 54.840 0.088 0.000 0.755 154 L CB -1.234 40.820 42.059 -0.009 0.000 0.889 154 L HN 0.421 nan 8.230 nan 0.000 0.432 155 Q N -1.078 118.774 119.800 0.087 0.000 2.050 155 Q HA -0.275 4.065 4.340 -0.001 0.000 0.202 155 Q C 1.993 178.060 176.000 0.111 0.000 0.980 155 Q CA 2.116 57.973 55.803 0.090 0.000 0.840 155 Q CB -0.178 28.597 28.738 0.062 0.000 0.898 155 Q HN 0.698 nan 8.270 nan 0.000 0.424 156 D N -0.396 120.073 120.400 0.115 0.000 2.097 156 D HA -0.194 4.446 4.640 -0.001 0.000 0.195 156 D C 1.838 178.213 176.300 0.124 0.000 0.989 156 D CA 1.027 55.091 54.000 0.108 0.000 0.827 156 D CB -0.170 40.687 40.800 0.094 0.000 0.966 156 D HN 0.250 nan 8.370 nan 0.000 0.456 157 L N 0.258 121.568 121.223 0.146 0.000 1.990 157 L HA -0.134 4.205 4.340 -0.001 0.000 0.213 157 L C 2.272 179.259 176.870 0.194 0.000 1.072 157 L CA 1.664 56.585 54.840 0.134 0.000 0.755 157 L CB -0.674 41.462 42.059 0.130 0.000 0.889 157 L HN 0.199 nan 8.230 nan 0.000 0.432 158 L N -1.293 120.042 121.223 0.186 0.000 2.083 158 L HA -0.284 4.055 4.340 -0.001 0.000 0.209 158 L C 2.836 179.850 176.870 0.239 0.000 1.083 158 L CA 1.444 56.412 54.840 0.213 0.000 0.752 158 L CB -0.703 41.464 42.059 0.179 0.000 0.899 158 L HN 0.598 nan 8.230 nan 0.000 0.433 159 C N 0.616 120.024 119.300 0.181 0.000 2.432 159 C HA -0.174 4.286 4.460 -0.001 0.000 0.277 159 C C 3.014 178.109 174.990 0.174 0.000 1.249 159 C CA 0.990 60.102 59.018 0.155 0.000 1.725 159 C CB -0.709 27.099 27.740 0.114 0.000 2.028 159 C HN 0.430 nan 8.230 nan 0.000 0.477 160 R N -1.052 119.558 120.500 0.183 0.000 2.073 160 R HA -0.043 4.297 4.340 -0.001 0.000 0.229 160 R C 2.144 178.580 176.300 0.226 0.000 1.120 160 R CA 1.660 57.867 56.100 0.177 0.000 0.967 160 R CB -0.734 29.657 30.300 0.151 0.000 0.862 160 R HN 0.606 nan 8.270 nan 0.000 0.436 161 F N 2.533 122.563 119.950 0.132 0.000 2.069 161 F HA -0.248 4.278 4.527 -0.001 0.000 0.298 161 F C 2.034 177.932 175.800 0.162 0.000 1.113 161 F CA 1.642 59.736 58.000 0.156 0.000 1.214 161 F CB -0.236 38.861 39.000 0.162 0.000 0.978 161 F HN -0.010 nan 8.300 nan 0.000 0.474 162 N N 0.190 119.092 118.700 0.337 0.000 2.166 162 N HA -0.160 4.579 4.740 -0.001 0.000 0.186 162 N C 2.007 177.611 175.510 0.158 0.000 1.019 162 N CA 1.223 54.408 53.050 0.224 0.000 0.856 162 N CB -0.317 38.297 38.487 0.211 0.000 0.993 162 N HN 0.384 nan 8.380 nan 0.000 0.426 163 R N 0.551 121.141 120.500 0.149 0.000 2.096 163 R HA -0.025 4.314 4.340 -0.001 0.000 0.235 163 R C 2.211 178.578 176.300 0.112 0.000 1.127 163 R CA 0.765 56.956 56.100 0.151 0.000 0.968 163 R CB -0.272 30.096 30.300 0.115 0.000 0.861 163 R HN 0.052 nan 8.270 nan 0.000 0.440 164 V N 1.258 121.215 119.914 0.072 0.000 2.427 164 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 164 V C 1.902 178.040 176.094 0.073 0.000 1.051 164 V CA 2.014 64.348 62.300 0.056 0.000 1.048 164 V CB -0.493 31.384 31.823 0.090 0.000 0.666 164 V HN 0.299 nan 8.190 nan 0.000 0.456 165 D N -0.575 119.852 120.400 0.045 0.000 2.092 165 D HA -0.274 4.365 4.640 -0.001 0.000 0.193 165 D C 2.044 178.446 176.300 0.171 0.000 0.994 165 D CA 1.710 55.784 54.000 0.123 0.000 0.828 165 D CB -0.273 40.570 40.800 0.072 0.000 0.963 165 D HN 0.476 nan 8.370 nan 0.000 0.450 166 Y N 0.983 121.298 120.300 0.026 0.000 2.181 166 Y HA -0.165 4.385 4.550 -0.001 0.000 0.288 166 Y C 2.352 178.239 175.900 -0.022 0.000 1.146 166 Y CA 2.041 60.143 58.100 0.003 0.000 1.164 166 Y CB -0.851 37.611 38.460 0.002 0.000 0.982 166 Y HN -0.028 nan 8.280 nan 0.000 0.515 167 T N -0.434 114.054 114.554 -0.109 0.000 2.699 167 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 167 T C 1.740 176.408 174.700 -0.054 0.000 1.036 167 T CA 2.261 64.276 62.100 -0.142 0.000 1.147 167 T CB -0.571 68.193 68.868 -0.173 0.000 0.862 167 T HN 0.439 nan 8.240 nan 0.000 0.446 168 T N 1.641 116.172 114.554 -0.038 0.000 2.857 168 T HA 0.110 4.460 4.350 -0.001 0.000 0.266 168 T C 2.420 176.998 174.700 -0.203 0.000 1.048 168 T CA 0.929 62.961 62.100 -0.114 0.000 1.139 168 T CB -0.456 68.223 68.868 -0.314 0.000 0.874 168 T HN 0.419 nan 8.240 nan 0.000 0.455 169 A N 1.217 123.942 122.820 -0.159 0.000 1.902 169 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 169 A C 2.562 180.006 177.584 -0.234 0.000 1.181 169 A CA 1.311 53.267 52.037 -0.135 0.000 0.623 169 A CB -1.062 17.936 19.000 -0.003 0.000 0.818 169 A HN 0.345 nan 8.150 nan 0.000 0.443 170 V N -0.044 119.650 119.914 -0.366 0.000 2.343 170 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 170 V C 2.812 178.501 176.094 -0.675 0.000 1.051 170 V CA 2.009 63.955 62.300 -0.590 0.000 1.036 170 V CB -1.479 29.901 31.823 -0.739 0.000 0.654 170 V HN 0.616 nan 8.190 nan 0.000 0.451 171 G N -1.060 107.560 108.800 -0.300 0.000 2.422 171 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.218 171 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.218 171 G C 1.521 176.395 174.900 -0.042 0.000 1.146 171 G CA 1.035 46.120 45.100 -0.026 0.000 0.769 171 G HN 0.507 nan 8.290 nan 0.000 0.547 172 Q N -0.218 119.517 119.800 -0.109 0.000 2.124 172 Q HA -0.039 4.301 4.340 -0.001 0.000 0.202 172 Q C 2.335 178.296 176.000 -0.065 0.000 0.977 172 Q CA 1.216 56.974 55.803 -0.075 0.000 0.850 172 Q CB -0.424 28.246 28.738 -0.112 0.000 0.901 172 Q HN 0.410 nan 8.270 nan 0.000 0.429 173 L N -0.519 120.610 121.223 -0.157 0.000 1.990 173 L HA -0.220 4.119 4.340 -0.001 0.000 0.213 173 L C 1.745 178.610 176.870 -0.009 0.000 1.072 173 L CA 1.929 56.689 54.840 -0.132 0.000 0.755 173 L CB -0.950 40.959 42.059 -0.249 0.000 0.889 173 L HN 0.294 nan 8.230 nan 0.000 0.432 174 Y N 0.242 120.534 120.300 -0.013 0.000 2.193 174 Y HA -0.282 4.268 4.550 -0.001 0.000 0.285 174 Y C 2.706 178.628 175.900 0.038 0.000 1.166 174 Y CA 1.388 59.493 58.100 0.007 0.000 1.181 174 Y CB -1.261 37.195 38.460 -0.007 0.000 0.976 174 Y HN 0.486 nan 8.280 nan 0.000 0.520 175 D N -0.299 120.213 120.400 0.188 0.000 2.097 175 D HA -0.126 4.513 4.640 -0.001 0.000 0.197 175 D C 2.112 178.497 176.300 0.141 0.000 0.984 175 D CA 1.229 55.312 54.000 0.138 0.000 0.826 175 D CB 0.018 40.880 40.800 0.103 0.000 0.973 175 D HN 0.221 nan 8.370 nan 0.000 0.460 176 V N 0.655 120.649 119.914 0.133 0.000 3.041 176 V HA -0.094 4.026 4.120 -0.001 0.000 0.260 176 V C 2.063 178.316 176.094 0.264 0.000 1.105 176 V CA 1.986 64.381 62.300 0.158 0.000 1.125 176 V CB 0.072 31.953 31.823 0.097 0.000 0.730 176 V HN 0.446 nan 8.190 nan 0.000 0.479 177 T N -3.633 111.077 114.554 0.261 0.000 3.092 177 T HA 0.039 4.389 4.350 -0.001 0.000 0.258 177 T C 1.583 176.492 174.700 0.349 0.000 1.031 177 T CA 0.599 62.927 62.100 0.381 0.000 0.925 177 T CB 0.185 69.197 68.868 0.240 0.000 1.036 177 T HN 0.487 nan 8.240 nan 0.000 0.544 178 S N 2.003 117.849 115.700 0.243 0.000 2.522 178 S HA 0.032 4.502 4.470 -0.001 0.000 0.227 178 S C 1.825 176.569 174.600 0.241 0.000 0.986 178 S CA -0.005 58.301 58.200 0.177 0.000 0.929 178 S CB -0.505 62.739 63.200 0.074 0.000 0.769 178 S HN 0.614 nan 8.310 nan 0.000 0.529 179 M N -0.822 118.878 119.600 0.167 0.000 2.356 179 M HA 0.482 4.962 4.480 -0.001 0.000 0.262 179 M C -1.152 174.931 176.300 -0.361 0.000 1.097 179 M CA -0.245 55.088 55.300 0.056 0.000 0.991 179 M CB -1.133 31.441 32.600 -0.044 0.000 1.450 179 M HN 0.091 nan 8.290 nan 0.000 0.495 180 F N 2.126 122.155 119.950 0.131 0.000 2.444 180 F HA 0.392 4.919 4.527 -0.001 0.000 0.342 180 F C 0.351 176.189 175.800 0.063 0.000 1.121 180 F CA -1.271 56.768 58.000 0.065 0.000 0.997 180 F CB 0.716 39.749 39.000 0.055 0.000 1.130 180 F HN 0.036 nan 8.300 nan 0.000 0.454 181 D N 1.872 122.379 120.400 0.178 0.000 2.536 181 D HA -0.091 4.549 4.640 -0.001 0.000 0.260 181 D C 1.335 177.715 176.300 0.133 0.000 1.270 181 D CA 0.451 54.521 54.000 0.117 0.000 0.934 181 D CB 0.815 41.655 40.800 0.066 0.000 1.129 181 D HN 0.571 nan 8.370 nan 0.000 0.533 182 S N 3.378 119.152 115.700 0.122 0.000 2.447 182 S HA -0.158 4.311 4.470 -0.001 0.000 0.233 182 S C 1.444 176.087 174.600 0.072 0.000 1.006 182 S CA 0.325 58.588 58.200 0.105 0.000 0.957 182 S CB -0.073 63.186 63.200 0.098 0.000 0.773 182 S HN 0.494 nan 8.310 nan 0.000 0.507 183 N N 1.926 120.663 118.700 0.062 0.000 2.309 183 N HA 0.011 4.751 4.740 -0.001 0.000 0.182 183 N C 1.163 176.697 175.510 0.039 0.000 1.018 183 N CA 0.977 54.053 53.050 0.044 0.000 0.876 183 N CB -0.138 38.372 38.487 0.038 0.000 0.972 183 N HN 0.599 nan 8.380 nan 0.000 0.434 184 K N 0.457 120.885 120.400 0.047 0.000 2.372 184 K HA 0.216 4.535 4.320 -0.001 0.000 0.200 184 K C 0.122 176.739 176.600 0.028 0.000 1.022 184 K CA -0.235 56.075 56.287 0.037 0.000 1.125 184 K CB 0.508 33.035 32.500 0.044 0.000 0.855 184 K HN 0.063 nan 8.250 nan 0.000 0.524 185 L N 2.840 124.083 121.223 0.033 0.000 2.597 185 L HA -0.029 4.311 4.340 -0.001 0.000 0.271 185 L C -0.473 176.391 176.870 -0.009 0.000 1.157 185 L CA 0.513 55.356 54.840 0.006 0.000 0.928 185 L CB 0.101 42.175 42.059 0.025 0.000 1.216 185 L HN 0.089 nan 8.230 nan 0.000 0.481 186 D N 5.363 125.744 120.400 -0.032 0.000 2.688 186 D HA 0.206 4.846 4.640 -0.001 0.000 0.210 186 D C -2.022 174.253 176.300 -0.042 0.000 1.333 186 D CA -1.217 52.767 54.000 -0.026 0.000 0.920 186 D CB 2.081 42.872 40.800 -0.014 0.000 1.554 186 D HN 0.046 nan 8.370 nan 0.000 0.579 187 P HA -0.075 nan 4.420 nan 0.000 0.216 187 P C 0.634 177.911 177.300 -0.038 0.000 1.150 187 P CA 0.908 63.981 63.100 -0.045 0.000 0.843 187 P CB 0.408 32.089 31.700 -0.031 0.000 0.787 188 D N -1.300 119.084 120.400 -0.027 0.000 2.312 188 D HA -0.004 4.636 4.640 -0.001 0.000 0.211 188 D C 0.349 176.637 176.300 -0.021 0.000 0.964 188 D CA 0.756 54.744 54.000 -0.020 0.000 0.877 188 D CB 0.138 40.930 40.800 -0.013 0.000 0.924 188 D HN 0.081 nan 8.370 nan 0.000 0.515 189 V N 0.503 120.402 119.914 -0.025 0.000 2.531 189 V HA 0.202 4.321 4.120 -0.001 0.000 0.301 189 V C 0.251 176.327 176.094 -0.031 0.000 1.034 189 V CA -0.973 61.314 62.300 -0.021 0.000 0.865 189 V CB 1.972 33.788 31.823 -0.011 0.000 0.995 189 V HN -0.109 nan 8.190 nan 0.000 0.424 190 S N 3.362 119.048 115.700 -0.024 0.000 2.579 190 S HA 0.460 4.929 4.470 -0.001 0.000 0.275 190 S C -0.443 174.153 174.600 -0.007 0.000 1.345 190 S CA 0.085 58.269 58.200 -0.026 0.000 1.031 190 S CB 0.969 64.162 63.200 -0.010 0.000 0.892 190 S HN 0.756 nan 8.310 nan 0.000 0.529 191 Q N 2.023 121.825 119.800 0.004 0.000 2.320 191 Q HA 0.556 4.896 4.340 -0.001 0.000 0.272 191 Q C -2.605 173.496 176.000 0.168 0.000 1.023 191 Q CA -1.272 54.570 55.803 0.066 0.000 0.855 191 Q CB 1.896 30.673 28.738 0.065 0.000 1.367 191 Q HN 0.546 nan 8.270 nan 0.000 0.406 192 P HA 0.351 nan 4.420 nan 0.000 0.281 192 P C -0.707 176.695 177.300 0.170 0.000 1.281 192 P CA -0.474 62.727 63.100 0.169 0.000 0.811 192 P CB 0.513 32.251 31.700 0.063 0.000 1.154 193 T N 0.663 115.215 114.554 -0.003 0.000 2.933 193 T HA 0.021 4.370 4.350 -0.001 0.000 0.306 193 T C 0.704 175.248 174.700 -0.259 0.000 1.045 193 T CA 0.551 62.481 62.100 -0.283 0.000 1.143 193 T CB -0.387 68.327 68.868 -0.257 0.000 1.003 193 T HN 0.521 nan 8.240 nan 0.000 0.540 194 T N 2.306 116.642 114.554 -0.363 0.000 2.923 194 T HA 0.007 4.356 4.350 -0.001 0.000 0.304 194 T C 1.545 175.855 174.700 -0.649 0.000 1.044 194 T CA 0.657 62.498 62.100 -0.432 0.000 1.141 194 T CB 0.156 68.740 68.868 -0.474 0.000 1.023 194 T HN 0.834 nan 8.240 nan 0.000 0.533 195 T N 0.283 114.588 114.554 -0.414 0.000 2.990 195 T HA 0.101 4.450 4.350 -0.001 0.000 0.249 195 T C 1.232 175.825 174.700 -0.178 0.000 1.039 195 T CA 0.535 62.461 62.100 -0.290 0.000 1.036 195 T CB 0.090 68.900 68.868 -0.097 0.000 0.994 195 T HN 0.711 nan 8.240 nan 0.000 0.489 196 D N 0.750 121.038 120.400 -0.187 0.000 2.366 196 D HA 0.048 4.688 4.640 -0.001 0.000 0.205 196 D C 0.609 176.981 176.300 0.120 0.000 1.022 196 D CA -0.442 53.564 54.000 0.010 0.000 0.868 196 D CB -0.876 39.928 40.800 0.008 0.000 0.953 196 D HN 0.366 nan 8.370 nan 0.000 0.514 197 F N -0.368 119.520 119.950 -0.102 0.000 3.100 197 F HA -0.280 4.246 4.527 -0.001 0.000 0.283 197 F C 1.771 177.569 175.800 -0.002 0.000 0.900 197 F CA 0.225 58.106 58.000 -0.198 0.000 1.010 197 F CB -1.938 36.823 39.000 -0.398 0.000 1.029 197 F HN 0.188 nan 8.300 nan 0.000 0.637 198 A N -0.352 122.544 122.820 0.126 0.000 2.070 198 A HA -0.156 4.163 4.320 -0.001 0.000 0.220 198 A C 1.970 179.650 177.584 0.160 0.000 1.159 198 A CA 1.832 53.941 52.037 0.119 0.000 0.656 198 A CB -0.306 18.736 19.000 0.069 0.000 0.800 198 A HN 0.655 nan 8.150 nan 0.000 0.453 199 E N -1.571 118.769 120.200 0.233 0.000 2.474 199 E HA 0.103 4.452 4.350 -0.001 0.000 0.195 199 E C -0.697 176.102 176.600 0.333 0.000 1.039 199 E CA -0.419 56.125 56.400 0.240 0.000 0.881 199 E CB 0.114 29.935 29.700 0.203 0.000 0.970 199 E HN 0.548 nan 8.360 nan 0.000 0.486 200 F N 2.441 122.463 119.950 0.121 0.000 2.666 200 F HA 0.049 4.576 4.527 -0.001 0.000 0.362 200 F C 0.912 176.729 175.800 0.028 0.000 1.190 200 F CA -0.071 57.994 58.000 0.109 0.000 1.328 200 F CB -0.560 38.530 39.000 0.150 0.000 1.682 200 F HN -0.186 nan 8.300 nan 0.000 0.623 201 T N -2.699 111.927 114.554 0.120 0.000 2.950 201 T HA 0.351 4.701 4.350 -0.001 0.000 0.288 201 T C 0.918 175.645 174.700 0.045 0.000 1.035 201 T CA -0.822 61.312 62.100 0.057 0.000 1.028 201 T CB 1.742 70.643 68.868 0.055 0.000 1.109 201 T HN 0.183 nan 8.240 nan 0.000 0.514 202 L N 1.461 122.699 121.223 0.026 0.000 2.141 202 L HA 0.058 4.397 4.340 -0.001 0.000 0.209 202 L C 2.762 179.709 176.870 0.129 0.000 1.094 202 L CA 2.080 56.965 54.840 0.075 0.000 0.763 202 L CB -0.942 41.140 42.059 0.039 0.000 0.908 202 L HN 0.921 nan 8.230 nan 0.000 0.437 203 S N -0.503 115.242 115.700 0.076 0.000 2.368 203 S HA -0.186 4.283 4.470 -0.001 0.000 0.225 203 S C 1.888 176.513 174.600 0.042 0.000 1.030 203 S CA 1.644 59.880 58.200 0.060 0.000 0.999 203 S CB -0.353 62.869 63.200 0.037 0.000 0.844 203 S HN 0.614 nan 8.310 nan 0.000 0.459 204 N N -0.014 118.708 118.700 0.036 0.000 2.216 204 N HA -0.041 4.699 4.740 -0.001 0.000 0.183 204 N C 1.456 176.975 175.510 0.015 0.000 1.017 204 N CA 1.266 54.312 53.050 -0.006 0.000 0.861 204 N CB -0.811 37.675 38.487 -0.002 0.000 0.986 204 N HN 0.594 nan 8.380 nan 0.000 0.428 205 Y N 2.211 122.490 120.300 -0.036 0.000 2.097 205 Y HA -0.213 4.337 4.550 -0.001 0.000 0.282 205 Y C 2.042 177.974 175.900 0.053 0.000 1.152 205 Y CA 1.841 59.938 58.100 -0.005 0.000 1.136 205 Y CB -0.179 38.281 38.460 -0.001 0.000 0.975 205 Y HN -0.061 nan 8.280 nan 0.000 0.498 206 K N -0.236 120.179 120.400 0.026 0.000 2.103 206 K HA -0.235 4.084 4.320 -0.001 0.000 0.207 206 K C 2.381 178.952 176.600 -0.048 0.000 1.048 206 K CA 1.662 57.936 56.287 -0.023 0.000 0.930 206 K CB -0.241 32.318 32.500 0.097 0.000 0.716 206 K HN 0.301 nan 8.250 nan 0.000 0.444 207 R N 1.167 121.660 120.500 -0.012 0.000 2.073 207 R HA -0.053 4.287 4.340 -0.001 0.000 0.229 207 R C 2.184 178.589 176.300 0.175 0.000 1.120 207 R CA 1.056 57.203 56.100 0.078 0.000 0.967 207 R CB -0.167 30.092 30.300 -0.068 0.000 0.862 207 R HN 0.123 nan 8.270 nan 0.000 0.436 208 I N 0.325 120.910 120.570 0.026 0.000 2.151 208 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 208 I C 2.281 178.458 176.117 0.100 0.000 1.080 208 I CA 1.311 62.685 61.300 0.123 0.000 1.339 208 I CB -0.196 37.798 38.000 -0.009 0.000 1.039 208 I HN 0.079 nan 8.210 nan 0.000 0.409 209 V N 0.706 120.551 119.914 -0.116 0.000 2.379 209 V HA -0.256 3.863 4.120 -0.001 0.000 0.245 209 V C 2.504 178.596 176.094 -0.003 0.000 1.044 209 V CA 1.788 64.012 62.300 -0.125 0.000 1.036 209 V CB -0.509 31.059 31.823 -0.424 0.000 0.664 209 V HN 0.398 nan 8.190 nan 0.000 0.453 210 K N -0.676 119.711 120.400 -0.022 0.000 2.020 210 K HA -0.245 4.075 4.320 -0.001 0.000 0.212 210 K C 2.125 178.714 176.600 -0.019 0.000 1.050 210 K CA 2.327 58.556 56.287 -0.097 0.000 0.929 210 K CB -0.361 32.023 32.500 -0.194 0.000 0.714 210 K HN 0.497 nan 8.250 nan 0.000 0.443 211 Y N 0.795 121.239 120.300 0.240 0.000 2.206 211 Y HA -0.093 4.456 4.550 -0.001 0.000 0.292 211 Y C 2.285 178.293 175.900 0.180 0.000 1.123 211 Y CA 1.697 59.953 58.100 0.259 0.000 1.142 211 Y CB -0.126 38.467 38.460 0.220 0.000 1.006 211 Y HN 0.176 nan 8.280 nan 0.000 0.518 212 K N -1.353 119.208 120.400 0.268 0.000 2.288 212 K HA -0.009 4.311 4.320 -0.001 0.000 0.201 212 K C 0.985 177.743 176.600 0.263 0.000 1.048 212 K CA 1.895 58.283 56.287 0.170 0.000 0.956 212 K CB -0.137 32.433 32.500 0.117 0.000 0.746 212 K HN 0.117 nan 8.250 nan 0.000 0.461 213 T N -0.594 114.115 114.554 0.259 0.000 3.250 213 T HA 0.261 4.610 4.350 -0.001 0.000 0.265 213 T C 1.789 176.548 174.700 0.098 0.000 0.973 213 T CA 0.219 62.459 62.100 0.234 0.000 1.040 213 T CB 0.174 69.177 68.868 0.224 0.000 1.167 213 T HN 0.273 nan 8.240 nan 0.000 0.471 214 A N 0.593 123.456 122.820 0.073 0.000 1.933 214 A HA -0.019 4.301 4.320 -0.001 0.000 0.218 214 A C 1.909 179.455 177.584 -0.063 0.000 1.175 214 A CA 1.481 53.497 52.037 -0.034 0.000 0.628 214 A CB -0.923 17.962 19.000 -0.192 0.000 0.814 214 A HN 0.514 nan 8.150 nan 0.000 0.444 215 Y N -0.954 119.382 120.300 0.060 0.000 2.133 215 Y HA -0.241 4.309 4.550 -0.001 0.000 0.287 215 Y C 2.456 178.435 175.900 0.132 0.000 1.134 215 Y CA 2.106 60.256 58.100 0.083 0.000 1.133 215 Y CB -0.855 37.652 38.460 0.078 0.000 0.987 215 Y HN 0.640 nan 8.280 nan 0.000 0.502 216 Y N -1.983 118.444 120.300 0.212 0.000 2.475 216 Y HA 0.058 4.608 4.550 -0.001 0.000 0.289 216 Y C 1.870 177.814 175.900 0.073 0.000 1.121 216 Y CA 1.204 59.395 58.100 0.153 0.000 1.257 216 Y CB -0.841 37.755 38.460 0.227 0.000 1.026 216 Y HN -0.113 nan 8.280 nan 0.000 0.555 217 T N -0.658 113.543 114.554 -0.589 0.000 3.031 217 T HA 0.046 4.395 4.350 -0.001 0.000 0.254 217 T C 0.718 175.015 174.700 -0.672 0.000 1.060 217 T CA 1.358 62.995 62.100 -0.773 0.000 1.135 217 T CB -0.199 68.151 68.868 -0.863 0.000 0.896 217 T HN 0.420 nan 8.240 nan 0.000 0.472 218 Y N -0.453 119.700 120.300 -0.245 0.000 2.576 218 Y HA 0.396 4.945 4.550 -0.001 0.000 0.282 218 Y C 1.774 177.633 175.900 -0.069 0.000 1.139 218 Y CA -0.412 57.595 58.100 -0.155 0.000 1.265 218 Y CB -0.399 37.974 38.460 -0.144 0.000 1.376 218 Y HN -0.020 nan 8.280 nan 0.000 0.511 219 L N 0.020 121.296 121.223 0.088 0.000 2.027 219 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 219 L C 2.149 179.090 176.870 0.118 0.000 1.074 219 L CA 1.528 56.426 54.840 0.096 0.000 0.745 219 L CB -0.959 41.154 42.059 0.089 0.000 0.898 219 L HN 0.283 nan 8.230 nan 0.000 0.433 220 L N 0.107 121.406 121.223 0.126 0.000 2.017 220 L HA -0.057 4.283 4.340 -0.001 0.000 0.208 220 L C -0.580 176.354 176.870 0.108 0.000 1.073 220 L CA 1.909 56.833 54.840 0.140 0.000 0.745 220 L CB -1.783 40.378 42.059 0.169 0.000 0.894 220 L HN 0.170 nan 8.230 nan 0.000 0.432 221 P HA -0.153 nan 4.420 nan 0.000 0.216 221 P C 2.097 179.423 177.300 0.043 0.000 1.150 221 P CA 1.501 64.614 63.100 0.022 0.000 0.837 221 P CB -0.021 31.637 31.700 -0.072 0.000 0.786 222 L N -1.347 119.924 121.223 0.080 0.000 2.005 222 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 222 L C 2.444 179.400 176.870 0.144 0.000 1.072 222 L CA 1.336 56.288 54.840 0.187 0.000 0.744 222 L CB -1.255 40.971 42.059 0.280 0.000 0.895 222 L HN -0.149 nan 8.230 nan 0.000 0.433 223 V N -0.141 119.830 119.914 0.094 0.000 2.287 223 V HA -0.345 3.775 4.120 -0.001 0.000 0.248 223 V C 2.536 178.624 176.094 -0.010 0.000 1.053 223 V CA 2.052 64.371 62.300 0.031 0.000 1.027 223 V CB -0.377 31.485 31.823 0.065 0.000 0.646 223 V HN 0.385 nan 8.190 nan 0.000 0.447 224 M N -0.086 119.527 119.600 0.022 0.000 2.117 224 M HA -0.119 4.361 4.480 -0.001 0.000 0.262 224 M C 2.248 178.491 176.300 -0.095 0.000 1.065 224 M CA 2.095 57.377 55.300 -0.029 0.000 1.114 224 M CB -0.889 31.744 32.600 0.056 0.000 1.361 224 M HN 0.511 nan 8.290 nan 0.000 0.408 225 G N 0.353 109.131 108.800 -0.037 0.000 2.418 225 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 225 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 225 G C 1.482 176.338 174.900 -0.073 0.000 1.158 225 G CA 0.611 45.688 45.100 -0.038 0.000 0.771 225 G HN 0.346 nan 8.290 nan 0.000 0.545 226 L N -0.080 121.094 121.223 -0.082 0.000 2.056 226 L HA 0.021 4.361 4.340 -0.001 0.000 0.207 226 L C 2.847 179.605 176.870 -0.186 0.000 1.078 226 L CA 0.549 55.300 54.840 -0.149 0.000 0.749 226 L CB -0.352 41.572 42.059 -0.225 0.000 0.901 226 L HN 0.185 nan 8.230 nan 0.000 0.433 227 I N -0.067 120.367 120.570 -0.227 0.000 2.127 227 I HA -0.276 3.894 4.170 -0.001 0.000 0.241 227 I C 2.476 178.251 176.117 -0.572 0.000 1.075 227 I CA 1.756 62.843 61.300 -0.355 0.000 1.334 227 I CB -0.291 37.477 38.000 -0.387 0.000 1.040 227 I HN 0.201 nan 8.210 nan 0.000 0.405 228 V N -1.675 117.879 119.914 -0.600 0.000 2.970 228 V HA -0.087 4.033 4.120 -0.001 0.000 0.260 228 V C 2.011 177.976 176.094 -0.216 0.000 1.100 228 V CA 1.696 63.634 62.300 -0.604 0.000 1.122 228 V CB -0.659 30.927 31.823 -0.395 0.000 0.721 228 V HN 0.516 nan 8.190 nan 0.000 0.483 229 S N -0.330 115.276 115.700 -0.157 0.000 2.577 229 S HA 0.191 4.661 4.470 -0.001 0.000 0.219 229 S C 0.604 175.171 174.600 -0.054 0.000 0.962 229 S CA 0.280 58.440 58.200 -0.066 0.000 0.921 229 S CB -0.706 62.467 63.200 -0.046 0.000 0.789 229 S HN 0.789 nan 8.310 nan 0.000 0.497 230 E N 0.052 120.204 120.200 -0.079 0.000 2.297 230 E HA -0.229 4.120 4.350 -0.001 0.000 0.228 230 E C 0.342 176.910 176.600 -0.053 0.000 1.213 230 E CA 0.475 56.851 56.400 -0.040 0.000 0.712 230 E CB -1.927 27.786 29.700 0.021 0.000 1.202 230 E HN 0.756 nan 8.360 nan 0.000 0.376 231 A N -0.059 122.707 122.820 -0.090 0.000 2.624 231 A HA 0.298 4.618 4.320 -0.001 0.000 0.287 231 A C 1.283 178.778 177.584 -0.148 0.000 1.087 231 A CA -0.072 51.905 52.037 -0.101 0.000 0.964 231 A CB 0.322 19.264 19.000 -0.096 0.000 1.231 231 A HN 0.185 nan 8.150 nan 0.000 0.551 232 L N 1.216 122.357 121.223 -0.138 0.000 2.042 232 L HA -0.007 4.333 4.340 -0.001 0.000 0.210 232 L C -0.611 176.177 176.870 -0.136 0.000 1.076 232 L CA 2.818 57.565 54.840 -0.154 0.000 0.749 232 L CB -0.604 41.389 42.059 -0.109 0.000 0.893 232 L HN 0.291 nan 8.230 nan 0.000 0.432 233 P HA -0.041 nan 4.420 nan 0.000 0.245 233 P C 1.017 178.269 177.300 -0.081 0.000 1.212 233 P CA 1.170 64.226 63.100 -0.072 0.000 0.774 233 P CB -0.504 31.170 31.700 -0.044 0.000 0.999 234 T N -3.342 111.149 114.554 -0.105 0.000 3.215 234 T HA 0.151 4.501 4.350 -0.001 0.000 0.254 234 T C 0.537 175.173 174.700 -0.108 0.000 1.149 234 T CA -0.109 61.935 62.100 -0.092 0.000 1.042 234 T CB -0.476 68.341 68.868 -0.086 0.000 0.966 234 T HN -0.139 nan 8.240 nan 0.000 0.534 235 V N 1.399 121.226 119.914 -0.145 0.000 2.789 235 V HA 0.351 4.470 4.120 -0.001 0.000 0.311 235 V C -0.958 175.084 176.094 -0.086 0.000 1.073 235 V CA -1.234 60.968 62.300 -0.163 0.000 0.921 235 V CB 2.018 33.572 31.823 -0.447 0.000 1.009 235 V HN 0.311 nan 8.190 nan 0.000 0.426 236 D N 4.237 124.621 120.400 -0.026 0.000 2.342 236 D HA 0.056 4.695 4.640 -0.001 0.000 0.260 236 D C 0.681 176.983 176.300 0.004 0.000 1.278 236 D CA -0.155 53.842 54.000 -0.006 0.000 0.910 236 D CB 1.402 42.208 40.800 0.010 0.000 1.079 236 D HN 0.478 nan 8.370 nan 0.000 0.496 237 M N 3.853 123.449 119.600 -0.007 0.000 2.349 237 M HA 0.110 4.589 4.480 -0.001 0.000 0.266 237 M C 1.810 178.123 176.300 0.021 0.000 1.076 237 M CA 1.152 56.455 55.300 0.005 0.000 1.126 237 M CB -0.474 32.126 32.600 -0.001 0.000 1.392 237 M HN 0.406 nan 8.290 nan 0.000 0.440 238 G N -0.774 108.034 108.800 0.014 0.000 2.421 238 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.216 238 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.216 238 G C 1.416 176.317 174.900 0.002 0.000 1.171 238 G CA 1.174 46.280 45.100 0.010 0.000 0.775 238 G HN 0.380 nan 8.290 nan 0.000 0.543 239 V N 0.849 120.766 119.914 0.005 0.000 2.323 239 V HA -0.151 3.968 4.120 -0.001 0.000 0.244 239 V C 3.171 179.271 176.094 0.010 0.000 1.041 239 V CA 2.311 64.609 62.300 -0.003 0.000 1.025 239 V CB -0.876 30.946 31.823 -0.001 0.000 0.656 239 V HN 0.391 nan 8.190 nan 0.000 0.451 240 T N -0.230 114.363 114.554 0.065 0.000 2.635 240 T HA -0.253 4.096 4.350 -0.001 0.000 0.267 240 T C 1.796 176.525 174.700 0.047 0.000 1.040 240 T CA 1.930 64.101 62.100 0.119 0.000 1.156 240 T CB -0.293 68.702 68.868 0.213 0.000 0.863 240 T HN 0.579 nan 8.240 nan 0.000 0.430 241 E N 0.744 120.959 120.200 0.024 0.000 2.077 241 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 241 E C 2.415 178.972 176.600 -0.071 0.000 0.989 241 E CA 0.976 57.365 56.400 -0.018 0.000 0.800 241 E CB -0.145 29.561 29.700 0.009 0.000 0.746 241 E HN 0.586 nan 8.360 nan 0.000 0.452 242 E N 0.725 120.891 120.200 -0.058 0.000 2.049 242 E HA -0.222 4.128 4.350 -0.001 0.000 0.198 242 E C 2.267 178.793 176.600 -0.124 0.000 1.007 242 E CA 0.913 57.262 56.400 -0.086 0.000 0.809 242 E CB -0.122 29.534 29.700 -0.074 0.000 0.749 242 E HN 0.203 nan 8.360 nan 0.000 0.450 243 L N 0.319 121.471 121.223 -0.117 0.000 2.012 243 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 243 L C 2.560 179.333 176.870 -0.162 0.000 1.073 243 L CA 1.306 56.049 54.840 -0.161 0.000 0.748 243 L CB -0.417 41.562 42.059 -0.134 0.000 0.891 243 L HN 0.167 nan 8.230 nan 0.000 0.431 244 A N -0.766 121.992 122.820 -0.103 0.000 1.908 244 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 244 A C 2.254 179.718 177.584 -0.200 0.000 1.181 244 A CA 1.793 53.775 52.037 -0.092 0.000 0.627 244 A CB -0.392 18.581 19.000 -0.045 0.000 0.818 244 A HN 0.317 nan 8.150 nan 0.000 0.445 245 M N -1.306 118.161 119.600 -0.223 0.000 2.132 245 M HA -0.050 4.429 4.480 -0.001 0.000 0.263 245 M C 2.128 178.324 176.300 -0.173 0.000 1.065 245 M CA 1.103 56.259 55.300 -0.239 0.000 1.122 245 M CB -1.447 31.020 32.600 -0.223 0.000 1.365 245 M HN 0.407 nan 8.290 nan 0.000 0.411 246 L N 0.518 121.638 121.223 -0.172 0.000 1.994 246 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 246 L C 2.361 179.141 176.870 -0.150 0.000 1.071 246 L CA 1.880 56.624 54.840 -0.159 0.000 0.745 246 L CB -0.766 41.155 42.059 -0.231 0.000 0.892 246 L HN 0.252 nan 8.230 nan 0.000 0.431 247 M N -1.399 118.043 119.600 -0.263 0.000 2.086 247 M HA -0.142 4.337 4.480 -0.001 0.000 0.261 247 M C 2.197 178.199 176.300 -0.496 0.000 1.067 247 M CA 1.804 56.920 55.300 -0.307 0.000 1.116 247 M CB -1.267 31.027 32.600 -0.511 0.000 1.348 247 M HN 0.437 nan 8.290 nan 0.000 0.407 248 G N 0.174 108.601 108.800 -0.622 0.000 2.446 248 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 248 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 248 G C 1.359 176.276 174.900 0.028 0.000 1.168 248 G CA 1.256 46.195 45.100 -0.267 0.000 0.771 248 G HN 0.593 nan 8.290 nan 0.000 0.551 249 E N -0.707 119.511 120.200 0.031 0.000 2.077 249 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 249 E C 2.104 178.869 176.600 0.276 0.000 0.989 249 E CA 1.081 57.565 56.400 0.140 0.000 0.800 249 E CB -0.325 29.467 29.700 0.154 0.000 0.746 249 E HN 0.553 nan 8.360 nan 0.000 0.452 250 Y N 0.163 120.569 120.300 0.177 0.000 2.200 250 Y HA -0.218 4.332 4.550 -0.001 0.000 0.290 250 Y C 1.953 177.992 175.900 0.232 0.000 1.137 250 Y CA 1.814 60.067 58.100 0.255 0.000 1.163 250 Y CB -0.659 37.915 38.460 0.189 0.000 0.988 250 Y HN 0.141 nan 8.280 nan 0.000 0.518 251 F N 1.264 121.219 119.950 0.009 0.000 2.087 251 F HA -0.338 4.189 4.527 -0.001 0.000 0.299 251 F C 2.510 178.298 175.800 -0.019 0.000 1.100 251 F CA 2.529 60.515 58.000 -0.023 0.000 1.226 251 F CB -0.611 38.501 39.000 0.188 0.000 0.983 251 F HN 0.205 nan 8.300 nan 0.000 0.479 252 Q N 0.232 120.137 119.800 0.175 0.000 2.119 252 Q HA -0.105 4.234 4.340 -0.001 0.000 0.201 252 Q C 2.140 178.178 176.000 0.064 0.000 0.972 252 Q CA 1.897 57.766 55.803 0.109 0.000 0.847 252 Q CB -0.682 28.163 28.738 0.178 0.000 0.903 252 Q HN 0.355 nan 8.270 nan 0.000 0.433 253 V N 0.898 120.851 119.914 0.066 0.000 2.282 253 V HA -0.364 3.756 4.120 -0.001 0.000 0.249 253 V C 2.279 178.254 176.094 -0.198 0.000 1.057 253 V CA 2.378 64.621 62.300 -0.096 0.000 1.032 253 V CB -0.703 30.912 31.823 -0.348 0.000 0.645 253 V HN 0.494 nan 8.190 nan 0.000 0.447 254 Q N -0.491 119.128 119.800 -0.302 0.000 2.112 254 Q HA -0.310 4.030 4.340 -0.001 0.000 0.206 254 Q C 2.101 177.912 176.000 -0.314 0.000 0.987 254 Q CA 2.157 57.740 55.803 -0.366 0.000 0.858 254 Q CB -0.363 28.073 28.738 -0.503 0.000 0.905 254 Q HN 0.729 nan 8.270 nan 0.000 0.420 255 D N 0.480 120.685 120.400 -0.325 0.000 2.123 255 D HA -0.181 4.459 4.640 -0.001 0.000 0.196 255 D C 1.272 177.522 176.300 -0.084 0.000 0.992 255 D CA 1.378 55.245 54.000 -0.223 0.000 0.833 255 D CB 0.024 40.709 40.800 -0.191 0.000 0.954 255 D HN 0.131 nan 8.370 nan 0.000 0.455 256 D N -0.647 119.740 120.400 -0.021 0.000 2.097 256 D HA -0.108 4.531 4.640 -0.001 0.000 0.197 256 D C 2.294 178.608 176.300 0.022 0.000 0.984 256 D CA 0.680 54.712 54.000 0.053 0.000 0.826 256 D CB -0.388 40.499 40.800 0.146 0.000 0.973 256 D HN 0.148 nan 8.370 nan 0.000 0.460 257 V N 0.860 120.752 119.914 -0.038 0.000 2.295 257 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 257 V C 2.507 178.608 176.094 0.012 0.000 1.049 257 V CA 1.452 63.738 62.300 -0.023 0.000 1.024 257 V CB -0.445 31.195 31.823 -0.306 0.000 0.648 257 V HN 0.208 nan 8.190 nan 0.000 0.447 258 M N -0.238 119.316 119.600 -0.077 0.000 2.149 258 M HA -0.235 4.245 4.480 -0.001 0.000 0.261 258 M C 2.012 178.296 176.300 -0.027 0.000 1.064 258 M CA 2.230 57.500 55.300 -0.051 0.000 1.102 258 M CB -0.655 31.886 32.600 -0.099 0.000 1.369 258 M HN 0.382 nan 8.290 nan 0.000 0.408 259 D N -0.486 119.896 120.400 -0.030 0.000 2.158 259 D HA -0.211 4.428 4.640 -0.001 0.000 0.197 259 D C 2.051 178.312 176.300 -0.065 0.000 0.995 259 D CA 1.350 55.335 54.000 -0.025 0.000 0.846 259 D CB 0.102 40.906 40.800 0.005 0.000 0.941 259 D HN 0.429 nan 8.370 nan 0.000 0.456 260 C N -1.340 117.889 119.300 -0.119 0.000 2.505 260 C HA 0.125 4.584 4.460 -0.001 0.000 0.279 260 C C 1.925 176.629 174.990 -0.477 0.000 1.316 260 C CA 0.160 58.964 59.018 -0.357 0.000 1.720 260 C CB -1.171 26.232 27.740 -0.562 0.000 2.050 260 C HN 0.347 nan 8.230 nan 0.000 0.493 261 F N 0.260 120.211 119.950 0.001 0.000 2.712 261 F HA 0.266 4.793 4.527 -0.000 0.000 0.297 261 F C 1.194 176.976 175.800 -0.029 0.000 1.114 261 F CA 0.194 58.187 58.000 -0.012 0.000 1.305 261 F CB -0.501 38.485 39.000 -0.024 0.000 1.086 261 F HN -0.091 nan 8.300 nan 0.000 0.599 262 T N 3.638 118.255 114.554 0.106 0.000 2.794 262 T HA 0.261 4.611 4.350 -0.001 0.000 0.296 262 T C -2.393 172.321 174.700 0.022 0.000 0.949 262 T CA -1.268 60.859 62.100 0.045 0.000 1.101 262 T CB 0.922 69.792 68.868 0.003 0.000 0.905 262 T HN -0.258 nan 8.240 nan 0.000 0.516 263 P HA 0.132 nan 4.420 nan 0.000 0.266 263 P C -1.922 175.378 177.300 0.001 0.000 1.195 263 P CA -1.282 61.824 63.100 0.009 0.000 0.768 263 P CB 0.120 31.826 31.700 0.010 0.000 0.838 264 P HA -0.155 nan 4.420 nan 0.000 0.220 264 P C 1.445 178.745 177.300 0.000 0.000 1.148 264 P CA 1.648 64.747 63.100 -0.002 0.000 0.803 264 P CB -0.321 31.377 31.700 -0.003 0.000 0.782 265 E N 0.428 120.628 120.200 -0.000 0.000 2.153 265 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 265 E C 2.077 178.677 176.600 0.000 0.000 0.988 265 E CA 1.463 57.863 56.400 0.000 0.000 0.811 265 E CB -1.108 28.592 29.700 -0.000 0.000 0.746 265 E HN 0.226 nan 8.360 nan 0.000 0.466 266 R N -1.329 119.169 120.500 -0.002 0.000 2.112 266 R HA 0.154 4.493 4.340 -0.001 0.000 0.216 266 R C 2.291 178.587 176.300 -0.007 0.000 1.080 266 R CA 0.638 56.735 56.100 -0.005 0.000 0.996 266 R CB -0.242 30.053 30.300 -0.008 0.000 0.902 266 R HN 0.357 nan 8.270 nan 0.000 0.449 267 L N -0.462 120.757 121.223 -0.007 0.000 2.005 267 L HA 0.091 4.431 4.340 -0.001 0.000 0.207 267 L C 1.583 178.454 176.870 0.003 0.000 1.072 267 L CA 2.587 57.423 54.840 -0.007 0.000 0.744 267 L CB -0.439 41.617 42.059 -0.006 0.000 0.895 267 L HN 0.555 nan 8.230 nan 0.000 0.433 268 G N -1.508 107.296 108.800 0.007 0.000 2.213 268 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.236 268 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.236 268 G C 0.377 175.291 174.900 0.024 0.000 0.991 268 G CA 0.368 45.477 45.100 0.016 0.000 0.629 268 G HN 0.540 nan 8.290 nan 0.000 0.517 269 K N -0.336 120.077 120.400 0.022 0.000 2.477 269 K HA 0.768 5.087 4.320 -0.001 0.000 0.255 269 K C -0.941 175.670 176.600 0.019 0.000 0.952 269 K CA -0.978 55.327 56.287 0.030 0.000 0.826 269 K CB 2.737 35.264 32.500 0.045 0.000 1.331 269 K HN 0.205 nan 8.250 nan 0.000 0.437 270 V N 1.743 121.669 119.914 0.020 0.000 2.432 270 V HA 0.315 4.434 4.120 -0.001 0.000 0.275 270 V C 0.791 176.892 176.094 0.011 0.000 1.043 270 V CA -0.318 61.987 62.300 0.008 0.000 0.925 270 V CB 1.135 32.960 31.823 0.003 0.000 0.985 270 V HN 0.909 nan 8.190 nan 0.000 0.466 271 G N 2.917 111.715 108.800 -0.003 0.000 2.432 271 G HA2 0.376 4.336 3.960 -0.001 0.000 0.239 271 G HA3 0.376 4.336 3.960 -0.001 0.000 0.239 271 G C 0.764 175.660 174.900 -0.007 0.000 1.291 271 G CA 0.497 45.595 45.100 -0.004 0.000 0.863 271 G HN 0.924 nan 8.290 nan 0.000 0.560 272 T N -1.844 112.713 114.554 0.005 0.000 3.016 272 T HA 0.123 4.472 4.350 -0.001 0.000 0.271 272 T C 1.086 175.777 174.700 -0.015 0.000 0.968 272 T CA 0.291 62.389 62.100 -0.004 0.000 0.891 272 T CB 0.382 69.263 68.868 0.021 0.000 1.149 272 T HN 0.299 nan 8.240 nan 0.000 0.524 273 D N 2.373 122.780 120.400 0.013 0.000 2.106 273 D HA -0.057 4.582 4.640 -0.001 0.000 0.191 273 D C 1.908 178.183 176.300 -0.041 0.000 0.997 273 D CA 1.173 55.203 54.000 0.049 0.000 0.834 273 D CB -0.262 40.608 40.800 0.117 0.000 0.956 273 D HN 0.424 nan 8.370 nan 0.000 0.448 274 I N 0.529 121.043 120.570 -0.095 0.000 2.099 274 I HA -0.333 3.836 4.170 -0.001 0.000 0.239 274 I C 2.438 178.249 176.117 -0.508 0.000 1.066 274 I CA 1.276 62.358 61.300 -0.363 0.000 1.324 274 I CB -0.297 37.591 38.000 -0.186 0.000 1.037 274 I HN -0.060 nan 8.210 nan 0.000 0.401 275 Q N 0.675 120.318 119.800 -0.261 0.000 2.112 275 Q HA -0.229 4.110 4.340 -0.001 0.000 0.206 275 Q C 1.603 177.500 176.000 -0.171 0.000 0.987 275 Q CA 1.707 57.391 55.803 -0.198 0.000 0.858 275 Q CB -0.276 28.398 28.738 -0.107 0.000 0.905 275 Q HN 0.448 nan 8.270 nan 0.000 0.420 276 D N -0.956 119.372 120.400 -0.120 0.000 2.349 276 D HA 0.189 4.829 4.640 -0.001 0.000 0.224 276 D C 0.018 176.291 176.300 -0.045 0.000 1.029 276 D CA 0.808 54.779 54.000 -0.050 0.000 0.879 276 D CB 0.102 40.909 40.800 0.012 0.000 0.906 276 D HN 0.253 nan 8.370 nan 0.000 0.528 277 A N 0.527 123.247 122.820 -0.166 0.000 2.846 277 A HA -0.222 4.097 4.320 -0.001 0.000 0.287 277 A C 0.230 178.072 177.584 0.430 0.000 1.469 277 A CA 0.420 52.438 52.037 -0.033 0.000 0.757 277 A CB -1.765 17.281 19.000 0.077 0.000 1.033 277 A HN 0.030 nan 8.150 nan 0.000 0.516 278 K N -0.442 120.148 120.400 0.318 0.000 2.401 278 K HA 0.181 4.500 4.320 -0.001 0.000 0.278 278 K C 0.689 177.506 176.600 0.361 0.000 1.018 278 K CA 0.002 56.472 56.287 0.305 0.000 0.981 278 K CB 0.647 33.271 32.500 0.207 0.000 0.933 278 K HN 0.803 nan 8.250 nan 0.000 0.477 279 C N 4.534 123.813 119.300 -0.034 0.000 3.031 279 C HA 0.041 4.501 4.460 -0.001 0.000 0.489 279 C C 1.057 176.040 174.990 -0.012 0.000 1.020 279 C CA -0.282 58.411 59.018 -0.542 0.000 1.104 279 C CB -2.473 24.841 27.740 -0.710 0.000 1.470 279 C HN 0.690 nan 8.230 nan 0.000 0.583 280 S N 2.920 118.680 115.700 0.099 0.000 2.645 280 S HA 0.224 4.693 4.470 -0.001 0.000 0.266 280 S C 0.647 175.103 174.600 -0.241 0.000 1.258 280 S CA -0.532 57.743 58.200 0.126 0.000 0.990 280 S CB 0.413 63.718 63.200 0.176 0.000 0.967 280 S HN 0.874 nan 8.310 nan 0.000 0.556 281 W N 1.425 122.323 121.300 -0.671 0.000 2.358 281 W HA -0.063 4.596 4.660 -0.001 0.000 0.303 281 W C 1.704 177.916 176.519 -0.512 0.000 1.208 281 W CA 1.323 58.095 57.345 -0.955 0.000 1.274 281 W CB -0.580 28.448 29.460 -0.720 0.000 1.138 281 W HN 0.696 nan 8.180 nan 0.000 0.515 282 L N 0.392 121.444 121.223 -0.285 0.000 1.989 282 L HA -0.264 4.075 4.340 -0.001 0.000 0.211 282 L C 2.764 179.207 176.870 -0.712 0.000 1.071 282 L CA 1.757 56.227 54.840 -0.616 0.000 0.749 282 L CB -1.550 40.101 42.059 -0.679 0.000 0.890 282 L HN 0.099 nan 8.230 nan 0.000 0.431 283 A N 0.045 122.644 122.820 -0.368 0.000 1.865 283 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 283 A C 2.336 179.783 177.584 -0.229 0.000 1.191 283 A CA 2.317 54.258 52.037 -0.160 0.000 0.623 283 A CB -1.084 17.998 19.000 0.138 0.000 0.826 283 A HN 0.350 nan 8.150 nan 0.000 0.444 284 V N -2.750 116.998 119.914 -0.276 0.000 2.427 284 V HA -0.153 3.966 4.120 -0.001 0.000 0.248 284 V C 2.165 178.011 176.094 -0.413 0.000 1.051 284 V CA 2.721 64.859 62.300 -0.270 0.000 1.048 284 V CB -1.758 29.910 31.823 -0.258 0.000 0.666 284 V HN 0.422 nan 8.190 nan 0.000 0.456 285 T N 0.679 114.817 114.554 -0.693 0.000 2.737 285 T HA -0.091 4.259 4.350 -0.001 0.000 0.265 285 T C 1.527 175.953 174.700 -0.458 0.000 1.038 285 T CA 2.092 63.749 62.100 -0.738 0.000 1.144 285 T CB -0.505 67.509 68.868 -1.424 0.000 0.866 285 T HN 0.626 nan 8.240 nan 0.000 0.434 286 F N 1.913 121.541 119.950 -0.538 0.000 2.069 286 F HA -0.062 4.465 4.527 -0.001 0.000 0.298 286 F C 1.912 177.494 175.800 -0.363 0.000 1.113 286 F CA 1.258 59.041 58.000 -0.362 0.000 1.214 286 F CB -0.543 38.316 39.000 -0.236 0.000 0.978 286 F HN 0.027 nan 8.300 nan 0.000 0.474 287 L N 0.119 121.070 121.223 -0.455 0.000 2.127 287 L HA -0.198 4.141 4.340 -0.001 0.000 0.211 287 L C 2.676 179.303 176.870 -0.405 0.000 1.089 287 L CA 1.084 55.613 54.840 -0.519 0.000 0.757 287 L CB -1.081 40.755 42.059 -0.370 0.000 0.899 287 L HN 0.317 nan 8.230 nan 0.000 0.434 288 A N 0.475 123.098 122.820 -0.329 0.000 2.119 288 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 288 A C 2.176 179.613 177.584 -0.246 0.000 1.152 288 A CA 1.391 53.283 52.037 -0.241 0.000 0.708 288 A CB -0.194 18.688 19.000 -0.198 0.000 0.805 288 A HN 0.550 nan 8.150 nan 0.000 0.460 289 K N -1.588 118.616 120.400 -0.326 0.000 2.412 289 K HA 0.535 4.855 4.320 -0.001 0.000 0.202 289 K C 0.574 176.975 176.600 -0.330 0.000 1.102 289 K CA 0.449 56.573 56.287 -0.271 0.000 1.027 289 K CB 0.132 32.502 32.500 -0.218 0.000 0.931 289 K HN 0.180 nan 8.250 nan 0.000 0.557 290 A N 2.128 124.629 122.820 -0.531 0.000 2.407 290 A HA 0.341 4.660 4.320 -0.001 0.000 0.248 290 A C 0.365 177.757 177.584 -0.321 0.000 1.082 290 A CA -0.221 51.465 52.037 -0.586 0.000 0.785 290 A CB 0.395 18.702 19.000 -1.155 0.000 1.020 290 A HN 0.494 nan 8.150 nan 0.000 0.489 291 S N 1.684 117.256 115.700 -0.212 0.000 2.589 291 S HA 0.157 4.626 4.470 -0.001 0.000 0.265 291 S C 1.183 175.718 174.600 -0.108 0.000 1.342 291 S CA 0.131 58.257 58.200 -0.123 0.000 1.005 291 S CB 0.801 63.959 63.200 -0.070 0.000 0.909 291 S HN 0.702 nan 8.310 nan 0.000 0.555 292 S N 1.448 117.107 115.700 -0.069 0.000 2.374 292 S HA -0.150 4.319 4.470 -0.001 0.000 0.227 292 S C 2.236 176.828 174.600 -0.014 0.000 1.037 292 S CA 1.396 59.571 58.200 -0.042 0.000 1.024 292 S CB -1.124 62.061 63.200 -0.026 0.000 0.861 292 S HN 0.907 nan 8.310 nan 0.000 0.456 293 A N 1.081 123.898 122.820 -0.005 0.000 1.873 293 A HA -0.166 4.153 4.320 -0.001 0.000 0.215 293 A C 2.105 179.719 177.584 0.050 0.000 1.186 293 A CA 1.468 53.516 52.037 0.019 0.000 0.616 293 A CB -0.669 18.340 19.000 0.016 0.000 0.823 293 A HN 0.531 nan 8.150 nan 0.000 0.442 294 Q N -0.565 119.267 119.800 0.054 0.000 2.061 294 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 294 Q C 2.130 178.277 176.000 0.245 0.000 0.984 294 Q CA 1.802 57.701 55.803 0.160 0.000 0.846 294 Q CB -0.379 28.429 28.738 0.117 0.000 0.902 294 Q HN 0.472 nan 8.270 nan 0.000 0.421 295 V N 0.727 120.690 119.914 0.082 0.000 2.407 295 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 295 V C 2.189 178.379 176.094 0.161 0.000 1.055 295 V CA 1.778 64.136 62.300 0.096 0.000 1.049 295 V CB -0.907 30.886 31.823 -0.051 0.000 0.662 295 V HN 0.427 nan 8.190 nan 0.000 0.455 296 A N -0.586 122.296 122.820 0.104 0.000 1.877 296 A HA -0.272 4.047 4.320 -0.001 0.000 0.216 296 A C 2.272 179.911 177.584 0.093 0.000 1.186 296 A CA 2.001 54.092 52.037 0.089 0.000 0.620 296 A CB -0.505 18.527 19.000 0.055 0.000 0.822 296 A HN 0.601 nan 8.150 nan 0.000 0.443 297 E N -1.370 118.889 120.200 0.099 0.000 2.077 297 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 297 E C 1.733 178.363 176.600 0.050 0.000 0.989 297 E CA 1.202 57.641 56.400 0.065 0.000 0.800 297 E CB -0.245 29.493 29.700 0.063 0.000 0.746 297 E HN 0.616 nan 8.360 nan 0.000 0.452 298 F N 1.662 121.588 119.950 -0.040 0.000 2.095 298 F HA -0.210 4.317 4.527 -0.001 0.000 0.298 298 F C 2.016 177.729 175.800 -0.145 0.000 1.104 298 F CA 1.746 59.653 58.000 -0.154 0.000 1.232 298 F CB -0.002 38.940 39.000 -0.096 0.000 0.987 298 F HN -0.143 nan 8.300 nan 0.000 0.475 299 K N 0.024 120.456 120.400 0.053 0.000 2.097 299 K HA -0.122 4.197 4.320 -0.001 0.000 0.206 299 K C 2.156 178.768 176.600 0.020 0.000 1.049 299 K CA 1.127 57.459 56.287 0.074 0.000 0.933 299 K CB -0.473 32.164 32.500 0.228 0.000 0.717 299 K HN 0.377 nan 8.250 nan 0.000 0.442 300 A N 1.134 123.946 122.820 -0.012 0.000 2.119 300 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 300 A C 1.406 178.944 177.584 -0.077 0.000 1.153 300 A CA 1.079 53.101 52.037 -0.025 0.000 0.692 300 A CB -0.074 18.918 19.000 -0.013 0.000 0.799 300 A HN 0.279 nan 8.150 nan 0.000 0.458 301 N N -2.585 116.021 118.700 -0.156 0.000 2.257 301 N HA 0.086 4.825 4.740 -0.001 0.000 0.200 301 N C -0.602 174.766 175.510 -0.237 0.000 1.163 301 N CA -0.099 52.838 53.050 -0.189 0.000 0.891 301 N CB 0.393 38.763 38.487 -0.195 0.000 1.067 301 N HN 0.449 nan 8.380 nan 0.000 0.497 302 Y N 1.653 121.630 120.300 -0.539 0.000 2.336 302 Y HA 0.344 4.894 4.550 -0.001 0.000 0.331 302 Y C 1.376 177.151 175.900 -0.209 0.000 1.211 302 Y CA 0.828 58.606 58.100 -0.536 0.000 1.346 302 Y CB 0.770 38.600 38.460 -1.051 0.000 1.271 302 Y HN 0.321 nan 8.280 nan 0.000 0.538 303 G N 2.747 111.227 108.800 -0.533 0.000 2.225 303 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.264 303 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.264 303 G C -0.269 174.520 174.900 -0.186 0.000 1.060 303 G CA 0.403 45.318 45.100 -0.309 0.000 0.833 303 G HN 0.814 nan 8.290 nan 0.000 0.498 304 S N -1.456 114.123 115.700 -0.200 0.000 2.538 304 S HA 0.683 5.153 4.470 -0.001 0.000 0.288 304 S C 1.441 175.967 174.600 -0.123 0.000 1.108 304 S CA 0.634 58.755 58.200 -0.130 0.000 0.971 304 S CB 1.423 64.556 63.200 -0.111 0.000 1.041 304 S HN 1.293 nan 8.310 nan 0.000 0.483 305 G N 1.913 110.662 108.800 -0.085 0.000 2.534 305 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.217 305 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.217 305 G C 0.412 175.272 174.900 -0.067 0.000 1.128 305 G CA 0.107 45.165 45.100 -0.070 0.000 0.784 305 G HN 0.746 nan 8.290 nan 0.000 0.542 306 D N 0.619 120.978 120.400 -0.069 0.000 2.472 306 D HA 0.087 4.726 4.640 -0.001 0.000 0.248 306 D C 1.560 177.818 176.300 -0.070 0.000 1.174 306 D CA 0.085 54.048 54.000 -0.062 0.000 0.883 306 D CB 0.943 41.706 40.800 -0.061 0.000 1.149 306 D HN 0.027 nan 8.370 nan 0.000 0.488 307 S N 3.183 118.848 115.700 -0.058 0.000 2.400 307 S HA -0.228 4.242 4.470 -0.001 0.000 0.232 307 S C 1.533 176.094 174.600 -0.064 0.000 1.025 307 S CA 1.261 59.425 58.200 -0.059 0.000 0.993 307 S CB -0.061 63.112 63.200 -0.045 0.000 0.808 307 S HN 0.663 nan 8.310 nan 0.000 0.478 308 E N 1.691 121.856 120.200 -0.059 0.000 2.072 308 E HA -0.047 4.302 4.350 -0.001 0.000 0.190 308 E C 1.841 178.394 176.600 -0.077 0.000 0.982 308 E CA 1.275 57.640 56.400 -0.059 0.000 0.803 308 E CB -0.111 29.560 29.700 -0.048 0.000 0.755 308 E HN 0.398 nan 8.360 nan 0.000 0.453 309 K N 0.083 120.430 120.400 -0.088 0.000 2.057 309 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 309 K C 2.250 178.763 176.600 -0.146 0.000 1.050 309 K CA 1.477 57.696 56.287 -0.114 0.000 0.935 309 K CB -0.345 32.087 32.500 -0.113 0.000 0.715 309 K HN 0.259 nan 8.250 nan 0.000 0.439 310 V N -0.652 119.177 119.914 -0.140 0.000 2.427 310 V HA -0.124 3.996 4.120 -0.001 0.000 0.248 310 V C 2.220 178.219 176.094 -0.159 0.000 1.051 310 V CA 1.796 64.001 62.300 -0.160 0.000 1.048 310 V CB -0.747 30.993 31.823 -0.140 0.000 0.666 310 V HN 0.205 nan 8.190 nan 0.000 0.456 311 A N 0.518 123.265 122.820 -0.121 0.000 1.902 311 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 311 A C 2.356 179.871 177.584 -0.115 0.000 1.181 311 A CA 2.658 54.634 52.037 -0.101 0.000 0.623 311 A CB -1.349 17.610 19.000 -0.069 0.000 0.818 311 A HN 0.584 nan 8.150 nan 0.000 0.443 312 T N -0.304 114.174 114.554 -0.127 0.000 2.737 312 T HA -0.110 4.239 4.350 -0.001 0.000 0.265 312 T C 1.911 176.479 174.700 -0.221 0.000 1.038 312 T CA 1.543 63.562 62.100 -0.136 0.000 1.144 312 T CB -0.456 68.343 68.868 -0.116 0.000 0.866 312 T HN 0.164 nan 8.240 nan 0.000 0.434 313 V N 1.607 121.341 119.914 -0.300 0.000 2.282 313 V HA -0.240 3.879 4.120 -0.001 0.000 0.249 313 V C 2.650 178.338 176.094 -0.677 0.000 1.057 313 V CA 1.745 63.732 62.300 -0.522 0.000 1.032 313 V CB -0.593 30.966 31.823 -0.439 0.000 0.645 313 V HN 0.391 nan 8.190 nan 0.000 0.447 314 R N -0.572 119.695 120.500 -0.389 0.000 2.091 314 R HA -0.197 4.142 4.340 -0.001 0.000 0.238 314 R C 2.563 178.860 176.300 -0.006 0.000 1.136 314 R CA 1.876 57.849 56.100 -0.212 0.000 0.959 314 R CB -0.390 29.817 30.300 -0.154 0.000 0.856 314 R HN 0.456 nan 8.270 nan 0.000 0.437 315 R N 0.913 121.379 120.500 -0.056 0.000 2.081 315 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 315 R C 2.278 178.584 176.300 0.010 0.000 1.131 315 R CA 1.181 57.288 56.100 0.011 0.000 0.960 315 R CB -0.228 30.063 30.300 -0.016 0.000 0.856 315 R HN 0.168 nan 8.270 nan 0.000 0.436 316 L N -0.137 121.018 121.223 -0.112 0.000 2.083 316 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 316 L C 2.270 179.168 176.870 0.048 0.000 1.083 316 L CA 1.124 55.909 54.840 -0.091 0.000 0.752 316 L CB -0.537 41.329 42.059 -0.321 0.000 0.899 316 L HN 0.240 nan 8.230 nan 0.000 0.433 317 Y N 0.294 120.555 120.300 -0.064 0.000 2.224 317 Y HA -0.224 4.325 4.550 -0.001 0.000 0.289 317 Y C 2.609 178.607 175.900 0.163 0.000 1.146 317 Y CA 0.756 58.906 58.100 0.084 0.000 1.182 317 Y CB -0.701 37.884 38.460 0.208 0.000 0.983 317 Y HN 0.275 nan 8.280 nan 0.000 0.524 318 E N 0.002 120.389 120.200 0.311 0.000 2.072 318 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 318 E C 1.949 178.623 176.600 0.124 0.000 0.985 318 E CA 1.137 57.631 56.400 0.158 0.000 0.801 318 E CB -0.129 29.647 29.700 0.127 0.000 0.750 318 E HN 0.584 nan 8.360 nan 0.000 0.452 319 E N 0.259 120.541 120.200 0.136 0.000 2.204 319 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 319 E C 1.689 178.369 176.600 0.133 0.000 0.990 319 E CA 0.762 57.232 56.400 0.117 0.000 0.821 319 E CB 0.013 29.781 29.700 0.113 0.000 0.750 319 E HN 0.155 nan 8.360 nan 0.000 0.477 320 A N 1.141 124.082 122.820 0.201 0.000 2.238 320 A HA -0.046 4.273 4.320 -0.001 0.000 0.208 320 A C 0.511 178.160 177.584 0.108 0.000 1.177 320 A CA 0.606 52.751 52.037 0.180 0.000 0.804 320 A CB 0.097 19.302 19.000 0.342 0.000 0.823 320 A HN 0.249 nan 8.150 nan 0.000 0.482 321 D N -1.462 118.998 120.400 0.101 0.000 2.716 321 D HA -0.157 4.482 4.640 -0.001 0.000 0.239 321 D C 0.484 176.835 176.300 0.085 0.000 1.125 321 D CA 0.773 54.815 54.000 0.071 0.000 0.681 321 D CB -1.757 39.074 40.800 0.051 0.000 1.070 321 D HN 0.425 nan 8.370 nan 0.000 0.432 322 L N -0.064 121.221 121.223 0.103 0.000 2.156 322 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 322 L C 2.496 179.491 176.870 0.208 0.000 1.095 322 L CA 0.912 55.827 54.840 0.125 0.000 0.770 322 L CB -0.424 41.685 42.059 0.084 0.000 0.914 322 L HN 0.297 nan 8.230 nan 0.000 0.439 323 Q N 0.033 119.888 119.800 0.090 0.000 2.170 323 Q HA -0.129 4.210 4.340 -0.001 0.000 0.203 323 Q C 2.247 178.343 176.000 0.161 0.000 0.976 323 Q CA 1.637 57.485 55.803 0.075 0.000 0.858 323 Q CB -0.512 28.182 28.738 -0.074 0.000 0.907 323 Q HN 0.566 nan 8.270 nan 0.000 0.433 324 G N 1.554 110.431 108.800 0.128 0.000 2.402 324 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.216 324 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.216 324 G C 0.987 175.991 174.900 0.173 0.000 1.162 324 G CA 0.726 45.900 45.100 0.123 0.000 0.777 324 G HN 0.234 nan 8.290 nan 0.000 0.539 325 D N -0.528 120.006 120.400 0.222 0.000 2.144 325 D HA -0.117 4.523 4.640 -0.001 0.000 0.199 325 D C 1.887 178.454 176.300 0.445 0.000 0.984 325 D CA 0.681 54.860 54.000 0.299 0.000 0.834 325 D CB -0.301 40.658 40.800 0.265 0.000 0.955 325 D HN 0.385 nan 8.370 nan 0.000 0.465 326 Y N 1.599 122.117 120.300 0.362 0.000 2.145 326 Y HA -0.225 4.325 4.550 -0.001 0.000 0.286 326 Y C 2.215 178.212 175.900 0.162 0.000 1.145 326 Y CA 1.126 59.333 58.100 0.177 0.000 1.148 326 Y CB -0.366 38.119 38.460 0.041 0.000 0.981 326 Y HN -0.208 nan 8.280 nan 0.000 0.507 327 V N 0.501 120.490 119.914 0.123 0.000 2.332 327 V HA -0.366 3.754 4.120 -0.001 0.000 0.248 327 V C 2.618 178.706 176.094 -0.010 0.000 1.055 327 V CA 1.962 64.275 62.300 0.023 0.000 1.038 327 V CB -1.623 30.251 31.823 0.085 0.000 0.651 327 V HN 0.579 nan 8.190 nan 0.000 0.450 328 A N -1.237 121.618 122.820 0.058 0.000 1.930 328 A HA -0.174 4.146 4.320 -0.001 0.000 0.215 328 A C 2.128 179.745 177.584 0.055 0.000 1.176 328 A CA 1.534 53.605 52.037 0.058 0.000 0.632 328 A CB -0.635 18.420 19.000 0.092 0.000 0.819 328 A HN 0.626 nan 8.150 nan 0.000 0.445 329 Y N 0.821 121.102 120.300 -0.031 0.000 2.114 329 Y HA -0.223 4.327 4.550 -0.001 0.000 0.284 329 Y C 2.279 178.102 175.900 -0.128 0.000 1.143 329 Y CA 2.297 60.367 58.100 -0.050 0.000 1.135 329 Y CB -0.497 37.935 38.460 -0.046 0.000 0.980 329 Y HN 0.484 nan 8.280 nan 0.000 0.499 330 E N 0.064 120.065 120.200 -0.330 0.000 2.130 330 E HA -0.253 4.097 4.350 -0.001 0.000 0.196 330 E C 2.140 178.612 176.600 -0.213 0.000 0.998 330 E CA 1.286 57.491 56.400 -0.324 0.000 0.806 330 E CB -0.356 29.178 29.700 -0.278 0.000 0.738 330 E HN 0.588 nan 8.360 nan 0.000 0.459 331 A N 0.782 123.521 122.820 -0.135 0.000 1.929 331 A HA 0.078 4.398 4.320 -0.001 0.000 0.216 331 A C 2.333 179.827 177.584 -0.151 0.000 1.176 331 A CA 1.325 53.310 52.037 -0.086 0.000 0.628 331 A CB -0.505 18.473 19.000 -0.036 0.000 0.816 331 A HN 0.404 nan 8.150 nan 0.000 0.444 332 A N -0.474 122.237 122.820 -0.182 0.000 1.898 332 A HA 0.059 4.378 4.320 -0.001 0.000 0.216 332 A C 2.205 179.613 177.584 -0.292 0.000 1.181 332 A CA 1.629 53.552 52.037 -0.190 0.000 0.620 332 A CB -0.822 18.100 19.000 -0.129 0.000 0.819 332 A HN 0.315 nan 8.150 nan 0.000 0.442 333 V N -0.047 119.599 119.914 -0.447 0.000 2.261 333 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 333 V C 3.081 178.866 176.094 -0.514 0.000 1.047 333 V CA 2.006 63.989 62.300 -0.529 0.000 1.015 333 V CB -1.246 30.140 31.823 -0.728 0.000 0.642 333 V HN 0.599 nan 8.190 nan 0.000 0.446 334 A N -0.311 122.268 122.820 -0.402 0.000 1.978 334 A HA -0.274 4.046 4.320 -0.001 0.000 0.220 334 A C 2.163 179.513 177.584 -0.389 0.000 1.170 334 A CA 2.170 53.983 52.037 -0.373 0.000 0.636 334 A CB -0.491 18.366 19.000 -0.239 0.000 0.810 334 A HN 0.574 nan 8.150 nan 0.000 0.448 335 E N 0.180 120.203 120.200 -0.294 0.000 2.047 335 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 335 E C 2.154 178.593 176.600 -0.269 0.000 0.987 335 E CA 1.797 58.053 56.400 -0.239 0.000 0.799 335 E CB -0.402 29.197 29.700 -0.169 0.000 0.752 335 E HN 0.717 nan 8.360 nan 0.000 0.449 336 Q N -0.353 119.271 119.800 -0.294 0.000 2.084 336 Q HA -0.108 4.231 4.340 -0.001 0.000 0.202 336 Q C 2.318 178.098 176.000 -0.367 0.000 0.978 336 Q CA 1.602 57.235 55.803 -0.283 0.000 0.844 336 Q CB -0.101 28.480 28.738 -0.260 0.000 0.898 336 Q HN 0.181 nan 8.270 nan 0.000 0.426 337 V N 1.602 121.187 119.914 -0.549 0.000 2.231 337 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 337 V C 2.261 178.019 176.094 -0.560 0.000 1.054 337 V CA 1.755 63.617 62.300 -0.731 0.000 1.015 337 V CB -0.537 30.431 31.823 -1.424 0.000 0.638 337 V HN 0.297 nan 8.190 nan 0.000 0.444 338 K N -0.159 119.940 120.400 -0.500 0.000 2.113 338 K HA -0.236 4.083 4.320 -0.001 0.000 0.208 338 K C 2.090 178.549 176.600 -0.234 0.000 1.047 338 K CA 1.853 57.944 56.287 -0.325 0.000 0.928 338 K CB -0.349 32.000 32.500 -0.252 0.000 0.716 338 K HN 0.635 nan 8.250 nan 0.000 0.446 339 E N 0.157 120.224 120.200 -0.222 0.000 2.046 339 E HA -0.132 4.218 4.350 -0.001 0.000 0.190 339 E C 1.980 178.488 176.600 -0.153 0.000 0.982 339 E CA 0.568 56.870 56.400 -0.163 0.000 0.800 339 E CB -0.018 29.594 29.700 -0.147 0.000 0.756 339 E HN 0.011 nan 8.360 nan 0.000 0.449 340 L N 0.870 121.981 121.223 -0.187 0.000 2.083 340 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 340 L C 2.170 178.953 176.870 -0.146 0.000 1.083 340 L CA 1.422 56.166 54.840 -0.160 0.000 0.752 340 L CB -0.528 41.419 42.059 -0.188 0.000 0.899 340 L HN 0.186 nan 8.230 nan 0.000 0.433 341 I N -0.886 119.571 120.570 -0.188 0.000 2.361 341 I HA -0.236 3.934 4.170 -0.001 0.000 0.251 341 I C 2.309 178.360 176.117 -0.109 0.000 1.133 341 I CA 0.777 61.981 61.300 -0.161 0.000 1.413 341 I CB -0.197 37.686 38.000 -0.194 0.000 1.073 341 I HN 0.281 nan 8.210 nan 0.000 0.424 342 E N 0.964 121.100 120.200 -0.107 0.000 2.072 342 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 342 E C 2.085 178.651 176.600 -0.056 0.000 0.985 342 E CA 0.884 57.238 56.400 -0.076 0.000 0.801 342 E CB -0.215 29.439 29.700 -0.078 0.000 0.750 342 E HN 0.410 nan 8.360 nan 0.000 0.452 343 K N 0.573 120.936 120.400 -0.061 0.000 2.074 343 K HA -0.119 4.200 4.320 -0.001 0.000 0.209 343 K C 2.325 178.913 176.600 -0.020 0.000 1.048 343 K CA 0.845 57.107 56.287 -0.042 0.000 0.926 343 K CB -0.229 32.242 32.500 -0.048 0.000 0.713 343 K HN 0.134 nan 8.250 nan 0.000 0.444 344 L N 0.140 121.352 121.223 -0.017 0.000 2.056 344 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 344 L C 2.683 179.570 176.870 0.028 0.000 1.078 344 L CA 1.070 55.926 54.840 0.027 0.000 0.749 344 L CB -0.349 41.729 42.059 0.032 0.000 0.901 344 L HN 0.217 nan 8.230 nan 0.000 0.433 345 R N 0.263 120.760 120.500 -0.005 0.000 2.127 345 R HA -0.180 4.159 4.340 -0.001 0.000 0.238 345 R C 2.262 178.564 176.300 0.003 0.000 1.134 345 R CA 1.111 57.209 56.100 -0.004 0.000 0.975 345 R CB -0.159 30.126 30.300 -0.024 0.000 0.865 345 R HN 0.350 nan 8.270 nan 0.000 0.447 346 L N -1.015 120.207 121.223 -0.002 0.000 1.989 346 L HA -0.255 4.085 4.340 -0.001 0.000 0.211 346 L C 2.080 178.952 176.870 0.004 0.000 1.071 346 L CA 1.212 56.050 54.840 -0.003 0.000 0.749 346 L CB -0.261 41.793 42.059 -0.008 0.000 0.890 346 L HN 0.300 nan 8.230 nan 0.000 0.431 347 C N -1.719 117.588 119.300 0.011 0.000 3.336 347 C HA 0.235 4.695 4.460 -0.001 0.000 0.291 347 C C 1.068 176.072 174.990 0.024 0.000 1.363 347 C CA -0.283 58.742 59.018 0.012 0.000 1.737 347 C CB -0.054 27.689 27.740 0.005 0.000 2.274 347 C HN 0.317 nan 8.230 nan 0.000 0.663 348 S N 1.543 117.272 115.700 0.047 0.000 2.407 348 S HA 0.153 4.623 4.470 -0.001 0.000 0.166 348 S C -1.828 172.830 174.600 0.096 0.000 1.445 348 S CA -0.276 57.974 58.200 0.085 0.000 1.260 348 S CB 0.685 63.972 63.200 0.146 0.000 1.401 348 S HN 0.346 nan 8.310 nan 0.000 0.379 349 P HA -0.074 nan 4.420 nan 0.000 0.217 349 P C 1.691 179.016 177.300 0.041 0.000 1.150 349 P CA 1.212 64.333 63.100 0.034 0.000 0.832 349 P CB -0.078 31.633 31.700 0.019 0.000 0.787 350 G N -0.565 108.272 108.800 0.062 0.000 2.404 350 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.215 350 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.215 350 G C 1.411 176.373 174.900 0.103 0.000 1.174 350 G CA 0.323 45.462 45.100 0.066 0.000 0.780 350 G HN 0.163 nan 8.290 nan 0.000 0.537 351 F N 2.585 122.524 119.950 -0.019 0.000 2.102 351 F HA 0.067 4.594 4.527 -0.001 0.000 0.298 351 F C 2.789 178.578 175.800 -0.019 0.000 1.105 351 F CA 1.119 59.107 58.000 -0.020 0.000 1.239 351 F CB -0.479 38.508 39.000 -0.022 0.000 0.991 351 F HN 0.228 nan 8.300 nan 0.000 0.474 352 A N 0.417 123.198 122.820 -0.066 0.000 1.948 352 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 352 A C 2.430 179.917 177.584 -0.161 0.000 1.177 352 A CA 2.114 54.055 52.037 -0.159 0.000 0.636 352 A CB -1.584 17.384 19.000 -0.053 0.000 0.815 352 A HN 0.533 nan 8.150 nan 0.000 0.449 353 A N 0.156 122.918 122.820 -0.096 0.000 1.898 353 A HA -0.049 4.271 4.320 -0.001 0.000 0.216 353 A C 2.522 180.050 177.584 -0.092 0.000 1.181 353 A CA 2.207 54.201 52.037 -0.070 0.000 0.620 353 A CB -0.995 17.985 19.000 -0.032 0.000 0.819 353 A HN 1.044 nan 8.150 nan 0.000 0.442 354 S N -0.197 115.428 115.700 -0.125 0.000 2.382 354 S HA -0.130 4.339 4.470 -0.001 0.000 0.228 354 S C 1.744 176.233 174.600 -0.185 0.000 1.027 354 S CA 1.488 59.608 58.200 -0.133 0.000 0.991 354 S CB -0.959 62.179 63.200 -0.102 0.000 0.823 354 S HN 0.245 nan 8.310 nan 0.000 0.469 355 V N 2.321 122.039 119.914 -0.328 0.000 2.343 355 V HA -0.147 3.973 4.120 -0.001 0.000 0.247 355 V C 2.849 178.895 176.094 -0.080 0.000 1.051 355 V CA 2.050 64.186 62.300 -0.273 0.000 1.036 355 V CB -0.872 30.685 31.823 -0.444 0.000 0.654 355 V HN 0.539 nan 8.190 nan 0.000 0.451 356 E N 0.026 120.183 120.200 -0.071 0.000 2.085 356 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 356 E C 2.314 178.959 176.600 0.075 0.000 0.994 356 E CA 1.979 58.396 56.400 0.027 0.000 0.801 356 E CB -0.278 29.418 29.700 -0.008 0.000 0.743 356 E HN 0.603 nan 8.360 nan 0.000 0.453 357 T N 1.859 116.422 114.554 0.015 0.000 2.746 357 T HA -0.145 4.205 4.350 -0.001 0.000 0.267 357 T C 1.884 176.606 174.700 0.038 0.000 1.039 357 T CA 0.655 62.763 62.100 0.014 0.000 1.142 357 T CB -0.185 68.672 68.868 -0.019 0.000 0.866 357 T HN 0.132 nan 8.240 nan 0.000 0.444 358 L N -0.148 121.105 121.223 0.049 0.000 2.017 358 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 358 L C 2.451 179.458 176.870 0.227 0.000 1.073 358 L CA 1.560 56.456 54.840 0.094 0.000 0.745 358 L CB -0.389 41.723 42.059 0.088 0.000 0.894 358 L HN 0.566 nan 8.230 nan 0.000 0.432 359 W N 0.723 122.048 121.300 0.042 0.000 2.342 359 W HA -0.196 4.463 4.660 -0.001 0.000 0.297 359 W C 1.847 178.428 176.519 0.105 0.000 1.213 359 W CA 1.333 58.711 57.345 0.055 0.000 1.251 359 W CB -0.273 29.153 29.460 -0.056 0.000 1.136 359 W HN 0.270 nan 8.180 nan 0.000 0.526 360 G N 0.818 109.621 108.800 0.006 0.000 2.432 360 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.219 360 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.219 360 G C 1.494 176.356 174.900 -0.063 0.000 1.135 360 G CA 0.830 45.888 45.100 -0.069 0.000 0.767 360 G HN 0.275 nan 8.290 nan 0.000 0.550 361 K N -0.115 120.279 120.400 -0.010 0.000 2.486 361 K HA 0.077 4.397 4.320 -0.001 0.000 0.194 361 K C 2.124 178.750 176.600 0.043 0.000 1.033 361 K CA 0.934 57.227 56.287 0.010 0.000 1.004 361 K CB 0.206 32.716 32.500 0.017 0.000 0.798 361 K HN 0.214 nan 8.250 nan 0.000 0.495 362 T N -0.316 114.249 114.554 0.017 0.000 3.053 362 T HA -0.048 4.301 4.350 -0.001 0.000 0.236 362 T C -0.041 174.627 174.700 -0.054 0.000 0.996 362 T CA -0.101 62.064 62.100 0.108 0.000 1.185 362 T CB -0.267 68.785 68.868 0.306 0.000 0.892 362 T HN 0.087 nan 8.240 nan 0.000 0.432 363 Y N 3.808 123.693 120.300 -0.692 0.000 2.852 363 Y HA 0.016 4.565 4.550 -0.001 0.000 0.343 363 Y C 0.713 176.470 175.900 -0.238 0.000 1.280 363 Y CA -0.282 57.390 58.100 -0.714 0.000 1.604 363 Y CB -0.537 37.192 38.460 -1.218 0.000 1.216 363 Y HN 0.233 nan 8.280 nan 0.000 0.541 364 K N 3.102 123.265 120.400 -0.395 0.000 3.071 364 K HA -0.288 4.032 4.320 -0.001 0.000 0.265 364 K C -0.048 176.439 176.600 -0.188 0.000 1.060 364 K CA 0.997 57.074 56.287 -0.350 0.000 0.767 364 K CB -0.961 31.177 32.500 -0.604 0.000 1.241 364 K HN 0.847 nan 8.250 nan 0.000 0.486 365 R N 0.289 120.718 120.500 -0.119 0.000 2.623 365 R HA 0.013 4.353 4.340 -0.001 0.000 0.271 365 R C 0.598 176.846 176.300 -0.088 0.000 1.043 365 R CA -0.095 55.957 56.100 -0.080 0.000 1.083 365 R CB 0.487 30.765 30.300 -0.035 0.000 0.974 365 R HN 0.121 nan 8.270 nan 0.000 0.436 366 Q N 1.289 121.049 119.800 -0.067 0.000 2.259 366 Q HA -0.003 4.337 4.340 -0.001 0.000 0.201 366 Q C 0.185 176.152 176.000 -0.055 0.000 0.938 366 Q CA 0.278 56.045 55.803 -0.061 0.000 0.872 366 Q CB 0.082 28.792 28.738 -0.046 0.000 0.971 366 Q HN 0.682 nan 8.270 nan 0.000 0.494 367 K N 0.000 120.375 120.400 -0.041 0.000 2.780 367 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 367 K CA 0.000 56.268 56.287 -0.031 0.000 0.838 367 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 367 K HN 0.000 nan 8.250 nan 0.000 0.543