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 2ppg_1_C DATA FIRST_RESID 1 DATA SEQUENCE LSDRVKKIES FTLTLPRETP YLGKPRPGEE PNGRGYLVRK ANRTVYPTFD DATA SEQUENCE RSVLVRIETE NGAVGWGETY GLVAPRATXE IIDDLLADFT IGRDPFDAAA DATA SEQUENCE IHDDLYDLXR VRGYTGGFYV DALAAIDIAL WDLAGKLAGL PVCKLLGGQR DATA SEQUENCE RDRIAAYISG LPEDTRAKRA ELAAAWQAKG FSSFKFASPV ADDGVAKEXE DATA SEQUENCE ILRERLGPAV RIACDXHWAH TASEAVALIK AXEPHGLWFA EAPVRTEDID DATA SEQUENCE GLARVAASVS TAIAVGEEWR TVHDXVPRVA RRALAIVQPE XGHKGITQFX DATA SEQUENCE RIGAYAHVHH IKVIPHATIG AGIFLAASLQ ASAALANVDC HEFQXXXXXX DATA SEQUENCE XRRLLVGDXD CLNGEYVVPT GPGLGVEPSK EAQGLLKKH 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.883 176.870 0.022 0.000 1.165 1 L CA 0.000 54.849 54.840 0.015 0.000 0.813 1 L CB 0.000 42.070 42.059 0.018 0.000 0.961 2 S N 1.219 116.933 115.700 0.023 0.000 2.577 2 S HA 0.267 4.737 4.470 -0.001 0.000 0.294 2 S C -1.002 173.622 174.600 0.040 0.000 1.161 2 S CA -0.485 57.737 58.200 0.036 0.000 1.143 2 S CB 0.751 63.966 63.200 0.025 0.000 0.991 2 S HN 0.448 nan 8.310 nan 0.000 0.475 3 D N 3.005 123.438 120.400 0.055 0.000 2.339 3 D HA 0.172 4.812 4.640 -0.001 0.000 0.256 3 D C 0.159 176.472 176.300 0.023 0.000 1.214 3 D CA 0.044 54.065 54.000 0.035 0.000 0.877 3 D CB 0.461 41.282 40.800 0.036 0.000 1.111 3 D HN 0.186 nan 8.370 nan 0.000 0.478 4 R N 2.225 122.728 120.500 0.005 0.000 2.758 4 R HA 0.422 4.761 4.340 -0.001 0.000 0.265 4 R C -0.537 175.749 176.300 -0.023 0.000 1.016 4 R CA -1.077 55.020 56.100 -0.006 0.000 1.040 4 R CB 1.019 31.318 30.300 -0.002 0.000 1.152 4 R HN 0.180 nan 8.270 nan 0.000 0.503 5 V N 3.070 122.966 119.914 -0.031 0.000 2.485 5 V HA -0.037 4.083 4.120 -0.001 0.000 0.287 5 V C 1.738 177.812 176.094 -0.035 0.000 1.022 5 V CA 0.726 63.002 62.300 -0.040 0.000 1.067 5 V CB 0.701 32.500 31.823 -0.040 0.000 0.967 5 V HN 0.682 nan 8.190 nan 0.000 0.479 6 K N 4.659 125.036 120.400 -0.038 0.000 2.190 6 K HA 0.180 4.500 4.320 -0.001 0.000 0.202 6 K C 0.758 177.335 176.600 -0.038 0.000 1.045 6 K CA 0.465 56.732 56.287 -0.035 0.000 0.976 6 K CB 0.358 32.840 32.500 -0.031 0.000 0.849 6 K HN 0.568 nan 8.250 nan 0.000 0.468 7 K N 0.895 121.268 120.400 -0.045 0.000 2.498 7 K HA 0.356 4.675 4.320 -0.001 0.000 0.254 7 K C -1.686 174.881 176.600 -0.055 0.000 0.933 7 K CA -0.576 55.684 56.287 -0.046 0.000 0.806 7 K CB 1.634 34.109 32.500 -0.041 0.000 1.301 7 K HN 0.039 nan 8.250 nan 0.000 0.432 8 I N 2.979 123.519 120.570 -0.049 0.000 2.499 8 I HA 0.310 4.480 4.170 -0.001 0.000 0.288 8 I C -0.805 175.275 176.117 -0.062 0.000 1.048 8 I CA -0.697 60.572 61.300 -0.051 0.000 1.062 8 I CB 2.234 40.217 38.000 -0.029 0.000 1.238 8 I HN 0.585 nan 8.210 nan 0.000 0.426 9 E N 3.717 123.869 120.200 -0.079 0.000 2.277 9 E HA 0.603 4.953 4.350 -0.001 0.000 0.266 9 E C -1.240 175.207 176.600 -0.254 0.000 0.901 9 E CA -0.762 55.519 56.400 -0.198 0.000 0.782 9 E CB 2.437 31.977 29.700 -0.267 0.000 1.228 9 E HN 0.454 nan 8.360 nan 0.000 0.424 10 S N 1.390 116.857 115.700 -0.389 0.000 2.532 10 S HA 0.701 5.171 4.470 -0.001 0.000 0.301 10 S C -1.059 173.233 174.600 -0.512 0.000 1.083 10 S CA -0.754 57.299 58.200 -0.246 0.000 1.025 10 S CB 0.558 63.717 63.200 -0.068 0.000 1.056 10 S HN 0.338 nan 8.310 nan 0.000 0.494 11 F N 0.224 120.266 119.950 0.152 0.000 2.626 11 F HA 0.578 5.104 4.527 -0.001 0.000 0.311 11 F C 0.564 176.441 175.800 0.127 0.000 1.088 11 F CA -0.979 57.111 58.000 0.149 0.000 0.949 11 F CB 1.789 40.888 39.000 0.166 0.000 1.322 11 F HN 0.558 nan 8.300 nan 0.000 0.461 12 T N 0.024 114.760 114.554 0.304 0.000 2.944 12 T HA 0.796 5.145 4.350 -0.001 0.000 0.284 12 T C -1.359 173.447 174.700 0.177 0.000 1.010 12 T CA -0.752 61.475 62.100 0.212 0.000 1.025 12 T CB 2.008 70.974 68.868 0.162 0.000 1.079 12 T HN 0.631 nan 8.240 nan 0.000 0.516 13 L N 0.825 122.116 121.223 0.112 0.000 2.516 13 L HA 0.543 4.883 4.340 -0.001 0.000 0.267 13 L C -0.577 176.312 176.870 0.030 0.000 0.957 13 L CA -0.218 54.649 54.840 0.046 0.000 0.860 13 L CB 2.100 44.160 42.059 0.002 0.000 1.265 13 L HN 0.877 nan 8.230 nan 0.000 0.403 14 T N 5.933 120.490 114.554 0.005 0.000 2.817 14 T HA 0.582 4.931 4.350 -0.001 0.000 0.293 14 T C -0.048 174.635 174.700 -0.029 0.000 0.964 14 T CA -0.042 62.055 62.100 -0.004 0.000 1.085 14 T CB 0.398 69.230 68.868 -0.060 0.000 0.921 14 T HN 0.471 nan 8.240 nan 0.000 0.502 15 L N 4.940 126.167 121.223 0.006 0.000 2.334 15 L HA 0.442 4.781 4.340 -0.001 0.000 0.275 15 L C -2.027 174.852 176.870 0.014 0.000 1.036 15 L CA -2.552 52.286 54.840 -0.003 0.000 0.807 15 L CB 0.820 42.882 42.059 0.005 0.000 1.231 15 L HN 0.366 nan 8.230 nan 0.000 0.438 16 P HA -0.030 nan 4.420 nan 0.000 0.261 16 P C -0.617 176.719 177.300 0.060 0.000 1.173 16 P CA -0.255 62.853 63.100 0.014 0.000 0.760 16 P CB 0.304 32.005 31.700 0.002 0.000 0.783 17 R N 3.560 124.119 120.500 0.098 0.000 2.480 17 R HA 0.040 4.380 4.340 -0.001 0.000 0.303 17 R C 0.389 176.737 176.300 0.079 0.000 0.985 17 R CA 0.883 57.060 56.100 0.128 0.000 1.051 17 R CB -0.284 30.117 30.300 0.169 0.000 0.935 17 R HN 0.393 nan 8.270 nan 0.000 0.410 18 E N 2.046 122.289 120.200 0.071 0.000 2.259 18 E HA 0.263 4.613 4.350 -0.001 0.000 0.257 18 E C -0.460 176.168 176.600 0.047 0.000 0.998 18 E CA -0.767 55.664 56.400 0.052 0.000 0.866 18 E CB 1.228 30.953 29.700 0.041 0.000 1.220 18 E HN 0.532 nan 8.360 nan 0.000 0.415 19 T N 3.585 118.163 114.554 0.040 0.000 2.752 19 T HA 0.255 4.604 4.350 -0.001 0.000 0.295 19 T C -2.146 172.576 174.700 0.036 0.000 0.923 19 T CA -1.003 61.116 62.100 0.032 0.000 1.112 19 T CB 0.305 69.192 68.868 0.032 0.000 0.884 19 T HN 0.109 nan 8.240 nan 0.000 0.525 20 P HA 0.116 nan 4.420 nan 0.000 0.272 20 P C 0.460 177.809 177.300 0.081 0.000 1.230 20 P CA -0.560 62.571 63.100 0.053 0.000 0.788 20 P CB 0.581 32.271 31.700 -0.017 0.000 0.949 21 Y N 1.242 121.548 120.300 0.011 0.000 2.193 21 Y HA -0.158 4.391 4.550 -0.000 0.000 0.285 21 Y C 1.339 177.243 175.900 0.006 0.000 1.166 21 Y CA 1.594 59.712 58.100 0.031 0.000 1.181 21 Y CB -0.004 38.522 38.460 0.110 0.000 0.976 21 Y HN 0.174 nan 8.280 nan 0.000 0.520 22 L N -0.013 121.210 121.223 0.000 0.000 2.818 22 L HA 0.383 4.722 4.340 -0.001 0.000 0.243 22 L C 0.514 177.332 176.870 -0.086 0.000 1.185 22 L CA 0.227 55.015 54.840 -0.086 0.000 0.988 22 L CB -0.161 41.870 42.059 -0.047 0.000 1.292 22 L HN 0.392 nan 8.230 nan 0.000 0.519 23 G N -0.791 107.966 108.800 -0.072 0.000 2.371 23 G HA2 0.230 4.190 3.960 -0.001 0.000 0.663 23 G HA3 0.230 4.190 3.960 -0.001 0.000 0.663 23 G C -0.033 174.837 174.900 -0.050 0.000 1.311 23 G CA -0.241 44.826 45.100 -0.056 0.000 0.985 23 G HN 0.150 nan 8.290 nan 0.000 0.566 24 K N -1.806 118.571 120.400 -0.038 0.000 3.353 24 K HA 0.066 4.385 4.320 -0.001 0.000 0.272 24 K C -1.407 175.169 176.600 -0.040 0.000 1.071 24 K CA 1.836 58.104 56.287 -0.032 0.000 0.789 24 K CB -2.666 29.817 32.500 -0.028 0.000 1.325 24 K HN 1.521 nan 8.250 nan 0.000 0.464 25 P HA 0.561 nan 4.420 nan 0.000 0.276 25 P C 0.682 177.966 177.300 -0.027 0.000 1.235 25 P CA 0.157 63.229 63.100 -0.047 0.000 0.772 25 P CB 1.134 32.801 31.700 -0.055 0.000 0.871 26 R N 4.624 125.112 120.500 -0.019 0.000 2.649 26 R HA 0.447 4.787 4.340 -0.001 0.000 0.270 26 R C -2.166 174.132 176.300 -0.004 0.000 1.105 26 R CA -1.312 54.782 56.100 -0.009 0.000 1.193 26 R CB -1.789 28.508 30.300 -0.005 0.000 1.120 26 R HN 0.514 nan 8.270 nan 0.000 0.561 27 P HA 0.298 nan 4.420 nan 0.000 0.275 27 P C 0.460 177.764 177.300 0.008 0.000 1.228 27 P CA 1.002 64.104 63.100 0.003 0.000 0.786 27 P CB 1.245 32.947 31.700 0.003 0.000 0.927 28 G N 1.804 110.611 108.800 0.011 0.000 2.141 28 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.231 28 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.231 28 G C 0.114 175.028 174.900 0.023 0.000 0.984 28 G CA -0.225 44.886 45.100 0.017 0.000 0.660 28 G HN 0.615 nan 8.290 nan 0.000 0.525 29 E N 0.376 120.588 120.200 0.021 0.000 3.575 29 E HA 0.459 4.809 4.350 -0.001 0.000 0.201 29 E C 0.550 177.166 176.600 0.026 0.000 0.999 29 E CA 0.429 56.847 56.400 0.029 0.000 1.315 29 E CB 0.437 30.150 29.700 0.021 0.000 1.146 29 E HN 0.730 nan 8.360 nan 0.000 0.453 30 E N 2.449 122.663 120.200 0.023 0.000 2.301 30 E HA 0.272 4.621 4.350 -0.001 0.000 0.275 30 E C -2.430 174.187 176.600 0.028 0.000 1.030 30 E CA -2.130 54.279 56.400 0.015 0.000 0.852 30 E CB -0.305 29.401 29.700 0.010 0.000 1.060 30 E HN -0.079 nan 8.360 nan 0.000 0.401 31 P HA 0.020 nan 4.420 nan 0.000 0.267 31 P C -0.554 176.765 177.300 0.031 0.000 1.200 31 P CA -0.185 62.930 63.100 0.024 0.000 0.772 31 P CB 0.502 32.182 31.700 -0.032 0.000 0.855 32 N N 0.733 119.470 118.700 0.061 0.000 2.364 32 N HA 0.078 4.817 4.740 -0.001 0.000 0.264 32 N C 1.671 177.203 175.510 0.037 0.000 1.263 32 N CA 0.007 53.093 53.050 0.059 0.000 0.959 32 N CB -1.054 37.488 38.487 0.091 0.000 1.204 32 N HN 0.408 nan 8.380 nan 0.000 0.550 33 G N -0.847 107.976 108.800 0.039 0.000 2.517 33 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.222 33 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.222 33 G C 1.239 176.148 174.900 0.015 0.000 1.109 33 G CA 0.486 45.602 45.100 0.027 0.000 0.746 33 G HN 0.598 nan 8.290 nan 0.000 0.576 34 R N -0.494 120.022 120.500 0.026 0.000 2.334 34 R HA 0.252 4.591 4.340 -0.001 0.000 0.216 34 R C 1.671 177.856 176.300 -0.192 0.000 0.905 34 R CA 0.518 56.611 56.100 -0.012 0.000 1.064 34 R CB 0.342 30.703 30.300 0.102 0.000 1.046 34 R HN 0.401 nan 8.270 nan 0.000 0.508 35 G N 0.063 108.764 108.800 -0.166 0.000 2.179 35 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 35 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 35 G C -0.404 174.329 174.900 -0.279 0.000 0.990 35 G CA -0.404 44.538 45.100 -0.265 0.000 0.646 35 G HN 0.214 nan 8.290 nan 0.000 0.517 36 Y N 1.642 121.965 120.300 0.038 0.000 2.342 36 Y HA 0.713 5.263 4.550 -0.001 0.000 0.334 36 Y C 0.717 176.652 175.900 0.060 0.000 1.067 36 Y CA -1.170 56.964 58.100 0.057 0.000 1.128 36 Y CB 1.309 39.805 38.460 0.061 0.000 1.200 36 Y HN 0.332 nan 8.280 nan 0.000 0.464 37 L N 1.226 122.604 121.223 0.259 0.000 2.301 37 L HA 0.895 5.234 4.340 -0.001 0.000 0.264 37 L C -1.287 175.718 176.870 0.226 0.000 1.016 37 L CA -1.260 53.692 54.840 0.186 0.000 0.821 37 L CB 1.337 43.466 42.059 0.117 0.000 1.346 37 L HN 0.331 nan 8.230 nan 0.000 0.429 38 V N 1.269 121.286 119.914 0.172 0.000 2.487 38 V HA 0.500 4.619 4.120 -0.001 0.000 0.298 38 V C 0.175 176.370 176.094 0.168 0.000 1.028 38 V CA -0.557 61.854 62.300 0.184 0.000 0.860 38 V CB 1.674 33.567 31.823 0.116 0.000 0.991 38 V HN 0.759 nan 8.190 nan 0.000 0.427 39 R N 2.622 123.264 120.500 0.236 0.000 2.438 39 R HA 0.299 4.639 4.340 -0.001 0.000 0.287 39 R C 0.918 177.294 176.300 0.127 0.000 1.077 39 R CA -0.232 55.961 56.100 0.154 0.000 1.034 39 R CB 0.622 31.026 30.300 0.174 0.000 0.993 39 R HN 0.494 nan 8.270 nan 0.000 0.459 40 K N 2.356 122.804 120.400 0.080 0.000 2.155 40 K HA 0.014 4.333 4.320 -0.001 0.000 0.203 40 K C 1.553 178.196 176.600 0.072 0.000 1.052 40 K CA 1.567 57.893 56.287 0.066 0.000 0.948 40 K CB -0.021 32.505 32.500 0.043 0.000 0.728 40 K HN 0.678 nan 8.250 nan 0.000 0.448 41 A N 1.517 124.380 122.820 0.072 0.000 2.125 41 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 41 A C 0.974 178.630 177.584 0.120 0.000 1.156 41 A CA 1.900 53.978 52.037 0.068 0.000 0.671 41 A CB -0.408 18.610 19.000 0.031 0.000 0.794 41 A HN 0.538 nan 8.150 nan 0.000 0.459 42 N N -2.945 115.858 118.700 0.172 0.000 2.039 42 N HA 0.009 4.749 4.740 -0.001 0.000 0.228 42 N C 0.004 175.611 175.510 0.161 0.000 1.369 42 N CA 0.083 53.272 53.050 0.232 0.000 0.806 42 N CB -0.373 38.362 38.487 0.413 0.000 1.190 42 N HN 0.332 nan 8.380 nan 0.000 0.506 43 R N -0.278 120.297 120.500 0.126 0.000 3.387 43 R HA -0.141 4.198 4.340 -0.001 0.000 0.254 43 R C -0.829 175.512 176.300 0.070 0.000 1.006 43 R CA 1.209 57.360 56.100 0.084 0.000 0.677 43 R CB -2.903 27.425 30.300 0.047 0.000 1.063 43 R HN 0.312 nan 8.270 nan 0.000 0.453 44 T N 0.005 114.633 114.554 0.123 0.000 2.856 44 T HA 0.424 4.774 4.350 -0.001 0.000 0.283 44 T C -0.212 174.502 174.700 0.025 0.000 1.008 44 T CA -0.599 61.519 62.100 0.030 0.000 0.997 44 T CB 2.756 71.639 68.868 0.026 0.000 0.992 44 T HN 0.097 nan 8.240 nan 0.000 0.454 45 V N 3.808 123.643 119.914 -0.133 0.000 2.546 45 V HA 0.561 4.680 4.120 -0.001 0.000 0.284 45 V C -1.549 174.413 176.094 -0.220 0.000 1.050 45 V CA -0.164 62.096 62.300 -0.068 0.000 0.981 45 V CB 0.357 32.116 31.823 -0.106 0.000 0.990 45 V HN 0.820 nan 8.190 nan 0.000 0.474 46 Y N 6.743 127.138 120.300 0.158 0.000 2.477 46 Y HA 0.568 5.118 4.550 -0.001 0.000 0.347 46 Y C -2.202 173.849 175.900 0.250 0.000 0.981 46 Y CA -2.182 56.030 58.100 0.187 0.000 1.033 46 Y CB 2.458 40.999 38.460 0.135 0.000 1.245 46 Y HN 0.505 nan 8.280 nan 0.000 0.455 47 P HA 0.134 nan 4.420 nan 0.000 0.276 47 P C 0.086 177.421 177.300 0.058 0.000 1.252 47 P CA -0.218 63.010 63.100 0.214 0.000 0.802 47 P CB 1.536 33.365 31.700 0.215 0.000 1.035 48 T N -0.302 114.169 114.554 -0.137 0.000 2.777 48 T HA 0.017 4.366 4.350 -0.001 0.000 0.266 48 T C 0.463 174.873 174.700 -0.484 0.000 1.040 48 T CA 1.575 63.455 62.100 -0.366 0.000 1.141 48 T CB -0.447 68.066 68.868 -0.591 0.000 0.868 48 T HN 0.310 nan 8.240 nan 0.000 0.444 49 F N 1.205 121.177 119.950 0.036 0.000 2.522 49 F HA 0.447 4.974 4.527 -0.001 0.000 0.324 49 F C 0.204 176.043 175.800 0.066 0.000 1.077 49 F CA -2.058 55.967 58.000 0.043 0.000 0.944 49 F CB 0.857 39.872 39.000 0.025 0.000 1.175 49 F HN -0.160 nan 8.300 nan 0.000 0.468 50 D N 1.463 122.021 120.400 0.263 0.000 2.339 50 D HA 0.405 5.045 4.640 -0.001 0.000 0.245 50 D C -0.256 176.134 176.300 0.151 0.000 1.115 50 D CA 0.084 54.191 54.000 0.180 0.000 0.917 50 D CB 1.246 42.125 40.800 0.132 0.000 1.192 50 D HN 0.493 nan 8.370 nan 0.000 0.428 51 R N -0.050 120.524 120.500 0.123 0.000 2.579 51 R HA 0.366 4.705 4.340 -0.001 0.000 0.260 51 R C -1.454 174.908 176.300 0.102 0.000 1.103 51 R CA -0.458 55.711 56.100 0.116 0.000 0.942 51 R CB 1.144 31.537 30.300 0.155 0.000 1.251 51 R HN 0.570 nan 8.270 nan 0.000 0.450 52 S N 1.213 116.969 115.700 0.094 0.000 2.627 52 S HA 0.639 5.108 4.470 -0.001 0.000 0.283 52 S C -1.056 173.634 174.600 0.151 0.000 1.127 52 S CA -0.799 57.472 58.200 0.119 0.000 0.863 52 S CB 2.062 65.315 63.200 0.088 0.000 1.121 52 S HN 0.235 nan 8.310 nan 0.000 0.479 53 V N 1.719 121.747 119.914 0.190 0.000 2.394 53 V HA 0.551 4.671 4.120 -0.001 0.000 0.282 53 V C -0.884 175.353 176.094 0.238 0.000 1.031 53 V CA -0.460 61.965 62.300 0.207 0.000 0.881 53 V CB 0.856 32.796 31.823 0.194 0.000 0.982 53 V HN 0.762 nan 8.190 nan 0.000 0.451 54 L N 5.254 126.656 121.223 0.298 0.000 2.362 54 L HA 0.684 5.024 4.340 -0.001 0.000 0.271 54 L C -0.438 176.725 176.870 0.489 0.000 1.002 54 L CA -0.296 54.772 54.840 0.380 0.000 0.818 54 L CB 2.240 44.515 42.059 0.359 0.000 1.298 54 L HN 0.375 nan 8.230 nan 0.000 0.420 55 V N 3.094 123.263 119.914 0.426 0.000 2.487 55 V HA 0.553 4.672 4.120 -0.001 0.000 0.298 55 V C -0.363 175.837 176.094 0.177 0.000 1.028 55 V CA -0.723 61.752 62.300 0.292 0.000 0.860 55 V CB 1.951 33.876 31.823 0.169 0.000 0.991 55 V HN 0.670 nan 8.190 nan 0.000 0.427 56 R N 5.289 125.794 120.500 0.008 0.000 2.343 56 R HA 0.661 5.001 4.340 -0.001 0.000 0.320 56 R C -1.445 174.674 176.300 -0.302 0.000 0.956 56 R CA -0.523 55.254 56.100 -0.537 0.000 0.836 56 R CB 1.117 31.023 30.300 -0.657 0.000 1.151 56 R HN 0.698 nan 8.270 nan 0.000 0.450 57 I N 3.611 123.983 120.570 -0.329 0.000 2.382 57 I HA 0.255 4.425 4.170 -0.001 0.000 0.286 57 I C -0.184 175.818 176.117 -0.192 0.000 1.002 57 I CA -0.570 60.617 61.300 -0.188 0.000 1.135 57 I CB 1.911 39.838 38.000 -0.120 0.000 1.288 57 I HN 0.560 nan 8.210 nan 0.000 0.448 58 E N 5.044 125.160 120.200 -0.139 0.000 2.191 58 E HA 0.383 4.732 4.350 -0.001 0.000 0.278 58 E C -0.323 176.232 176.600 -0.076 0.000 0.972 58 E CA -0.516 55.819 56.400 -0.108 0.000 0.804 58 E CB 1.597 31.247 29.700 -0.084 0.000 1.110 58 E HN 0.678 nan 8.360 nan 0.000 0.394 59 T N 0.852 115.367 114.554 -0.065 0.000 2.824 59 T HA 0.155 4.505 4.350 -0.001 0.000 0.277 59 T C 1.086 175.767 174.700 -0.032 0.000 0.975 59 T CA -0.495 61.576 62.100 -0.048 0.000 0.966 59 T CB 1.152 69.994 68.868 -0.044 0.000 1.054 59 T HN 0.510 nan 8.240 nan 0.000 0.533 60 E N 0.490 120.677 120.200 -0.022 0.000 2.097 60 E HA -0.157 4.193 4.350 -0.001 0.000 0.196 60 E C 1.918 178.513 176.600 -0.009 0.000 1.000 60 E CA 1.601 57.992 56.400 -0.014 0.000 0.804 60 E CB -0.193 29.502 29.700 -0.008 0.000 0.740 60 E HN 0.600 nan 8.360 nan 0.000 0.454 61 N N -1.308 117.388 118.700 -0.006 0.000 2.354 61 N HA 0.006 4.746 4.740 -0.001 0.000 0.179 61 N C 0.952 176.460 175.510 -0.003 0.000 1.021 61 N CA 1.251 54.301 53.050 -0.001 0.000 0.887 61 N CB 0.619 39.110 38.487 0.007 0.000 0.974 61 N HN 0.293 nan 8.380 nan 0.000 0.437 62 G N -1.023 107.771 108.800 -0.011 0.000 2.148 62 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.157 62 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.157 62 G C 0.029 174.920 174.900 -0.015 0.000 1.012 62 G CA -0.042 45.051 45.100 -0.012 0.000 0.677 62 G HN 0.566 nan 8.290 nan 0.000 0.506 63 A N -0.218 122.590 122.820 -0.020 0.000 2.425 63 A HA 0.731 5.051 4.320 -0.001 0.000 0.249 63 A C 0.256 177.807 177.584 -0.055 0.000 1.084 63 A CA 0.226 52.248 52.037 -0.024 0.000 0.781 63 A CB 1.175 20.162 19.000 -0.021 0.000 1.019 63 A HN 1.165 nan 8.150 nan 0.000 0.490 64 V N 1.804 121.685 119.914 -0.054 0.000 2.531 64 V HA 0.678 4.798 4.120 -0.001 0.000 0.301 64 V C 0.607 176.621 176.094 -0.134 0.000 1.034 64 V CA 0.019 62.243 62.300 -0.127 0.000 0.865 64 V CB 1.825 33.586 31.823 -0.103 0.000 0.995 64 V HN 1.228 nan 8.190 nan 0.000 0.424 65 G N 2.945 111.604 108.800 -0.235 0.000 2.495 65 G HA2 0.637 4.597 3.960 -0.001 0.000 0.318 65 G HA3 0.637 4.597 3.960 -0.001 0.000 0.318 65 G C -1.848 172.897 174.900 -0.258 0.000 1.257 65 G CA -0.525 44.492 45.100 -0.138 0.000 0.962 65 G HN 0.577 nan 8.290 nan 0.000 0.483 66 W N 0.669 121.990 121.300 0.034 0.000 2.573 66 W HA 0.649 5.309 4.660 0.000 0.000 0.326 66 W C 0.414 176.970 176.519 0.062 0.000 1.049 66 W CA -0.405 56.966 57.345 0.044 0.000 1.220 66 W CB 2.850 32.317 29.460 0.012 0.000 1.373 66 W HN 0.803 nan 8.180 nan 0.000 0.507 67 G N 1.279 110.284 108.800 0.342 0.000 2.605 67 G HA2 0.680 4.640 3.960 -0.001 0.000 0.296 67 G HA3 0.680 4.640 3.960 -0.001 0.000 0.296 67 G C -1.914 173.160 174.900 0.290 0.000 1.304 67 G CA -0.625 44.635 45.100 0.266 0.000 0.941 67 G HN 0.383 nan 8.290 nan 0.000 0.475 68 E N -0.806 119.562 120.200 0.281 0.000 2.354 68 E HA 0.540 4.890 4.350 -0.001 0.000 0.283 68 E C -1.375 175.490 176.600 0.442 0.000 0.938 68 E CA -0.571 56.016 56.400 0.312 0.000 0.777 68 E CB 2.536 32.346 29.700 0.184 0.000 1.222 68 E HN 0.563 nan 8.360 nan 0.000 0.423 69 T N 1.462 116.243 114.554 0.379 0.000 2.669 69 T HA 0.411 4.761 4.350 -0.001 0.000 0.283 69 T C -1.109 173.791 174.700 0.334 0.000 1.019 69 T CA -0.386 61.906 62.100 0.320 0.000 1.039 69 T CB 0.301 69.302 68.868 0.222 0.000 1.374 69 T HN 0.343 nan 8.240 nan 0.000 0.523 70 Y N 0.263 120.575 120.300 0.020 0.000 2.702 70 Y HA 0.407 4.956 4.550 -0.001 0.000 0.336 70 Y C 1.500 177.476 175.900 0.126 0.000 1.235 70 Y CA 1.133 59.257 58.100 0.039 0.000 1.492 70 Y CB 0.531 38.937 38.460 -0.091 0.000 1.308 70 Y HN 0.734 nan 8.280 nan 0.000 0.589 71 G N 2.299 111.242 108.800 0.239 0.000 4.165 71 G HA2 0.103 4.062 3.960 -0.001 0.000 0.287 71 G HA3 0.103 4.062 3.960 -0.001 0.000 0.287 71 G C 0.782 175.821 174.900 0.231 0.000 1.019 71 G CA -0.198 45.038 45.100 0.227 0.000 0.806 71 G HN 0.487 nan 8.290 nan 0.000 0.447 72 L N 0.639 122.011 121.223 0.249 0.000 1.994 72 L HA 0.154 4.493 4.340 -0.001 0.000 0.208 72 L C 1.019 178.076 176.870 0.310 0.000 1.071 72 L CA 1.384 56.376 54.840 0.253 0.000 0.745 72 L CB -0.459 41.749 42.059 0.249 0.000 0.892 72 L HN 0.040 nan 8.230 nan 0.000 0.431 73 V N -1.155 118.932 119.914 0.290 0.000 2.487 73 V HA 0.662 4.782 4.120 -0.001 0.000 0.298 73 V C 0.405 176.699 176.094 0.334 0.000 1.028 73 V CA -1.104 61.367 62.300 0.284 0.000 0.860 73 V CB 1.065 32.936 31.823 0.079 0.000 0.991 73 V HN 0.349 nan 8.190 nan 0.000 0.427 74 A N 6.167 129.171 122.820 0.307 0.000 2.466 74 A HA -0.108 4.211 4.320 -0.001 0.000 0.295 74 A C -0.652 177.054 177.584 0.203 0.000 1.465 74 A CA 0.842 53.005 52.037 0.209 0.000 0.744 74 A CB -1.166 17.879 19.000 0.074 0.000 1.098 74 A HN 0.770 nan 8.150 nan 0.000 0.402 75 P HA -0.167 nan 4.420 nan 0.000 0.222 75 P C 1.390 178.725 177.300 0.057 0.000 1.147 75 P CA 1.118 64.325 63.100 0.179 0.000 0.790 75 P CB 0.002 31.806 31.700 0.174 0.000 0.780 76 R N -0.085 120.431 120.500 0.026 0.000 2.120 76 R HA -0.056 4.284 4.340 -0.001 0.000 0.234 76 R C 2.433 178.650 176.300 -0.138 0.000 1.123 76 R CA 1.340 57.393 56.100 -0.078 0.000 0.975 76 R CB -0.737 29.590 30.300 0.045 0.000 0.866 76 R HN 0.158 nan 8.270 nan 0.000 0.446 77 A N 0.534 123.289 122.820 -0.108 0.000 1.858 77 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 77 A C 1.318 178.833 177.584 -0.116 0.000 1.190 77 A CA 1.416 53.338 52.037 -0.193 0.000 0.617 77 A CB -0.646 18.061 19.000 -0.489 0.000 0.827 77 A HN 0.255 nan 8.150 nan 0.000 0.443 81 I N 1.261 121.833 120.570 0.005 0.000 2.315 81 I HA -0.150 4.020 4.170 -0.001 0.000 0.248 81 I C 2.002 178.150 176.117 0.051 0.000 1.117 81 I CA 1.180 62.509 61.300 0.048 0.000 1.404 81 I CB -0.187 37.870 38.000 0.094 0.000 1.071 81 I HN 0.179 nan 8.210 nan 0.000 0.419 82 I N 0.523 121.111 120.570 0.029 0.000 2.110 82 I HA -0.263 3.906 4.170 -0.001 0.000 0.236 82 I C 2.121 178.266 176.117 0.047 0.000 1.068 82 I CA 1.422 62.742 61.300 0.033 0.000 1.333 82 I CB -0.519 37.494 38.000 0.022 0.000 1.054 82 I HN 0.161 nan 8.210 nan 0.000 0.402 83 D N 0.510 120.943 120.400 0.055 0.000 2.117 83 D HA -0.228 4.412 4.640 -0.001 0.000 0.197 83 D C 1.745 178.079 176.300 0.058 0.000 0.987 83 D CA 1.632 55.673 54.000 0.070 0.000 0.829 83 D CB -0.461 40.428 40.800 0.149 0.000 0.961 83 D HN 0.366 nan 8.370 nan 0.000 0.460 84 D N -1.088 119.351 120.400 0.066 0.000 2.137 84 D HA -0.058 4.582 4.640 -0.001 0.000 0.202 84 D C 1.761 178.105 176.300 0.073 0.000 0.970 84 D CA 0.509 54.541 54.000 0.054 0.000 0.837 84 D CB 0.268 41.095 40.800 0.045 0.000 0.981 84 D HN 0.082 nan 8.370 nan 0.000 0.475 85 L N -0.854 120.429 121.223 0.100 0.000 2.541 85 L HA 0.304 4.643 4.340 -0.001 0.000 0.187 85 L C 1.677 178.695 176.870 0.247 0.000 1.098 85 L CA 0.556 55.499 54.840 0.172 0.000 0.846 85 L CB -0.404 41.743 42.059 0.147 0.000 1.151 85 L HN 0.013 nan 8.230 nan 0.000 0.492 86 L N 0.177 121.500 121.223 0.167 0.000 2.109 86 L HA 0.004 4.344 4.340 -0.001 0.000 0.207 86 L C 2.712 179.677 176.870 0.158 0.000 1.086 86 L CA 0.980 55.920 54.840 0.168 0.000 0.760 86 L CB -1.017 41.081 42.059 0.065 0.000 0.910 86 L HN 0.387 nan 8.230 nan 0.000 0.437 87 A N 0.597 123.471 122.820 0.090 0.000 1.869 87 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 87 A C 1.875 179.471 177.584 0.019 0.000 1.203 87 A CA 2.370 54.433 52.037 0.042 0.000 0.638 87 A CB -0.790 18.219 19.000 0.015 0.000 0.831 87 A HN 0.385 nan 8.150 nan 0.000 0.450 88 D N -1.456 118.931 120.400 -0.021 0.000 2.351 88 D HA -0.068 4.572 4.640 -0.001 0.000 0.216 88 D C 1.011 177.140 176.300 -0.284 0.000 0.968 88 D CA 0.845 54.747 54.000 -0.162 0.000 0.899 88 D CB -0.278 40.377 40.800 -0.242 0.000 0.907 88 D HN 0.535 nan 8.370 nan 0.000 0.514 89 F N -0.260 119.691 119.950 0.002 0.000 2.721 89 F HA 0.095 4.621 4.527 -0.002 0.000 0.301 89 F C 2.180 177.981 175.800 0.002 0.000 1.096 89 F CA 0.403 58.406 58.000 0.005 0.000 1.308 89 F CB 0.386 39.395 39.000 0.014 0.000 1.086 89 F HN -0.166 nan 8.300 nan 0.000 0.587 90 T N -0.171 114.461 114.554 0.130 0.000 3.010 90 T HA 0.205 4.555 4.350 -0.001 0.000 0.252 90 T C 0.976 175.690 174.700 0.023 0.000 1.047 90 T CA 0.140 62.283 62.100 0.072 0.000 1.140 90 T CB -0.010 68.888 68.868 0.050 0.000 0.885 90 T HN -0.135 nan 8.240 nan 0.000 0.464 91 I N 1.906 122.475 120.570 -0.003 0.000 2.752 91 I HA 0.197 4.366 4.170 -0.001 0.000 0.289 91 I C 1.658 177.761 176.117 -0.024 0.000 1.197 91 I CA 1.084 62.368 61.300 -0.026 0.000 1.432 91 I CB 0.300 38.273 38.000 -0.045 0.000 1.359 91 I HN 0.536 nan 8.210 nan 0.000 0.571 92 G N 4.902 113.690 108.800 -0.020 0.000 2.258 92 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.233 92 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.233 92 G C 0.500 175.399 174.900 -0.001 0.000 1.006 92 G CA -0.542 44.550 45.100 -0.013 0.000 0.620 92 G HN 0.495 nan 8.290 nan 0.000 0.511 93 R N 1.132 121.634 120.500 0.003 0.000 2.560 93 R HA 0.463 4.802 4.340 -0.001 0.000 0.270 93 R C -0.559 175.737 176.300 -0.006 0.000 1.074 93 R CA -0.404 55.701 56.100 0.008 0.000 1.140 93 R CB 0.431 30.741 30.300 0.017 0.000 1.073 93 R HN 0.345 nan 8.270 nan 0.000 0.527 94 D N 1.149 121.550 120.400 0.003 0.000 2.277 94 D HA 0.187 4.827 4.640 -0.001 0.000 0.249 94 D C -1.710 174.558 176.300 -0.055 0.000 1.134 94 D CA -2.325 51.682 54.000 0.012 0.000 0.863 94 D CB 1.338 42.182 40.800 0.074 0.000 1.143 94 D HN 0.032 nan 8.370 nan 0.000 0.458 95 P HA -0.125 nan 4.420 nan 0.000 0.217 95 P C 0.795 177.824 177.300 -0.451 0.000 1.148 95 P CA 1.001 63.905 63.100 -0.327 0.000 0.828 95 P CB -0.031 31.413 31.700 -0.427 0.000 0.783 96 F N -0.801 119.045 119.950 -0.172 0.000 2.699 96 F HA -0.059 4.470 4.527 0.003 0.000 0.298 96 F C 1.356 177.026 175.800 -0.217 0.000 1.154 96 F CA 0.978 58.858 58.000 -0.201 0.000 1.457 96 F CB -0.664 38.269 39.000 -0.113 0.000 1.106 96 F HN -0.068 nan 8.300 nan 0.000 0.585 97 D N -0.357 120.006 120.400 -0.061 0.000 2.340 97 D HA 0.185 4.825 4.640 -0.001 0.000 0.217 97 D C 2.147 178.364 176.300 -0.138 0.000 1.081 97 D CA 0.462 54.423 54.000 -0.066 0.000 0.842 97 D CB -0.051 40.742 40.800 -0.010 0.000 0.934 97 D HN 0.149 nan 8.370 nan 0.000 0.511 98 A N 1.380 124.008 122.820 -0.320 0.000 1.929 98 A HA -0.288 4.032 4.320 -0.001 0.000 0.221 98 A C 2.286 179.801 177.584 -0.114 0.000 1.211 98 A CA 2.469 54.288 52.037 -0.364 0.000 0.657 98 A CB -0.575 17.873 19.000 -0.921 0.000 0.827 98 A HN 0.308 nan 8.150 nan 0.000 0.462 99 A N -0.976 121.801 122.820 -0.072 0.000 1.929 99 A HA 0.298 4.618 4.320 -0.001 0.000 0.216 99 A C 2.472 180.147 177.584 0.151 0.000 1.176 99 A CA 1.829 53.962 52.037 0.160 0.000 0.628 99 A CB -0.864 18.283 19.000 0.244 0.000 0.816 99 A HN 1.161 nan 8.150 nan 0.000 0.444 100 A N 0.021 122.889 122.820 0.080 0.000 1.929 100 A HA 0.009 4.329 4.320 -0.001 0.000 0.216 100 A C 2.061 179.696 177.584 0.085 0.000 1.176 100 A CA 1.262 53.347 52.037 0.081 0.000 0.628 100 A CB -0.555 18.476 19.000 0.052 0.000 0.816 100 A HN 0.479 nan 8.150 nan 0.000 0.444 101 I N -1.154 119.456 120.570 0.068 0.000 2.127 101 I HA -0.314 3.856 4.170 -0.001 0.000 0.241 101 I C 2.515 178.697 176.117 0.108 0.000 1.075 101 I CA 1.979 63.322 61.300 0.071 0.000 1.334 101 I CB -0.602 37.421 38.000 0.039 0.000 1.040 101 I HN 0.576 nan 8.210 nan 0.000 0.405 102 H N 1.358 120.465 119.070 0.061 0.000 2.289 102 H HA -0.246 4.309 4.556 -0.001 0.000 0.296 102 H C 1.870 177.270 175.328 0.119 0.000 1.091 102 H CA 2.330 58.432 56.048 0.090 0.000 1.274 102 H CB -0.169 29.655 29.762 0.105 0.000 1.364 102 H HN 0.245 nan 8.280 nan 0.000 0.490 103 D N 0.070 120.534 120.400 0.107 0.000 2.123 103 D HA -0.143 4.497 4.640 -0.001 0.000 0.196 103 D C 1.735 178.074 176.300 0.065 0.000 0.992 103 D CA 1.439 55.484 54.000 0.076 0.000 0.833 103 D CB -0.331 40.543 40.800 0.122 0.000 0.954 103 D HN 0.542 nan 8.370 nan 0.000 0.455 104 D N 0.113 120.540 120.400 0.045 0.000 2.117 104 D HA -0.069 4.571 4.640 -0.001 0.000 0.198 104 D C 2.412 178.698 176.300 -0.022 0.000 0.982 104 D CA 0.338 54.348 54.000 0.016 0.000 0.828 104 D CB -0.279 40.533 40.800 0.020 0.000 0.967 104 D HN 0.255 nan 8.370 nan 0.000 0.464 105 L N -0.275 120.938 121.223 -0.017 0.000 2.056 105 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 105 L C 2.495 179.400 176.870 0.057 0.000 1.078 105 L CA 0.889 55.714 54.840 -0.024 0.000 0.749 105 L CB -0.529 41.514 42.059 -0.027 0.000 0.901 105 L HN 0.022 nan 8.230 nan 0.000 0.433 106 Y N 1.360 121.584 120.300 -0.127 0.000 2.207 106 Y HA -0.300 4.250 4.550 -0.001 0.000 0.287 106 Y C 2.152 178.079 175.900 0.045 0.000 1.156 106 Y CA 1.776 59.874 58.100 -0.003 0.000 1.182 106 Y CB -0.217 38.140 38.460 -0.172 0.000 0.979 106 Y HN 0.222 nan 8.280 nan 0.000 0.521 107 D N 0.006 120.427 120.400 0.035 0.000 2.310 107 D HA -0.057 4.583 4.640 -0.001 0.000 0.212 107 D C 0.780 177.001 176.300 -0.132 0.000 0.965 107 D CA 0.431 54.396 54.000 -0.058 0.000 0.879 107 D CB -0.266 40.535 40.800 0.001 0.000 0.921 107 D HN 0.144 nan 8.370 nan 0.000 0.510 111 V N 0.386 120.187 119.914 -0.189 0.000 3.141 111 V HA 0.204 4.324 4.120 -0.001 0.000 0.265 111 V C 1.351 177.365 176.094 -0.134 0.000 1.126 111 V CA 1.237 63.452 62.300 -0.142 0.000 1.141 111 V CB -0.630 31.129 31.823 -0.106 0.000 0.743 111 V HN 0.257 nan 8.190 nan 0.000 0.492 112 R N 0.667 121.091 120.500 -0.126 0.000 2.359 112 R HA 0.382 4.722 4.340 -0.001 0.000 0.231 112 R C 1.562 177.643 176.300 -0.365 0.000 0.913 112 R CA 0.533 56.554 56.100 -0.132 0.000 1.075 112 R CB 0.348 30.691 30.300 0.071 0.000 1.087 112 R HN 0.725 nan 8.270 nan 0.000 0.515 113 G N 0.689 109.290 108.800 -0.332 0.000 2.143 113 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.249 113 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.249 113 G C -0.218 174.384 174.900 -0.497 0.000 0.981 113 G CA -0.251 44.614 45.100 -0.391 0.000 0.665 113 G HN 0.385 nan 8.290 nan 0.000 0.528 114 Y N 1.873 122.016 120.300 -0.262 0.000 2.830 114 Y HA 0.383 4.933 4.550 -0.001 0.000 0.371 114 Y C 2.020 177.792 175.900 -0.214 0.000 1.246 114 Y CA 0.535 58.462 58.100 -0.289 0.000 1.890 114 Y CB -0.083 38.046 38.460 -0.551 0.000 1.995 114 Y HN 0.293 nan 8.280 nan 0.000 0.430 115 T N -3.906 110.641 114.554 -0.012 0.000 3.069 115 T HA 0.473 4.822 4.350 -0.001 0.000 0.252 115 T C 1.049 175.906 174.700 0.261 0.000 1.053 115 T CA 0.339 62.506 62.100 0.111 0.000 0.964 115 T CB 0.462 69.358 68.868 0.047 0.000 1.005 115 T HN 0.483 nan 8.240 nan 0.000 0.532 116 G N -0.058 108.849 108.800 0.178 0.000 3.187 116 G HA2 0.577 4.536 3.960 -0.001 0.000 0.175 116 G HA3 0.577 4.536 3.960 -0.001 0.000 0.175 116 G C 0.643 175.615 174.900 0.120 0.000 1.112 116 G CA 0.019 45.196 45.100 0.128 0.000 0.821 116 G HN 0.633 nan 8.290 nan 0.000 0.636 117 G N -0.090 108.694 108.800 -0.025 0.000 2.661 117 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.327 117 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.327 117 G C 1.050 175.918 174.900 -0.053 0.000 1.320 117 G CA 1.306 46.341 45.100 -0.108 0.000 0.997 117 G HN 0.773 nan 8.290 nan 0.000 0.543 118 F N -0.865 119.140 119.950 0.092 0.000 2.216 118 F HA 0.085 4.611 4.527 -0.001 0.000 0.300 118 F C 2.427 178.323 175.800 0.160 0.000 1.085 118 F CA 2.009 60.077 58.000 0.114 0.000 1.326 118 F CB -0.555 38.506 39.000 0.102 0.000 1.027 118 F HN 0.419 nan 8.300 nan 0.000 0.497 119 Y N 0.501 120.953 120.300 0.252 0.000 2.114 119 Y HA -0.218 4.332 4.550 -0.001 0.000 0.284 119 Y C 2.332 178.335 175.900 0.172 0.000 1.143 119 Y CA 1.536 59.742 58.100 0.176 0.000 1.135 119 Y CB -0.683 37.874 38.460 0.161 0.000 0.980 119 Y HN -0.142 nan 8.280 nan 0.000 0.499 120 V N 0.070 120.103 119.914 0.197 0.000 2.453 120 V HA -0.230 3.890 4.120 -0.001 0.000 0.247 120 V C 1.991 178.151 176.094 0.109 0.000 1.048 120 V CA 1.798 64.179 62.300 0.134 0.000 1.049 120 V CB -0.724 31.223 31.823 0.207 0.000 0.672 120 V HN 0.291 nan 8.190 nan 0.000 0.457 121 D N 1.039 121.512 120.400 0.122 0.000 2.157 121 D HA -0.231 4.409 4.640 -0.001 0.000 0.191 121 D C 2.210 178.584 176.300 0.124 0.000 1.004 121 D CA 2.010 56.094 54.000 0.141 0.000 0.854 121 D CB -0.330 40.559 40.800 0.148 0.000 0.936 121 D HN 0.461 nan 8.370 nan 0.000 0.446 122 A N 0.092 122.963 122.820 0.086 0.000 1.898 122 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 122 A C 2.408 179.995 177.584 0.006 0.000 1.181 122 A CA 0.856 52.916 52.037 0.038 0.000 0.620 122 A CB -0.667 18.326 19.000 -0.012 0.000 0.819 122 A HN 0.241 nan 8.150 nan 0.000 0.442 123 L N -0.827 120.369 121.223 -0.045 0.000 2.141 123 L HA -0.134 4.206 4.340 -0.001 0.000 0.209 123 L C 3.029 179.986 176.870 0.146 0.000 1.094 123 L CA 0.819 55.679 54.840 0.034 0.000 0.763 123 L CB -0.521 41.571 42.059 0.055 0.000 0.908 123 L HN 0.431 nan 8.230 nan 0.000 0.437 124 A N 0.316 123.218 122.820 0.136 0.000 1.873 124 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 124 A C 2.576 180.251 177.584 0.151 0.000 1.186 124 A CA 1.671 53.791 52.037 0.138 0.000 0.616 124 A CB -0.725 18.349 19.000 0.125 0.000 0.823 124 A HN 0.365 nan 8.150 nan 0.000 0.442 125 A N -0.069 122.844 122.820 0.155 0.000 1.908 125 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 125 A C 2.149 179.826 177.584 0.156 0.000 1.181 125 A CA 1.608 53.750 52.037 0.176 0.000 0.627 125 A CB -0.613 18.494 19.000 0.178 0.000 0.818 125 A HN 0.513 nan 8.150 nan 0.000 0.445 126 I N -0.650 119.997 120.570 0.127 0.000 2.133 126 I HA -0.248 3.921 4.170 -0.001 0.000 0.238 126 I C 2.353 178.547 176.117 0.129 0.000 1.074 126 I CA 1.908 63.272 61.300 0.106 0.000 1.342 126 I CB -0.573 37.477 38.000 0.083 0.000 1.053 126 I HN 0.384 nan 8.210 nan 0.000 0.404 127 D N 1.356 121.859 120.400 0.173 0.000 2.154 127 D HA -0.240 4.399 4.640 -0.001 0.000 0.190 127 D C 2.085 178.586 176.300 0.335 0.000 1.003 127 D CA 1.822 55.970 54.000 0.246 0.000 0.849 127 D CB -0.110 40.826 40.800 0.227 0.000 0.942 127 D HN 0.299 nan 8.370 nan 0.000 0.446 128 I N 0.154 120.871 120.570 0.244 0.000 2.226 128 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 128 I C 2.475 178.720 176.117 0.214 0.000 1.100 128 I CA 1.091 62.527 61.300 0.226 0.000 1.374 128 I CB -0.336 37.769 38.000 0.174 0.000 1.057 128 I HN 0.088 nan 8.210 nan 0.000 0.413 129 A N 0.527 123.444 122.820 0.162 0.000 1.933 129 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 129 A C 2.158 179.769 177.584 0.044 0.000 1.175 129 A CA 1.335 53.432 52.037 0.100 0.000 0.628 129 A CB -0.624 18.406 19.000 0.050 0.000 0.814 129 A HN 0.277 nan 8.150 nan 0.000 0.444 130 L N -1.924 119.316 121.223 0.028 0.000 2.017 130 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 130 L C 2.269 179.042 176.870 -0.161 0.000 1.073 130 L CA 1.456 56.235 54.840 -0.101 0.000 0.745 130 L CB -1.388 40.584 42.059 -0.145 0.000 0.894 130 L HN 0.646 nan 8.230 nan 0.000 0.432 131 W N -0.148 121.115 121.300 -0.062 0.000 2.358 131 W HA -0.220 4.441 4.660 0.002 0.000 0.303 131 W C 2.551 179.028 176.519 -0.071 0.000 1.208 131 W CA 1.285 58.589 57.345 -0.069 0.000 1.274 131 W CB -0.488 28.948 29.460 -0.040 0.000 1.138 131 W HN 0.212 nan 8.180 nan 0.000 0.515 132 D N 0.101 120.611 120.400 0.183 0.000 2.106 132 D HA -0.203 4.437 4.640 -0.001 0.000 0.191 132 D C 2.081 178.392 176.300 0.020 0.000 0.997 132 D CA 1.468 55.532 54.000 0.105 0.000 0.834 132 D CB -0.423 40.446 40.800 0.114 0.000 0.956 132 D HN -0.142 nan 8.370 nan 0.000 0.448 133 L N 0.788 121.980 121.223 -0.052 0.000 1.990 133 L HA -0.122 4.217 4.340 -0.001 0.000 0.213 133 L C 2.537 179.247 176.870 -0.267 0.000 1.072 133 L CA 1.977 56.732 54.840 -0.142 0.000 0.755 133 L CB -1.558 40.395 42.059 -0.177 0.000 0.889 133 L HN 0.117 nan 8.230 nan 0.000 0.432 134 A N -0.721 121.849 122.820 -0.416 0.000 1.892 134 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 134 A C 2.422 179.858 177.584 -0.247 0.000 1.188 134 A CA 1.956 53.541 52.037 -0.753 0.000 0.631 134 A CB -1.396 17.207 19.000 -0.661 0.000 0.822 134 A HN 0.477 nan 8.150 nan 0.000 0.447 135 G N -0.408 108.372 108.800 -0.033 0.000 2.514 135 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 135 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 135 G C 1.701 176.636 174.900 0.058 0.000 1.198 135 G CA 1.249 46.391 45.100 0.071 0.000 0.780 135 G HN 0.585 nan 8.290 nan 0.000 0.565 136 K N -0.542 119.870 120.400 0.021 0.000 2.057 136 K HA 0.010 4.330 4.320 -0.001 0.000 0.207 136 K C 2.459 179.089 176.600 0.050 0.000 1.049 136 K CA 0.687 56.994 56.287 0.033 0.000 0.931 136 K CB -0.290 32.221 32.500 0.020 0.000 0.714 136 K HN 0.122 nan 8.250 nan 0.000 0.440 137 L N 0.654 121.895 121.223 0.030 0.000 2.079 137 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 137 L C 2.191 179.208 176.870 0.245 0.000 1.081 137 L CA 1.758 56.672 54.840 0.123 0.000 0.752 137 L CB -1.001 41.114 42.059 0.095 0.000 0.896 137 L HN 0.156 nan 8.230 nan 0.000 0.433 138 A N -1.761 121.237 122.820 0.297 0.000 2.195 138 A HA 0.409 4.728 4.320 -0.001 0.000 0.210 138 A C 1.616 179.285 177.584 0.140 0.000 1.165 138 A CA 0.663 52.856 52.037 0.260 0.000 0.806 138 A CB -0.426 18.780 19.000 0.343 0.000 0.847 138 A HN 0.519 nan 8.150 nan 0.000 0.482 139 G N -0.719 108.149 108.800 0.114 0.000 2.246 139 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.273 139 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.273 139 G C -0.195 174.750 174.900 0.075 0.000 1.055 139 G CA 0.580 45.727 45.100 0.078 0.000 0.851 139 G HN 0.517 nan 8.290 nan 0.000 0.500 140 L N 0.287 121.565 121.223 0.091 0.000 2.408 140 L HA 0.481 4.821 4.340 -0.001 0.000 0.268 140 L C -2.006 174.914 176.870 0.083 0.000 0.986 140 L CA -2.599 52.292 54.840 0.086 0.000 0.820 140 L CB 2.671 44.794 42.059 0.106 0.000 1.303 140 L HN -0.126 nan 8.230 nan 0.000 0.411 141 P HA -0.032 nan 4.420 nan 0.000 0.266 141 P C 0.959 178.302 177.300 0.071 0.000 1.193 141 P CA -0.117 63.016 63.100 0.055 0.000 0.770 141 P CB 1.035 32.757 31.700 0.035 0.000 0.836 142 V N 2.619 122.571 119.914 0.063 0.000 2.392 142 V HA -0.294 3.825 4.120 -0.001 0.000 0.249 142 V C 2.600 178.716 176.094 0.037 0.000 1.059 142 V CA 2.670 65.018 62.300 0.080 0.000 1.051 142 V CB -1.460 30.379 31.823 0.027 0.000 0.658 142 V HN 0.791 nan 8.190 nan 0.000 0.455 143 C N -0.492 118.808 119.300 -0.001 0.000 2.419 143 C HA -0.061 4.399 4.460 -0.001 0.000 0.281 143 C C 2.363 177.369 174.990 0.027 0.000 1.336 143 C CA 0.111 59.122 59.018 -0.012 0.000 1.770 143 C CB -1.118 26.612 27.740 -0.016 0.000 1.929 143 C HN 0.393 nan 8.230 nan 0.000 0.509 144 K N 0.964 121.395 120.400 0.052 0.000 2.504 144 K HA 0.183 4.502 4.320 -0.001 0.000 0.195 144 K C 1.579 178.239 176.600 0.100 0.000 1.036 144 K CA 0.665 56.992 56.287 0.066 0.000 0.984 144 K CB -0.222 32.317 32.500 0.065 0.000 0.788 144 K HN 0.631 nan 8.250 nan 0.000 0.488 145 L N -0.161 121.145 121.223 0.138 0.000 2.590 145 L HA 0.129 4.468 4.340 -0.001 0.000 0.227 145 L C 1.425 178.422 176.870 0.213 0.000 1.099 145 L CA 0.149 55.121 54.840 0.220 0.000 0.872 145 L CB 0.180 42.454 42.059 0.358 0.000 1.088 145 L HN -0.021 nan 8.230 nan 0.000 0.479 146 L N -0.983 120.301 121.223 0.101 0.000 2.667 146 L HA 0.372 4.711 4.340 -0.001 0.000 0.232 146 L C 1.265 178.156 176.870 0.034 0.000 1.138 146 L CA 0.544 55.406 54.840 0.035 0.000 0.921 146 L CB 0.398 42.400 42.059 -0.095 0.000 1.180 146 L HN 0.312 nan 8.230 nan 0.000 0.487 147 G N -0.991 107.838 108.800 0.048 0.000 2.421 147 G HA2 0.100 4.060 3.960 -0.001 0.000 0.188 147 G HA3 0.100 4.060 3.960 -0.001 0.000 0.188 147 G C 0.410 175.329 174.900 0.031 0.000 1.001 147 G CA -0.344 44.777 45.100 0.035 0.000 0.693 147 G HN 0.687 nan 8.290 nan 0.000 0.479 148 G N -0.946 107.873 108.800 0.032 0.000 2.334 148 G HA2 0.491 4.450 3.960 -0.001 0.000 0.566 148 G HA3 0.491 4.450 3.960 -0.001 0.000 0.566 148 G C -0.881 174.035 174.900 0.026 0.000 1.413 148 G CA 0.288 45.406 45.100 0.031 0.000 0.993 148 G HN 0.982 nan 8.290 nan 0.000 0.642 149 Q N 0.115 119.930 119.800 0.025 0.000 2.377 149 Q HA 0.503 4.843 4.340 -0.001 0.000 0.249 149 Q C 1.445 177.460 176.000 0.026 0.000 1.005 149 Q CA -0.580 55.236 55.803 0.022 0.000 0.912 149 Q CB 0.453 29.204 28.738 0.020 0.000 1.223 149 Q HN 0.555 nan 8.270 nan 0.000 0.459 150 R N 2.365 122.882 120.500 0.030 0.000 2.140 150 R HA 0.115 4.454 4.340 -0.001 0.000 0.213 150 R C 0.017 176.337 176.300 0.033 0.000 1.059 150 R CA 0.711 56.832 56.100 0.035 0.000 1.000 150 R CB 0.390 30.718 30.300 0.045 0.000 0.910 150 R HN 0.430 nan 8.270 nan 0.000 0.455 151 R N 0.104 120.623 120.500 0.033 0.000 2.888 151 R HA 0.138 4.477 4.340 -0.001 0.000 0.264 151 R C -0.280 176.035 176.300 0.024 0.000 1.045 151 R CA -0.538 55.581 56.100 0.031 0.000 0.962 151 R CB 0.598 30.923 30.300 0.041 0.000 1.210 151 R HN -0.014 nan 8.270 nan 0.000 0.479 152 D N -0.815 119.597 120.400 0.020 0.000 2.500 152 D HA 0.112 4.752 4.640 -0.001 0.000 0.217 152 D C -0.292 176.018 176.300 0.016 0.000 1.159 152 D CA -0.068 53.940 54.000 0.014 0.000 0.828 152 D CB 0.689 41.495 40.800 0.010 0.000 1.039 152 D HN 0.105 nan 8.370 nan 0.000 0.512 153 R N 0.752 121.265 120.500 0.023 0.000 2.686 153 R HA 0.504 4.843 4.340 -0.001 0.000 0.283 153 R C -0.732 175.601 176.300 0.055 0.000 0.978 153 R CA -0.673 55.444 56.100 0.028 0.000 0.897 153 R CB 2.266 32.569 30.300 0.004 0.000 1.192 153 R HN 0.035 nan 8.270 nan 0.000 0.457 154 I N 1.776 122.402 120.570 0.093 0.000 2.410 154 I HA 0.325 4.495 4.170 -0.001 0.000 0.286 154 I C 0.672 176.887 176.117 0.163 0.000 1.009 154 I CA -1.109 60.278 61.300 0.146 0.000 1.111 154 I CB 1.197 39.307 38.000 0.182 0.000 1.262 154 I HN 0.617 nan 8.210 nan 0.000 0.443 155 A N 4.954 127.850 122.820 0.127 0.000 2.586 155 A HA 0.507 4.826 4.320 -0.001 0.000 0.231 155 A C 0.404 178.108 177.584 0.201 0.000 1.055 155 A CA 0.323 52.416 52.037 0.094 0.000 0.756 155 A CB 0.163 19.222 19.000 0.099 0.000 0.988 155 A HN 0.979 nan 8.150 nan 0.000 0.509 156 A N 0.934 123.806 122.820 0.087 0.000 2.423 156 A HA 0.843 5.162 4.320 -0.001 0.000 0.304 156 A C -0.738 177.052 177.584 0.343 0.000 1.104 156 A CA -0.394 51.756 52.037 0.189 0.000 0.757 156 A CB 1.049 19.953 19.000 -0.161 0.000 1.313 156 A HN 1.853 nan 8.150 nan 0.000 0.423 157 Y N -0.188 120.337 120.300 0.376 0.000 2.553 157 Y HA 0.752 5.302 4.550 -0.001 0.000 0.347 157 Y C -0.886 175.139 175.900 0.209 0.000 1.019 157 Y CA -1.641 56.650 58.100 0.318 0.000 1.032 157 Y CB 0.997 39.723 38.460 0.444 0.000 1.284 157 Y HN 0.494 nan 8.280 nan 0.000 0.466 158 I N 2.721 123.313 120.570 0.036 0.000 2.474 158 I HA 0.115 4.284 4.170 -0.001 0.000 0.287 158 I C 0.474 176.622 176.117 0.052 0.000 1.048 158 I CA 0.426 61.568 61.300 -0.263 0.000 1.383 158 I CB 1.817 39.460 38.000 -0.594 0.000 1.412 158 I HN 1.030 nan 8.210 nan 0.000 0.531 159 S N 4.143 119.799 115.700 -0.072 0.000 2.691 159 S HA 0.160 4.629 4.470 -0.001 0.000 0.241 159 S C 1.000 175.668 174.600 0.113 0.000 1.077 159 S CA 0.126 58.423 58.200 0.161 0.000 0.900 159 S CB 0.181 63.472 63.200 0.153 0.000 0.805 159 S HN 0.795 nan 8.310 nan 0.000 0.529 160 G N 1.985 110.758 108.800 -0.044 0.000 2.367 160 G HA2 0.403 4.363 3.960 -0.001 0.000 0.282 160 G HA3 0.403 4.363 3.960 -0.001 0.000 0.282 160 G C -0.441 174.411 174.900 -0.081 0.000 1.140 160 G CA -0.020 45.025 45.100 -0.092 0.000 1.088 160 G HN 0.490 nan 8.290 nan 0.000 0.431 161 L N 5.098 126.268 121.223 -0.089 0.000 2.960 161 L HA 0.246 4.585 4.340 -0.001 0.000 0.274 161 L C -2.190 174.653 176.870 -0.044 0.000 1.327 161 L CA -1.303 53.531 54.840 -0.010 0.000 0.860 161 L CB 1.795 43.885 42.059 0.052 0.000 1.239 161 L HN 0.365 nan 8.230 nan 0.000 0.551 162 P HA 0.422 nan 4.420 nan 0.000 0.295 162 P C -0.587 176.700 177.300 -0.023 0.000 1.354 162 P CA -0.099 62.965 63.100 -0.059 0.000 0.814 162 P CB 1.682 33.339 31.700 -0.072 0.000 0.935 163 E N 1.672 121.857 120.200 -0.025 0.000 2.458 163 E HA 0.179 4.529 4.350 -0.001 0.000 0.278 163 E C 0.072 176.657 176.600 -0.025 0.000 1.004 163 E CA -0.488 55.901 56.400 -0.019 0.000 0.823 163 E CB 1.620 31.313 29.700 -0.012 0.000 1.396 163 E HN 0.130 nan 8.360 nan 0.000 0.463 164 D N 0.224 120.611 120.400 -0.022 0.000 2.085 164 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 164 D C 1.008 177.292 176.300 -0.027 0.000 0.981 164 D CA 1.576 55.563 54.000 -0.023 0.000 0.834 164 D CB -0.256 40.533 40.800 -0.019 0.000 0.992 164 D HN 0.498 nan 8.370 nan 0.000 0.457 165 T N -2.167 112.368 114.554 -0.030 0.000 2.897 165 T HA 0.406 4.755 4.350 -0.001 0.000 0.278 165 T C 1.162 175.831 174.700 -0.051 0.000 0.981 165 T CA -0.758 61.319 62.100 -0.038 0.000 0.973 165 T CB 2.011 70.858 68.868 -0.035 0.000 1.092 165 T HN -0.168 nan 8.240 nan 0.000 0.543 166 R N 0.092 120.553 120.500 -0.064 0.000 2.073 166 R HA -0.019 4.320 4.340 -0.001 0.000 0.234 166 R C 2.811 179.061 176.300 -0.084 0.000 1.134 166 R CA 1.307 57.352 56.100 -0.091 0.000 0.952 166 R CB -0.991 29.244 30.300 -0.108 0.000 0.850 166 R HN 0.826 nan 8.270 nan 0.000 0.433 167 A N 1.681 124.461 122.820 -0.067 0.000 1.892 167 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 167 A C 1.957 179.509 177.584 -0.052 0.000 1.188 167 A CA 1.773 53.775 52.037 -0.059 0.000 0.631 167 A CB -0.374 18.599 19.000 -0.046 0.000 0.822 167 A HN 0.247 nan 8.150 nan 0.000 0.447 168 K N -0.992 119.383 120.400 -0.043 0.000 2.097 168 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 168 K C 2.333 178.915 176.600 -0.030 0.000 1.050 168 K CA 1.172 57.440 56.287 -0.032 0.000 0.938 168 K CB -0.158 32.327 32.500 -0.024 0.000 0.718 168 K HN 0.398 nan 8.250 nan 0.000 0.442 169 R N 0.385 120.859 120.500 -0.043 0.000 2.075 169 R HA -0.071 4.269 4.340 -0.001 0.000 0.232 169 R C 2.382 178.645 176.300 -0.061 0.000 1.126 169 R CA 1.235 57.308 56.100 -0.044 0.000 0.963 169 R CB -0.309 29.950 30.300 -0.068 0.000 0.858 169 R HN 0.167 nan 8.270 nan 0.000 0.435 170 A N 1.312 124.078 122.820 -0.090 0.000 1.873 170 A HA -0.161 4.159 4.320 -0.001 0.000 0.215 170 A C 1.967 179.506 177.584 -0.076 0.000 1.186 170 A CA 1.153 53.124 52.037 -0.110 0.000 0.616 170 A CB -0.258 18.671 19.000 -0.117 0.000 0.823 170 A HN 0.138 nan 8.150 nan 0.000 0.442 171 E N -0.402 119.767 120.200 -0.050 0.000 2.058 171 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 171 E C 1.993 178.587 176.600 -0.010 0.000 0.997 171 E CA 1.325 57.705 56.400 -0.033 0.000 0.801 171 E CB -0.588 29.094 29.700 -0.030 0.000 0.746 171 E HN 0.466 nan 8.360 nan 0.000 0.450 172 L N 0.943 122.175 121.223 0.015 0.000 1.989 172 L HA -0.160 4.180 4.340 -0.001 0.000 0.211 172 L C 2.259 179.238 176.870 0.181 0.000 1.071 172 L CA 2.298 57.188 54.840 0.083 0.000 0.749 172 L CB -1.101 41.024 42.059 0.110 0.000 0.890 172 L HN 0.074 nan 8.230 nan 0.000 0.431 173 A N -0.455 122.427 122.820 0.104 0.000 1.884 173 A HA -0.254 4.066 4.320 -0.001 0.000 0.219 173 A C 2.456 180.090 177.584 0.083 0.000 1.197 173 A CA 2.566 54.634 52.037 0.051 0.000 0.637 173 A CB -1.394 17.430 19.000 -0.294 0.000 0.827 173 A HN 0.614 nan 8.150 nan 0.000 0.450 174 A N -0.482 122.332 122.820 -0.009 0.000 1.972 174 A HA 0.153 4.473 4.320 -0.001 0.000 0.219 174 A C 2.484 180.121 177.584 0.089 0.000 1.169 174 A CA 2.123 54.177 52.037 0.029 0.000 0.635 174 A CB -0.983 18.006 19.000 -0.019 0.000 0.810 174 A HN 1.182 nan 8.150 nan 0.000 0.446 175 A N -1.402 121.444 122.820 0.043 0.000 1.940 175 A HA -0.172 4.147 4.320 -0.001 0.000 0.219 175 A C 1.964 179.508 177.584 -0.066 0.000 1.176 175 A CA 1.377 53.377 52.037 -0.062 0.000 0.631 175 A CB -0.838 18.056 19.000 -0.176 0.000 0.814 175 A HN 0.764 nan 8.150 nan 0.000 0.446 176 W N -0.461 120.930 121.300 0.151 0.000 2.436 176 W HA -0.057 4.602 4.660 -0.000 0.000 0.284 176 W C 2.564 179.287 176.519 0.340 0.000 1.225 176 W CA 1.101 58.553 57.345 0.178 0.000 1.271 176 W CB -0.081 29.423 29.460 0.074 0.000 1.114 176 W HN 0.477 nan 8.180 nan 0.000 0.559 177 Q N 0.548 120.725 119.800 0.627 0.000 2.135 177 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 177 Q C 2.188 178.376 176.000 0.313 0.000 0.981 177 Q CA 1.860 57.986 55.803 0.538 0.000 0.856 177 Q CB -0.309 28.681 28.738 0.419 0.000 0.902 177 Q HN 0.233 nan 8.270 nan 0.000 0.425 178 A N 0.231 123.177 122.820 0.211 0.000 2.119 178 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 178 A C 1.631 179.286 177.584 0.119 0.000 1.153 178 A CA 0.765 52.873 52.037 0.118 0.000 0.692 178 A CB 0.008 19.038 19.000 0.051 0.000 0.799 178 A HN 0.108 nan 8.150 nan 0.000 0.458 179 K N -1.136 119.387 120.400 0.204 0.000 2.404 179 K HA 0.189 4.508 4.320 -0.001 0.000 0.194 179 K C 0.948 177.702 176.600 0.256 0.000 1.023 179 K CA 0.753 57.173 56.287 0.222 0.000 1.094 179 K CB 0.310 32.967 32.500 0.262 0.000 0.841 179 K HN 0.697 nan 8.250 nan 0.000 0.523 180 G N 0.850 109.790 108.800 0.233 0.000 2.164 180 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.154 180 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.154 180 G C -0.246 174.591 174.900 -0.106 0.000 1.014 180 G CA -0.694 44.416 45.100 0.018 0.000 0.683 180 G HN 0.149 nan 8.290 nan 0.000 0.500 181 F N 1.028 121.016 119.950 0.064 0.000 2.399 181 F HA 0.645 5.171 4.527 -0.001 0.000 0.334 181 F C 1.305 177.083 175.800 -0.037 0.000 1.097 181 F CA -0.014 57.948 58.000 -0.063 0.000 1.076 181 F CB 2.273 41.158 39.000 -0.192 0.000 1.162 181 F HN -0.039 nan 8.300 nan 0.000 0.495 182 S N 0.236 115.957 115.700 0.036 0.000 2.733 182 S HA 0.180 4.650 4.470 -0.001 0.000 0.247 182 S C -0.256 174.356 174.600 0.021 0.000 1.043 182 S CA -0.154 58.100 58.200 0.089 0.000 1.066 182 S CB 0.435 63.643 63.200 0.015 0.000 1.045 182 S HN 0.448 nan 8.310 nan 0.000 0.586 183 S N 1.065 116.682 115.700 -0.139 0.000 2.521 183 S HA 0.796 5.266 4.470 -0.001 0.000 0.295 183 S C -1.236 173.275 174.600 -0.148 0.000 1.098 183 S CA -0.449 57.703 58.200 -0.081 0.000 0.999 183 S CB 1.250 64.370 63.200 -0.132 0.000 1.034 183 S HN 0.270 nan 8.310 nan 0.000 0.483 184 F N 1.333 121.489 119.950 0.343 0.000 2.599 184 F HA 0.616 5.143 4.527 -0.000 0.000 0.311 184 F C -0.073 175.917 175.800 0.315 0.000 1.076 184 F CA -0.854 57.351 58.000 0.342 0.000 0.937 184 F CB 1.912 41.040 39.000 0.212 0.000 1.282 184 F HN 0.320 nan 8.300 nan 0.000 0.460 185 K N 2.682 123.378 120.400 0.494 0.000 2.482 185 K HA 0.564 4.883 4.320 -0.001 0.000 0.251 185 K C -1.703 175.066 176.600 0.281 0.000 0.936 185 K CA -0.555 55.892 56.287 0.267 0.000 0.791 185 K CB 1.672 34.322 32.500 0.251 0.000 1.213 185 K HN 0.560 nan 8.250 nan 0.000 0.428 186 F N 1.421 121.408 119.950 0.062 0.000 2.523 186 F HA 0.822 5.348 4.527 -0.000 0.000 0.329 186 F C -0.859 174.938 175.800 -0.004 0.000 1.061 186 F CA -1.071 56.931 58.000 0.002 0.000 0.967 186 F CB 1.463 40.448 39.000 -0.025 0.000 1.218 186 F HN 0.416 nan 8.300 nan 0.000 0.480 187 A N 1.617 124.376 122.820 -0.102 0.000 2.260 187 A HA 0.458 4.777 4.320 -0.001 0.000 0.314 187 A C 0.882 178.432 177.584 -0.056 0.000 1.257 187 A CA -0.079 51.862 52.037 -0.159 0.000 0.871 187 A CB 0.468 19.374 19.000 -0.156 0.000 1.166 187 A HN 1.111 nan 8.150 nan 0.000 0.522 188 S N 2.720 118.340 115.700 -0.133 0.000 2.399 188 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 188 S C -0.743 173.911 174.600 0.089 0.000 1.022 188 S CA 1.558 59.794 58.200 0.060 0.000 0.983 188 S CB -1.317 61.900 63.200 0.029 0.000 0.803 188 S HN 0.539 nan 8.310 nan 0.000 0.480 189 P HA 0.006 nan 4.420 nan 0.000 0.218 189 P C 1.369 178.672 177.300 0.005 0.000 1.148 189 P CA 0.804 63.906 63.100 0.003 0.000 0.822 189 P CB -0.227 31.416 31.700 -0.095 0.000 0.784 190 V N -0.799 119.115 119.914 -0.001 0.000 3.217 190 V HA 0.009 4.128 4.120 -0.001 0.000 0.264 190 V C 1.408 177.526 176.094 0.040 0.000 1.135 190 V CA 0.935 63.236 62.300 0.002 0.000 1.142 190 V CB -1.561 30.244 31.823 -0.030 0.000 0.754 190 V HN 0.057 nan 8.190 nan 0.000 0.484 191 A N 1.571 124.447 122.820 0.095 0.000 2.990 191 A HA 0.228 4.548 4.320 -0.001 0.000 0.282 191 A C 1.292 178.900 177.584 0.040 0.000 1.688 191 A CA 0.177 52.265 52.037 0.086 0.000 1.391 191 A CB -0.715 18.409 19.000 0.207 0.000 1.112 191 A HN 0.652 nan 8.150 nan 0.000 0.588 192 D N 0.210 120.616 120.400 0.010 0.000 2.264 192 D HA -0.143 4.497 4.640 -0.001 0.000 0.208 192 D C 0.211 176.511 176.300 -0.000 0.000 0.966 192 D CA 1.221 55.224 54.000 0.006 0.000 0.864 192 D CB 0.145 40.942 40.800 -0.005 0.000 0.933 192 D HN 0.384 nan 8.370 nan 0.000 0.499 193 D N 0.193 120.584 120.400 -0.016 0.000 2.427 193 D HA 0.315 4.955 4.640 -0.001 0.000 0.224 193 D C 0.788 177.079 176.300 -0.015 0.000 1.157 193 D CA 0.526 54.514 54.000 -0.021 0.000 0.828 193 D CB 0.335 41.111 40.800 -0.041 0.000 0.974 193 D HN 0.385 nan 8.370 nan 0.000 0.498 194 G N 0.497 109.302 108.800 0.008 0.000 2.712 194 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.686 194 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.686 194 G C 1.046 175.961 174.900 0.024 0.000 1.321 194 G CA -0.429 44.686 45.100 0.025 0.000 0.813 194 G HN 0.184 nan 8.290 nan 0.000 0.599 195 V N -1.400 118.558 119.914 0.073 0.000 2.515 195 V HA 0.200 4.320 4.120 -0.001 0.000 0.250 195 V C 2.985 179.092 176.094 0.020 0.000 1.058 195 V CA 2.549 64.928 62.300 0.133 0.000 1.064 195 V CB -1.323 30.618 31.823 0.197 0.000 0.675 195 V HN 2.315 nan 8.190 nan 0.000 0.461 196 A N 0.463 123.282 122.820 -0.002 0.000 1.873 196 A HA -0.098 4.221 4.320 -0.001 0.000 0.215 196 A C 2.292 179.751 177.584 -0.208 0.000 1.186 196 A CA 1.711 53.720 52.037 -0.048 0.000 0.616 196 A CB -0.497 18.526 19.000 0.038 0.000 0.823 196 A HN 0.443 nan 8.150 nan 0.000 0.442 197 K N 0.183 120.494 120.400 -0.148 0.000 2.211 197 K HA -0.032 4.287 4.320 -0.001 0.000 0.203 197 K C 0.962 177.409 176.600 -0.255 0.000 1.050 197 K CA 0.539 56.719 56.287 -0.179 0.000 0.945 197 K CB -0.245 32.191 32.500 -0.107 0.000 0.732 197 K HN 0.587 nan 8.250 nan 0.000 0.451 201 I N 1.831 122.258 120.570 -0.238 0.000 2.676 201 I HA -0.049 4.121 4.170 -0.001 0.000 0.259 201 I C 2.050 178.059 176.117 -0.179 0.000 1.194 201 I CA 0.609 61.803 61.300 -0.176 0.000 1.473 201 I CB 0.157 38.056 38.000 -0.168 0.000 1.096 201 I HN 0.237 nan 8.210 nan 0.000 0.443 202 L N -0.222 120.866 121.223 -0.224 0.000 2.127 202 L HA -0.090 4.249 4.340 -0.001 0.000 0.203 202 L C 2.618 179.396 176.870 -0.154 0.000 1.080 202 L CA 0.451 55.161 54.840 -0.218 0.000 0.768 202 L CB -0.454 41.444 42.059 -0.268 0.000 0.924 202 L HN 0.133 nan 8.230 nan 0.000 0.444 203 R N 1.263 121.696 120.500 -0.111 0.000 2.070 203 R HA -0.222 4.117 4.340 -0.001 0.000 0.233 203 R C 2.113 178.392 176.300 -0.035 0.000 1.137 203 R CA 2.263 58.340 56.100 -0.040 0.000 0.945 203 R CB -0.476 29.843 30.300 0.032 0.000 0.845 203 R HN 0.589 nan 8.270 nan 0.000 0.430 204 E N -0.823 119.354 120.200 -0.039 0.000 2.110 204 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 204 E C 2.021 178.594 176.600 -0.045 0.000 0.988 204 E CA 1.200 57.582 56.400 -0.031 0.000 0.804 204 E CB -0.343 29.341 29.700 -0.027 0.000 0.745 204 E HN 0.085 nan 8.360 nan 0.000 0.458 205 R N 0.875 121.332 120.500 -0.072 0.000 2.115 205 R HA 0.056 4.396 4.340 -0.001 0.000 0.230 205 R C 1.791 178.046 176.300 -0.076 0.000 1.111 205 R CA 1.247 57.301 56.100 -0.077 0.000 0.976 205 R CB -0.170 30.068 30.300 -0.104 0.000 0.870 205 R HN 0.384 nan 8.270 nan 0.000 0.445 206 L N -1.195 119.974 121.223 -0.089 0.000 2.638 206 L HA 0.393 4.733 4.340 -0.001 0.000 0.232 206 L C 0.769 177.628 176.870 -0.019 0.000 1.099 206 L CA 0.013 54.808 54.840 -0.076 0.000 0.883 206 L CB 0.321 42.278 42.059 -0.169 0.000 1.136 206 L HN 0.398 nan 8.230 nan 0.000 0.492 207 G N 1.117 109.906 108.800 -0.018 0.000 2.757 207 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.638 207 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.638 207 G C -2.375 172.530 174.900 0.008 0.000 1.344 207 G CA -0.305 44.794 45.100 -0.000 0.000 0.855 207 G HN -0.006 nan 8.290 nan 0.000 0.537 208 P HA 0.238 nan 4.420 nan 0.000 0.249 208 P C 1.577 178.884 177.300 0.010 0.000 1.229 208 P CA 1.594 64.701 63.100 0.012 0.000 0.788 208 P CB 0.255 31.959 31.700 0.008 0.000 1.072 209 A N 1.276 124.105 122.820 0.015 0.000 1.826 209 A HA 0.188 4.507 4.320 -0.001 0.000 0.214 209 A C 1.654 179.246 177.584 0.013 0.000 1.212 209 A CA 1.115 53.159 52.037 0.012 0.000 0.605 209 A CB -1.667 17.347 19.000 0.023 0.000 0.861 209 A HN 0.174 nan 8.150 nan 0.000 0.447 210 V N 2.215 122.164 119.914 0.058 0.000 2.790 210 V HA 0.252 4.371 4.120 -0.001 0.000 0.304 210 V C 0.747 176.869 176.094 0.046 0.000 1.142 210 V CA 0.844 63.211 62.300 0.112 0.000 1.282 210 V CB -0.497 31.470 31.823 0.240 0.000 0.877 210 V HN 0.719 nan 8.190 nan 0.000 0.504 211 R N 4.919 125.392 120.500 -0.044 0.000 2.428 211 R HA 0.847 5.186 4.340 -0.001 0.000 0.294 211 R C -1.353 175.016 176.300 0.114 0.000 1.000 211 R CA -0.552 55.475 56.100 -0.122 0.000 0.960 211 R CB 1.496 31.455 30.300 -0.568 0.000 1.076 211 R HN 0.598 nan 8.270 nan 0.000 0.475 212 I N 1.854 122.560 120.570 0.227 0.000 2.468 212 I HA 0.451 4.621 4.170 -0.001 0.000 0.285 212 I C -0.319 175.934 176.117 0.226 0.000 1.039 212 I CA -0.856 60.623 61.300 0.297 0.000 1.074 212 I CB 1.995 40.120 38.000 0.208 0.000 1.228 212 I HN 0.831 nan 8.210 nan 0.000 0.436 213 A N 4.646 127.493 122.820 0.044 0.000 2.282 213 A HA 0.812 5.131 4.320 -0.001 0.000 0.324 213 A C -1.059 176.282 177.584 -0.405 0.000 1.119 213 A CA -0.539 51.187 52.037 -0.518 0.000 0.880 213 A CB 1.778 19.632 19.000 -1.909 0.000 1.294 213 A HN 0.791 nan 8.150 nan 0.000 0.493 214 C N 0.872 119.847 119.300 -0.542 0.000 2.397 214 C HA 0.626 5.086 4.460 -0.001 0.000 0.325 214 C C -0.433 174.309 174.990 -0.413 0.000 1.201 214 C CA -0.618 58.022 59.018 -0.630 0.000 1.377 214 C CB 0.127 27.530 27.740 -0.562 0.000 2.038 214 C HN 1.002 nan 8.230 nan 0.000 0.457 218 W N -1.605 119.756 121.300 0.101 0.000 0.884 218 W HA -0.320 4.340 4.660 -0.001 0.000 0.220 218 W C 1.185 177.724 176.519 0.034 0.000 0.927 218 W CA 1.174 58.544 57.345 0.042 0.000 0.352 218 W CB -2.075 27.354 29.460 -0.051 0.000 1.923 218 W HN 0.465 nan 8.180 nan 0.000 1.344 219 A N 2.026 124.934 122.820 0.147 0.000 2.958 219 A HA 0.370 4.689 4.320 -0.001 0.000 0.247 219 A C -0.250 177.053 177.584 -0.468 0.000 1.679 219 A CA 1.027 52.998 52.037 -0.111 0.000 1.345 219 A CB -1.148 17.794 19.000 -0.096 0.000 1.013 219 A HN 0.397 nan 8.150 nan 0.000 0.641 220 H N -1.179 117.952 119.070 0.101 0.000 2.961 220 H HA 0.493 5.048 4.556 -0.001 0.000 0.371 220 H C 0.416 175.779 175.328 0.059 0.000 1.190 220 H CA -0.049 56.039 56.048 0.068 0.000 1.138 220 H CB 1.236 31.029 29.762 0.051 0.000 1.816 220 H HN 0.285 nan 8.280 nan 0.000 0.551 221 T N -1.184 113.473 114.554 0.171 0.000 2.813 221 T HA 0.374 4.724 4.350 -0.001 0.000 0.297 221 T C 1.507 176.271 174.700 0.107 0.000 1.036 221 T CA -0.211 61.956 62.100 0.112 0.000 1.044 221 T CB 1.245 70.160 68.868 0.079 0.000 0.993 221 T HN 0.724 nan 8.240 nan 0.000 0.535 222 A N 1.275 124.138 122.820 0.072 0.000 1.865 222 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 222 A C 2.715 180.321 177.584 0.037 0.000 1.191 222 A CA 2.298 54.364 52.037 0.050 0.000 0.623 222 A CB -1.582 17.441 19.000 0.039 0.000 0.826 222 A HN 0.951 nan 8.150 nan 0.000 0.444 223 S N -0.497 115.226 115.700 0.039 0.000 2.368 223 S HA -0.273 4.197 4.470 -0.001 0.000 0.226 223 S C 1.934 176.552 174.600 0.031 0.000 1.044 223 S CA 2.081 60.300 58.200 0.032 0.000 1.062 223 S CB -0.427 62.794 63.200 0.034 0.000 0.931 223 S HN 0.665 nan 8.310 nan 0.000 0.440 224 E N 0.433 120.664 120.200 0.051 0.000 2.077 224 E HA -0.069 4.280 4.350 -0.001 0.000 0.193 224 E C 2.415 179.009 176.600 -0.010 0.000 0.989 224 E CA 1.015 57.447 56.400 0.055 0.000 0.800 224 E CB -0.319 29.460 29.700 0.132 0.000 0.746 224 E HN 0.631 nan 8.360 nan 0.000 0.452 225 A N 0.838 123.642 122.820 -0.027 0.000 1.902 225 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 225 A C 2.486 180.025 177.584 -0.075 0.000 1.181 225 A CA 1.076 53.040 52.037 -0.122 0.000 0.623 225 A CB -0.622 18.336 19.000 -0.071 0.000 0.818 225 A HN 0.114 nan 8.150 nan 0.000 0.443 226 V N -0.062 119.835 119.914 -0.028 0.000 2.295 226 V HA -0.275 3.845 4.120 -0.001 0.000 0.246 226 V C 3.069 179.156 176.094 -0.011 0.000 1.049 226 V CA 2.016 64.307 62.300 -0.014 0.000 1.024 226 V CB -1.253 30.571 31.823 0.001 0.000 0.648 226 V HN 0.618 nan 8.190 nan 0.000 0.447 227 A N -0.350 122.465 122.820 -0.007 0.000 1.902 227 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 227 A C 2.188 179.770 177.584 -0.003 0.000 1.181 227 A CA 1.878 53.916 52.037 0.002 0.000 0.623 227 A CB -0.530 18.477 19.000 0.011 0.000 0.818 227 A HN 0.518 nan 8.150 nan 0.000 0.443 228 L N -0.812 120.394 121.223 -0.028 0.000 2.156 228 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 228 L C 2.370 179.230 176.870 -0.016 0.000 1.095 228 L CA 0.794 55.615 54.840 -0.032 0.000 0.770 228 L CB -0.363 41.635 42.059 -0.102 0.000 0.914 228 L HN 0.356 nan 8.230 nan 0.000 0.439 229 I N -0.326 120.227 120.570 -0.029 0.000 2.202 229 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 229 I C 2.420 178.548 176.117 0.018 0.000 1.091 229 I CA 1.305 62.600 61.300 -0.009 0.000 1.368 229 I CB -0.229 37.760 38.000 -0.019 0.000 1.058 229 I HN 0.174 nan 8.210 nan 0.000 0.410 230 K N 1.100 121.508 120.400 0.013 0.000 2.147 230 K HA -0.016 4.304 4.320 -0.001 0.000 0.205 230 K C 1.133 177.751 176.600 0.030 0.000 1.049 230 K CA 0.818 57.116 56.287 0.019 0.000 0.936 230 K CB -0.215 32.292 32.500 0.012 0.000 0.722 230 K HN 0.274 nan 8.250 nan 0.000 0.446 234 P HA -0.223 nan 4.420 nan 0.000 0.219 234 P C 0.668 177.801 177.300 -0.279 0.000 1.153 234 P CA 1.530 64.503 63.100 -0.211 0.000 0.865 234 P CB -0.187 31.297 31.700 -0.359 0.000 0.788 235 H N -1.670 117.409 119.070 0.014 0.000 2.524 235 H HA 0.328 4.884 4.556 -0.001 0.000 0.280 235 H C 0.893 176.234 175.328 0.021 0.000 1.018 235 H CA 0.708 56.761 56.048 0.008 0.000 1.165 235 H CB -0.219 29.542 29.762 -0.003 0.000 1.411 235 H HN 0.192 nan 8.280 nan 0.000 0.569 236 G N 1.738 110.595 108.800 0.095 0.000 2.799 236 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.271 236 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.271 236 G C -0.646 174.324 174.900 0.117 0.000 1.067 236 G CA -0.366 44.785 45.100 0.085 0.000 1.251 236 G HN 0.274 nan 8.290 nan 0.000 0.560 237 L N 2.268 123.563 121.223 0.120 0.000 2.265 237 L HA 0.735 5.075 4.340 -0.001 0.000 0.288 237 L C 1.207 178.189 176.870 0.188 0.000 1.058 237 L CA -0.720 54.201 54.840 0.135 0.000 0.809 237 L CB 0.545 42.664 42.059 0.100 0.000 1.179 237 L HN 0.475 nan 8.230 nan 0.000 0.429 238 W N 6.671 127.936 121.300 -0.058 0.000 2.418 238 W HA 0.053 4.713 4.660 -0.001 0.000 0.319 238 W C -0.031 176.505 176.519 0.029 0.000 1.183 238 W CA 1.171 58.486 57.345 -0.050 0.000 1.327 238 W CB -0.243 29.130 29.460 -0.146 0.000 1.163 238 W HN 0.456 nan 8.180 nan 0.000 0.479 239 F N -1.755 118.115 119.950 -0.133 0.000 2.685 239 F HA 0.744 5.271 4.527 -0.000 0.000 0.315 239 F C -0.994 174.676 175.800 -0.216 0.000 1.126 239 F CA -2.135 55.704 58.000 -0.270 0.000 0.950 239 F CB 0.529 39.215 39.000 -0.523 0.000 1.360 239 F HN -0.032 nan 8.300 nan 0.000 0.469 240 A N 1.275 124.176 122.820 0.135 0.000 2.310 240 A HA 0.533 4.853 4.320 -0.001 0.000 0.304 240 A C -0.916 176.696 177.584 0.046 0.000 1.231 240 A CA -0.500 51.544 52.037 0.011 0.000 0.799 240 A CB 0.640 19.618 19.000 -0.038 0.000 1.162 240 A HN 0.843 nan 8.150 nan 0.000 0.486 241 E N 2.581 122.793 120.200 0.021 0.000 2.227 241 E HA 0.496 4.845 4.350 -0.001 0.000 0.282 241 E C 0.393 176.823 176.600 -0.283 0.000 1.015 241 E CA 0.132 56.476 56.400 -0.094 0.000 0.823 241 E CB 0.878 30.576 29.700 -0.004 0.000 1.081 241 E HN 1.761 nan 8.360 nan 0.000 0.396 242 A N 5.292 127.894 122.820 -0.364 0.000 2.362 242 A HA -0.113 4.207 4.320 -0.001 0.000 0.290 242 A C -1.805 175.579 177.584 -0.333 0.000 1.441 242 A CA 0.485 52.195 52.037 -0.545 0.000 0.743 242 A CB -1.229 16.919 19.000 -1.421 0.000 1.125 242 A HN 0.726 nan 8.150 nan 0.000 0.378 243 P HA 0.054 nan 4.420 nan 0.000 0.222 243 P C 0.820 178.168 177.300 0.079 0.000 1.153 243 P CA 1.823 64.892 63.100 -0.052 0.000 0.798 243 P CB -0.211 31.457 31.700 -0.054 0.000 0.796 244 V N -3.856 116.114 119.914 0.094 0.000 3.145 244 V HA 0.557 4.677 4.120 -0.001 0.000 0.311 244 V C 0.136 176.382 176.094 0.253 0.000 1.238 244 V CA -1.678 60.721 62.300 0.165 0.000 1.066 244 V CB 1.281 33.175 31.823 0.118 0.000 1.144 244 V HN -0.243 nan 8.190 nan 0.000 0.465 245 R N 0.011 120.637 120.500 0.210 0.000 2.641 245 R HA 0.345 4.684 4.340 -0.001 0.000 0.269 245 R C 1.290 177.700 176.300 0.183 0.000 1.074 245 R CA 0.296 56.517 56.100 0.202 0.000 1.133 245 R CB 0.484 30.838 30.300 0.089 0.000 1.029 245 R HN 0.875 nan 8.270 nan 0.000 0.488 246 T N 1.835 116.466 114.554 0.129 0.000 2.684 246 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 246 T C 1.152 175.902 174.700 0.084 0.000 1.036 246 T CA 1.650 63.823 62.100 0.122 0.000 1.148 246 T CB -0.088 68.786 68.868 0.011 0.000 0.863 246 T HN 0.569 nan 8.240 nan 0.000 0.436 247 E N 1.196 121.411 120.200 0.026 0.000 2.338 247 E HA -0.022 4.328 4.350 -0.001 0.000 0.197 247 E C 0.892 177.506 176.600 0.022 0.000 1.007 247 E CA 0.419 56.822 56.400 0.007 0.000 0.849 247 E CB -0.203 29.486 29.700 -0.018 0.000 0.774 247 E HN 0.299 nan 8.360 nan 0.000 0.506 248 D N 0.224 120.653 120.400 0.048 0.000 2.619 248 D HA 0.089 4.729 4.640 -0.001 0.000 0.224 248 D C 0.573 176.905 176.300 0.054 0.000 1.133 248 D CA 0.012 54.042 54.000 0.049 0.000 1.017 248 D CB -0.336 40.502 40.800 0.064 0.000 1.077 248 D HN 0.114 nan 8.370 nan 0.000 0.503 249 I N 0.607 121.200 120.570 0.038 0.000 2.353 249 I HA -0.170 4.000 4.170 -0.001 0.000 0.248 249 I C 1.689 177.825 176.117 0.031 0.000 1.119 249 I CA 0.473 61.795 61.300 0.037 0.000 1.417 249 I CB 0.174 38.181 38.000 0.013 0.000 1.078 249 I HN 0.150 nan 8.210 nan 0.000 0.421 250 D N 1.071 121.485 120.400 0.023 0.000 2.097 250 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 250 D C 2.187 178.504 176.300 0.028 0.000 0.989 250 D CA 1.713 55.726 54.000 0.021 0.000 0.827 250 D CB -0.567 40.242 40.800 0.016 0.000 0.966 250 D HN 0.378 nan 8.370 nan 0.000 0.456 251 G N 1.278 110.099 108.800 0.035 0.000 2.476 251 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.218 251 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.218 251 G C 1.660 176.585 174.900 0.041 0.000 1.164 251 G CA 0.777 45.902 45.100 0.041 0.000 0.768 251 G HN 0.216 nan 8.290 nan 0.000 0.560 252 L N 1.377 122.630 121.223 0.049 0.000 1.989 252 L HA 0.060 4.400 4.340 -0.001 0.000 0.211 252 L C 3.197 180.088 176.870 0.035 0.000 1.071 252 L CA 2.344 57.213 54.840 0.048 0.000 0.749 252 L CB -0.842 41.258 42.059 0.068 0.000 0.890 252 L HN 0.264 nan 8.230 nan 0.000 0.431 253 A N -0.754 122.087 122.820 0.034 0.000 1.940 253 A HA -0.284 4.036 4.320 -0.001 0.000 0.219 253 A C 2.426 180.023 177.584 0.022 0.000 1.176 253 A CA 1.996 54.049 52.037 0.027 0.000 0.631 253 A CB -0.618 18.396 19.000 0.023 0.000 0.814 253 A HN 0.462 nan 8.150 nan 0.000 0.446 254 R N -0.178 120.336 120.500 0.022 0.000 2.075 254 R HA -0.044 4.296 4.340 -0.001 0.000 0.232 254 R C 1.848 178.158 176.300 0.017 0.000 1.126 254 R CA 1.935 58.047 56.100 0.019 0.000 0.963 254 R CB -1.146 29.166 30.300 0.020 0.000 0.858 254 R HN 0.250 nan 8.270 nan 0.000 0.435 255 V N 0.989 120.914 119.914 0.018 0.000 2.332 255 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 255 V C 2.352 178.451 176.094 0.010 0.000 1.055 255 V CA 2.037 64.343 62.300 0.011 0.000 1.038 255 V CB -1.020 30.808 31.823 0.008 0.000 0.651 255 V HN 0.532 nan 8.190 nan 0.000 0.450 256 A N -0.297 122.530 122.820 0.013 0.000 1.969 256 A HA 0.006 4.326 4.320 -0.001 0.000 0.218 256 A C 2.262 179.854 177.584 0.014 0.000 1.169 256 A CA 1.831 53.876 52.037 0.013 0.000 0.635 256 A CB -0.513 18.496 19.000 0.016 0.000 0.810 256 A HN 0.591 nan 8.150 nan 0.000 0.445 257 A N -1.163 121.666 122.820 0.015 0.000 2.178 257 A HA 0.239 4.558 4.320 -0.001 0.000 0.211 257 A C 1.987 179.578 177.584 0.012 0.000 1.157 257 A CA 1.250 53.295 52.037 0.014 0.000 0.780 257 A CB -0.177 18.832 19.000 0.014 0.000 0.828 257 A HN 0.379 nan 8.150 nan 0.000 0.476 258 S N -0.929 114.778 115.700 0.012 0.000 2.511 258 S HA 0.278 4.748 4.470 -0.001 0.000 0.214 258 S C 0.473 175.079 174.600 0.010 0.000 0.997 258 S CA 0.471 58.678 58.200 0.011 0.000 0.908 258 S CB 0.145 63.351 63.200 0.010 0.000 0.803 258 S HN 0.746 nan 8.310 nan 0.000 0.504 259 V N -1.040 118.880 119.914 0.011 0.000 2.962 259 V HA 0.603 4.723 4.120 -0.001 0.000 0.313 259 V C 0.542 176.647 176.094 0.018 0.000 1.099 259 V CA -0.766 61.542 62.300 0.013 0.000 0.971 259 V CB 1.750 33.580 31.823 0.011 0.000 1.028 259 V HN 0.025 nan 8.190 nan 0.000 0.430 260 S N 0.777 116.490 115.700 0.021 0.000 2.406 260 S HA -0.059 4.411 4.470 -0.001 0.000 0.228 260 S C 1.188 175.811 174.600 0.038 0.000 1.020 260 S CA 1.362 59.578 58.200 0.027 0.000 0.965 260 S CB -0.350 62.867 63.200 0.028 0.000 0.798 260 S HN 1.114 nan 8.310 nan 0.000 0.488 261 T N 2.441 117.019 114.554 0.041 0.000 2.939 261 T HA 0.327 4.677 4.350 -0.001 0.000 0.319 261 T C 0.115 174.847 174.700 0.053 0.000 1.082 261 T CA -0.135 61.999 62.100 0.057 0.000 1.133 261 T CB 0.172 69.071 68.868 0.050 0.000 1.019 261 T HN 0.324 nan 8.240 nan 0.000 0.548 262 A N 5.643 128.509 122.820 0.076 0.000 2.454 262 A HA 0.470 4.789 4.320 -0.001 0.000 0.260 262 A C 0.211 177.806 177.584 0.019 0.000 1.106 262 A CA -0.537 51.528 52.037 0.047 0.000 0.780 262 A CB -0.185 18.852 19.000 0.062 0.000 1.044 262 A HN 0.724 nan 8.150 nan 0.000 0.498 263 I N 2.172 122.729 120.570 -0.022 0.000 2.325 263 I HA 0.438 4.608 4.170 -0.001 0.000 0.291 263 I C 0.665 176.702 176.117 -0.133 0.000 1.019 263 I CA -0.249 61.021 61.300 -0.051 0.000 1.302 263 I CB 0.685 38.666 38.000 -0.031 0.000 1.401 263 I HN 0.673 nan 8.210 nan 0.000 0.485 264 A N 7.432 130.132 122.820 -0.200 0.000 2.318 264 A HA 0.838 5.157 4.320 -0.001 0.000 0.317 264 A C -0.467 176.921 177.584 -0.326 0.000 1.159 264 A CA -0.428 51.386 52.037 -0.372 0.000 0.799 264 A CB 1.447 19.986 19.000 -0.769 0.000 1.194 264 A HN 0.597 nan 8.150 nan 0.000 0.479 265 V N -0.516 119.180 119.914 -0.363 0.000 3.159 265 V HA 0.998 5.118 4.120 -0.001 0.000 0.308 265 V C 0.329 175.974 176.094 -0.748 0.000 1.190 265 V CA -0.042 61.996 62.300 -0.436 0.000 1.037 265 V CB 1.259 32.912 31.823 -0.284 0.000 1.060 265 V HN 2.143 nan 8.190 nan 0.000 0.437 266 G N 0.729 108.931 108.800 -0.996 0.000 3.246 266 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.218 266 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.218 266 G C 0.677 175.025 174.900 -0.921 0.000 0.978 266 G CA 0.662 44.848 45.100 -1.524 0.000 0.825 266 G HN 1.260 nan 8.290 nan 0.000 0.546 267 E N 1.300 121.164 120.200 -0.560 0.000 2.153 267 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 267 E C 1.756 178.144 176.600 -0.352 0.000 0.988 267 E CA 1.474 57.607 56.400 -0.444 0.000 0.811 267 E CB -0.279 29.045 29.700 -0.626 0.000 0.746 267 E HN 0.524 nan 8.360 nan 0.000 0.466 268 E N 0.192 120.197 120.200 -0.325 0.000 2.479 268 E HA -0.035 4.314 4.350 -0.001 0.000 0.193 268 E C -0.080 176.406 176.600 -0.189 0.000 1.049 268 E CA -0.301 55.896 56.400 -0.339 0.000 0.870 268 E CB -0.173 29.323 29.700 -0.340 0.000 0.944 268 E HN 0.223 nan 8.360 nan 0.000 0.492 269 W N 1.482 122.641 121.300 -0.235 0.000 2.034 269 W HA 0.216 4.876 4.660 -0.001 0.000 0.357 269 W C 1.630 178.025 176.519 -0.207 0.000 1.326 269 W CA -0.584 56.642 57.345 -0.197 0.000 1.318 269 W CB 0.225 29.597 29.460 -0.147 0.000 1.193 269 W HN -0.004 nan 8.180 nan 0.000 0.620 270 R N -0.655 119.906 120.500 0.100 0.000 2.350 270 R HA 0.095 4.434 4.340 -0.001 0.000 0.199 270 R C 0.618 176.952 176.300 0.057 0.000 0.876 270 R CA 0.920 57.049 56.100 0.049 0.000 1.062 270 R CB -0.113 30.209 30.300 0.036 0.000 1.263 270 R HN 0.582 nan 8.270 nan 0.000 0.641 271 T N -3.549 111.011 114.554 0.010 0.000 2.838 271 T HA 0.228 4.578 4.350 -0.001 0.000 0.292 271 T C 0.910 175.505 174.700 -0.175 0.000 1.113 271 T CA -0.494 61.563 62.100 -0.073 0.000 1.008 271 T CB 1.693 70.502 68.868 -0.098 0.000 1.259 271 T HN -0.215 nan 8.240 nan 0.000 0.520 272 V N 0.971 120.712 119.914 -0.289 0.000 2.720 272 V HA -0.131 3.988 4.120 -0.001 0.000 0.256 272 V C 2.304 178.101 176.094 -0.495 0.000 1.082 272 V CA 1.819 63.888 62.300 -0.386 0.000 1.101 272 V CB -1.302 30.276 31.823 -0.407 0.000 0.693 272 V HN 0.912 nan 8.190 nan 0.000 0.479 273 H N -0.168 118.728 119.070 -0.290 0.000 2.456 273 H HA -0.021 4.534 4.556 -0.001 0.000 0.296 273 H C 1.038 176.139 175.328 -0.379 0.000 1.079 273 H CA 1.082 56.956 56.048 -0.289 0.000 1.322 273 H CB -0.234 29.425 29.762 -0.172 0.000 1.388 273 H HN 0.510 nan 8.280 nan 0.000 0.538 277 P HA -0.151 nan 4.420 nan 0.000 0.216 277 P C 1.341 178.593 177.300 -0.081 0.000 1.150 277 P CA 1.590 64.620 63.100 -0.117 0.000 0.837 277 P CB -0.007 31.614 31.700 -0.131 0.000 0.786 278 R N 0.073 120.514 120.500 -0.100 0.000 2.081 278 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 278 R C 2.419 178.731 176.300 0.020 0.000 1.131 278 R CA 1.335 57.436 56.100 0.002 0.000 0.960 278 R CB -1.847 28.519 30.300 0.111 0.000 0.856 278 R HN 0.223 nan 8.270 nan 0.000 0.436 279 V N -0.435 119.480 119.914 0.001 0.000 2.591 279 V HA 0.056 4.176 4.120 -0.001 0.000 0.249 279 V C 1.903 177.973 176.094 -0.040 0.000 1.053 279 V CA 1.614 63.902 62.300 -0.020 0.000 1.068 279 V CB -0.389 31.385 31.823 -0.080 0.000 0.689 279 V HN 0.272 nan 8.190 nan 0.000 0.462 280 A N 0.728 123.528 122.820 -0.034 0.000 1.986 280 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 280 A C 2.123 179.709 177.584 0.004 0.000 1.171 280 A CA 1.812 53.844 52.037 -0.009 0.000 0.640 280 A CB -0.484 18.512 19.000 -0.007 0.000 0.811 280 A HN 0.572 nan 8.150 nan 0.000 0.451 281 R N -1.255 119.246 120.500 0.003 0.000 2.388 281 R HA 0.195 4.535 4.340 -0.001 0.000 0.247 281 R C -0.109 176.203 176.300 0.020 0.000 0.931 281 R CA 0.104 56.211 56.100 0.012 0.000 1.082 281 R CB -0.264 30.043 30.300 0.011 0.000 1.135 281 R HN 0.604 nan 8.270 nan 0.000 0.525 282 R N -0.353 120.160 120.500 0.022 0.000 3.516 282 R HA -0.217 4.123 4.340 -0.001 0.000 0.271 282 R C 0.646 176.964 176.300 0.031 0.000 1.098 282 R CA 0.713 56.831 56.100 0.030 0.000 0.732 282 R CB -2.000 28.319 30.300 0.031 0.000 1.152 282 R HN 0.279 nan 8.270 nan 0.000 0.455 283 A N 0.295 123.137 122.820 0.037 0.000 2.345 283 A HA 0.369 4.689 4.320 -0.001 0.000 0.225 283 A C 0.673 178.281 177.584 0.040 0.000 1.243 283 A CA 0.222 52.283 52.037 0.040 0.000 0.875 283 A CB 0.171 19.202 19.000 0.050 0.000 0.929 283 A HN 0.361 nan 8.150 nan 0.000 0.502 284 L N -6.649 114.597 121.223 0.038 0.000 2.465 284 L HA 0.888 5.228 4.340 -0.001 0.000 0.257 284 L C 0.116 176.987 176.870 0.001 0.000 0.988 284 L CA -0.499 54.348 54.840 0.012 0.000 0.827 284 L CB 1.725 43.799 42.059 0.025 0.000 1.397 284 L HN -0.110 nan 8.230 nan 0.000 0.410 285 A N 2.288 125.087 122.820 -0.035 0.000 2.192 285 A HA 0.599 4.919 4.320 -0.001 0.000 0.208 285 A C 0.537 178.075 177.584 -0.076 0.000 1.220 285 A CA 0.323 52.342 52.037 -0.031 0.000 0.900 285 A CB 0.164 19.152 19.000 -0.019 0.000 0.937 285 A HN 0.573 nan 8.150 nan 0.000 0.487 286 I N 1.346 121.823 120.570 -0.154 0.000 2.499 286 I HA 0.351 4.521 4.170 -0.001 0.000 0.288 286 I C -0.940 175.020 176.117 -0.263 0.000 1.048 286 I CA -1.180 59.973 61.300 -0.245 0.000 1.062 286 I CB 2.356 40.080 38.000 -0.460 0.000 1.238 286 I HN 0.000 nan 8.210 nan 0.000 0.426 287 V N 3.030 122.810 119.914 -0.224 0.000 2.481 287 V HA 0.470 4.590 4.120 -0.001 0.000 0.286 287 V C -0.266 175.623 176.094 -0.342 0.000 1.042 287 V CA -0.543 61.585 62.300 -0.286 0.000 0.928 287 V CB 1.230 32.950 31.823 -0.173 0.000 0.986 287 V HN 0.793 nan 8.190 nan 0.000 0.462 288 Q N 4.583 124.134 119.800 -0.415 0.000 2.788 288 Q HA 0.358 4.698 4.340 -0.001 0.000 0.285 288 Q C -2.586 173.215 176.000 -0.331 0.000 1.063 288 Q CA -1.724 53.879 55.803 -0.333 0.000 0.958 288 Q CB 1.292 29.855 28.738 -0.292 0.000 1.211 288 Q HN 0.647 nan 8.270 nan 0.000 0.478 289 P HA -0.010 nan 4.420 nan 0.000 0.271 289 P C -0.302 176.907 177.300 -0.153 0.000 1.218 289 P CA 0.082 62.947 63.100 -0.393 0.000 0.780 289 P CB 1.288 32.466 31.700 -0.870 0.000 0.901 293 H N 0.447 119.465 119.070 -0.087 0.000 2.582 293 H HA 0.323 4.879 4.556 -0.001 0.000 0.269 293 H C 2.016 177.331 175.328 -0.021 0.000 0.962 293 H CA 0.936 56.921 56.048 -0.105 0.000 1.230 293 H CB 0.784 30.419 29.762 -0.211 0.000 1.445 293 H HN 0.371 nan 8.280 nan 0.000 0.528 294 K N -0.559 119.923 120.400 0.138 0.000 2.367 294 K HA 0.286 4.605 4.320 -0.001 0.000 0.198 294 K C 0.577 177.229 176.600 0.086 0.000 1.132 294 K CA 0.502 56.861 56.287 0.120 0.000 0.941 294 K CB 1.522 34.102 32.500 0.133 0.000 1.052 294 K HN 0.242 nan 8.250 nan 0.000 0.507 295 G N 1.524 110.377 108.800 0.089 0.000 2.758 295 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.686 295 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.686 295 G C 0.450 175.331 174.900 -0.032 0.000 1.389 295 G CA -0.404 44.718 45.100 0.038 0.000 0.845 295 G HN 0.100 nan 8.290 nan 0.000 0.572 296 I N 0.662 121.140 120.570 -0.153 0.000 2.163 296 I HA -0.209 3.961 4.170 -0.001 0.000 0.243 296 I C 3.088 179.020 176.117 -0.308 0.000 1.085 296 I CA 2.289 63.347 61.300 -0.404 0.000 1.347 296 I CB -0.602 36.849 38.000 -0.915 0.000 1.044 296 I HN 0.744 nan 8.210 nan 0.000 0.408 297 T N 0.170 114.626 114.554 -0.163 0.000 2.635 297 T HA -0.228 4.122 4.350 -0.001 0.000 0.267 297 T C 1.908 176.541 174.700 -0.112 0.000 1.040 297 T CA 1.301 63.355 62.100 -0.077 0.000 1.156 297 T CB -0.218 68.597 68.868 -0.089 0.000 0.863 297 T HN 0.313 nan 8.240 nan 0.000 0.430 298 Q N -0.180 119.521 119.800 -0.164 0.000 2.079 298 Q HA 0.136 4.475 4.340 -0.001 0.000 0.200 298 Q C 1.255 177.258 176.000 0.006 0.000 0.974 298 Q CA 0.428 56.175 55.803 -0.093 0.000 0.840 298 Q CB -0.575 28.115 28.738 -0.080 0.000 0.898 298 Q HN 0.556 nan 8.270 nan 0.000 0.430 302 I N 1.052 121.611 120.570 -0.018 0.000 2.252 302 I HA -0.130 4.040 4.170 -0.001 0.000 0.245 302 I C 2.377 178.510 176.117 0.028 0.000 1.102 302 I CA 1.941 63.237 61.300 -0.006 0.000 1.385 302 I CB -0.281 37.677 38.000 -0.070 0.000 1.064 302 I HN 0.375 nan 8.210 nan 0.000 0.414 303 G N 0.417 109.212 108.800 -0.008 0.000 2.440 303 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 303 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 303 G C 1.801 176.758 174.900 0.096 0.000 1.154 303 G CA 0.847 45.968 45.100 0.036 0.000 0.767 303 G HN 0.496 nan 8.290 nan 0.000 0.552 304 A N -0.711 122.166 122.820 0.096 0.000 2.014 304 A HA 0.130 4.449 4.320 -0.001 0.000 0.218 304 A C 2.165 179.830 177.584 0.135 0.000 1.163 304 A CA 1.309 53.399 52.037 0.088 0.000 0.652 304 A CB -0.472 18.552 19.000 0.039 0.000 0.808 304 A HN 0.406 nan 8.150 nan 0.000 0.449 305 Y N 0.504 120.827 120.300 0.039 0.000 2.242 305 Y HA -0.024 4.525 4.550 -0.001 0.000 0.291 305 Y C 2.603 178.574 175.900 0.120 0.000 1.137 305 Y CA 0.903 59.049 58.100 0.076 0.000 1.181 305 Y CB -0.306 38.167 38.460 0.022 0.000 0.989 305 Y HN 0.310 nan 8.280 nan 0.000 0.527 306 A N -1.114 121.801 122.820 0.158 0.000 2.067 306 A HA -0.209 4.111 4.320 -0.001 0.000 0.219 306 A C 2.145 179.739 177.584 0.017 0.000 1.158 306 A CA 1.694 53.779 52.037 0.080 0.000 0.661 306 A CB -0.975 18.060 19.000 0.058 0.000 0.801 306 A HN 0.654 nan 8.150 nan 0.000 0.452 307 H N -0.106 118.918 119.070 -0.077 0.000 2.317 307 H HA -0.031 4.526 4.556 0.000 0.000 0.304 307 H C 2.058 177.202 175.328 -0.306 0.000 1.067 307 H CA 1.931 57.894 56.048 -0.142 0.000 1.352 307 H CB -0.268 29.443 29.762 -0.085 0.000 1.398 307 H HN 0.181 nan 8.280 nan 0.000 0.510 308 V N 1.216 121.104 119.914 -0.043 0.000 2.380 308 V HA -0.230 3.889 4.120 -0.001 0.000 0.251 308 V C 1.622 177.381 176.094 -0.558 0.000 1.063 308 V CA 1.963 64.094 62.300 -0.282 0.000 1.055 308 V CB -0.569 31.079 31.823 -0.291 0.000 0.657 308 V HN 0.579 nan 8.190 nan 0.000 0.455 309 H N -1.271 117.596 119.070 -0.339 0.000 2.507 309 H HA 0.207 4.763 4.556 -0.001 0.000 0.294 309 H C 0.261 175.576 175.328 -0.022 0.000 1.064 309 H CA -0.023 55.930 56.048 -0.159 0.000 1.138 309 H CB -0.212 29.436 29.762 -0.190 0.000 1.515 309 H HN 0.666 nan 8.280 nan 0.000 0.547 310 H N -0.522 118.533 119.070 -0.026 0.000 2.626 310 H HA -0.155 4.400 4.556 -0.000 0.000 0.317 310 H C -0.310 175.007 175.328 -0.018 0.000 1.140 310 H CA 0.484 56.503 56.048 -0.049 0.000 1.134 310 H CB -2.305 27.429 29.762 -0.047 0.000 1.486 310 H HN 0.411 nan 8.280 nan 0.000 0.417 311 I N 0.327 120.920 120.570 0.038 0.000 2.441 311 I HA 0.263 4.433 4.170 -0.001 0.000 0.295 311 I C 0.408 176.519 176.117 -0.009 0.000 0.994 311 I CA -1.179 60.136 61.300 0.026 0.000 1.144 311 I CB 1.303 39.325 38.000 0.037 0.000 1.314 311 I HN -0.044 nan 8.210 nan 0.000 0.445 312 K N 4.080 124.467 120.400 -0.021 0.000 2.185 312 K HA 0.429 4.748 4.320 -0.001 0.000 0.271 312 K C -0.925 175.638 176.600 -0.063 0.000 1.013 312 K CA -0.419 55.852 56.287 -0.026 0.000 0.943 312 K CB 1.211 33.709 32.500 -0.003 0.000 0.998 312 K HN 0.246 nan 8.250 nan 0.000 0.468 313 V N 4.939 124.828 119.914 -0.042 0.000 2.350 313 V HA 0.417 4.537 4.120 -0.001 0.000 0.276 313 V C 0.035 176.094 176.094 -0.058 0.000 1.028 313 V CA -0.572 61.683 62.300 -0.075 0.000 0.860 313 V CB 0.603 32.399 31.823 -0.046 0.000 0.990 313 V HN 0.533 nan 8.190 nan 0.000 0.453 314 I N 7.001 127.491 120.570 -0.133 0.000 2.595 314 I HA 0.326 4.496 4.170 -0.001 0.000 0.275 314 I C -2.538 173.505 176.117 -0.125 0.000 1.092 314 I CA -1.899 59.358 61.300 -0.072 0.000 1.145 314 I CB 1.913 39.840 38.000 -0.122 0.000 1.276 314 I HN 0.404 nan 8.210 nan 0.000 0.497 315 P HA -0.093 nan 4.420 nan 0.000 0.264 315 P C -0.184 176.981 177.300 -0.224 0.000 1.183 315 P CA 0.448 63.367 63.100 -0.301 0.000 0.763 315 P CB 0.280 31.611 31.700 -0.616 0.000 0.807 316 H N 2.474 121.446 119.070 -0.164 0.000 2.757 316 H HA 0.430 4.986 4.556 -0.001 0.000 0.370 316 H C -0.777 174.565 175.328 0.025 0.000 1.172 316 H CA -0.156 55.860 56.048 -0.053 0.000 1.426 316 H CB 0.697 30.430 29.762 -0.048 0.000 1.438 316 H HN 0.443 nan 8.280 nan 0.000 0.612 317 A N 3.092 125.624 122.820 -0.481 0.000 2.449 317 A HA 0.467 4.786 4.320 -0.001 0.000 0.302 317 A C -0.553 176.830 177.584 -0.335 0.000 1.048 317 A CA -0.322 51.615 52.037 -0.166 0.000 0.708 317 A CB 1.920 20.964 19.000 0.073 0.000 1.274 317 A HN 0.728 nan 8.150 nan 0.000 0.410 318 T N 1.239 115.793 114.554 0.001 0.000 2.901 318 T HA 0.525 4.875 4.350 -0.001 0.000 0.293 318 T C -0.420 174.336 174.700 0.093 0.000 1.084 318 T CA -0.580 61.536 62.100 0.028 0.000 1.008 318 T CB 0.767 69.678 68.868 0.071 0.000 1.170 318 T HN 0.712 nan 8.240 nan 0.000 0.509 319 I N 2.473 123.059 120.570 0.027 0.000 2.710 319 I HA 0.485 4.654 4.170 -0.001 0.000 0.286 319 I C 0.871 176.991 176.117 0.004 0.000 1.181 319 I CA 1.236 62.540 61.300 0.006 0.000 1.430 319 I CB 0.207 38.215 38.000 0.014 0.000 1.367 319 I HN 0.975 nan 8.210 nan 0.000 0.577 320 G N 4.716 113.451 108.800 -0.109 0.000 2.488 320 G HA2 0.478 4.437 3.960 -0.001 0.000 0.301 320 G HA3 0.478 4.437 3.960 -0.001 0.000 0.301 320 G C -0.024 174.694 174.900 -0.303 0.000 1.339 320 G CA 0.068 44.988 45.100 -0.301 0.000 0.803 320 G HN 0.632 nan 8.290 nan 0.000 0.482 321 A N -1.776 120.823 122.820 -0.369 0.000 2.016 321 A HA 0.490 4.810 4.320 -0.001 0.000 0.217 321 A C 1.925 179.342 177.584 -0.277 0.000 1.162 321 A CA 2.036 53.910 52.037 -0.271 0.000 0.662 321 A CB -0.456 18.391 19.000 -0.254 0.000 0.812 321 A HN 2.683 nan 8.150 nan 0.000 0.450 322 G N -1.462 107.107 108.800 -0.385 0.000 2.229 322 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.189 322 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.189 322 G C 0.811 175.549 174.900 -0.270 0.000 1.000 322 G CA 0.255 45.185 45.100 -0.283 0.000 0.663 322 G HN 0.184 nan 8.290 nan 0.000 0.493 323 I N 1.550 121.932 120.570 -0.314 0.000 2.133 323 I HA 0.026 4.196 4.170 -0.001 0.000 0.238 323 I C 2.739 178.810 176.117 -0.077 0.000 1.074 323 I CA 2.124 63.331 61.300 -0.157 0.000 1.342 323 I CB -1.691 36.268 38.000 -0.068 0.000 1.053 323 I HN 0.371 nan 8.210 nan 0.000 0.404 324 F N 1.061 121.010 119.950 -0.002 0.000 2.365 324 F HA -0.055 4.472 4.527 -0.001 0.000 0.300 324 F C 2.159 177.939 175.800 -0.033 0.000 1.090 324 F CA 0.380 58.376 58.000 -0.008 0.000 1.408 324 F CB -1.559 37.456 39.000 0.025 0.000 1.060 324 F HN -0.025 nan 8.300 nan 0.000 0.534 325 L N 1.944 123.203 121.223 0.060 0.000 2.017 325 L HA 0.042 4.382 4.340 -0.001 0.000 0.208 325 L C 2.490 179.317 176.870 -0.072 0.000 1.073 325 L CA 1.895 56.754 54.840 0.032 0.000 0.745 325 L CB -1.491 40.526 42.059 -0.070 0.000 0.894 325 L HN 0.205 nan 8.230 nan 0.000 0.432 326 A N -0.532 122.237 122.820 -0.085 0.000 1.933 326 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 326 A C 2.445 179.976 177.584 -0.088 0.000 1.175 326 A CA 1.870 53.854 52.037 -0.088 0.000 0.628 326 A CB -1.154 17.808 19.000 -0.064 0.000 0.814 326 A HN 0.591 nan 8.150 nan 0.000 0.444 327 A N -0.942 121.842 122.820 -0.060 0.000 1.933 327 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 327 A C 2.470 179.905 177.584 -0.248 0.000 1.175 327 A CA 2.108 54.074 52.037 -0.118 0.000 0.628 327 A CB -0.888 18.076 19.000 -0.060 0.000 0.814 327 A HN 0.545 nan 8.150 nan 0.000 0.444 328 S N -0.565 115.022 115.700 -0.188 0.000 2.383 328 S HA -0.056 4.414 4.470 -0.001 0.000 0.227 328 S C 1.891 176.393 174.600 -0.164 0.000 1.026 328 S CA 1.319 59.367 58.200 -0.253 0.000 0.981 328 S CB -0.444 62.838 63.200 0.137 0.000 0.818 328 S HN 0.499 nan 8.310 nan 0.000 0.472 329 L N 0.937 122.061 121.223 -0.164 0.000 2.109 329 L HA -0.048 4.292 4.340 -0.001 0.000 0.207 329 L C 2.943 179.741 176.870 -0.119 0.000 1.086 329 L CA 0.819 55.557 54.840 -0.168 0.000 0.760 329 L CB -0.573 41.339 42.059 -0.246 0.000 0.910 329 L HN 0.298 nan 8.230 nan 0.000 0.437 330 Q N 0.196 119.911 119.800 -0.141 0.000 2.084 330 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 330 Q C 2.438 178.344 176.000 -0.156 0.000 0.978 330 Q CA 1.870 57.599 55.803 -0.124 0.000 0.844 330 Q CB -0.329 28.336 28.738 -0.122 0.000 0.898 330 Q HN 0.534 nan 8.270 nan 0.000 0.426 331 A N 0.397 123.056 122.820 -0.270 0.000 1.930 331 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 331 A C 2.403 179.935 177.584 -0.087 0.000 1.175 331 A CA 1.533 53.394 52.037 -0.294 0.000 0.627 331 A CB -0.330 18.257 19.000 -0.687 0.000 0.815 331 A HN 0.299 nan 8.150 nan 0.000 0.443 332 S N -0.053 115.627 115.700 -0.033 0.000 2.423 332 S HA 0.037 4.506 4.470 -0.001 0.000 0.231 332 S C 2.081 176.723 174.600 0.070 0.000 1.014 332 S CA 0.905 59.170 58.200 0.107 0.000 0.965 332 S CB -0.272 63.042 63.200 0.190 0.000 0.785 332 S HN 0.763 nan 8.310 nan 0.000 0.495 333 A N 0.772 123.603 122.820 0.019 0.000 2.119 333 A HA 0.397 4.717 4.320 -0.001 0.000 0.217 333 A C 2.061 179.659 177.584 0.023 0.000 1.153 333 A CA 1.170 53.219 52.037 0.020 0.000 0.692 333 A CB -0.436 18.564 19.000 0.001 0.000 0.799 333 A HN 0.482 nan 8.150 nan 0.000 0.458 334 A N -0.876 121.952 122.820 0.014 0.000 2.115 334 A HA 0.457 4.777 4.320 -0.001 0.000 0.211 334 A C 0.806 178.418 177.584 0.046 0.000 1.169 334 A CA -0.125 51.922 52.037 0.017 0.000 0.787 334 A CB -0.102 18.888 19.000 -0.015 0.000 0.858 334 A HN 0.366 nan 8.150 nan 0.000 0.474 335 L N 0.225 121.492 121.223 0.074 0.000 2.360 335 L HA 0.281 4.621 4.340 -0.001 0.000 0.276 335 L C 1.729 178.667 176.870 0.112 0.000 1.121 335 L CA -0.307 54.596 54.840 0.106 0.000 0.845 335 L CB 1.310 43.454 42.059 0.141 0.000 1.143 335 L HN 0.330 nan 8.230 nan 0.000 0.452 336 A N 3.580 126.490 122.820 0.151 0.000 1.908 336 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 336 A C 1.362 178.998 177.584 0.087 0.000 1.181 336 A CA 1.942 54.068 52.037 0.149 0.000 0.627 336 A CB -0.424 18.747 19.000 0.285 0.000 0.818 336 A HN 0.907 nan 8.150 nan 0.000 0.445 337 N N -0.558 118.189 118.700 0.079 0.000 2.321 337 N HA 0.168 4.908 4.740 -0.001 0.000 0.242 337 N C -0.684 174.857 175.510 0.052 0.000 1.141 337 N CA -0.174 52.892 53.050 0.026 0.000 0.864 337 N CB 0.016 38.475 38.487 -0.046 0.000 1.100 337 N HN 0.081 nan 8.380 nan 0.000 0.510 338 V N 1.489 121.453 119.914 0.083 0.000 2.405 338 V HA -0.001 4.119 4.120 -0.001 0.000 0.264 338 V C 0.971 177.136 176.094 0.119 0.000 1.048 338 V CA -0.005 62.357 62.300 0.104 0.000 0.966 338 V CB 0.658 32.565 31.823 0.140 0.000 1.015 338 V HN 0.206 nan 8.190 nan 0.000 0.477 339 D N 3.300 123.777 120.400 0.128 0.000 2.087 339 D HA -0.014 4.625 4.640 -0.001 0.000 0.201 339 D C 0.876 177.310 176.300 0.224 0.000 0.980 339 D CA 1.590 55.690 54.000 0.166 0.000 0.849 339 D CB 0.359 41.276 40.800 0.196 0.000 1.001 339 D HN 0.757 nan 8.370 nan 0.000 0.452 340 C N -2.702 116.778 119.300 0.300 0.000 3.275 340 C HA 0.726 5.185 4.460 -0.001 0.000 0.373 340 C C -0.882 174.370 174.990 0.437 0.000 1.934 340 C CA -0.900 58.350 59.018 0.385 0.000 1.228 340 C CB 1.286 29.311 27.740 0.475 0.000 2.317 340 C HN 0.425 nan 8.230 nan 0.000 0.437 341 H N 0.357 119.670 119.070 0.406 0.000 2.894 341 H HA 0.490 5.045 4.556 -0.001 0.000 0.367 341 H C -1.092 174.398 175.328 0.270 0.000 1.144 341 H CA 0.097 56.335 56.048 0.317 0.000 1.180 341 H CB 2.000 31.896 29.762 0.224 0.000 1.758 341 H HN 0.955 nan 8.280 nan 0.000 0.541 342 E N 2.743 123.116 120.200 0.287 0.000 2.404 342 E HA 0.205 4.555 4.350 -0.001 0.000 0.261 342 E C -1.166 175.587 176.600 0.255 0.000 1.074 342 E CA -0.173 56.106 56.400 -0.201 0.000 0.917 342 E CB 0.656 30.226 29.700 -0.218 0.000 0.965 342 E HN 0.286 nan 8.360 nan 0.000 0.433 343 F N 2.330 122.177 119.950 -0.172 0.000 2.569 343 F HA 0.375 4.901 4.527 -0.001 0.000 0.312 343 F C -1.031 174.663 175.800 -0.178 0.000 1.109 343 F CA -0.358 57.617 58.000 -0.041 0.000 0.919 343 F CB 1.510 40.430 39.000 -0.134 0.000 1.211 343 F HN 0.468 nan 8.300 nan 0.000 0.446 353 R N 1.388 121.865 120.500 -0.038 0.000 2.297 353 R HA 0.305 4.645 4.340 -0.001 0.000 0.197 353 R C 1.383 177.640 176.300 -0.071 0.000 0.943 353 R CA 0.586 56.658 56.100 -0.045 0.000 1.038 353 R CB 0.136 30.413 30.300 -0.038 0.000 0.957 353 R HN 0.330 nan 8.270 nan 0.000 0.484 354 L N 0.091 121.259 121.223 -0.091 0.000 2.425 354 L HA 0.258 4.598 4.340 -0.001 0.000 0.215 354 L C 0.575 177.349 176.870 -0.161 0.000 1.065 354 L CA 0.324 55.085 54.840 -0.132 0.000 0.842 354 L CB 0.011 41.979 42.059 -0.151 0.000 1.033 354 L HN -0.057 nan 8.230 nan 0.000 0.474 355 L N 0.065 121.205 121.223 -0.138 0.000 2.322 355 L HA 0.558 4.898 4.340 -0.001 0.000 0.269 355 L C -0.333 176.476 176.870 -0.101 0.000 1.012 355 L CA -1.031 53.721 54.840 -0.147 0.000 0.815 355 L CB 1.802 43.777 42.059 -0.141 0.000 1.295 355 L HN -0.253 nan 8.230 nan 0.000 0.438 356 V N -1.314 118.544 119.914 -0.094 0.000 2.630 356 V HA 1.083 5.202 4.120 -0.001 0.000 0.305 356 V C 0.110 176.176 176.094 -0.046 0.000 1.046 356 V CA 0.052 62.316 62.300 -0.059 0.000 0.934 356 V CB 0.946 32.741 31.823 -0.047 0.000 1.003 356 V HN 1.063 nan 8.190 nan 0.000 0.451 357 G N 3.063 111.845 108.800 -0.030 0.000 2.359 357 G HA2 0.362 4.321 3.960 -0.001 0.000 0.314 357 G HA3 0.362 4.321 3.960 -0.001 0.000 0.314 357 G C -1.584 173.306 174.900 -0.016 0.000 1.364 357 G CA -0.168 44.920 45.100 -0.021 0.000 0.978 357 G HN 1.302 nan 8.290 nan 0.000 0.615 361 C N 2.674 121.894 119.300 -0.133 0.000 2.383 361 C HA 0.854 5.313 4.460 -0.001 0.000 0.330 361 C C -1.445 173.337 174.990 -0.346 0.000 1.168 361 C CA -0.304 58.458 59.018 -0.427 0.000 1.374 361 C CB -1.122 26.074 27.740 -0.907 0.000 2.014 361 C HN 0.404 nan 8.230 nan 0.000 0.439 362 L N 3.999 125.035 121.223 -0.312 0.000 2.466 362 L HA 0.706 5.045 4.340 -0.001 0.000 0.258 362 L C 0.179 176.873 176.870 -0.293 0.000 0.973 362 L CA -0.406 54.301 54.840 -0.222 0.000 0.826 362 L CB 1.122 43.114 42.059 -0.112 0.000 1.372 362 L HN 0.612 nan 8.230 nan 0.000 0.409 363 N N 1.208 119.753 118.700 -0.259 0.000 2.721 363 N HA -0.223 4.517 4.740 -0.001 0.000 0.249 363 N C 0.918 176.110 175.510 -0.531 0.000 1.072 363 N CA 1.333 54.207 53.050 -0.294 0.000 0.710 363 N CB -0.977 37.406 38.487 -0.174 0.000 0.993 363 N HN 1.585 nan 8.380 nan 0.000 0.547 364 G N -0.483 107.672 108.800 -1.075 0.000 2.198 364 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.257 364 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.257 364 G C -0.305 174.181 174.900 -0.690 0.000 1.042 364 G CA 0.786 45.050 45.100 -1.395 0.000 0.791 364 G HN 0.625 nan 8.290 nan 0.000 0.502 365 E N -1.405 118.447 120.200 -0.581 0.000 2.343 365 E HA 0.488 4.838 4.350 -0.001 0.000 0.278 365 E C -0.994 175.395 176.600 -0.352 0.000 0.910 365 E CA -0.924 55.280 56.400 -0.327 0.000 0.757 365 E CB 1.509 31.088 29.700 -0.202 0.000 1.218 365 E HN 0.165 nan 8.360 nan 0.000 0.435 366 Y N 0.632 120.830 120.300 -0.170 0.000 2.301 366 Y HA 0.272 4.821 4.550 -0.000 0.000 0.325 366 Y C 0.136 175.969 175.900 -0.112 0.000 1.203 366 Y CA -0.344 57.663 58.100 -0.156 0.000 1.255 366 Y CB 1.119 39.482 38.460 -0.161 0.000 1.232 366 Y HN 0.189 nan 8.280 nan 0.000 0.501 367 V N 4.511 124.476 119.914 0.085 0.000 2.347 367 V HA 0.209 4.329 4.120 -0.001 0.000 0.280 367 V C -0.501 175.612 176.094 0.032 0.000 1.021 367 V CA -1.051 61.269 62.300 0.032 0.000 0.847 367 V CB 1.153 32.976 31.823 0.000 0.000 0.990 367 V HN 0.486 nan 8.190 nan 0.000 0.444 368 V N 8.905 128.828 119.914 0.015 0.000 2.521 368 V HA 0.148 4.268 4.120 -0.001 0.000 0.286 368 V C -1.636 174.454 176.094 -0.006 0.000 1.034 368 V CA -1.169 61.127 62.300 -0.007 0.000 1.045 368 V CB 0.660 32.478 31.823 -0.008 0.000 0.974 368 V HN 0.749 nan 8.190 nan 0.000 0.480 369 P HA 0.089 nan 4.420 nan 0.000 0.267 369 P C 0.773 178.072 177.300 -0.002 0.000 1.200 369 P CA 0.077 63.173 63.100 -0.008 0.000 0.772 369 P CB 0.547 32.239 31.700 -0.014 0.000 0.855 370 T N -1.428 113.127 114.554 0.003 0.000 3.040 370 T HA 0.185 4.534 4.350 -0.001 0.000 0.252 370 T C 1.209 175.917 174.700 0.014 0.000 1.064 370 T CA 0.327 62.432 62.100 0.008 0.000 1.110 370 T CB -0.628 68.244 68.868 0.007 0.000 0.921 370 T HN 0.475 nan 8.240 nan 0.000 0.480 371 G N 3.343 112.152 108.800 0.015 0.000 2.712 371 G HA2 0.463 4.422 3.960 -0.001 0.000 0.258 371 G HA3 0.463 4.422 3.960 -0.001 0.000 0.258 371 G C -2.401 172.518 174.900 0.031 0.000 1.241 371 G CA -1.083 44.031 45.100 0.022 0.000 0.923 371 G HN 0.257 nan 8.290 nan 0.000 0.548 372 P HA 0.338 nan 4.420 nan 0.000 0.274 372 P C 0.897 178.229 177.300 0.052 0.000 1.237 372 P CA 0.977 64.106 63.100 0.049 0.000 0.793 372 P CB 0.753 32.484 31.700 0.052 0.000 0.977 373 G N 0.780 109.617 108.800 0.062 0.000 2.528 373 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.262 373 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.262 373 G C 0.501 175.438 174.900 0.061 0.000 1.200 373 G CA 0.145 45.286 45.100 0.069 0.000 0.951 373 G HN 0.436 nan 8.290 nan 0.000 0.566 374 L N 2.095 123.355 121.223 0.061 0.000 2.201 374 L HA 0.314 4.654 4.340 -0.001 0.000 0.212 374 L C 2.883 179.762 176.870 0.015 0.000 1.105 374 L CA 2.726 57.587 54.840 0.034 0.000 0.775 374 L CB -1.040 41.046 42.059 0.044 0.000 0.913 374 L HN 2.371 nan 8.230 nan 0.000 0.440 375 G N -1.043 107.772 108.800 0.025 0.000 2.176 375 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.232 375 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.232 375 G C 0.300 175.202 174.900 0.002 0.000 0.986 375 G CA 0.282 45.389 45.100 0.013 0.000 0.643 375 G HN 0.534 nan 8.290 nan 0.000 0.522 376 V N -3.225 116.689 119.914 0.000 0.000 2.962 376 V HA 0.974 5.093 4.120 -0.001 0.000 0.313 376 V C -0.656 175.420 176.094 -0.030 0.000 1.099 376 V CA -1.074 61.208 62.300 -0.029 0.000 0.971 376 V CB 2.182 33.970 31.823 -0.058 0.000 1.028 376 V HN 0.302 nan 8.190 nan 0.000 0.430 377 E N 2.298 122.446 120.200 -0.086 0.000 2.383 377 E HA 0.548 4.898 4.350 -0.001 0.000 0.275 377 E C -3.022 173.398 176.600 -0.300 0.000 0.918 377 E CA -2.195 54.110 56.400 -0.159 0.000 0.764 377 E CB 3.155 32.835 29.700 -0.033 0.000 1.252 377 E HN 0.622 nan 8.360 nan 0.000 0.449 378 P HA -0.021 nan 4.420 nan 0.000 0.268 378 P C -0.606 176.510 177.300 -0.306 0.000 1.204 378 P CA -0.061 62.722 63.100 -0.529 0.000 0.768 378 P CB 0.593 31.743 31.700 -0.918 0.000 0.842 379 S N 2.389 117.958 115.700 -0.217 0.000 2.589 379 S HA 0.105 4.574 4.470 -0.001 0.000 0.265 379 S C 1.376 175.903 174.600 -0.122 0.000 1.342 379 S CA -0.415 57.704 58.200 -0.135 0.000 1.005 379 S CB 0.606 63.742 63.200 -0.106 0.000 0.909 379 S HN 0.424 nan 8.310 nan 0.000 0.555 380 K N 0.934 121.290 120.400 -0.074 0.000 2.044 380 K HA -0.209 4.110 4.320 -0.001 0.000 0.210 380 K C 2.022 178.582 176.600 -0.066 0.000 1.049 380 K CA 2.022 58.277 56.287 -0.053 0.000 0.927 380 K CB -0.339 32.145 32.500 -0.028 0.000 0.713 380 K HN 0.784 nan 8.250 nan 0.000 0.443 381 E N -0.078 120.081 120.200 -0.067 0.000 2.038 381 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 381 E C 2.006 178.552 176.600 -0.091 0.000 1.000 381 E CA 1.363 57.723 56.400 -0.067 0.000 0.803 381 E CB -0.223 29.441 29.700 -0.060 0.000 0.750 381 E HN 0.444 nan 8.360 nan 0.000 0.448 382 A N 0.979 123.725 122.820 -0.124 0.000 1.940 382 A HA -0.301 4.018 4.320 -0.001 0.000 0.219 382 A C 2.117 179.585 177.584 -0.194 0.000 1.176 382 A CA 1.757 53.695 52.037 -0.164 0.000 0.631 382 A CB -0.544 18.329 19.000 -0.212 0.000 0.814 382 A HN 0.207 nan 8.150 nan 0.000 0.446 383 Q N -0.877 118.805 119.800 -0.197 0.000 2.170 383 Q HA -0.107 4.232 4.340 -0.001 0.000 0.203 383 Q C 1.898 177.824 176.000 -0.123 0.000 0.976 383 Q CA 1.379 57.069 55.803 -0.189 0.000 0.858 383 Q CB -0.431 28.242 28.738 -0.108 0.000 0.907 383 Q HN 0.646 nan 8.270 nan 0.000 0.433 384 G N -0.416 108.335 108.800 -0.082 0.000 2.598 384 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.215 384 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.215 384 G C 1.067 175.941 174.900 -0.042 0.000 1.131 384 G CA 0.187 45.260 45.100 -0.045 0.000 0.785 384 G HN 0.278 nan 8.290 nan 0.000 0.539 385 L N 0.011 121.192 121.223 -0.069 0.000 2.509 385 L HA 0.238 4.578 4.340 -0.001 0.000 0.222 385 L C 0.239 177.091 176.870 -0.029 0.000 1.123 385 L CA -0.532 54.276 54.840 -0.053 0.000 0.856 385 L CB -0.146 41.869 42.059 -0.074 0.000 0.985 385 L HN 0.022 nan 8.230 nan 0.000 0.456 386 L N 1.693 122.882 121.223 -0.056 0.000 2.534 386 L HA 0.028 4.368 4.340 -0.001 0.000 0.271 386 L C 0.511 177.491 176.870 0.183 0.000 1.178 386 L CA 0.691 55.532 54.840 0.002 0.000 0.907 386 L CB -0.132 41.739 42.059 -0.313 0.000 1.164 386 L HN 0.057 nan 8.230 nan 0.000 0.482 387 K N 4.487 125.032 120.400 0.241 0.000 2.234 387 K HA 0.189 4.509 4.320 -0.001 0.000 0.277 387 K C -0.093 176.703 176.600 0.326 0.000 1.038 387 K CA -0.703 55.725 56.287 0.235 0.000 0.888 387 K CB 0.644 33.235 32.500 0.152 0.000 1.091 387 K HN 0.371 nan 8.250 nan 0.000 0.467 388 K N 3.577 124.143 120.400 0.277 0.000 2.298 388 K HA 0.017 4.336 4.320 -0.001 0.000 0.280 388 K C -0.005 176.629 176.600 0.057 0.000 1.032 388 K CA -0.190 56.167 56.287 0.117 0.000 0.958 388 K CB 0.619 33.166 32.500 0.078 0.000 0.978 388 K HN 0.722 nan 8.250 nan 0.000 0.472 389 H N 0.000 118.994 119.070 -0.127 0.000 2.539 389 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 389 H CA 0.000 56.003 56.048 -0.075 0.000 1.023 389 H CB 0.000 29.716 29.762 -0.077 0.000 1.292 389 H HN 0.000 nan 8.280 nan 0.000 0.496