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 2hld_1_D DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.605 174.600 0.008 0.000 1.055 6 S CA 0.000 58.204 58.200 0.007 0.000 1.107 6 S CB 0.000 63.205 63.200 0.008 0.000 0.593 7 T N 2.839 117.399 114.554 0.011 0.000 3.631 7 T HA 0.446 4.796 4.350 0.000 0.000 0.256 7 T C -2.876 171.835 174.700 0.018 0.000 1.187 7 T CA -0.745 61.362 62.100 0.012 0.000 1.667 7 T CB -0.289 68.584 68.868 0.009 0.000 0.804 7 T HN 0.421 nan 8.240 nan 0.000 0.639 8 P HA 0.639 nan 4.420 nan 0.000 0.290 8 P C -0.722 176.606 177.300 0.046 0.000 1.275 8 P CA -0.686 62.433 63.100 0.031 0.000 0.841 8 P CB 1.579 33.295 31.700 0.027 0.000 1.042 9 I N 0.871 121.482 120.570 0.068 0.000 2.441 9 I HA 0.333 4.503 4.170 0.000 0.000 0.295 9 I C 0.186 176.403 176.117 0.167 0.000 0.994 9 I CA -0.261 61.105 61.300 0.110 0.000 1.144 9 I CB 2.073 40.135 38.000 0.105 0.000 1.314 9 I HN 0.282 nan 8.210 nan 0.000 0.445 10 T N 3.625 118.277 114.554 0.163 0.000 2.876 10 T HA 0.718 5.068 4.350 0.000 0.000 0.289 10 T C -0.130 174.505 174.700 -0.108 0.000 1.014 10 T CA -0.594 61.540 62.100 0.057 0.000 0.986 10 T CB 2.011 70.885 68.868 0.010 0.000 1.021 10 T HN 0.844 nan 8.240 nan 0.000 0.458 11 G N 1.391 109.920 108.800 -0.451 0.000 2.766 11 G HA2 0.742 4.702 3.960 0.000 0.000 0.288 11 G HA3 0.742 4.702 3.960 0.000 0.000 0.288 11 G C -1.757 172.882 174.900 -0.434 0.000 1.408 11 G CA -0.807 43.793 45.100 -0.833 0.000 0.852 11 G HN 0.560 nan 8.290 nan 0.000 0.487 12 K N 0.018 120.215 120.400 -0.339 0.000 2.397 12 K HA 0.514 4.834 4.320 0.000 0.000 0.253 12 K C -0.610 175.909 176.600 -0.134 0.000 0.932 12 K CA -0.716 55.468 56.287 -0.172 0.000 0.795 12 K CB 2.901 35.340 32.500 -0.103 0.000 1.159 12 K HN 0.254 nan 8.250 nan 0.000 0.424 13 V N 2.718 122.576 119.914 -0.093 0.000 2.599 13 V HA -0.067 4.053 4.120 0.000 0.000 0.300 13 V C 1.343 177.414 176.094 -0.039 0.000 1.034 13 V CA 0.930 63.198 62.300 -0.053 0.000 1.115 13 V CB 0.751 32.551 31.823 -0.038 0.000 0.934 13 V HN 1.083 nan 8.190 nan 0.000 0.485 14 T N 0.749 115.292 114.554 -0.018 0.000 2.958 14 T HA 0.606 4.957 4.350 0.000 0.000 0.256 14 T C 0.261 174.957 174.700 -0.007 0.000 0.983 14 T CA 0.459 62.550 62.100 -0.014 0.000 0.924 14 T CB 0.607 69.476 68.868 0.002 0.000 1.136 14 T HN 1.084 nan 8.240 nan 0.000 0.506 15 A N 0.571 123.391 122.820 -0.000 0.000 2.566 15 A HA 0.701 5.021 4.320 0.000 0.000 0.297 15 A C -1.661 175.925 177.584 0.004 0.000 1.059 15 A CA -0.710 51.329 52.037 0.002 0.000 0.691 15 A CB 1.865 20.869 19.000 0.008 0.000 1.282 15 A HN 0.382 nan 8.150 nan 0.000 0.401 16 V N 2.666 122.580 119.914 0.001 0.000 2.488 16 V HA 0.459 4.579 4.120 0.000 0.000 0.293 16 V C -0.842 175.253 176.094 0.002 0.000 1.027 16 V CA -0.025 62.277 62.300 0.002 0.000 0.862 16 V CB 1.174 32.997 31.823 -0.000 0.000 1.008 16 V HN 0.708 nan 8.190 nan 0.000 0.428 17 I N 4.465 125.037 120.570 0.004 0.000 2.466 17 I HA 0.619 4.789 4.170 0.000 0.000 0.279 17 I C 1.139 177.257 176.117 0.002 0.000 1.033 17 I CA -0.011 61.290 61.300 0.002 0.000 1.123 17 I CB 1.312 39.314 38.000 0.003 0.000 1.237 17 I HN 0.821 nan 8.210 nan 0.000 0.460 18 G N 4.989 113.789 108.800 0.001 0.000 2.634 18 G HA2 -0.403 3.557 3.960 0.000 0.000 0.318 18 G HA3 -0.403 3.557 3.960 0.000 0.000 0.318 18 G C 0.937 175.838 174.900 0.002 0.000 1.207 18 G CA 0.709 45.809 45.100 -0.000 0.000 0.987 18 G HN 0.758 nan 8.290 nan 0.000 0.547 19 A N -0.589 122.231 122.820 0.001 0.000 2.132 19 A HA 0.527 4.847 4.320 0.000 0.000 0.213 19 A C 1.107 178.696 177.584 0.008 0.000 1.154 19 A CA 1.106 53.145 52.037 0.003 0.000 0.753 19 A CB -0.008 18.992 19.000 -0.000 0.000 0.826 19 A HN 0.616 nan 8.150 nan 0.000 0.469 20 I N 1.315 121.890 120.570 0.008 0.000 2.342 20 I HA 0.303 4.473 4.170 0.000 0.000 0.291 20 I C -0.598 175.529 176.117 0.016 0.000 1.010 20 I CA -0.558 60.750 61.300 0.013 0.000 1.308 20 I CB 0.937 38.944 38.000 0.012 0.000 1.400 20 I HN -0.118 nan 8.210 nan 0.000 0.488 21 V N 5.812 125.740 119.914 0.023 0.000 2.483 21 V HA 0.373 4.494 4.120 0.000 0.000 0.297 21 V C -0.585 175.529 176.094 0.034 0.000 1.027 21 V CA -0.855 61.459 62.300 0.023 0.000 0.855 21 V CB 2.173 34.009 31.823 0.022 0.000 0.995 21 V HN 0.551 nan 8.190 nan 0.000 0.424 22 D N 3.328 123.746 120.400 0.030 0.000 2.193 22 D HA 0.626 5.266 4.640 0.000 0.000 0.244 22 D C -0.563 175.759 176.300 0.037 0.000 1.064 22 D CA -0.070 53.956 54.000 0.042 0.000 0.845 22 D CB 2.293 43.116 40.800 0.039 0.000 1.148 22 D HN 0.280 nan 8.370 nan 0.000 0.464 23 V N 2.641 122.590 119.914 0.060 0.000 2.577 23 V HA 0.184 4.304 4.120 0.000 0.000 0.303 23 V C -0.361 175.756 176.094 0.039 0.000 1.042 23 V CA -0.852 61.454 62.300 0.010 0.000 0.872 23 V CB 2.079 33.910 31.823 0.015 0.000 0.998 23 V HN 0.560 nan 8.190 nan 0.000 0.423 24 H N 4.520 123.501 119.070 -0.149 0.000 2.488 24 H HA 0.606 5.162 4.556 0.000 0.000 0.322 24 H C -1.777 173.417 175.328 -0.224 0.000 1.078 24 H CA -0.336 55.662 56.048 -0.083 0.000 1.260 24 H CB 1.253 30.978 29.762 -0.062 0.000 1.425 24 H HN 0.478 nan 8.280 nan 0.000 0.471 25 F N 1.911 121.611 119.950 -0.417 0.000 2.575 25 F HA 0.207 4.734 4.527 0.000 0.000 0.330 25 F C 0.799 176.400 175.800 -0.332 0.000 1.056 25 F CA -0.909 56.949 58.000 -0.237 0.000 0.964 25 F CB 1.066 39.949 39.000 -0.195 0.000 1.258 25 F HN 0.464 nan 8.300 nan 0.000 0.484 26 E N 0.285 120.544 120.200 0.098 0.000 2.416 26 E HA 0.006 4.356 4.350 0.000 0.000 0.254 26 E C -0.515 176.095 176.600 0.017 0.000 1.241 26 E CA -0.268 56.172 56.400 0.066 0.000 0.969 26 E CB 0.292 30.042 29.700 0.082 0.000 0.999 26 E HN 0.501 nan 8.360 nan 0.000 0.481 27 Q N 0.325 120.136 119.800 0.019 0.000 2.330 27 Q HA -0.003 4.337 4.340 0.000 0.000 0.279 27 Q C -0.081 175.911 176.000 -0.014 0.000 1.024 27 Q CA 0.875 56.676 55.803 -0.002 0.000 0.900 27 Q CB 0.294 29.039 28.738 0.012 0.000 1.221 27 Q HN 0.658 nan 8.270 nan 0.000 0.396 28 S N 1.683 117.364 115.700 -0.032 0.000 3.462 28 S HA -0.294 4.176 4.470 0.000 0.000 0.370 28 S C 0.018 174.592 174.600 -0.044 0.000 1.028 28 S CA 1.591 59.770 58.200 -0.035 0.000 1.119 28 S CB -1.786 61.404 63.200 -0.017 0.000 0.906 28 S HN 0.879 nan 8.310 nan 0.000 0.471 29 E N -0.564 119.595 120.200 -0.069 0.000 3.029 29 E HA 0.424 4.774 4.350 0.000 0.000 0.196 29 E C 0.049 176.518 176.600 -0.218 0.000 0.973 29 E CA -0.883 55.464 56.400 -0.088 0.000 1.242 29 E CB 0.109 29.793 29.700 -0.028 0.000 1.056 29 E HN 0.673 nan 8.360 nan 0.000 0.469 30 L N 2.845 123.905 121.223 -0.272 0.000 2.453 30 L HA 0.277 4.617 4.340 0.000 0.000 0.272 30 L C -1.676 174.945 176.870 -0.414 0.000 1.182 30 L CA -1.644 52.897 54.840 -0.499 0.000 0.858 30 L CB -0.195 41.558 42.059 -0.511 0.000 1.120 30 L HN 0.160 nan 8.230 nan 0.000 0.474 31 P HA 0.176 nan 4.420 nan 0.000 0.275 31 P C -0.714 176.559 177.300 -0.045 0.000 1.228 31 P CA -0.501 62.420 63.100 -0.298 0.000 0.786 31 P CB 1.035 32.515 31.700 -0.367 0.000 0.927 32 A N 3.473 126.279 122.820 -0.023 0.000 2.386 32 A HA 0.262 4.582 4.320 0.000 0.000 0.248 32 A C 0.643 178.214 177.584 -0.022 0.000 1.082 32 A CA -0.563 51.469 52.037 -0.008 0.000 0.789 32 A CB -0.487 18.481 19.000 -0.053 0.000 1.025 32 A HN 0.552 nan 8.150 nan 0.000 0.490 33 I N 1.127 121.632 120.570 -0.109 0.000 2.775 33 I HA -0.081 4.089 4.170 0.000 0.000 0.290 33 I C 0.715 176.760 176.117 -0.119 0.000 1.203 33 I CA 0.938 62.171 61.300 -0.112 0.000 1.433 33 I CB 0.124 38.013 38.000 -0.185 0.000 1.354 33 I HN 0.744 nan 8.210 nan 0.000 0.579 34 L N 2.106 123.260 121.223 -0.115 0.000 4.383 34 L HA -0.249 4.091 4.340 0.000 0.000 0.402 34 L C 0.196 177.034 176.870 -0.053 0.000 0.803 34 L CA -0.006 54.731 54.840 -0.171 0.000 2.175 34 L CB -1.585 40.245 42.059 -0.382 0.000 1.434 34 L HN 0.678 nan 8.230 nan 0.000 0.591 35 N N 1.256 119.941 118.700 -0.026 0.000 2.441 35 N HA 0.453 5.193 4.740 0.000 0.000 0.251 35 N C 0.323 175.852 175.510 0.032 0.000 1.242 35 N CA 0.950 54.002 53.050 0.003 0.000 0.898 35 N CB 0.795 39.273 38.487 -0.016 0.000 1.100 35 N HN 0.314 nan 8.380 nan 0.000 0.443 36 A N 2.377 125.223 122.820 0.042 0.000 2.331 36 A HA 0.560 4.880 4.320 0.000 0.000 0.283 36 A C -0.277 177.341 177.584 0.056 0.000 1.142 36 A CA -0.421 51.647 52.037 0.051 0.000 0.812 36 A CB 0.077 19.105 19.000 0.046 0.000 1.074 36 A HN 0.618 nan 8.150 nan 0.000 0.497 37 L N 1.521 122.786 121.223 0.070 0.000 2.319 37 L HA 0.608 4.948 4.340 0.000 0.000 0.267 37 L C -0.060 176.849 176.870 0.065 0.000 1.011 37 L CA -0.570 54.325 54.840 0.091 0.000 0.818 37 L CB 1.951 44.095 42.059 0.141 0.000 1.316 37 L HN 0.744 nan 8.230 nan 0.000 0.432 38 E N 1.872 122.108 120.200 0.059 0.000 2.266 38 E HA 0.613 4.963 4.350 0.000 0.000 0.268 38 E C -1.322 175.294 176.600 0.027 0.000 0.879 38 E CA -0.602 55.821 56.400 0.038 0.000 0.762 38 E CB 3.195 32.913 29.700 0.030 0.000 1.199 38 E HN 0.375 nan 8.360 nan 0.000 0.422 39 I N 2.107 122.687 120.570 0.018 0.000 2.433 39 I HA 0.251 4.421 4.170 0.000 0.000 0.292 39 I C -0.154 175.967 176.117 0.006 0.000 1.001 39 I CA -0.844 60.460 61.300 0.007 0.000 1.119 39 I CB 1.732 39.734 38.000 0.003 0.000 1.289 39 I HN 0.249 nan 8.210 nan 0.000 0.438 40 K N 5.356 125.757 120.400 0.002 0.000 2.349 40 K HA 0.283 4.603 4.320 0.000 0.000 0.289 40 K C -0.368 176.232 176.600 -0.001 0.000 1.064 40 K CA -0.163 56.125 56.287 0.001 0.000 0.947 40 K CB 0.563 33.063 32.500 0.000 0.000 1.007 40 K HN 0.745 nan 8.250 nan 0.000 0.478 41 T N 1.778 116.333 114.554 0.001 0.000 2.918 41 T HA 0.328 4.678 4.350 0.000 0.000 0.286 41 T C -1.903 172.796 174.700 -0.001 0.000 1.026 41 T CA -2.042 60.057 62.100 -0.000 0.000 1.031 41 T CB 1.496 70.364 68.868 0.001 0.000 1.046 41 T HN 0.317 nan 8.240 nan 0.000 0.479 42 P HA -0.126 nan 4.420 nan 0.000 0.216 42 P C 1.523 178.822 177.300 -0.001 0.000 1.150 42 P CA 1.199 64.298 63.100 -0.001 0.000 0.843 42 P CB 0.178 31.877 31.700 -0.002 0.000 0.787 43 Q N -1.392 118.408 119.800 -0.000 0.000 1.946 43 Q HA 0.094 4.434 4.340 0.000 0.000 0.199 43 Q C 1.745 177.746 176.000 0.001 0.000 0.979 43 Q CA 1.668 57.471 55.803 0.000 0.000 0.834 43 Q CB -0.493 28.245 28.738 0.000 0.000 0.899 43 Q HN 0.274 nan 8.270 nan 0.000 0.431 44 G N -0.105 108.696 108.800 0.001 0.000 3.193 44 G HA2 0.275 4.235 3.960 0.000 0.000 0.186 44 G HA3 0.275 4.235 3.960 0.000 0.000 0.186 44 G C -1.226 173.676 174.900 0.003 0.000 1.536 44 G CA -0.274 44.827 45.100 0.002 0.000 0.943 44 G HN 0.182 nan 8.290 nan 0.000 0.781 45 K N -0.529 119.874 120.400 0.005 0.000 2.498 45 K HA 0.733 5.053 4.320 0.000 0.000 0.254 45 K C -1.961 174.645 176.600 0.009 0.000 0.933 45 K CA -0.821 55.470 56.287 0.007 0.000 0.806 45 K CB 2.691 35.196 32.500 0.008 0.000 1.301 45 K HN 0.431 nan 8.250 nan 0.000 0.432 46 L N 2.835 124.065 121.223 0.010 0.000 2.282 46 L HA 0.404 4.744 4.340 0.000 0.000 0.288 46 L C -1.254 175.627 176.870 0.019 0.000 1.033 46 L CA -0.463 54.385 54.840 0.013 0.000 0.807 46 L CB 1.769 43.834 42.059 0.011 0.000 1.209 46 L HN 0.565 nan 8.230 nan 0.000 0.423 47 V N 6.484 126.411 119.914 0.022 0.000 2.465 47 V HA 0.405 4.525 4.120 0.000 0.000 0.279 47 V C 0.124 176.239 176.094 0.035 0.000 1.045 47 V CA -0.429 61.888 62.300 0.029 0.000 0.938 47 V CB 1.252 33.092 31.823 0.028 0.000 0.986 47 V HN 0.630 nan 8.190 nan 0.000 0.467 48 L N 4.027 125.277 121.223 0.045 0.000 2.346 48 L HA 0.643 4.983 4.340 0.000 0.000 0.274 48 L C -0.075 176.831 176.870 0.060 0.000 1.007 48 L CA -0.465 54.406 54.840 0.051 0.000 0.818 48 L CB 1.947 44.040 42.059 0.057 0.000 1.284 48 L HN 0.605 nan 8.230 nan 0.000 0.424 49 E N 1.843 122.079 120.200 0.060 0.000 2.133 49 E HA 0.366 4.716 4.350 0.000 0.000 0.274 49 E C -1.110 175.524 176.600 0.055 0.000 0.930 49 E CA -0.777 55.662 56.400 0.064 0.000 0.770 49 E CB 1.890 31.640 29.700 0.083 0.000 1.104 49 E HN 0.361 nan 8.360 nan 0.000 0.403 50 V N 3.957 123.900 119.914 0.049 0.000 2.599 50 V HA 0.091 4.211 4.120 0.000 0.000 0.300 50 V C 0.880 176.991 176.094 0.028 0.000 1.034 50 V CA 1.018 63.350 62.300 0.052 0.000 1.115 50 V CB 0.871 32.726 31.823 0.053 0.000 0.934 50 V HN 0.900 nan 8.190 nan 0.000 0.485 51 A N 3.976 126.821 122.820 0.041 0.000 1.975 51 A HA 0.341 4.661 4.320 0.000 0.000 0.197 51 A C 0.670 178.265 177.584 0.018 0.000 1.537 51 A CA 0.098 52.145 52.037 0.017 0.000 0.972 51 A CB 0.429 19.442 19.000 0.022 0.000 1.019 51 A HN 0.737 nan 8.150 nan 0.000 0.488 52 Q N -0.506 119.333 119.800 0.065 0.000 2.421 52 Q HA 0.400 4.740 4.340 0.000 0.000 0.280 52 Q C -1.638 174.494 176.000 0.219 0.000 1.085 52 Q CA -0.562 55.289 55.803 0.081 0.000 0.807 52 Q CB 2.040 30.813 28.738 0.057 0.000 1.405 52 Q HN 0.638 nan 8.270 nan 0.000 0.419 53 H N 2.236 121.296 119.070 -0.016 0.000 2.640 53 H HA 0.199 4.755 4.556 0.000 0.000 0.297 53 H C 0.552 175.879 175.328 -0.001 0.000 1.073 53 H CA -0.255 55.785 56.048 -0.013 0.000 1.305 53 H CB 0.996 30.741 29.762 -0.029 0.000 1.404 53 H HN 0.446 nan 8.280 nan 0.000 0.459 54 L N 2.880 124.160 121.223 0.095 0.000 2.418 54 L HA 0.140 4.480 4.340 0.000 0.000 0.218 54 L C 1.194 178.094 176.870 0.049 0.000 1.125 54 L CA 0.568 55.445 54.840 0.062 0.000 0.835 54 L CB 0.073 42.163 42.059 0.051 0.000 0.953 54 L HN 0.893 nan 8.230 nan 0.000 0.454 55 G N -0.129 108.695 108.800 0.040 0.000 2.612 55 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 55 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 55 G C -0.051 174.863 174.900 0.023 0.000 1.274 55 G CA -0.469 44.648 45.100 0.030 0.000 0.849 55 G HN 0.263 nan 8.290 nan 0.000 0.595 56 E N 0.070 120.286 120.200 0.027 0.000 2.440 56 E HA -0.279 4.071 4.350 0.000 0.000 0.246 56 E C 0.818 177.446 176.600 0.047 0.000 1.165 56 E CA 0.672 57.104 56.400 0.053 0.000 0.726 56 E CB -1.055 28.690 29.700 0.075 0.000 1.271 56 E HN 1.116 nan 8.360 nan 0.000 0.397 57 N N -1.697 116.970 118.700 -0.055 0.000 2.708 57 N HA -0.150 4.590 4.740 0.000 0.000 0.251 57 N C -0.632 174.728 175.510 -0.249 0.000 1.123 57 N CA 1.942 54.868 53.050 -0.207 0.000 0.739 57 N CB -1.322 36.969 38.487 -0.327 0.000 1.113 57 N HN 0.280 nan 8.380 nan 0.000 0.561 58 T N 0.146 114.661 114.554 -0.066 0.000 2.823 58 T HA 0.624 4.974 4.350 0.000 0.000 0.279 58 T C 0.549 175.247 174.700 -0.003 0.000 0.998 58 T CA -0.672 61.441 62.100 0.023 0.000 0.994 58 T CB 2.628 71.557 68.868 0.102 0.000 0.960 58 T HN 0.146 nan 8.240 nan 0.000 0.448 59 V N 1.406 121.350 119.914 0.050 0.000 2.715 59 V HA 0.763 4.883 4.120 0.000 0.000 0.310 59 V C -0.313 175.834 176.094 0.088 0.000 1.054 59 V CA -1.381 60.949 62.300 0.050 0.000 0.928 59 V CB 1.715 33.559 31.823 0.035 0.000 1.007 59 V HN 0.838 nan 8.190 nan 0.000 0.437 60 R N 2.176 122.727 120.500 0.085 0.000 2.346 60 R HA 0.739 5.079 4.340 0.000 0.000 0.311 60 R C -0.114 176.227 176.300 0.069 0.000 0.983 60 R CA 0.319 56.460 56.100 0.069 0.000 0.880 60 R CB 1.506 31.838 30.300 0.053 0.000 1.100 60 R HN 1.172 nan 8.270 nan 0.000 0.453 61 T N 1.034 115.625 114.554 0.061 0.000 2.916 61 T HA 0.556 4.906 4.350 0.000 0.000 0.292 61 T C -0.115 174.610 174.700 0.042 0.000 1.064 61 T CA -0.864 61.270 62.100 0.058 0.000 1.011 61 T CB 1.208 70.118 68.868 0.071 0.000 1.152 61 T HN 0.426 nan 8.240 nan 0.000 0.510 62 I N 1.555 122.149 120.570 0.039 0.000 2.406 62 I HA 0.575 4.745 4.170 0.000 0.000 0.290 62 I C 0.678 176.815 176.117 0.032 0.000 0.999 62 I CA -1.227 60.091 61.300 0.030 0.000 1.124 62 I CB 1.618 39.635 38.000 0.027 0.000 1.289 62 I HN 0.977 nan 8.210 nan 0.000 0.441 63 A N 6.910 129.745 122.820 0.025 0.000 2.462 63 A HA 0.338 4.658 4.320 0.000 0.000 0.243 63 A C 0.793 178.391 177.584 0.023 0.000 1.076 63 A CA -0.080 51.971 52.037 0.023 0.000 0.773 63 A CB 0.353 19.363 19.000 0.017 0.000 1.010 63 A HN 0.751 nan 8.150 nan 0.000 0.493 64 M N 0.743 120.358 119.600 0.025 0.000 2.428 64 M HA 0.208 4.688 4.480 0.000 0.000 0.239 64 M C -0.029 176.282 176.300 0.019 0.000 1.121 64 M CA 0.443 55.757 55.300 0.024 0.000 1.019 64 M CB -0.931 31.685 32.600 0.027 0.000 1.485 64 M HN 0.789 nan 8.290 nan 0.000 0.484 65 D N -1.136 119.274 120.400 0.016 0.000 2.752 65 D HA 0.513 5.153 4.640 0.000 0.000 0.313 65 D C -0.481 175.825 176.300 0.010 0.000 1.225 65 D CA -0.228 53.780 54.000 0.012 0.000 0.976 65 D CB 1.426 42.233 40.800 0.012 0.000 1.443 65 D HN 0.107 nan 8.370 nan 0.000 0.515 66 G N -1.047 107.757 108.800 0.007 0.000 2.491 66 G HA2 0.350 4.310 3.960 0.000 0.000 0.242 66 G HA3 0.350 4.310 3.960 0.000 0.000 0.242 66 G C 0.846 175.749 174.900 0.005 0.000 1.266 66 G CA 0.463 45.566 45.100 0.005 0.000 0.844 66 G HN 0.409 nan 8.290 nan 0.000 0.571 67 T N -1.425 113.132 114.554 0.004 0.000 3.086 67 T HA 0.111 4.461 4.350 0.000 0.000 0.250 67 T C 0.832 175.533 174.700 0.001 0.000 1.074 67 T CA 0.102 62.204 62.100 0.003 0.000 0.988 67 T CB -0.014 68.857 68.868 0.004 0.000 0.988 67 T HN 0.657 nan 8.240 nan 0.000 0.530 68 E N 2.154 122.355 120.200 0.001 0.000 2.529 68 E HA 0.233 4.583 4.350 0.000 0.000 0.259 68 E C 1.164 177.763 176.600 -0.001 0.000 0.966 68 E CA 0.854 57.254 56.400 -0.001 0.000 0.937 68 E CB -0.046 29.654 29.700 -0.001 0.000 0.923 68 E HN 0.499 nan 8.360 nan 0.000 0.468 69 G N 2.849 111.648 108.800 -0.002 0.000 2.213 69 G HA2 -0.268 3.692 3.960 0.000 0.000 0.236 69 G HA3 -0.268 3.692 3.960 0.000 0.000 0.236 69 G C 0.337 175.235 174.900 -0.005 0.000 0.991 69 G CA 0.080 45.178 45.100 -0.003 0.000 0.629 69 G HN 0.498 nan 8.290 nan 0.000 0.517 70 L N 1.209 122.429 121.223 -0.004 0.000 2.490 70 L HA 0.439 4.779 4.340 0.000 0.000 0.274 70 L C 0.531 177.395 176.870 -0.009 0.000 1.201 70 L CA -0.136 54.700 54.840 -0.006 0.000 0.869 70 L CB 1.156 43.212 42.059 -0.005 0.000 1.123 70 L HN 0.012 nan 8.230 nan 0.000 0.484 71 V N 4.182 124.088 119.914 -0.013 0.000 2.495 71 V HA 0.342 4.462 4.120 0.000 0.000 0.298 71 V C 0.206 176.288 176.094 -0.020 0.000 1.031 71 V CA -0.894 61.397 62.300 -0.015 0.000 0.871 71 V CB 1.812 33.626 31.823 -0.016 0.000 0.988 71 V HN 0.684 nan 8.190 nan 0.000 0.432 72 R N 2.735 123.223 120.500 -0.021 0.000 2.537 72 R HA 0.347 4.687 4.340 0.000 0.000 0.281 72 R C 1.310 177.590 176.300 -0.033 0.000 0.988 72 R CA 1.116 57.200 56.100 -0.027 0.000 1.077 72 R CB 0.002 30.287 30.300 -0.025 0.000 0.932 72 R HN 1.200 nan 8.270 nan 0.000 0.409 73 G N 1.878 110.652 108.800 -0.042 0.000 2.176 73 G HA2 -0.304 3.656 3.960 0.000 0.000 0.232 73 G HA3 -0.304 3.656 3.960 0.000 0.000 0.232 73 G C 0.084 174.954 174.900 -0.049 0.000 0.986 73 G CA 0.048 45.119 45.100 -0.048 0.000 0.643 73 G HN 0.618 nan 8.290 nan 0.000 0.522 74 E N 1.104 121.278 120.200 -0.044 0.000 2.392 74 E HA 0.439 4.789 4.350 0.000 0.000 0.264 74 E C 0.570 177.135 176.600 -0.057 0.000 1.024 74 E CA -0.298 56.077 56.400 -0.041 0.000 0.903 74 E CB 0.312 29.993 29.700 -0.031 0.000 0.963 74 E HN 0.307 nan 8.360 nan 0.000 0.432 75 K N 2.154 122.524 120.400 -0.050 0.000 2.412 75 K HA 0.143 4.463 4.320 0.000 0.000 0.281 75 K C -1.055 175.509 176.600 -0.060 0.000 1.027 75 K CA -0.228 56.022 56.287 -0.061 0.000 0.989 75 K CB 0.912 33.389 32.500 -0.038 0.000 0.935 75 K HN 0.228 nan 8.250 nan 0.000 0.475 76 V N 5.004 124.860 119.914 -0.096 0.000 2.495 76 V HA 0.299 4.419 4.120 0.000 0.000 0.298 76 V C -0.636 175.455 176.094 -0.005 0.000 1.031 76 V CA -0.995 61.267 62.300 -0.062 0.000 0.871 76 V CB 1.521 33.279 31.823 -0.109 0.000 0.988 76 V HN 0.550 nan 8.190 nan 0.000 0.432 77 L N 3.662 124.916 121.223 0.051 0.000 2.295 77 L HA 0.583 4.923 4.340 0.000 0.000 0.285 77 L C -0.175 176.775 176.870 0.134 0.000 1.035 77 L CA 0.021 54.914 54.840 0.087 0.000 0.806 77 L CB 1.499 43.589 42.059 0.052 0.000 1.214 77 L HN 0.726 nan 8.230 nan 0.000 0.426 78 D N 1.329 121.828 120.400 0.166 0.000 2.304 78 D HA 0.162 4.802 4.640 0.000 0.000 0.250 78 D C 0.789 177.125 176.300 0.061 0.000 1.107 78 D CA 0.117 54.188 54.000 0.117 0.000 0.885 78 D CB 1.503 42.348 40.800 0.074 0.000 1.192 78 D HN 0.659 nan 8.370 nan 0.000 0.436 79 T N 0.392 114.971 114.554 0.042 0.000 3.086 79 T HA 0.354 4.704 4.350 0.000 0.000 0.250 79 T C 1.475 176.183 174.700 0.014 0.000 1.074 79 T CA 0.317 62.433 62.100 0.027 0.000 0.988 79 T CB 0.187 69.070 68.868 0.025 0.000 0.988 79 T HN 0.629 nan 8.240 nan 0.000 0.530 80 G N 0.393 109.196 108.800 0.005 0.000 2.299 80 G HA2 0.003 3.963 3.960 0.000 0.000 0.237 80 G HA3 0.003 3.963 3.960 0.000 0.000 0.237 80 G C 0.403 175.299 174.900 -0.007 0.000 1.027 80 G CA -0.214 44.883 45.100 -0.006 0.000 0.619 80 G HN 1.199 nan 8.290 nan 0.000 0.513 81 G N -0.534 108.267 108.800 0.002 0.000 2.866 81 G HA2 0.761 4.721 3.960 0.000 0.000 0.289 81 G HA3 0.761 4.721 3.960 0.000 0.000 0.289 81 G C -3.174 171.739 174.900 0.021 0.000 1.396 81 G CA -0.428 44.675 45.100 0.006 0.000 0.848 81 G HN 0.240 nan 8.290 nan 0.000 0.515 82 P HA 0.267 nan 4.420 nan 0.000 0.273 82 P C 0.143 177.484 177.300 0.068 0.000 1.250 82 P CA -0.421 62.729 63.100 0.084 0.000 0.793 82 P CB 0.595 32.385 31.700 0.151 0.000 1.011 83 I N 0.399 121.019 120.570 0.082 0.000 2.821 83 I HA -0.086 4.084 4.170 0.000 0.000 0.294 83 I C 0.724 176.845 176.117 0.008 0.000 1.210 83 I CA 1.153 62.475 61.300 0.037 0.000 1.430 83 I CB -0.202 37.816 38.000 0.030 0.000 1.356 83 I HN 0.242 nan 8.210 nan 0.000 0.563 84 S N 5.492 121.187 115.700 -0.008 0.000 2.565 84 S HA 0.674 5.144 4.470 0.000 0.000 0.290 84 S C -0.427 174.145 174.600 -0.046 0.000 1.150 84 S CA -0.751 57.431 58.200 -0.029 0.000 1.058 84 S CB 1.967 65.150 63.200 -0.029 0.000 1.032 84 S HN 0.486 nan 8.310 nan 0.000 0.510 85 V N 0.309 120.182 119.914 -0.068 0.000 2.789 85 V HA 0.740 4.860 4.120 0.000 0.000 0.311 85 V C -2.875 173.149 176.094 -0.116 0.000 1.073 85 V CA -2.895 59.356 62.300 -0.082 0.000 0.921 85 V CB 1.592 33.365 31.823 -0.084 0.000 1.009 85 V HN 0.633 nan 8.190 nan 0.000 0.426 86 P HA 0.351 nan 4.420 nan 0.000 0.271 86 P C -0.486 176.675 177.300 -0.233 0.000 1.218 86 P CA 0.118 63.121 63.100 -0.162 0.000 0.780 86 P CB 1.474 33.102 31.700 -0.120 0.000 0.901 87 V N -1.994 117.698 119.914 -0.370 0.000 3.078 87 V HA 0.970 5.090 4.120 0.000 0.000 0.311 87 V C 0.059 175.750 176.094 -0.671 0.000 1.138 87 V CA -0.090 61.868 62.300 -0.571 0.000 1.007 87 V CB 1.167 32.502 31.823 -0.813 0.000 1.045 87 V HN 1.048 nan 8.190 nan 0.000 0.432 88 G N 2.213 110.611 108.800 -0.672 0.000 2.466 88 G HA2 -0.101 3.859 3.960 0.000 0.000 0.316 88 G HA3 -0.101 3.859 3.960 0.000 0.000 0.316 88 G C 0.115 174.926 174.900 -0.150 0.000 1.270 88 G CA 0.021 44.906 45.100 -0.359 0.000 0.982 88 G HN 0.912 nan 8.290 nan 0.000 0.506 89 R N 0.287 120.790 120.500 0.006 0.000 2.189 89 R HA -0.030 4.310 4.340 0.000 0.000 0.223 89 R C 1.836 178.125 176.300 -0.019 0.000 1.092 89 R CA 1.404 57.506 56.100 0.003 0.000 0.989 89 R CB -0.103 30.190 30.300 -0.012 0.000 0.876 89 R HN 0.555 nan 8.270 nan 0.000 0.457 90 E N -0.116 120.063 120.200 -0.036 0.000 2.482 90 E HA -0.072 4.278 4.350 0.000 0.000 0.196 90 E C 1.675 178.262 176.600 -0.023 0.000 1.047 90 E CA 1.165 57.547 56.400 -0.031 0.000 0.869 90 E CB 0.082 29.756 29.700 -0.044 0.000 0.836 90 E HN 0.425 nan 8.360 nan 0.000 0.520 91 T N -1.697 112.846 114.554 -0.018 0.000 3.067 91 T HA 0.079 4.429 4.350 0.000 0.000 0.261 91 T C 1.218 175.947 174.700 0.048 0.000 1.110 91 T CA -0.133 61.971 62.100 0.007 0.000 1.113 91 T CB -0.122 68.745 68.868 -0.002 0.000 0.917 91 T HN -0.036 nan 8.240 nan 0.000 0.499 92 L N 2.011 123.260 121.223 0.044 0.000 2.540 92 L HA 0.368 4.708 4.340 0.000 0.000 0.276 92 L C 1.601 178.501 176.870 0.050 0.000 1.212 92 L CA 0.881 55.739 54.840 0.031 0.000 0.893 92 L CB -0.133 41.895 42.059 -0.050 0.000 1.138 92 L HN 0.574 nan 8.230 nan 0.000 0.491 93 G N 2.161 111.008 108.800 0.078 0.000 2.225 93 G HA2 -0.237 3.723 3.960 0.000 0.000 0.267 93 G HA3 -0.237 3.723 3.960 0.000 0.000 0.267 93 G C 0.131 175.106 174.900 0.125 0.000 1.024 93 G CA -0.161 45.005 45.100 0.110 0.000 0.784 93 G HN 0.490 nan 8.290 nan 0.000 0.507 94 R N -0.823 119.731 120.500 0.091 0.000 2.807 94 R HA 0.689 5.029 4.340 0.000 0.000 0.276 94 R C 0.197 176.513 176.300 0.026 0.000 0.979 94 R CA -1.073 55.059 56.100 0.055 0.000 0.928 94 R CB 1.272 31.590 30.300 0.031 0.000 1.191 94 R HN 0.251 nan 8.270 nan 0.000 0.471 95 I N 2.588 123.138 120.570 -0.034 0.000 2.359 95 I HA 0.446 4.616 4.170 0.000 0.000 0.294 95 I C -0.138 175.982 176.117 0.006 0.000 0.987 95 I CA -0.736 60.553 61.300 -0.019 0.000 1.225 95 I CB 1.133 39.068 38.000 -0.108 0.000 1.366 95 I HN 0.288 nan 8.210 nan 0.000 0.466 96 I N 5.465 126.053 120.570 0.028 0.000 2.608 96 I HA 0.299 4.470 4.170 0.000 0.000 0.295 96 I C -0.188 175.949 176.117 0.033 0.000 1.049 96 I CA -0.422 60.886 61.300 0.013 0.000 1.063 96 I CB 1.895 39.890 38.000 -0.008 0.000 1.248 96 I HN 0.647 nan 8.210 nan 0.000 0.424 97 N N 4.474 123.190 118.700 0.027 0.000 2.448 97 N HA 0.191 4.931 4.740 0.000 0.000 0.274 97 N C 0.888 176.407 175.510 0.014 0.000 1.239 97 N CA -0.735 52.338 53.050 0.038 0.000 0.982 97 N CB 0.244 38.754 38.487 0.038 0.000 1.199 97 N HN 0.355 nan 8.380 nan 0.000 0.576 98 V N -0.305 119.620 119.914 0.018 0.000 2.363 98 V HA -0.229 3.891 4.120 0.000 0.000 0.254 98 V C 1.477 177.566 176.094 -0.009 0.000 1.074 98 V CA 2.265 64.566 62.300 0.001 0.000 1.069 98 V CB -0.807 31.024 31.823 0.013 0.000 0.659 98 V HN 0.683 nan 8.190 nan 0.000 0.455 99 I N -2.452 118.117 120.570 -0.002 0.000 3.884 99 I HA 0.565 4.735 4.170 0.000 0.000 0.330 99 I C 1.290 177.400 176.117 -0.013 0.000 1.451 99 I CA 0.512 61.810 61.300 -0.005 0.000 1.165 99 I CB -0.233 37.770 38.000 0.005 0.000 1.097 99 I HN 0.301 nan 8.210 nan 0.000 0.404 100 G N 0.984 109.772 108.800 -0.020 0.000 2.179 100 G HA2 -0.258 3.702 3.960 0.000 0.000 0.260 100 G HA3 -0.258 3.702 3.960 0.000 0.000 0.260 100 G C -0.087 174.800 174.900 -0.023 0.000 0.977 100 G CA -0.022 45.060 45.100 -0.030 0.000 0.641 100 G HN 0.621 nan 8.290 nan 0.000 0.533 101 E N 1.812 122.004 120.200 -0.012 0.000 2.197 101 E HA 0.384 4.734 4.350 0.000 0.000 0.281 101 E C -2.272 174.324 176.600 -0.006 0.000 0.995 101 E CA -2.054 54.340 56.400 -0.009 0.000 0.808 101 E CB 1.610 31.308 29.700 -0.004 0.000 1.093 101 E HN 0.142 nan 8.360 nan 0.000 0.394 102 P HA -0.027 nan 4.420 nan 0.000 0.267 102 P C 0.100 177.395 177.300 -0.009 0.000 1.209 102 P CA 0.564 63.659 63.100 -0.009 0.000 0.763 102 P CB 0.173 31.868 31.700 -0.009 0.000 0.816 103 I N 0.117 120.678 120.570 -0.014 0.000 3.654 103 I HA 0.269 4.439 4.170 0.000 0.000 0.337 103 I C -0.064 176.021 176.117 -0.054 0.000 1.568 103 I CA -0.355 60.931 61.300 -0.022 0.000 1.115 103 I CB -0.040 37.956 38.000 -0.007 0.000 1.300 103 I HN 0.026 nan 8.210 nan 0.000 0.471 104 D N -0.050 120.318 120.400 -0.053 0.000 2.469 104 D HA 0.045 4.685 4.640 0.000 0.000 0.215 104 D C 0.424 176.722 176.300 -0.003 0.000 1.154 104 D CA -0.242 53.718 54.000 -0.066 0.000 0.832 104 D CB -0.056 40.680 40.800 -0.106 0.000 1.008 104 D HN 0.459 nan 8.370 nan 0.000 0.506 105 E N -0.138 120.061 120.200 -0.002 0.000 2.539 105 E HA -0.261 4.089 4.350 0.000 0.000 0.253 105 E C 0.519 177.131 176.600 0.020 0.000 1.145 105 E CA 0.318 56.724 56.400 0.010 0.000 0.738 105 E CB -0.959 28.749 29.700 0.014 0.000 1.308 105 E HN 0.373 nan 8.360 nan 0.000 0.409 106 R N -0.377 120.135 120.500 0.020 0.000 2.472 106 R HA 0.271 4.611 4.340 0.000 0.000 0.279 106 R C 0.837 177.147 176.300 0.018 0.000 0.953 106 R CA 0.427 56.544 56.100 0.027 0.000 1.088 106 R CB 1.190 31.516 30.300 0.043 0.000 1.197 106 R HN 0.308 nan 8.270 nan 0.000 0.536 107 G N 1.719 110.526 108.800 0.010 0.000 2.483 107 G HA2 -0.173 3.787 3.960 0.000 0.000 0.521 107 G HA3 -0.173 3.787 3.960 0.000 0.000 0.521 107 G C -2.822 172.079 174.900 0.001 0.000 1.278 107 G CA -1.261 43.843 45.100 0.006 0.000 0.965 107 G HN -0.021 nan 8.290 nan 0.000 0.504 108 P HA 0.522 nan 4.420 nan 0.000 0.275 108 P C 0.012 177.306 177.300 -0.011 0.000 1.228 108 P CA -0.421 62.675 63.100 -0.008 0.000 0.786 108 P CB 0.501 32.196 31.700 -0.009 0.000 0.927 109 I N 2.484 123.043 120.570 -0.018 0.000 2.311 109 I HA 0.081 4.251 4.170 0.000 0.000 0.297 109 I C 0.993 177.090 176.117 -0.033 0.000 1.131 109 I CA 0.104 61.389 61.300 -0.025 0.000 1.289 109 I CB -0.255 37.725 38.000 -0.034 0.000 1.446 109 I HN 0.098 nan 8.210 nan 0.000 0.524 110 K N 4.926 125.310 120.400 -0.027 0.000 3.000 110 K HA 0.078 4.398 4.320 0.000 0.000 0.265 110 K C 0.402 176.978 176.600 -0.039 0.000 1.260 110 K CA -0.189 56.081 56.287 -0.028 0.000 1.209 110 K CB -0.147 32.343 32.500 -0.017 0.000 1.484 110 K HN 0.652 nan 8.250 nan 0.000 0.283 111 S N -0.382 115.281 115.700 -0.060 0.000 2.554 111 S HA 0.195 4.665 4.470 0.000 0.000 0.278 111 S C 1.013 175.561 174.600 -0.087 0.000 1.242 111 S CA -0.801 57.347 58.200 -0.086 0.000 1.051 111 S CB 1.693 64.813 63.200 -0.132 0.000 0.986 111 S HN 0.275 nan 8.310 nan 0.000 0.502 112 K N 1.354 121.703 120.400 -0.084 0.000 2.103 112 K HA 0.016 4.336 4.320 0.000 0.000 0.207 112 K C 0.151 176.698 176.600 -0.088 0.000 1.048 112 K CA 1.116 57.363 56.287 -0.067 0.000 0.930 112 K CB -0.489 31.986 32.500 -0.042 0.000 0.716 112 K HN 0.565 nan 8.250 nan 0.000 0.444 113 L N 0.377 121.509 121.223 -0.152 0.000 2.354 113 L HA 0.411 4.751 4.340 0.000 0.000 0.264 113 L C -0.312 176.443 176.870 -0.192 0.000 1.008 113 L CA -1.006 53.736 54.840 -0.163 0.000 0.819 113 L CB 2.150 44.092 42.059 -0.196 0.000 1.339 113 L HN -0.090 nan 8.230 nan 0.000 0.420 114 R N 1.224 121.642 120.500 -0.138 0.000 2.778 114 R HA 0.694 5.034 4.340 0.000 0.000 0.277 114 R C -1.163 175.070 176.300 -0.111 0.000 0.977 114 R CA -1.014 55.008 56.100 -0.131 0.000 0.950 114 R CB 2.497 32.745 30.300 -0.086 0.000 1.165 114 R HN 0.464 nan 8.270 nan 0.000 0.474 115 K N 1.561 121.897 120.400 -0.107 0.000 2.464 115 K HA 0.400 4.720 4.320 0.000 0.000 0.253 115 K C -2.711 173.859 176.600 -0.050 0.000 0.933 115 K CA -2.125 54.121 56.287 -0.069 0.000 0.801 115 K CB 2.558 35.015 32.500 -0.071 0.000 1.271 115 K HN 0.272 nan 8.250 nan 0.000 0.430 116 P HA 0.050 nan 4.420 nan 0.000 0.268 116 P C 0.603 177.883 177.300 -0.033 0.000 1.205 116 P CA -0.093 63.004 63.100 -0.004 0.000 0.771 116 P CB 0.291 32.010 31.700 0.032 0.000 0.858 117 I N -1.096 119.429 120.570 -0.076 0.000 3.111 117 I HA 0.039 4.209 4.170 0.000 0.000 0.272 117 I C 0.266 176.215 176.117 -0.279 0.000 1.268 117 I CA 0.747 61.935 61.300 -0.186 0.000 1.467 117 I CB -0.524 37.329 38.000 -0.244 0.000 1.087 117 I HN 0.230 nan 8.210 nan 0.000 0.467 118 H N 2.567 121.626 119.070 -0.018 0.000 2.476 118 H HA 0.785 5.341 4.556 0.000 0.000 0.328 118 H C -0.565 174.753 175.328 -0.017 0.000 1.073 118 H CA -0.327 55.711 56.048 -0.016 0.000 1.229 118 H CB 1.714 31.471 29.762 -0.009 0.000 1.432 118 H HN 0.382 nan 8.280 nan 0.000 0.477 119 A N 3.407 126.275 122.820 0.079 0.000 2.572 119 A HA 0.305 4.625 4.320 0.000 0.000 0.295 119 A C -0.853 176.751 177.584 0.033 0.000 1.072 119 A CA -0.989 51.073 52.037 0.043 0.000 0.691 119 A CB 1.431 20.440 19.000 0.015 0.000 1.291 119 A HN 0.548 nan 8.150 nan 0.000 0.404 120 D N 2.885 123.300 120.400 0.026 0.000 2.414 120 D HA 0.380 5.020 4.640 0.000 0.000 0.242 120 D C -1.939 174.369 176.300 0.014 0.000 1.129 120 D CA -0.295 53.718 54.000 0.021 0.000 0.885 120 D CB 0.505 41.316 40.800 0.018 0.000 1.198 120 D HN 0.341 nan 8.370 nan 0.000 0.437 121 P HA 0.192 nan 4.420 nan 0.000 0.272 121 P C -2.542 174.768 177.300 0.018 0.000 1.230 121 P CA -1.074 62.034 63.100 0.012 0.000 0.788 121 P CB -0.515 31.196 31.700 0.019 0.000 0.949 122 P HA -0.009 nan 4.420 nan 0.000 0.265 122 P C 0.466 177.785 177.300 0.031 0.000 1.187 122 P CA 0.275 63.382 63.100 0.011 0.000 0.766 122 P CB 0.107 31.806 31.700 -0.002 0.000 0.820 123 S N 2.531 118.252 115.700 0.035 0.000 2.596 123 S HA 0.053 4.523 4.470 0.000 0.000 0.260 123 S C 0.977 175.635 174.600 0.097 0.000 1.336 123 S CA -0.367 57.877 58.200 0.072 0.000 0.993 123 S CB -0.070 63.168 63.200 0.063 0.000 0.923 123 S HN 0.421 nan 8.310 nan 0.000 0.567 124 F N 1.691 121.642 119.950 0.000 0.000 2.171 124 F HA 0.029 4.556 4.527 0.000 0.000 0.300 124 F C 2.367 178.166 175.800 -0.001 0.000 1.090 124 F CA 1.535 59.535 58.000 0.000 0.000 1.293 124 F CB -0.978 38.022 39.000 0.000 0.000 1.013 124 F HN 0.725 nan 8.300 nan 0.000 0.486 125 A N -0.185 122.619 122.820 -0.026 0.000 2.070 125 A HA -0.190 4.130 4.320 0.000 0.000 0.220 125 A C 2.025 179.521 177.584 -0.147 0.000 1.159 125 A CA 1.791 53.760 52.037 -0.114 0.000 0.656 125 A CB -0.775 18.229 19.000 0.006 0.000 0.800 125 A HN 0.594 nan 8.150 nan 0.000 0.453 126 E N -0.180 119.956 120.200 -0.106 0.000 2.478 126 E HA -0.007 4.343 4.350 0.000 0.000 0.194 126 E C 0.051 176.588 176.600 -0.106 0.000 1.045 126 E CA -0.238 56.114 56.400 -0.081 0.000 0.868 126 E CB 0.124 29.800 29.700 -0.040 0.000 0.885 126 E HN 0.570 nan 8.360 nan 0.000 0.505 127 Q N 0.557 120.253 119.800 -0.173 0.000 2.392 127 Q HA 0.104 4.445 4.340 0.000 0.000 0.262 127 Q C -0.034 175.882 176.000 -0.141 0.000 1.003 127 Q CA 0.234 55.941 55.803 -0.160 0.000 0.888 127 Q CB 1.521 30.117 28.738 -0.236 0.000 1.260 127 Q HN 0.018 nan 8.270 nan 0.000 0.435 128 S N 0.040 115.683 115.700 -0.094 0.000 2.779 128 S HA 0.414 4.884 4.470 0.000 0.000 0.293 128 S C -0.450 174.116 174.600 -0.057 0.000 1.150 128 S CA -0.715 57.439 58.200 -0.076 0.000 1.057 128 S CB 0.877 64.043 63.200 -0.058 0.000 1.021 128 S HN 0.523 nan 8.310 nan 0.000 0.485 129 T N 1.176 115.696 114.554 -0.056 0.000 2.909 129 T HA 0.747 5.097 4.350 0.000 0.000 0.289 129 T C 0.046 174.730 174.700 -0.026 0.000 1.005 129 T CA -0.650 61.428 62.100 -0.037 0.000 1.084 129 T CB 1.323 70.171 68.868 -0.035 0.000 0.975 129 T HN 1.103 nan 8.240 nan 0.000 0.509 130 S N 0.195 115.886 115.700 -0.016 0.000 2.542 130 S HA 0.585 5.055 4.470 0.000 0.000 0.276 130 S C -1.115 173.482 174.600 -0.004 0.000 1.148 130 S CA -0.426 57.767 58.200 -0.011 0.000 0.886 130 S CB 0.978 64.171 63.200 -0.011 0.000 1.109 130 S HN 1.440 nan 8.310 nan 0.000 0.458 131 A N 3.237 126.056 122.820 -0.003 0.000 3.214 131 A HA 0.543 4.863 4.320 0.000 0.000 0.304 131 A C -0.224 177.363 177.584 0.005 0.000 0.969 131 A CA -0.362 51.676 52.037 0.002 0.000 0.986 131 A CB 0.009 19.006 19.000 -0.004 0.000 1.073 131 A HN 0.708 nan 8.150 nan 0.000 0.487 132 E N 0.699 120.905 120.200 0.011 0.000 2.175 132 E HA 0.482 4.832 4.350 0.000 0.000 0.278 132 E C -1.037 175.581 176.600 0.030 0.000 0.969 132 E CA -0.540 55.869 56.400 0.015 0.000 0.796 132 E CB 1.274 30.982 29.700 0.013 0.000 1.104 132 E HN 0.613 nan 8.360 nan 0.000 0.395 133 I N 4.939 125.528 120.570 0.031 0.000 2.395 133 I HA 0.153 4.323 4.170 0.000 0.000 0.289 133 I C -1.025 175.128 176.117 0.061 0.000 1.023 133 I CA -0.657 60.670 61.300 0.045 0.000 1.350 133 I CB 0.637 38.654 38.000 0.028 0.000 1.409 133 I HN 0.446 nan 8.210 nan 0.000 0.507 134 L N 8.229 129.507 121.223 0.091 0.000 2.264 134 L HA 0.369 4.709 4.340 0.000 0.000 0.287 134 L C -0.104 176.818 176.870 0.087 0.000 1.039 134 L CA 0.024 54.926 54.840 0.103 0.000 0.829 134 L CB 0.872 43.020 42.059 0.148 0.000 1.211 134 L HN 0.629 nan 8.230 nan 0.000 0.427 135 E N 2.297 122.532 120.200 0.059 0.000 2.217 135 E HA 0.051 4.401 4.350 0.000 0.000 0.279 135 E C 0.506 177.122 176.600 0.025 0.000 1.068 135 E CA 0.431 56.852 56.400 0.034 0.000 0.882 135 E CB 0.837 30.557 29.700 0.033 0.000 1.039 135 E HN 0.815 nan 8.360 nan 0.000 0.418 136 T N 1.218 115.764 114.554 -0.013 0.000 3.051 136 T HA 0.199 4.549 4.350 0.000 0.000 0.255 136 T C 1.467 176.140 174.700 -0.046 0.000 1.085 136 T CA 0.461 62.546 62.100 -0.024 0.000 1.109 136 T CB 0.174 68.990 68.868 -0.087 0.000 0.921 136 T HN 0.700 nan 8.240 nan 0.000 0.488 137 G N 1.502 110.280 108.800 -0.037 0.000 2.179 137 G HA2 -0.212 3.748 3.960 0.000 0.000 0.260 137 G HA3 -0.212 3.748 3.960 0.000 0.000 0.260 137 G C 0.006 174.890 174.900 -0.028 0.000 0.977 137 G CA 0.132 45.213 45.100 -0.031 0.000 0.641 137 G HN 0.660 nan 8.290 nan 0.000 0.533 138 I N 1.050 121.597 120.570 -0.040 0.000 2.304 138 I HA 0.273 4.443 4.170 0.000 0.000 0.291 138 I C 1.584 177.706 176.117 0.008 0.000 1.018 138 I CA -0.694 60.618 61.300 0.021 0.000 1.260 138 I CB 1.328 39.345 38.000 0.028 0.000 1.390 138 I HN -0.012 nan 8.210 nan 0.000 0.475 139 K N 3.690 124.097 120.400 0.013 0.000 2.044 139 K HA -0.168 4.152 4.320 0.000 0.000 0.210 139 K C 1.789 178.333 176.600 -0.092 0.000 1.049 139 K CA 1.239 57.497 56.287 -0.047 0.000 0.927 139 K CB -0.074 32.393 32.500 -0.055 0.000 0.713 139 K HN 0.566 nan 8.250 nan 0.000 0.443 140 V N 0.806 120.703 119.914 -0.027 0.000 2.667 140 V HA -0.145 3.975 4.120 0.000 0.000 0.252 140 V C 1.859 177.930 176.094 -0.038 0.000 1.065 140 V CA 1.251 63.524 62.300 -0.045 0.000 1.083 140 V CB 0.157 32.006 31.823 0.044 0.000 0.692 140 V HN 0.096 nan 8.190 nan 0.000 0.468 141 V N -0.057 119.844 119.914 -0.023 0.000 2.379 141 V HA -0.084 4.036 4.120 0.000 0.000 0.243 141 V C 2.279 178.298 176.094 -0.125 0.000 1.035 141 V CA 2.029 64.263 62.300 -0.110 0.000 1.035 141 V CB -0.520 31.141 31.823 -0.270 0.000 0.673 141 V HN 0.516 nan 8.190 nan 0.000 0.457 142 D N 0.012 120.354 120.400 -0.096 0.000 2.144 142 D HA -0.136 4.504 4.640 0.000 0.000 0.199 142 D C 1.862 178.197 176.300 0.059 0.000 0.984 142 D CA 1.104 55.089 54.000 -0.024 0.000 0.834 142 D CB -0.131 40.657 40.800 -0.020 0.000 0.955 142 D HN 0.315 nan 8.370 nan 0.000 0.465 143 L N -0.251 120.936 121.223 -0.060 0.000 2.049 143 L HA 0.027 4.367 4.340 0.000 0.000 0.203 143 L C 1.861 178.758 176.870 0.045 0.000 1.074 143 L CA 1.513 56.293 54.840 -0.100 0.000 0.749 143 L CB -0.152 41.666 42.059 -0.402 0.000 0.907 143 L HN -0.017 nan 8.230 nan 0.000 0.439 144 L N -1.176 120.020 121.223 -0.045 0.000 2.609 144 L HA 0.392 4.733 4.340 0.000 0.000 0.230 144 L C 0.464 177.334 176.870 -0.001 0.000 1.087 144 L CA 0.407 55.223 54.840 -0.040 0.000 0.874 144 L CB 0.118 42.126 42.059 -0.084 0.000 1.114 144 L HN 0.250 nan 8.230 nan 0.000 0.488 145 A N 0.684 123.515 122.820 0.017 0.000 3.399 145 A HA 0.428 4.748 4.320 0.000 0.000 0.262 145 A C -2.727 174.900 177.584 0.072 0.000 1.145 145 A CA -0.724 51.349 52.037 0.059 0.000 0.916 145 A CB -0.125 18.930 19.000 0.091 0.000 1.360 145 A HN -0.188 nan 8.150 nan 0.000 0.628 146 P HA 0.202 nan 4.420 nan 0.000 0.268 146 P C -0.711 176.703 177.300 0.189 0.000 1.205 146 P CA 0.402 63.520 63.100 0.031 0.000 0.771 146 P CB 0.445 32.155 31.700 0.017 0.000 0.858 147 Y N 0.677 121.016 120.300 0.065 0.000 2.300 147 Y HA 0.434 4.984 4.550 -0.000 0.000 0.328 147 Y C 1.083 177.006 175.900 0.038 0.000 1.270 147 Y CA -1.525 56.610 58.100 0.058 0.000 1.352 147 Y CB 0.041 38.546 38.460 0.075 0.000 1.286 147 Y HN 0.389 nan 8.280 nan 0.000 0.536 148 A N 3.022 125.955 122.820 0.189 0.000 2.304 148 A HA 0.597 4.917 4.320 0.000 0.000 0.323 148 A C -0.014 177.610 177.584 0.068 0.000 1.195 148 A CA -0.983 51.113 52.037 0.097 0.000 0.826 148 A CB 0.445 19.480 19.000 0.059 0.000 1.184 148 A HN 0.823 nan 8.150 nan 0.000 0.496 149 R N 1.012 121.547 120.500 0.058 0.000 2.585 149 R HA 0.330 4.670 4.340 0.000 0.000 0.275 149 R C 1.362 177.674 176.300 0.019 0.000 1.018 149 R CA 1.716 57.843 56.100 0.044 0.000 1.072 149 R CB 0.195 30.521 30.300 0.043 0.000 0.953 149 R HN 1.654 nan 8.270 nan 0.000 0.419 150 G N 1.950 110.753 108.800 0.005 0.000 2.203 150 G HA2 -0.259 3.701 3.960 0.000 0.000 0.263 150 G HA3 -0.259 3.701 3.960 0.000 0.000 0.263 150 G C 0.307 175.192 174.900 -0.025 0.000 1.012 150 G CA 0.282 45.374 45.100 -0.014 0.000 0.749 150 G HN 0.870 nan 8.290 nan 0.000 0.512 151 G N -1.207 107.576 108.800 -0.029 0.000 2.667 151 G HA2 0.652 4.612 3.960 0.000 0.000 0.310 151 G HA3 0.652 4.612 3.960 0.000 0.000 0.310 151 G C -0.426 174.432 174.900 -0.070 0.000 1.259 151 G CA -0.927 44.154 45.100 -0.032 0.000 1.019 151 G HN 0.292 nan 8.290 nan 0.000 0.496 152 K N 0.354 120.716 120.400 -0.063 0.000 2.316 152 K HA 0.421 4.741 4.320 0.000 0.000 0.267 152 K C -0.841 175.690 176.600 -0.115 0.000 1.025 152 K CA -0.145 56.091 56.287 -0.085 0.000 0.896 152 K CB 1.509 33.987 32.500 -0.037 0.000 1.124 152 K HN 0.260 nan 8.250 nan 0.000 0.451 153 I N 1.358 121.806 120.570 -0.203 0.000 2.441 153 I HA 0.375 4.545 4.170 0.000 0.000 0.295 153 I C 0.451 176.449 176.117 -0.199 0.000 0.994 153 I CA -0.663 60.451 61.300 -0.310 0.000 1.144 153 I CB 2.079 39.688 38.000 -0.652 0.000 1.314 153 I HN 0.559 nan 8.210 nan 0.000 0.445 154 G N 6.337 115.074 108.800 -0.105 0.000 2.590 154 G HA2 0.698 4.658 3.960 0.000 0.000 0.310 154 G HA3 0.698 4.658 3.960 0.000 0.000 0.310 154 G C -1.017 173.877 174.900 -0.010 0.000 1.347 154 G CA -0.512 44.544 45.100 -0.073 0.000 0.963 154 G HN 0.452 nan 8.290 nan 0.000 0.494 155 L N 2.571 123.716 121.223 -0.130 0.000 2.297 155 L HA 0.392 4.732 4.340 0.000 0.000 0.277 155 L C -0.747 176.050 176.870 -0.122 0.000 1.040 155 L CA -0.624 54.167 54.840 -0.082 0.000 0.867 155 L CB 0.543 42.548 42.059 -0.090 0.000 1.244 155 L HN 0.328 nan 8.230 nan 0.000 0.433 156 F N 1.459 121.330 119.950 -0.132 0.000 2.412 156 F HA 0.677 5.204 4.527 -0.000 0.000 0.348 156 F C 1.032 176.781 175.800 -0.086 0.000 1.102 156 F CA -0.445 57.477 58.000 -0.130 0.000 1.196 156 F CB 1.665 40.569 39.000 -0.159 0.000 1.144 156 F HN 0.390 nan 8.300 nan 0.000 0.541 157 G N 1.234 110.054 108.800 0.034 0.000 2.658 157 G HA2 0.471 4.431 3.960 0.000 0.000 0.301 157 G HA3 0.471 4.431 3.960 0.000 0.000 0.301 157 G C -0.481 174.366 174.900 -0.088 0.000 1.481 157 G CA -0.413 44.690 45.100 0.006 0.000 0.931 157 G HN 0.922 nan 8.290 nan 0.000 0.573 158 G N -0.018 108.719 108.800 -0.104 0.000 2.712 158 G HA2 0.602 4.562 3.960 0.000 0.000 0.258 158 G HA3 0.602 4.562 3.960 0.000 0.000 0.258 158 G C 0.892 175.804 174.900 0.020 0.000 1.241 158 G CA 0.433 45.436 45.100 -0.161 0.000 0.923 158 G HN 1.784 nan 8.290 nan 0.000 0.548 159 A N -1.083 121.814 122.820 0.130 0.000 2.522 159 A HA 0.522 4.842 4.320 0.000 0.000 0.256 159 A C 1.552 179.211 177.584 0.126 0.000 1.086 159 A CA 1.117 53.292 52.037 0.231 0.000 0.763 159 A CB -0.573 18.570 19.000 0.240 0.000 1.024 159 A HN 2.594 nan 8.150 nan 0.000 0.502 160 G N 0.862 109.733 108.800 0.118 0.000 2.143 160 G HA2 -0.201 3.759 3.960 0.000 0.000 0.249 160 G HA3 -0.201 3.759 3.960 0.000 0.000 0.249 160 G C 0.796 175.753 174.900 0.094 0.000 0.981 160 G CA 0.828 45.978 45.100 0.084 0.000 0.665 160 G HN 2.107 nan 8.290 nan 0.000 0.528 161 V N -3.180 116.800 119.914 0.110 0.000 3.052 161 V HA 0.608 4.728 4.120 0.000 0.000 0.254 161 V C 1.778 177.992 176.094 0.200 0.000 1.100 161 V CA 1.615 63.997 62.300 0.137 0.000 1.112 161 V CB 0.248 32.126 31.823 0.092 0.000 0.738 161 V HN 2.127 nan 8.190 nan 0.000 0.469 162 G N 0.102 109.005 108.800 0.171 0.000 2.215 162 G HA2 -0.133 3.827 3.960 0.000 0.000 0.187 162 G HA3 -0.133 3.827 3.960 0.000 0.000 0.187 162 G C 0.494 175.550 174.900 0.259 0.000 1.039 162 G CA 0.123 45.348 45.100 0.208 0.000 0.771 162 G HN 0.416 nan 8.290 nan 0.000 0.507 163 K N -0.042 120.476 120.400 0.196 0.000 2.032 163 K HA -0.083 4.237 4.320 0.000 0.000 0.209 163 K C 2.434 179.186 176.600 0.254 0.000 1.048 163 K CA 1.965 58.372 56.287 0.199 0.000 0.927 163 K CB -0.263 32.316 32.500 0.131 0.000 0.712 163 K HN 0.272 nan 8.250 nan 0.000 0.441 164 T N 1.032 115.714 114.554 0.212 0.000 2.857 164 T HA -0.061 4.289 4.350 0.000 0.000 0.266 164 T C 2.076 176.908 174.700 0.219 0.000 1.048 164 T CA 0.934 63.161 62.100 0.211 0.000 1.139 164 T CB -0.096 68.879 68.868 0.177 0.000 0.874 164 T HN -0.054 nan 8.240 nan 0.000 0.455 165 V N 0.890 120.939 119.914 0.225 0.000 2.407 165 V HA -0.104 4.016 4.120 0.000 0.000 0.248 165 V C 1.965 178.235 176.094 0.293 0.000 1.055 165 V CA 1.421 63.869 62.300 0.246 0.000 1.049 165 V CB -0.700 31.258 31.823 0.224 0.000 0.662 165 V HN 0.376 nan 8.190 nan 0.000 0.455 166 F N 0.050 120.143 119.950 0.239 0.000 2.084 166 F HA -0.156 4.371 4.527 -0.000 0.000 0.296 166 F C 2.157 178.033 175.800 0.127 0.000 1.111 166 F CA 1.778 59.928 58.000 0.251 0.000 1.224 166 F CB -0.188 38.982 39.000 0.284 0.000 0.991 166 F HN 0.002 nan 8.300 nan 0.000 0.471 167 I N -0.026 120.784 120.570 0.401 0.000 2.264 167 I HA -0.366 3.804 4.170 0.000 0.000 0.248 167 I C 2.254 178.413 176.117 0.070 0.000 1.111 167 I CA 1.514 62.982 61.300 0.280 0.000 1.382 167 I CB -0.276 37.896 38.000 0.287 0.000 1.060 167 I HN 0.286 nan 8.210 nan 0.000 0.418 168 Q N -0.322 119.508 119.800 0.050 0.000 2.167 168 Q HA -0.277 4.063 4.340 0.000 0.000 0.202 168 Q C 1.999 177.917 176.000 -0.136 0.000 0.970 168 Q CA 1.591 57.361 55.803 -0.055 0.000 0.855 168 Q CB -0.027 28.713 28.738 0.003 0.000 0.911 168 Q HN 0.389 nan 8.270 nan 0.000 0.438 169 E N 0.827 120.902 120.200 -0.210 0.000 2.047 169 E HA -0.141 4.209 4.350 0.000 0.000 0.191 169 E C 1.737 178.147 176.600 -0.317 0.000 0.987 169 E CA 0.938 57.081 56.400 -0.429 0.000 0.799 169 E CB -0.161 28.894 29.700 -1.076 0.000 0.752 169 E HN 0.269 nan 8.360 nan 0.000 0.449 170 L N 0.170 121.275 121.223 -0.197 0.000 2.012 170 L HA -0.200 4.140 4.340 0.000 0.000 0.210 170 L C 2.534 179.411 176.870 0.011 0.000 1.073 170 L CA 1.324 56.168 54.840 0.006 0.000 0.748 170 L CB -0.551 41.668 42.059 0.266 0.000 0.891 170 L HN 0.219 nan 8.230 nan 0.000 0.431 171 I N 0.094 120.556 120.570 -0.180 0.000 2.151 171 I HA -0.363 3.807 4.170 0.000 0.000 0.243 171 I C 2.332 178.376 176.117 -0.122 0.000 1.080 171 I CA 1.823 62.947 61.300 -0.294 0.000 1.339 171 I CB -0.490 37.197 38.000 -0.521 0.000 1.039 171 I HN 0.364 nan 8.210 nan 0.000 0.409 172 N N 0.800 119.421 118.700 -0.132 0.000 2.223 172 N HA -0.164 4.576 4.740 0.000 0.000 0.185 172 N C 1.484 176.952 175.510 -0.069 0.000 1.016 172 N CA 1.523 54.513 53.050 -0.100 0.000 0.863 172 N CB 0.004 38.419 38.487 -0.120 0.000 0.983 172 N HN 0.292 nan 8.380 nan 0.000 0.429 173 N N -0.220 118.437 118.700 -0.071 0.000 2.322 173 N HA 0.053 4.793 4.740 0.000 0.000 0.186 173 N C 1.435 176.955 175.510 0.018 0.000 1.037 173 N CA 0.599 53.625 53.050 -0.041 0.000 0.869 173 N CB -0.273 38.169 38.487 -0.075 0.000 1.036 173 N HN 0.149 nan 8.380 nan 0.000 0.439 174 I N 1.645 122.251 120.570 0.061 0.000 2.286 174 I HA -0.031 4.139 4.170 0.000 0.000 0.245 174 I C 2.248 178.447 176.117 0.138 0.000 1.104 174 I CA 0.604 61.974 61.300 0.117 0.000 1.397 174 I CB -1.627 36.479 38.000 0.177 0.000 1.072 174 I HN 0.002 nan 8.210 nan 0.000 0.417 175 A N 1.150 124.053 122.820 0.138 0.000 1.902 175 A HA -0.218 4.102 4.320 0.000 0.000 0.217 175 A C 2.358 180.014 177.584 0.120 0.000 1.181 175 A CA 1.645 53.766 52.037 0.141 0.000 0.623 175 A CB -0.468 18.605 19.000 0.122 0.000 0.818 175 A HN 0.396 nan 8.150 nan 0.000 0.443 176 K N -0.258 120.186 120.400 0.073 0.000 2.025 176 K HA 0.047 4.367 4.320 0.000 0.000 0.207 176 K C 2.301 178.933 176.600 0.053 0.000 1.049 176 K CA 1.045 57.362 56.287 0.051 0.000 0.933 176 K CB -0.361 32.152 32.500 0.022 0.000 0.714 176 K HN 0.388 nan 8.250 nan 0.000 0.438 177 A N 1.633 124.488 122.820 0.059 0.000 1.978 177 A HA -0.163 4.157 4.320 0.000 0.000 0.220 177 A C 1.047 178.665 177.584 0.057 0.000 1.170 177 A CA 1.011 53.077 52.037 0.048 0.000 0.636 177 A CB -0.706 18.324 19.000 0.050 0.000 0.810 177 A HN 0.334 nan 8.150 nan 0.000 0.448 178 H N -0.828 118.240 119.070 -0.003 0.000 2.629 178 H HA 0.299 4.855 4.556 0.000 0.000 0.357 178 H C 1.226 176.521 175.328 -0.056 0.000 1.121 178 H CA 0.751 56.785 56.048 -0.024 0.000 1.406 178 H CB 1.186 30.945 29.762 -0.005 0.000 1.456 178 H HN 0.106 nan 8.280 nan 0.000 0.579 179 G N 2.680 111.206 108.800 -0.455 0.000 2.833 179 G HA2 0.084 4.044 3.960 0.000 0.000 0.210 179 G HA3 0.084 4.044 3.960 0.000 0.000 0.210 179 G C 0.881 175.573 174.900 -0.347 0.000 1.139 179 G CA 0.441 45.360 45.100 -0.301 0.000 0.771 179 G HN 0.714 nan 8.290 nan 0.000 0.535 180 G N 0.011 108.574 108.800 -0.394 0.000 2.624 180 G HA2 0.468 4.428 3.960 0.000 0.000 0.217 180 G HA3 0.468 4.428 3.960 0.000 0.000 0.217 180 G C -0.673 173.958 174.900 -0.449 0.000 1.506 180 G CA -0.602 44.232 45.100 -0.444 0.000 1.072 180 G HN 0.025 nan 8.290 nan 0.000 0.568 181 F N -0.852 119.057 119.950 -0.067 0.000 2.507 181 F HA 0.667 5.194 4.527 0.000 0.000 0.327 181 F C 0.564 176.247 175.800 -0.196 0.000 1.068 181 F CA -0.823 57.024 58.000 -0.254 0.000 0.965 181 F CB 2.162 40.700 39.000 -0.769 0.000 1.192 181 F HN 0.159 nan 8.300 nan 0.000 0.476 182 S N 0.447 116.205 115.700 0.096 0.000 2.568 182 S HA 0.823 5.293 4.470 0.000 0.000 0.302 182 S C -1.158 173.528 174.600 0.143 0.000 1.082 182 S CA -0.723 57.542 58.200 0.108 0.000 1.009 182 S CB 2.175 65.509 63.200 0.223 0.000 1.069 182 S HN 0.313 nan 8.310 nan 0.000 0.500 183 V N 2.753 122.770 119.914 0.172 0.000 2.525 183 V HA 0.459 4.579 4.120 0.000 0.000 0.299 183 V C -1.311 174.914 176.094 0.218 0.000 1.034 183 V CA -0.630 61.776 62.300 0.177 0.000 0.863 183 V CB 1.325 33.233 31.823 0.142 0.000 0.999 183 V HN 0.835 nan 8.190 nan 0.000 0.423 184 F N 3.537 123.523 119.950 0.060 0.000 2.436 184 F HA 0.698 5.225 4.527 -0.000 0.000 0.340 184 F C 0.339 176.039 175.800 -0.165 0.000 1.113 184 F CA 0.064 58.074 58.000 0.017 0.000 1.022 184 F CB 1.756 40.746 39.000 -0.015 0.000 1.128 184 F HN 0.448 nan 8.300 nan 0.000 0.466 185 T N 4.877 119.045 114.554 -0.644 0.000 2.815 185 T HA 0.461 4.811 4.350 0.000 0.000 0.289 185 T C 0.036 174.394 174.700 -0.569 0.000 1.000 185 T CA -0.631 61.174 62.100 -0.491 0.000 0.958 185 T CB 1.099 69.785 68.868 -0.303 0.000 0.944 185 T HN 0.863 nan 8.240 nan 0.000 0.442 186 G N 2.046 110.645 108.800 -0.336 0.000 2.327 186 G HA2 0.519 4.479 3.960 0.000 0.000 0.302 186 G HA3 0.519 4.479 3.960 0.000 0.000 0.302 186 G C -0.524 174.445 174.900 0.116 0.000 1.113 186 G CA -0.369 44.802 45.100 0.118 0.000 0.921 186 G HN 0.650 nan 8.290 nan 0.000 0.425 187 V N 2.642 122.600 119.914 0.073 0.000 2.349 187 V HA 0.624 4.744 4.120 0.000 0.000 0.284 187 V C 1.062 177.210 176.094 0.091 0.000 1.014 187 V CA 0.246 62.584 62.300 0.065 0.000 0.826 187 V CB 0.779 32.616 31.823 0.024 0.000 1.009 187 V HN 1.408 nan 8.190 nan 0.000 0.431 188 G N 3.230 112.086 108.800 0.094 0.000 2.179 188 G HA2 -0.184 3.776 3.960 0.000 0.000 0.257 188 G HA3 -0.184 3.776 3.960 0.000 0.000 0.257 188 G C 0.157 175.102 174.900 0.076 0.000 1.010 188 G CA 0.417 45.559 45.100 0.069 0.000 0.736 188 G HN 0.577 nan 8.290 nan 0.000 0.513 189 E N -0.631 119.636 120.200 0.112 0.000 2.819 189 E HA 0.467 4.817 4.350 0.000 0.000 0.241 189 E C 0.796 177.447 176.600 0.085 0.000 0.987 189 E CA -0.896 55.568 56.400 0.107 0.000 1.024 189 E CB 0.535 30.330 29.700 0.157 0.000 1.448 189 E HN 0.399 nan 8.360 nan 0.000 0.484 190 R N 0.398 120.943 120.500 0.075 0.000 2.267 190 R HA 0.206 4.546 4.340 0.000 0.000 0.319 190 R C 1.093 177.396 176.300 0.006 0.000 1.067 190 R CA -0.004 56.118 56.100 0.038 0.000 0.936 190 R CB 0.247 30.569 30.300 0.036 0.000 1.006 190 R HN 0.389 nan 8.270 nan 0.000 0.452 191 T N 2.920 117.457 114.554 -0.028 0.000 2.760 191 T HA -0.233 4.117 4.350 0.000 0.000 0.269 191 T C 1.758 176.382 174.700 -0.126 0.000 1.047 191 T CA 1.995 64.033 62.100 -0.104 0.000 1.139 191 T CB -0.134 68.685 68.868 -0.081 0.000 0.855 191 T HN 0.623 nan 8.240 nan 0.000 0.471 192 R N 1.391 121.854 120.500 -0.062 0.000 2.148 192 R HA 0.089 4.429 4.340 0.000 0.000 0.223 192 R C 2.009 178.282 176.300 -0.045 0.000 1.088 192 R CA 1.369 57.438 56.100 -0.051 0.000 0.985 192 R CB -0.363 29.925 30.300 -0.019 0.000 0.880 192 R HN 0.339 nan 8.270 nan 0.000 0.451 193 E N 0.743 120.933 120.200 -0.018 0.000 2.085 193 E HA -0.143 4.207 4.350 0.000 0.000 0.194 193 E C 2.121 178.694 176.600 -0.045 0.000 0.994 193 E CA 1.428 57.836 56.400 0.013 0.000 0.801 193 E CB -0.326 29.425 29.700 0.086 0.000 0.743 193 E HN 0.639 nan 8.360 nan 0.000 0.453 194 G N 0.978 109.665 108.800 -0.189 0.000 2.446 194 G HA2 -0.384 3.576 3.960 0.000 0.000 0.217 194 G HA3 -0.384 3.576 3.960 0.000 0.000 0.217 194 G C 1.427 176.143 174.900 -0.306 0.000 1.168 194 G CA 1.229 45.997 45.100 -0.554 0.000 0.771 194 G HN 0.239 nan 8.290 nan 0.000 0.551 195 N N 0.422 119.008 118.700 -0.191 0.000 2.188 195 N HA -0.083 4.657 4.740 0.000 0.000 0.184 195 N C 1.670 177.175 175.510 -0.008 0.000 1.018 195 N CA 1.539 54.553 53.050 -0.060 0.000 0.858 195 N CB -0.070 38.385 38.487 -0.053 0.000 0.989 195 N HN 0.166 nan 8.380 nan 0.000 0.426 196 D N 0.108 120.489 120.400 -0.031 0.000 2.084 196 D HA -0.128 4.513 4.640 0.000 0.000 0.196 196 D C 1.884 178.167 176.300 -0.029 0.000 0.985 196 D CA 0.603 54.588 54.000 -0.025 0.000 0.826 196 D CB -0.522 40.267 40.800 -0.017 0.000 0.978 196 D HN 0.219 nan 8.370 nan 0.000 0.456 197 L N 0.114 121.315 121.223 -0.037 0.000 2.079 197 L HA -0.213 4.127 4.340 0.000 0.000 0.210 197 L C 2.236 179.114 176.870 0.013 0.000 1.081 197 L CA 1.442 56.240 54.840 -0.070 0.000 0.752 197 L CB -0.571 41.385 42.059 -0.171 0.000 0.896 197 L HN 0.055 nan 8.230 nan 0.000 0.433 198 Y N -0.124 120.135 120.300 -0.067 0.000 2.263 198 Y HA -0.164 4.386 4.550 -0.000 0.000 0.292 198 Y C 2.780 178.657 175.900 -0.038 0.000 1.130 198 Y CA 1.686 59.768 58.100 -0.030 0.000 1.179 198 Y CB -0.248 38.204 38.460 -0.014 0.000 0.998 198 Y HN 0.155 nan 8.280 nan 0.000 0.532 199 R N 0.008 120.443 120.500 -0.108 0.000 2.092 199 R HA -0.130 4.210 4.340 0.000 0.000 0.231 199 R C 2.048 178.258 176.300 -0.151 0.000 1.119 199 R CA 1.366 57.358 56.100 -0.180 0.000 0.970 199 R CB -0.036 30.207 30.300 -0.096 0.000 0.864 199 R HN 0.234 nan 8.270 nan 0.000 0.440 200 E N 0.547 120.685 120.200 -0.104 0.000 2.017 200 E HA -0.192 4.158 4.350 0.000 0.000 0.193 200 E C 1.989 178.530 176.600 -0.099 0.000 0.997 200 E CA 1.313 57.657 56.400 -0.094 0.000 0.804 200 E CB -0.182 29.466 29.700 -0.086 0.000 0.757 200 E HN 0.299 nan 8.360 nan 0.000 0.448 201 M N 0.680 120.224 119.600 -0.094 0.000 2.192 201 M HA -0.195 4.285 4.480 0.000 0.000 0.259 201 M C 1.948 178.195 176.300 -0.089 0.000 1.071 201 M CA 1.441 56.698 55.300 -0.071 0.000 1.082 201 M CB -0.907 31.682 32.600 -0.019 0.000 1.373 201 M HN 0.036 nan 8.290 nan 0.000 0.408 202 K N 0.024 120.331 120.400 -0.155 0.000 2.103 202 K HA -0.102 4.218 4.320 0.000 0.000 0.204 202 K C 1.927 178.465 176.600 -0.103 0.000 1.052 202 K CA 1.026 57.221 56.287 -0.155 0.000 0.945 202 K CB -0.034 32.319 32.500 -0.246 0.000 0.722 202 K HN 0.447 nan 8.250 nan 0.000 0.443 203 E N -0.081 120.060 120.200 -0.099 0.000 2.158 203 E HA -0.064 4.286 4.350 0.000 0.000 0.191 203 E C 1.628 178.194 176.600 -0.057 0.000 0.982 203 E CA 1.079 57.435 56.400 -0.074 0.000 0.823 203 E CB 0.214 29.869 29.700 -0.075 0.000 0.766 203 E HN 0.230 nan 8.360 nan 0.000 0.468 204 T N -0.965 113.555 114.554 -0.057 0.000 2.951 204 T HA 0.019 4.369 4.350 0.000 0.000 0.268 204 T C 1.516 176.198 174.700 -0.031 0.000 1.073 204 T CA 0.907 62.981 62.100 -0.043 0.000 1.134 204 T CB 0.103 68.943 68.868 -0.046 0.000 0.884 204 T HN 0.416 nan 8.240 nan 0.000 0.479 205 G N 0.538 109.319 108.800 -0.032 0.000 2.175 205 G HA2 -0.295 3.665 3.960 0.000 0.000 0.244 205 G HA3 -0.295 3.665 3.960 0.000 0.000 0.244 205 G C 1.040 175.939 174.900 -0.002 0.000 0.982 205 G CA 0.208 45.297 45.100 -0.018 0.000 0.641 205 G HN 0.460 nan 8.290 nan 0.000 0.527 206 V N 0.061 119.974 119.914 -0.002 0.000 2.594 206 V HA 0.138 4.258 4.120 0.000 0.000 0.253 206 V C 1.518 177.633 176.094 0.035 0.000 1.069 206 V CA 1.772 64.084 62.300 0.021 0.000 1.082 206 V CB -0.236 31.596 31.823 0.015 0.000 0.680 206 V HN 0.513 nan 8.190 nan 0.000 0.469 207 I N 1.383 121.963 120.570 0.017 0.000 2.410 207 I HA 0.362 4.532 4.170 0.000 0.000 0.286 207 I C -0.560 175.559 176.117 0.003 0.000 1.009 207 I CA -0.312 61.006 61.300 0.031 0.000 1.111 207 I CB 1.621 39.652 38.000 0.051 0.000 1.262 207 I HN 0.105 nan 8.210 nan 0.000 0.443 208 N N 6.985 125.697 118.700 0.019 0.000 2.443 208 N HA 0.363 5.103 4.740 0.000 0.000 0.269 208 N C 0.403 175.924 175.510 0.020 0.000 0.985 208 N CA -0.472 52.583 53.050 0.008 0.000 0.921 208 N CB 1.449 39.944 38.487 0.013 0.000 1.195 208 N HN 0.563 nan 8.380 nan 0.000 0.492 209 L N 1.729 122.959 121.223 0.011 0.000 2.131 209 L HA 0.009 4.349 4.340 0.000 0.000 0.210 209 L C 0.550 177.435 176.870 0.024 0.000 1.092 209 L CA 1.051 55.907 54.840 0.027 0.000 0.759 209 L CB -0.006 42.065 42.059 0.019 0.000 0.903 209 L HN 0.575 nan 8.230 nan 0.000 0.435 210 E N 0.018 120.227 120.200 0.015 0.000 2.698 210 E HA 0.358 4.708 4.350 0.000 0.000 0.242 210 E C 0.271 176.881 176.600 0.016 0.000 1.243 210 E CA -0.072 56.337 56.400 0.015 0.000 1.483 210 E CB 0.528 30.234 29.700 0.009 0.000 1.495 210 E HN 0.392 nan 8.360 nan 0.000 0.440 211 G N 0.513 109.326 108.800 0.022 0.000 2.441 211 G HA2 0.003 3.963 3.960 0.000 0.000 0.225 211 G HA3 0.003 3.963 3.960 0.000 0.000 0.225 211 G C -1.175 173.745 174.900 0.033 0.000 1.200 211 G CA -0.781 44.334 45.100 0.025 0.000 0.947 211 G HN 0.050 nan 8.290 nan 0.000 0.484 212 E N 0.168 120.392 120.200 0.040 0.000 2.319 212 E HA 0.702 5.052 4.350 0.000 0.000 0.268 212 E C -0.528 176.107 176.600 0.057 0.000 1.050 212 E CA -0.160 56.272 56.400 0.053 0.000 0.878 212 E CB 1.637 31.378 29.700 0.069 0.000 1.066 212 E HN 0.353 nan 8.360 nan 0.000 0.406 213 S N 0.633 116.373 115.700 0.066 0.000 2.627 213 S HA 0.385 4.855 4.470 0.000 0.000 0.283 213 S C 0.264 174.929 174.600 0.107 0.000 1.127 213 S CA -0.784 57.461 58.200 0.075 0.000 0.863 213 S CB 1.814 65.054 63.200 0.066 0.000 1.121 213 S HN 0.338 nan 8.310 nan 0.000 0.479 214 K N 0.362 120.840 120.400 0.129 0.000 2.402 214 K HA 0.402 4.722 4.320 0.000 0.000 0.204 214 K C -0.629 176.074 176.600 0.171 0.000 1.056 214 K CA 0.155 56.569 56.287 0.212 0.000 1.069 214 K CB 1.366 33.975 32.500 0.182 0.000 0.888 214 K HN 0.285 nan 8.250 nan 0.000 0.546 215 V N 0.337 120.321 119.914 0.116 0.000 2.841 215 V HA 0.724 4.844 4.120 0.000 0.000 0.310 215 V C -1.831 174.332 176.094 0.115 0.000 1.090 215 V CA -0.810 61.563 62.300 0.122 0.000 0.930 215 V CB 1.863 33.765 31.823 0.132 0.000 1.014 215 V HN 0.083 nan 8.190 nan 0.000 0.425 216 A N 6.985 129.885 122.820 0.134 0.000 2.271 216 A HA 0.826 5.146 4.320 0.000 0.000 0.317 216 A C -0.861 176.788 177.584 0.109 0.000 1.245 216 A CA -0.552 51.560 52.037 0.125 0.000 0.857 216 A CB 0.607 19.704 19.000 0.162 0.000 1.175 216 A HN 0.895 nan 8.150 nan 0.000 0.512 217 L N 2.843 124.114 121.223 0.079 0.000 2.289 217 L HA 0.584 4.924 4.340 0.000 0.000 0.285 217 L C -0.687 176.135 176.870 -0.079 0.000 1.049 217 L CA -0.688 54.159 54.840 0.011 0.000 0.804 217 L CB 1.662 43.779 42.059 0.098 0.000 1.195 217 L HN 0.405 nan 8.230 nan 0.000 0.428 218 V N 3.550 123.308 119.914 -0.260 0.000 2.525 218 V HA 0.483 4.603 4.120 0.000 0.000 0.299 218 V C -0.795 175.054 176.094 -0.409 0.000 1.034 218 V CA -0.463 61.707 62.300 -0.217 0.000 0.863 218 V CB 1.660 33.403 31.823 -0.133 0.000 0.999 218 V HN 0.383 nan 8.190 nan 0.000 0.423 219 F N 1.864 121.844 119.950 0.049 0.000 2.551 219 F HA 0.817 5.344 4.527 -0.000 0.000 0.316 219 F C 0.674 176.490 175.800 0.027 0.000 1.089 219 F CA -0.734 57.298 58.000 0.054 0.000 0.915 219 F CB 2.663 41.691 39.000 0.048 0.000 1.186 219 F HN 0.537 nan 8.300 nan 0.000 0.456 220 G N 2.986 111.934 108.800 0.245 0.000 4.101 220 G HA2 0.245 4.205 3.960 0.000 0.000 0.262 220 G HA3 0.245 4.205 3.960 0.000 0.000 0.262 220 G C -0.732 174.247 174.900 0.131 0.000 1.181 220 G CA -0.480 44.701 45.100 0.135 0.000 0.640 220 G HN 0.311 nan 8.290 nan 0.000 0.467 221 Q N 0.443 120.327 119.800 0.139 0.000 2.397 221 Q HA 0.231 4.571 4.340 0.000 0.000 0.193 221 Q C 2.070 178.107 176.000 0.062 0.000 1.083 221 Q CA -0.514 55.356 55.803 0.112 0.000 1.108 221 Q CB 0.554 29.344 28.738 0.087 0.000 1.172 221 Q HN 0.652 nan 8.270 nan 0.000 0.617 222 M N -0.131 119.498 119.600 0.048 0.000 2.686 222 M HA -0.042 4.438 4.480 0.000 0.000 0.246 222 M C 0.804 177.114 176.300 0.017 0.000 1.096 222 M CA 1.104 56.421 55.300 0.028 0.000 1.076 222 M CB -0.270 32.343 32.600 0.021 0.000 1.504 222 M HN 0.378 nan 8.290 nan 0.000 0.524 223 N N 0.964 119.674 118.700 0.017 0.000 2.457 223 N HA -0.046 4.694 4.740 0.000 0.000 0.180 223 N C -0.195 175.321 175.510 0.011 0.000 1.050 223 N CA 0.537 53.593 53.050 0.010 0.000 0.906 223 N CB -0.365 38.125 38.487 0.004 0.000 0.968 223 N HN 0.590 nan 8.380 nan 0.000 0.445 224 E N 2.130 122.340 120.200 0.017 0.000 2.313 224 E HA 0.270 4.620 4.350 0.000 0.000 0.272 224 E C -2.170 174.436 176.600 0.010 0.000 1.038 224 E CA -1.997 54.413 56.400 0.017 0.000 0.863 224 E CB 0.684 30.400 29.700 0.027 0.000 1.060 224 E HN 0.219 nan 8.360 nan 0.000 0.402 225 P HA -0.035 nan 4.420 nan 0.000 0.270 225 P C -2.144 175.155 177.300 -0.002 0.000 1.227 225 P CA -0.986 62.115 63.100 0.002 0.000 0.788 225 P CB -0.150 31.552 31.700 0.004 0.000 0.926 226 P HA -0.175 nan 4.420 nan 0.000 0.216 226 P C 1.675 178.964 177.300 -0.020 0.000 1.153 226 P CA 2.207 65.290 63.100 -0.027 0.000 0.858 226 P CB -0.532 31.147 31.700 -0.036 0.000 0.789 227 G N -0.077 108.720 108.800 -0.006 0.000 2.418 227 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 227 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 227 G C 1.676 176.588 174.900 0.020 0.000 1.158 227 G CA 0.948 46.053 45.100 0.007 0.000 0.771 227 G HN 0.331 nan 8.290 nan 0.000 0.545 228 A N 0.835 123.666 122.820 0.019 0.000 1.883 228 A HA -0.046 4.274 4.320 0.000 0.000 0.217 228 A C 2.414 180.017 177.584 0.031 0.000 1.186 228 A CA 1.768 53.820 52.037 0.026 0.000 0.624 228 A CB -0.418 18.597 19.000 0.026 0.000 0.822 228 A HN 0.335 nan 8.150 nan 0.000 0.444 229 R N -0.792 119.722 120.500 0.023 0.000 2.189 229 R HA 0.046 4.386 4.340 0.000 0.000 0.223 229 R C 2.070 178.397 176.300 0.044 0.000 1.092 229 R CA 0.877 56.994 56.100 0.028 0.000 0.989 229 R CB -0.260 30.043 30.300 0.006 0.000 0.876 229 R HN 0.517 nan 8.270 nan 0.000 0.457 230 A N -0.013 122.825 122.820 0.031 0.000 2.169 230 A HA 0.045 4.365 4.320 0.000 0.000 0.212 230 A C 1.660 179.360 177.584 0.194 0.000 1.153 230 A CA 0.634 52.701 52.037 0.049 0.000 0.756 230 A CB 0.232 19.206 19.000 -0.045 0.000 0.813 230 A HN 0.022 nan 8.150 nan 0.000 0.471 231 R N -1.699 118.868 120.500 0.113 0.000 2.394 231 R HA 0.157 4.497 4.340 0.000 0.000 0.220 231 R C 1.642 177.946 176.300 0.007 0.000 0.887 231 R CA 0.693 56.834 56.100 0.068 0.000 1.034 231 R CB -0.762 29.561 30.300 0.039 0.000 1.179 231 R HN 0.324 nan 8.270 nan 0.000 0.561 232 V N 1.456 121.383 119.914 0.021 0.000 2.594 232 V HA -0.141 3.979 4.120 0.000 0.000 0.253 232 V C 2.095 178.155 176.094 -0.056 0.000 1.069 232 V CA 1.975 64.267 62.300 -0.013 0.000 1.082 232 V CB -0.282 31.548 31.823 0.012 0.000 0.680 232 V HN 0.280 nan 8.190 nan 0.000 0.469 233 A N -0.211 122.573 122.820 -0.060 0.000 1.933 233 A HA -0.111 4.209 4.320 0.000 0.000 0.218 233 A C 2.072 179.550 177.584 -0.177 0.000 1.175 233 A CA 1.859 53.810 52.037 -0.142 0.000 0.628 233 A CB -0.469 18.404 19.000 -0.211 0.000 0.814 233 A HN 0.578 nan 8.150 nan 0.000 0.444 234 L N -0.734 120.383 121.223 -0.177 0.000 2.201 234 L HA -0.115 4.225 4.340 0.000 0.000 0.212 234 L C 2.581 179.355 176.870 -0.159 0.000 1.105 234 L CA 1.510 56.231 54.840 -0.198 0.000 0.775 234 L CB -1.054 40.849 42.059 -0.260 0.000 0.913 234 L HN 0.322 nan 8.230 nan 0.000 0.440 235 T N -0.036 114.441 114.554 -0.128 0.000 2.770 235 T HA -0.080 4.270 4.350 0.000 0.000 0.263 235 T C 1.944 176.589 174.700 -0.091 0.000 1.039 235 T CA 1.333 63.372 62.100 -0.102 0.000 1.142 235 T CB -0.476 68.347 68.868 -0.075 0.000 0.868 235 T HN 0.522 nan 8.240 nan 0.000 0.435 236 G N 1.534 110.276 108.800 -0.097 0.000 2.432 236 G HA2 -0.134 3.826 3.960 0.000 0.000 0.219 236 G HA3 -0.134 3.826 3.960 0.000 0.000 0.219 236 G C 1.519 176.376 174.900 -0.072 0.000 1.135 236 G CA 0.581 45.629 45.100 -0.087 0.000 0.767 236 G HN 0.366 nan 8.290 nan 0.000 0.550 237 L N 1.099 122.263 121.223 -0.099 0.000 2.027 237 L HA 0.037 4.377 4.340 0.000 0.000 0.206 237 L C 2.788 179.624 176.870 -0.056 0.000 1.074 237 L CA 2.435 57.221 54.840 -0.090 0.000 0.745 237 L CB -1.181 40.800 42.059 -0.130 0.000 0.898 237 L HN 0.159 nan 8.230 nan 0.000 0.433 238 T N 0.125 114.637 114.554 -0.069 0.000 2.833 238 T HA -0.134 4.216 4.350 0.000 0.000 0.269 238 T C 2.004 176.680 174.700 -0.040 0.000 1.054 238 T CA 1.829 63.896 62.100 -0.055 0.000 1.135 238 T CB -0.257 68.564 68.868 -0.078 0.000 0.869 238 T HN 0.334 nan 8.240 nan 0.000 0.466 239 I N 1.121 121.663 120.570 -0.046 0.000 2.286 239 I HA -0.111 4.059 4.170 0.000 0.000 0.245 239 I C 2.938 179.075 176.117 0.033 0.000 1.104 239 I CA 1.016 62.280 61.300 -0.061 0.000 1.397 239 I CB -0.505 37.485 38.000 -0.017 0.000 1.072 239 I HN 0.183 nan 8.210 nan 0.000 0.417 240 A N 0.621 123.512 122.820 0.118 0.000 1.930 240 A HA -0.207 4.113 4.320 0.000 0.000 0.217 240 A C 2.184 179.857 177.584 0.148 0.000 1.175 240 A CA 1.547 53.707 52.037 0.206 0.000 0.627 240 A CB -0.545 18.512 19.000 0.096 0.000 0.815 240 A HN 0.425 nan 8.150 nan 0.000 0.443 241 E N -1.610 118.627 120.200 0.061 0.000 2.058 241 E HA -0.235 4.115 4.350 0.000 0.000 0.194 241 E C 1.855 178.482 176.600 0.045 0.000 0.997 241 E CA 1.544 57.968 56.400 0.040 0.000 0.801 241 E CB -0.337 29.370 29.700 0.013 0.000 0.746 241 E HN 0.778 nan 8.360 nan 0.000 0.450 242 Y N 0.117 120.353 120.300 -0.105 0.000 2.207 242 Y HA -0.254 4.296 4.550 0.000 0.000 0.287 242 Y C 1.774 177.607 175.900 -0.113 0.000 1.156 242 Y CA 1.430 59.430 58.100 -0.167 0.000 1.182 242 Y CB -0.105 38.175 38.460 -0.300 0.000 0.979 242 Y HN -0.026 nan 8.280 nan 0.000 0.521 243 F N -0.045 119.974 119.950 0.116 0.000 2.186 243 F HA -0.093 4.434 4.527 0.000 0.000 0.299 243 F C 2.683 178.502 175.800 0.031 0.000 1.090 243 F CA 1.652 59.717 58.000 0.109 0.000 1.307 243 F CB -0.827 38.299 39.000 0.210 0.000 1.019 243 F HN -0.044 nan 8.300 nan 0.000 0.489 244 R N 0.410 121.022 120.500 0.186 0.000 2.073 244 R HA -0.156 4.184 4.340 0.000 0.000 0.234 244 R C 1.600 177.902 176.300 0.002 0.000 1.134 244 R CA 2.165 58.312 56.100 0.078 0.000 0.952 244 R CB -0.300 30.028 30.300 0.047 0.000 0.850 244 R HN 0.161 nan 8.270 nan 0.000 0.433 245 D N -0.264 120.098 120.400 -0.064 0.000 2.214 245 D HA -0.071 4.569 4.640 0.000 0.000 0.217 245 D C 1.883 178.077 176.300 -0.176 0.000 0.973 245 D CA 0.937 54.871 54.000 -0.109 0.000 0.880 245 D CB -0.071 40.665 40.800 -0.106 0.000 1.031 245 D HN 0.213 nan 8.370 nan 0.000 0.468 246 E N 0.463 120.440 120.200 -0.371 0.000 2.216 246 E HA -0.042 4.308 4.350 0.000 0.000 0.192 246 E C 1.862 178.298 176.600 -0.274 0.000 0.973 246 E CA 0.425 56.559 56.400 -0.442 0.000 0.851 246 E CB 0.057 29.185 29.700 -0.954 0.000 0.804 246 E HN 0.168 nan 8.360 nan 0.000 0.477 247 E N 0.546 120.628 120.200 -0.196 0.000 2.112 247 E HA 0.017 4.367 4.350 0.000 0.000 0.190 247 E C 0.487 177.124 176.600 0.062 0.000 0.979 247 E CA 0.904 57.342 56.400 0.062 0.000 0.814 247 E CB -0.103 29.807 29.700 0.351 0.000 0.762 247 E HN 0.293 nan 8.360 nan 0.000 0.460 248 G N 1.184 109.999 108.800 0.026 0.000 2.422 248 G HA2 -0.298 3.663 3.960 0.000 0.000 0.290 248 G HA3 -0.298 3.663 3.960 0.000 0.000 0.290 248 G C -0.217 174.696 174.900 0.022 0.000 1.059 248 G CA 0.818 45.925 45.100 0.012 0.000 1.242 248 G HN 0.322 nan 8.290 nan 0.000 0.520 249 Q N -0.845 118.978 119.800 0.039 0.000 2.738 249 Q HA 0.360 4.700 4.340 0.000 0.000 0.301 249 Q C -1.324 174.687 176.000 0.017 0.000 0.901 249 Q CA -0.983 54.818 55.803 -0.003 0.000 0.756 249 Q CB 1.350 30.056 28.738 -0.054 0.000 1.463 249 Q HN 0.263 nan 8.270 nan 0.000 0.432 250 D N 0.568 120.962 120.400 -0.008 0.000 2.417 250 D HA 0.303 4.943 4.640 0.000 0.000 0.250 250 D C -1.068 175.328 176.300 0.160 0.000 1.166 250 D CA 0.418 54.471 54.000 0.088 0.000 0.881 250 D CB 0.953 41.819 40.800 0.109 0.000 1.164 250 D HN 0.123 nan 8.370 nan 0.000 0.467 251 V N 3.315 123.281 119.914 0.087 0.000 2.604 251 V HA 0.389 4.509 4.120 0.000 0.000 0.305 251 V C -0.060 175.944 176.094 -0.150 0.000 1.043 251 V CA -0.943 61.362 62.300 0.008 0.000 0.888 251 V CB 1.658 33.529 31.823 0.079 0.000 0.995 251 V HN 0.380 nan 8.190 nan 0.000 0.429 252 L N 4.673 125.731 121.223 -0.275 0.000 2.295 252 L HA 0.591 4.931 4.340 0.000 0.000 0.285 252 L C -0.785 175.891 176.870 -0.324 0.000 1.035 252 L CA -0.534 54.063 54.840 -0.406 0.000 0.806 252 L CB 1.653 43.419 42.059 -0.488 0.000 1.214 252 L HN 0.501 nan 8.230 nan 0.000 0.426 253 L N 4.356 125.317 121.223 -0.436 0.000 2.345 253 L HA 0.534 4.874 4.340 0.000 0.000 0.274 253 L C -1.264 175.341 176.870 -0.443 0.000 0.999 253 L CA 0.093 54.755 54.840 -0.297 0.000 0.849 253 L CB 0.754 42.701 42.059 -0.188 0.000 1.220 253 L HN 0.185 nan 8.230 nan 0.000 0.422 254 F N 5.752 125.627 119.950 -0.124 0.000 2.408 254 F HA 0.583 5.110 4.527 0.000 0.000 0.344 254 F C 0.203 175.726 175.800 -0.463 0.000 1.112 254 F CA -0.386 57.495 58.000 -0.198 0.000 1.096 254 F CB 1.242 40.223 39.000 -0.031 0.000 1.129 254 F HN 0.233 nan 8.300 nan 0.000 0.486 255 I N 2.982 123.424 120.570 -0.213 0.000 2.447 255 I HA 0.274 4.444 4.170 0.000 0.000 0.287 255 I C -1.274 174.705 176.117 -0.230 0.000 1.023 255 I CA -0.544 60.567 61.300 -0.316 0.000 1.083 255 I CB 1.910 39.778 38.000 -0.220 0.000 1.245 255 I HN 0.435 nan 8.210 nan 0.000 0.434 256 D N 6.580 126.816 120.400 -0.274 0.000 2.476 256 D HA 0.285 4.925 4.640 0.000 0.000 0.251 256 D C -1.404 174.907 176.300 0.018 0.000 1.291 256 D CA -0.241 53.733 54.000 -0.044 0.000 0.939 256 D CB 1.264 42.126 40.800 0.103 0.000 1.221 256 D HN 0.435 nan 8.370 nan 0.000 0.567 257 N N 3.900 122.630 118.700 0.050 0.000 2.225 257 N HA 0.213 4.953 4.740 0.000 0.000 0.298 257 N C 0.171 175.725 175.510 0.073 0.000 1.076 257 N CA -0.491 52.598 53.050 0.066 0.000 0.792 257 N CB 1.884 40.452 38.487 0.135 0.000 1.498 257 N HN 0.350 nan 8.380 nan 0.000 0.474 258 I N 3.144 123.740 120.570 0.044 0.000 3.059 258 I HA 0.055 4.225 4.170 0.000 0.000 0.270 258 I C 1.590 177.791 176.117 0.139 0.000 1.238 258 I CA 0.391 61.712 61.300 0.035 0.000 1.478 258 I CB -0.321 37.641 38.000 -0.064 0.000 1.097 258 I HN 0.596 nan 8.210 nan 0.000 0.455 259 F N 1.366 121.341 119.950 0.041 0.000 2.216 259 F HA -0.174 4.353 4.527 0.000 0.000 0.300 259 F C 2.259 178.127 175.800 0.114 0.000 1.085 259 F CA 1.403 59.460 58.000 0.096 0.000 1.326 259 F CB -0.313 38.785 39.000 0.164 0.000 1.027 259 F HN -0.058 nan 8.300 nan 0.000 0.497 260 R N -0.017 120.484 120.500 0.001 0.000 2.152 260 R HA -0.198 4.142 4.340 0.000 0.000 0.232 260 R C 2.177 178.394 176.300 -0.139 0.000 1.117 260 R CA 1.385 57.413 56.100 -0.121 0.000 0.981 260 R CB -1.645 28.678 30.300 0.038 0.000 0.870 260 R HN 0.500 nan 8.270 nan 0.000 0.451 261 F N 1.548 121.399 119.950 -0.166 0.000 2.171 261 F HA -0.161 4.366 4.527 0.000 0.000 0.300 261 F C 1.905 177.611 175.800 -0.158 0.000 1.090 261 F CA 1.552 59.472 58.000 -0.134 0.000 1.293 261 F CB -0.248 38.688 39.000 -0.107 0.000 1.013 261 F HN -0.146 nan 8.300 nan 0.000 0.486 262 T N 0.027 114.319 114.554 -0.437 0.000 2.894 262 T HA -0.150 4.200 4.350 0.000 0.000 0.258 262 T C 1.877 176.336 174.700 -0.403 0.000 1.043 262 T CA 1.221 63.044 62.100 -0.462 0.000 1.141 262 T CB -0.268 68.473 68.868 -0.213 0.000 0.873 262 T HN 0.421 nan 8.240 nan 0.000 0.449 263 Q N 0.841 120.295 119.800 -0.577 0.000 2.050 263 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 263 Q C 2.500 178.335 176.000 -0.274 0.000 0.980 263 Q CA 1.629 57.151 55.803 -0.469 0.000 0.840 263 Q CB -0.315 28.001 28.738 -0.703 0.000 0.898 263 Q HN 0.499 nan 8.270 nan 0.000 0.424 264 A N 0.645 123.303 122.820 -0.270 0.000 1.883 264 A HA -0.169 4.151 4.320 0.000 0.000 0.217 264 A C 2.321 179.788 177.584 -0.194 0.000 1.186 264 A CA 1.849 53.775 52.037 -0.184 0.000 0.624 264 A CB -1.560 17.352 19.000 -0.147 0.000 0.822 264 A HN 0.634 nan 8.150 nan 0.000 0.444 265 G N -1.070 107.547 108.800 -0.304 0.000 2.469 265 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 265 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 265 G C 1.907 176.713 174.900 -0.157 0.000 1.136 265 G CA 1.581 46.515 45.100 -0.278 0.000 0.759 265 G HN 0.590 nan 8.290 nan 0.000 0.562 266 S N -0.050 115.569 115.700 -0.136 0.000 2.406 266 S HA -0.036 4.434 4.470 0.000 0.000 0.228 266 S C 2.165 176.717 174.600 -0.080 0.000 1.020 266 S CA 1.390 59.547 58.200 -0.073 0.000 0.965 266 S CB -0.221 62.939 63.200 -0.068 0.000 0.798 266 S HN 0.577 nan 8.310 nan 0.000 0.488 267 E N 0.280 120.426 120.200 -0.090 0.000 2.285 267 E HA -0.041 4.309 4.350 0.000 0.000 0.194 267 E C 1.733 178.302 176.600 -0.051 0.000 0.997 267 E CA 1.220 57.579 56.400 -0.068 0.000 0.845 267 E CB 0.164 29.825 29.700 -0.065 0.000 0.782 267 E HN 0.638 nan 8.360 nan 0.000 0.491 268 V N -2.697 117.186 119.914 -0.052 0.000 3.643 268 V HA 0.139 4.259 4.120 0.000 0.000 0.280 268 V C 1.988 178.066 176.094 -0.027 0.000 1.351 268 V CA 0.572 62.851 62.300 -0.035 0.000 1.073 268 V CB 0.727 32.532 31.823 -0.031 0.000 0.863 268 V HN 0.034 nan 8.190 nan 0.000 0.436 269 S N 1.718 117.399 115.700 -0.033 0.000 2.368 269 S HA -0.118 4.352 4.470 0.000 0.000 0.225 269 S C 2.143 176.735 174.600 -0.013 0.000 1.030 269 S CA 2.045 60.232 58.200 -0.022 0.000 0.999 269 S CB -0.323 62.866 63.200 -0.019 0.000 0.844 269 S HN 0.957 nan 8.310 nan 0.000 0.459 270 A N 1.159 123.970 122.820 -0.015 0.000 1.898 270 A HA 0.144 4.464 4.320 0.000 0.000 0.216 270 A C 2.189 179.770 177.584 -0.005 0.000 1.181 270 A CA 1.194 53.226 52.037 -0.009 0.000 0.620 270 A CB -0.705 18.288 19.000 -0.012 0.000 0.819 270 A HN 0.576 nan 8.150 nan 0.000 0.442 271 L N -0.661 120.558 121.223 -0.007 0.000 2.376 271 L HA -0.008 4.332 4.340 0.000 0.000 0.219 271 L C 2.106 178.977 176.870 0.002 0.000 1.133 271 L CA 0.308 55.147 54.840 -0.002 0.000 0.816 271 L CB -0.224 41.833 42.059 -0.004 0.000 0.933 271 L HN 0.371 nan 8.230 nan 0.000 0.449 272 L N -0.560 120.663 121.223 0.000 0.000 2.376 272 L HA 0.005 4.345 4.340 0.000 0.000 0.219 272 L C 1.352 178.227 176.870 0.008 0.000 1.133 272 L CA 0.930 55.773 54.840 0.005 0.000 0.816 272 L CB -0.186 41.874 42.059 0.001 0.000 0.933 272 L HN 0.465 nan 8.230 nan 0.000 0.449 273 G N 0.058 108.862 108.800 0.006 0.000 2.145 273 G HA2 -0.178 3.782 3.960 0.000 0.000 0.145 273 G HA3 -0.178 3.782 3.960 0.000 0.000 0.145 273 G C -0.070 174.835 174.900 0.007 0.000 1.017 273 G CA -0.665 44.440 45.100 0.008 0.000 0.682 273 G HN 0.253 nan 8.290 nan 0.000 0.504 274 R N -0.131 120.372 120.500 0.006 0.000 2.460 274 R HA 0.677 5.017 4.340 0.000 0.000 0.303 274 R C 0.687 176.992 176.300 0.008 0.000 0.968 274 R CA -0.840 55.264 56.100 0.007 0.000 0.889 274 R CB 1.509 31.813 30.300 0.007 0.000 1.123 274 R HN 0.263 nan 8.270 nan 0.000 0.455 275 I N 5.118 125.695 120.570 0.011 0.000 2.618 275 I HA 0.064 4.235 4.170 0.000 0.000 0.284 275 I C -1.445 174.683 176.117 0.017 0.000 1.146 275 I CA -1.378 59.930 61.300 0.012 0.000 1.425 275 I CB 0.315 38.324 38.000 0.013 0.000 1.383 275 I HN 0.360 nan 8.210 nan 0.000 0.562 276 P HA 0.095 nan 4.420 nan 0.000 0.274 276 P C -0.428 176.896 177.300 0.040 0.000 1.237 276 P CA -0.309 62.806 63.100 0.026 0.000 0.793 276 P CB 1.350 33.059 31.700 0.014 0.000 0.977 277 S N 0.001 115.740 115.700 0.064 0.000 2.623 277 S HA 0.626 5.097 4.470 0.000 0.000 0.287 277 S C -0.013 174.643 174.600 0.092 0.000 1.123 277 S CA -0.453 57.792 58.200 0.076 0.000 1.016 277 S CB 0.156 63.410 63.200 0.089 0.000 1.233 277 S HN 0.634 nan 8.310 nan 0.000 0.512 278 A N 0.249 123.132 122.820 0.105 0.000 2.483 278 A HA 0.450 4.770 4.320 0.000 0.000 0.238 278 A C 0.821 178.510 177.584 0.176 0.000 1.070 278 A CA 0.270 52.375 52.037 0.113 0.000 0.770 278 A CB -0.608 18.452 19.000 0.101 0.000 1.008 278 A HN 1.601 nan 8.150 nan 0.000 0.497 279 V N 1.069 121.059 119.914 0.127 0.000 4.654 279 V HA -0.291 3.830 4.120 0.000 0.000 0.261 279 V C 1.648 177.732 176.094 -0.016 0.000 0.471 279 V CA 1.619 63.985 62.300 0.110 0.000 0.802 279 V CB -2.529 29.437 31.823 0.238 0.000 0.768 279 V HN 2.863 nan 8.190 nan 0.000 1.286 280 G N -2.301 106.493 108.800 -0.010 0.000 2.187 280 G HA2 -0.351 3.609 3.960 0.000 0.000 0.261 280 G HA3 -0.351 3.609 3.960 0.000 0.000 0.261 280 G C -0.191 174.630 174.900 -0.131 0.000 1.000 280 G CA 0.751 45.803 45.100 -0.080 0.000 0.718 280 G HN 0.884 nan 8.290 nan 0.000 0.519 281 Y N 0.714 121.030 120.300 0.027 0.000 2.374 281 Y HA 0.465 5.015 4.550 -0.000 0.000 0.322 281 Y C 1.241 177.140 175.900 -0.002 0.000 1.275 281 Y CA -0.502 57.606 58.100 0.013 0.000 1.307 281 Y CB 0.616 39.094 38.460 0.030 0.000 1.282 281 Y HN 0.400 nan 8.280 nan 0.000 0.509 282 Q N 2.382 122.289 119.800 0.179 0.000 2.395 282 Q HA 0.063 4.403 4.340 0.000 0.000 0.271 282 Q C -2.384 173.660 176.000 0.074 0.000 1.026 282 Q CA -1.442 54.409 55.803 0.081 0.000 0.900 282 Q CB 0.682 29.439 28.738 0.031 0.000 1.266 282 Q HN 0.387 nan 8.270 nan 0.000 0.430 283 P HA -0.052 nan 4.420 nan 0.000 0.225 283 P C 0.884 178.204 177.300 0.033 0.000 1.156 283 P CA 1.363 64.487 63.100 0.041 0.000 0.787 283 P CB 0.012 31.730 31.700 0.030 0.000 0.802 284 T N -3.807 110.762 114.554 0.026 0.000 3.235 284 T HA 0.141 4.491 4.350 0.000 0.000 0.251 284 T C 1.459 176.175 174.700 0.026 0.000 1.060 284 T CA -0.273 61.842 62.100 0.025 0.000 0.949 284 T CB -1.096 67.783 68.868 0.018 0.000 1.020 284 T HN -0.042 nan 8.240 nan 0.000 0.564 285 L N 1.060 122.295 121.223 0.020 0.000 1.978 285 L HA -0.148 4.192 4.340 0.000 0.000 0.218 285 L C 2.817 179.709 176.870 0.036 0.000 1.075 285 L CA 2.225 57.065 54.840 -0.001 0.000 0.767 285 L CB -0.750 41.280 42.059 -0.049 0.000 0.890 285 L HN 0.416 nan 8.230 nan 0.000 0.434 286 A N -0.971 121.878 122.820 0.048 0.000 1.897 286 A HA -0.185 4.135 4.320 0.000 0.000 0.215 286 A C 2.312 179.959 177.584 0.105 0.000 1.181 286 A CA 2.023 54.113 52.037 0.088 0.000 0.620 286 A CB -1.183 17.864 19.000 0.077 0.000 0.821 286 A HN 0.643 nan 8.150 nan 0.000 0.443 287 T N -1.617 112.985 114.554 0.079 0.000 2.821 287 T HA -0.147 4.203 4.350 0.000 0.000 0.267 287 T C 1.311 176.068 174.700 0.094 0.000 1.046 287 T CA 1.477 63.624 62.100 0.078 0.000 1.139 287 T CB -0.488 68.413 68.868 0.055 0.000 0.871 287 T HN 0.365 nan 8.240 nan 0.000 0.454 288 D N 0.977 121.444 120.400 0.111 0.000 2.117 288 D HA -0.023 4.617 4.640 0.000 0.000 0.197 288 D C 1.983 178.432 176.300 0.248 0.000 0.987 288 D CA 0.938 55.053 54.000 0.192 0.000 0.829 288 D CB -0.436 40.474 40.800 0.184 0.000 0.961 288 D HN 0.367 nan 8.370 nan 0.000 0.460 289 M N 0.472 120.197 119.600 0.207 0.000 2.213 289 M HA -0.078 4.403 4.480 0.000 0.000 0.263 289 M C 1.966 178.204 176.300 -0.104 0.000 1.062 289 M CA 1.741 57.092 55.300 0.085 0.000 1.105 289 M CB -0.098 32.538 32.600 0.061 0.000 1.385 289 M HN 0.032 nan 8.290 nan 0.000 0.417 290 G N 0.484 109.303 108.800 0.032 0.000 2.414 290 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 290 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 290 G C 1.354 176.262 174.900 0.014 0.000 1.188 290 G CA 0.653 45.803 45.100 0.083 0.000 0.783 290 G HN 0.441 nan 8.290 nan 0.000 0.537 291 L N -0.244 120.993 121.223 0.023 0.000 2.081 291 L HA -0.087 4.253 4.340 0.000 0.000 0.212 291 L C 2.666 179.501 176.870 -0.059 0.000 1.080 291 L CA 0.829 55.675 54.840 0.010 0.000 0.754 291 L CB -0.299 41.790 42.059 0.049 0.000 0.893 291 L HN 0.301 nan 8.230 nan 0.000 0.433 292 L N -1.399 119.735 121.223 -0.148 0.000 2.084 292 L HA -0.093 4.247 4.340 0.000 0.000 0.202 292 L C 2.548 179.265 176.870 -0.256 0.000 1.074 292 L CA 1.493 56.161 54.840 -0.286 0.000 0.757 292 L CB -0.598 41.088 42.059 -0.623 0.000 0.918 292 L HN 0.111 nan 8.230 nan 0.000 0.444 293 Q N 0.213 119.839 119.800 -0.290 0.000 2.084 293 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 293 Q C 2.050 177.985 176.000 -0.109 0.000 0.978 293 Q CA 1.495 57.138 55.803 -0.266 0.000 0.844 293 Q CB -0.344 28.075 28.738 -0.532 0.000 0.898 293 Q HN 0.620 nan 8.270 nan 0.000 0.426 294 E N 0.388 120.560 120.200 -0.046 0.000 2.409 294 E HA -0.114 4.236 4.350 0.000 0.000 0.198 294 E C 1.802 178.394 176.600 -0.012 0.000 1.024 294 E CA 0.385 56.795 56.400 0.017 0.000 0.861 294 E CB 0.017 29.749 29.700 0.054 0.000 0.788 294 E HN 0.317 nan 8.360 nan 0.000 0.521 295 R N 0.059 120.529 120.500 -0.049 0.000 2.161 295 R HA 0.134 4.474 4.340 0.000 0.000 0.213 295 R C 1.009 177.274 176.300 -0.059 0.000 1.055 295 R CA 0.287 56.356 56.100 -0.051 0.000 0.996 295 R CB 0.189 30.447 30.300 -0.069 0.000 0.901 295 R HN 0.046 nan 8.270 nan 0.000 0.456 296 I N 1.801 122.323 120.570 -0.079 0.000 2.227 296 I HA 0.054 4.224 4.170 0.000 0.000 0.297 296 I C -0.047 176.034 176.117 -0.060 0.000 1.173 296 I CA 0.161 61.410 61.300 -0.085 0.000 1.356 296 I CB 0.654 38.581 38.000 -0.121 0.000 1.485 296 I HN -0.041 nan 8.210 nan 0.000 0.604 297 T N 2.468 116.995 114.554 -0.045 0.000 2.830 297 T HA 0.287 4.637 4.350 0.000 0.000 0.322 297 T C -0.472 174.211 174.700 -0.028 0.000 1.501 297 T CA -0.363 61.719 62.100 -0.031 0.000 1.036 297 T CB 1.724 70.582 68.868 -0.015 0.000 1.379 297 T HN 0.214 nan 8.240 nan 0.000 0.493 298 T N 3.069 117.607 114.554 -0.027 0.000 2.889 298 T HA 0.660 5.010 4.350 0.000 0.000 0.291 298 T C 0.376 175.058 174.700 -0.029 0.000 0.995 298 T CA -0.158 61.927 62.100 -0.025 0.000 1.092 298 T CB 0.944 69.798 68.868 -0.024 0.000 0.954 298 T HN 0.919 nan 8.240 nan 0.000 0.506 299 T N -0.175 114.362 114.554 -0.028 0.000 2.693 299 T HA 0.469 4.819 4.350 0.000 0.000 0.278 299 T C 0.886 175.564 174.700 -0.037 0.000 0.994 299 T CA -0.995 61.084 62.100 -0.036 0.000 1.033 299 T CB 1.260 70.109 68.868 -0.032 0.000 1.342 299 T HN 0.385 nan 8.240 nan 0.000 0.538 300 K N 0.016 120.390 120.400 -0.042 0.000 2.365 300 K HA 0.089 4.409 4.320 0.000 0.000 0.199 300 K C 1.918 178.500 176.600 -0.031 0.000 1.045 300 K CA 0.649 56.913 56.287 -0.039 0.000 0.962 300 K CB -0.009 32.465 32.500 -0.044 0.000 0.759 300 K HN 0.449 nan 8.250 nan 0.000 0.469 301 K N 0.061 120.443 120.400 -0.029 0.000 2.211 301 K HA 0.036 4.356 4.320 0.000 0.000 0.201 301 K C 0.793 177.380 176.600 -0.021 0.000 1.052 301 K CA 0.511 56.782 56.287 -0.027 0.000 0.973 301 K CB 0.673 33.154 32.500 -0.031 0.000 0.766 301 K HN 0.169 nan 8.250 nan 0.000 0.466 302 G N -0.553 108.237 108.800 -0.017 0.000 2.523 302 G HA2 0.210 4.170 3.960 0.000 0.000 0.291 302 G HA3 0.210 4.170 3.960 0.000 0.000 0.291 302 G C -1.684 173.214 174.900 -0.003 0.000 1.450 302 G CA -0.592 44.504 45.100 -0.006 0.000 0.790 302 G HN -0.108 nan 8.290 nan 0.000 0.496 303 S N -1.233 114.470 115.700 0.006 0.000 2.489 303 S HA 0.710 5.180 4.470 0.000 0.000 0.291 303 S C -0.537 174.067 174.600 0.007 0.000 1.151 303 S CA -0.485 57.718 58.200 0.005 0.000 1.082 303 S CB 1.255 64.462 63.200 0.012 0.000 1.019 303 S HN 0.872 nan 8.310 nan 0.000 0.492 304 V N 4.542 124.446 119.914 -0.016 0.000 2.525 304 V HA 0.433 4.553 4.120 0.000 0.000 0.299 304 V C -0.265 175.781 176.094 -0.079 0.000 1.034 304 V CA -0.692 61.582 62.300 -0.044 0.000 0.863 304 V CB 1.965 33.761 31.823 -0.045 0.000 0.999 304 V HN 0.894 nan 8.190 nan 0.000 0.423 305 T N 3.849 118.327 114.554 -0.126 0.000 2.756 305 T HA 0.497 4.847 4.350 0.000 0.000 0.290 305 T C 0.027 174.569 174.700 -0.263 0.000 0.985 305 T CA -0.357 61.647 62.100 -0.160 0.000 0.955 305 T CB 1.019 69.793 68.868 -0.156 0.000 0.930 305 T HN 0.832 nan 8.240 nan 0.000 0.451 306 S N 2.181 117.738 115.700 -0.239 0.000 2.482 306 S HA 0.759 5.229 4.470 0.000 0.000 0.303 306 S C -0.609 173.823 174.600 -0.281 0.000 1.091 306 S CA -0.798 57.228 58.200 -0.289 0.000 1.057 306 S CB 1.438 64.513 63.200 -0.208 0.000 1.031 306 S HN 0.374 nan 8.310 nan 0.000 0.485 307 V N 3.062 122.789 119.914 -0.311 0.000 2.407 307 V HA 0.472 4.592 4.120 0.000 0.000 0.291 307 V C -0.579 175.467 176.094 -0.080 0.000 1.018 307 V CA -0.491 61.716 62.300 -0.155 0.000 0.842 307 V CB 1.163 32.999 31.823 0.020 0.000 0.996 307 V HN 0.964 nan 8.190 nan 0.000 0.426 308 Q N 3.039 122.775 119.800 -0.107 0.000 2.327 308 Q HA 0.710 5.050 4.340 0.000 0.000 0.270 308 Q C -0.149 175.778 176.000 -0.123 0.000 1.022 308 Q CA -0.480 55.251 55.803 -0.120 0.000 0.773 308 Q CB 2.369 31.009 28.738 -0.162 0.000 1.251 308 Q HN 0.919 nan 8.270 nan 0.000 0.457 309 A N 2.391 125.172 122.820 -0.066 0.000 2.440 309 A HA 0.450 4.770 4.320 0.000 0.000 0.251 309 A C -0.306 177.196 177.584 -0.137 0.000 1.089 309 A CA -0.229 51.770 52.037 -0.064 0.000 0.779 309 A CB 0.495 19.517 19.000 0.038 0.000 1.022 309 A HN 0.514 nan 8.150 nan 0.000 0.492 310 V N 4.077 123.834 119.914 -0.262 0.000 2.398 310 V HA 0.155 4.275 4.120 0.000 0.000 0.282 310 V C -0.527 175.439 176.094 -0.213 0.000 1.014 310 V CA -0.487 61.601 62.300 -0.354 0.000 0.838 310 V CB 0.531 31.755 31.823 -0.998 0.000 1.018 310 V HN 0.841 nan 8.190 nan 0.000 0.432 311 Y N 5.210 125.419 120.300 -0.152 0.000 2.578 311 Y HA 0.414 4.964 4.550 0.000 0.000 0.339 311 Y C -0.088 175.598 175.900 -0.357 0.000 1.231 311 Y CA 0.262 58.226 58.100 -0.228 0.000 1.461 311 Y CB 1.061 39.372 38.460 -0.248 0.000 1.323 311 Y HN 0.368 nan 8.280 nan 0.000 0.590 312 V N 8.386 127.605 119.914 -1.157 0.000 2.380 312 V HA 0.292 4.412 4.120 0.000 0.000 0.286 312 V C -2.374 173.120 176.094 -0.999 0.000 1.015 312 V CA -2.055 59.775 62.300 -0.784 0.000 0.834 312 V CB 1.301 32.940 31.823 -0.307 0.000 1.009 312 V HN 0.711 nan 8.190 nan 0.000 0.428 313 P HA 0.195 nan 4.420 nan 0.000 0.266 313 P C 0.642 177.835 177.300 -0.179 0.000 1.215 313 P CA 0.837 63.722 63.100 -0.359 0.000 0.763 313 P CB 0.828 32.500 31.700 -0.046 0.000 0.806 314 A N 4.233 126.994 122.820 -0.100 0.000 2.861 314 A HA -0.261 4.059 4.320 0.000 0.000 0.261 314 A C 1.081 178.628 177.584 -0.062 0.000 1.351 314 A CA 1.232 53.249 52.037 -0.033 0.000 0.904 314 A CB -2.521 16.482 19.000 0.005 0.000 1.076 314 A HN 0.581 nan 8.150 nan 0.000 0.729 315 D N -2.111 118.210 120.400 -0.133 0.000 2.946 315 D HA -0.183 4.457 4.640 0.000 0.000 0.202 315 D C -0.135 176.127 176.300 -0.063 0.000 1.068 315 D CA 2.023 55.964 54.000 -0.099 0.000 1.011 315 D CB -1.397 39.375 40.800 -0.047 0.000 1.105 315 D HN 0.936 nan 8.370 nan 0.000 0.425 316 D N 0.484 120.850 120.400 -0.055 0.000 2.359 316 D HA 0.173 4.813 4.640 0.000 0.000 0.250 316 D C 1.549 177.858 176.300 0.015 0.000 1.264 316 D CA -0.091 53.903 54.000 -0.011 0.000 0.911 316 D CB 0.140 40.946 40.800 0.010 0.000 1.056 316 D HN 0.188 nan 8.370 nan 0.000 0.499 317 L N 2.555 123.803 121.223 0.042 0.000 2.362 317 L HA -0.090 4.250 4.340 0.000 0.000 0.219 317 L C 2.263 179.210 176.870 0.128 0.000 1.134 317 L CA 1.175 56.086 54.840 0.117 0.000 0.807 317 L CB -0.391 41.740 42.059 0.119 0.000 0.927 317 L HN 0.471 nan 8.230 nan 0.000 0.447 318 T N -4.668 109.928 114.554 0.069 0.000 3.113 318 T HA -0.060 4.290 4.350 0.000 0.000 0.256 318 T C 0.600 175.352 174.700 0.087 0.000 1.131 318 T CA -0.304 61.834 62.100 0.065 0.000 1.074 318 T CB -0.507 68.380 68.868 0.031 0.000 0.944 318 T HN 0.175 nan 8.240 nan 0.000 0.516 319 D N 2.849 123.310 120.400 0.101 0.000 2.487 319 D HA 0.100 4.740 4.640 0.000 0.000 0.243 319 D C -1.323 175.043 176.300 0.111 0.000 1.154 319 D CA -1.561 52.520 54.000 0.134 0.000 0.876 319 D CB 0.925 41.815 40.800 0.149 0.000 1.161 319 D HN -0.039 nan 8.370 nan 0.000 0.478 320 P HA -0.333 nan 4.420 nan 0.000 0.222 320 P C 0.752 177.976 177.300 -0.127 0.000 1.155 320 P CA 2.347 65.407 63.100 -0.067 0.000 0.890 320 P CB 0.057 31.647 31.700 -0.182 0.000 0.790 321 A N -0.561 122.149 122.820 -0.183 0.000 1.841 321 A HA -0.105 4.215 4.320 0.000 0.000 0.214 321 A C 0.012 177.671 177.584 0.125 0.000 1.195 321 A CA 2.289 54.303 52.037 -0.039 0.000 0.611 321 A CB -2.196 16.940 19.000 0.225 0.000 0.835 321 A HN 0.232 nan 8.150 nan 0.000 0.443 322 P HA -0.096 nan 4.420 nan 0.000 0.217 322 P C 1.579 179.071 177.300 0.320 0.000 1.151 322 P CA 1.895 65.128 63.100 0.221 0.000 0.828 322 P CB -0.179 31.661 31.700 0.234 0.000 0.788 323 A N 0.118 123.123 122.820 0.307 0.000 1.908 323 A HA -0.148 4.172 4.320 0.000 0.000 0.218 323 A C 2.280 180.049 177.584 0.309 0.000 1.181 323 A CA 2.388 54.637 52.037 0.354 0.000 0.627 323 A CB -1.954 17.153 19.000 0.179 0.000 0.818 323 A HN 0.205 nan 8.150 nan 0.000 0.445 324 T N -0.556 114.120 114.554 0.203 0.000 3.035 324 T HA -0.033 4.317 4.350 0.000 0.000 0.268 324 T C 1.728 176.594 174.700 0.277 0.000 1.109 324 T CA 1.605 63.817 62.100 0.188 0.000 1.119 324 T CB -0.222 68.719 68.868 0.122 0.000 0.900 324 T HN 0.555 nan 8.240 nan 0.000 0.503 325 T N 1.332 116.052 114.554 0.276 0.000 2.978 325 T HA 0.129 4.479 4.350 0.000 0.000 0.262 325 T C 1.461 176.351 174.700 0.317 0.000 1.063 325 T CA 0.318 62.580 62.100 0.271 0.000 1.140 325 T CB -0.333 68.599 68.868 0.106 0.000 0.886 325 T HN 0.266 nan 8.240 nan 0.000 0.470 326 F N 2.312 122.433 119.950 0.285 0.000 2.063 326 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 326 F C 2.637 178.491 175.800 0.091 0.000 1.109 326 F CA 1.327 59.414 58.000 0.144 0.000 1.212 326 F CB -0.709 38.260 39.000 -0.051 0.000 0.973 326 F HN 0.141 nan 8.300 nan 0.000 0.480 327 A N -1.812 121.138 122.820 0.216 0.000 2.216 327 A HA -0.146 4.174 4.320 0.000 0.000 0.214 327 A C 1.514 179.064 177.584 -0.056 0.000 1.160 327 A CA 1.014 53.071 52.037 0.034 0.000 0.725 327 A CB -0.988 17.975 19.000 -0.063 0.000 0.784 327 A HN 0.486 nan 8.150 nan 0.000 0.472 328 H N -1.140 117.989 119.070 0.098 0.000 2.533 328 H HA 0.360 4.916 4.556 0.000 0.000 0.271 328 H C -0.509 174.843 175.328 0.040 0.000 1.000 328 H CA 0.404 56.485 56.048 0.054 0.000 1.149 328 H CB 0.068 29.849 29.762 0.033 0.000 1.375 328 H HN 0.309 nan 8.280 nan 0.000 0.582 329 L N 0.456 121.765 121.223 0.144 0.000 2.410 329 L HA 0.174 4.514 4.340 0.000 0.000 0.270 329 L C 0.579 177.497 176.870 0.080 0.000 0.983 329 L CA -0.586 54.320 54.840 0.110 0.000 0.822 329 L CB 2.561 44.711 42.059 0.152 0.000 1.285 329 L HN -0.117 nan 8.230 nan 0.000 0.409 330 D N 1.971 122.398 120.400 0.045 0.000 2.194 330 D HA 0.092 4.732 4.640 0.000 0.000 0.204 330 D C 0.436 176.772 176.300 0.060 0.000 0.964 330 D CA 0.776 54.801 54.000 0.042 0.000 0.846 330 D CB 0.661 41.473 40.800 0.021 0.000 0.962 330 D HN 0.492 nan 8.370 nan 0.000 0.490 331 A N 0.456 123.308 122.820 0.055 0.000 2.437 331 A HA 0.517 4.837 4.320 0.000 0.000 0.293 331 A C -0.473 177.171 177.584 0.100 0.000 1.038 331 A CA -0.700 51.397 52.037 0.101 0.000 0.708 331 A CB 1.295 20.393 19.000 0.165 0.000 1.251 331 A HN -0.020 nan 8.150 nan 0.000 0.409 332 T N -0.144 114.499 114.554 0.149 0.000 2.779 332 T HA 0.661 5.011 4.350 0.000 0.000 0.280 332 T C -0.245 174.558 174.700 0.172 0.000 0.987 332 T CA -0.478 61.725 62.100 0.171 0.000 0.966 332 T CB 1.137 70.092 68.868 0.144 0.000 0.933 332 T HN 0.453 nan 8.240 nan 0.000 0.442 333 T N 3.326 117.988 114.554 0.179 0.000 2.743 333 T HA 0.468 4.818 4.350 0.000 0.000 0.292 333 T C -0.007 174.751 174.700 0.097 0.000 0.972 333 T CA -0.581 61.584 62.100 0.107 0.000 0.967 333 T CB 0.757 69.625 68.868 0.000 0.000 0.926 333 T HN 0.613 nan 8.240 nan 0.000 0.459 334 V N 5.769 125.728 119.914 0.074 0.000 2.350 334 V HA 0.362 4.482 4.120 0.000 0.000 0.276 334 V C 0.254 176.379 176.094 0.051 0.000 1.028 334 V CA -0.815 61.538 62.300 0.088 0.000 0.860 334 V CB 0.802 32.661 31.823 0.060 0.000 0.990 334 V HN 0.759 nan 8.190 nan 0.000 0.453 335 L N 3.800 125.055 121.223 0.053 0.000 2.399 335 L HA 0.616 4.956 4.340 0.000 0.000 0.266 335 L C 0.445 177.337 176.870 0.037 0.000 1.114 335 L CA 0.148 55.013 54.840 0.040 0.000 0.804 335 L CB 1.688 43.777 42.059 0.049 0.000 1.146 335 L HN 0.723 nan 8.230 nan 0.000 0.451 336 S N 1.408 117.122 115.700 0.023 0.000 2.571 336 S HA 0.348 4.819 4.470 0.000 0.000 0.284 336 S C 0.460 175.056 174.600 -0.007 0.000 1.128 336 S CA -0.808 57.396 58.200 0.007 0.000 0.970 336 S CB 1.940 65.140 63.200 0.001 0.000 1.039 336 S HN 0.707 nan 8.310 nan 0.000 0.485 337 R N 3.210 123.707 120.500 -0.004 0.000 2.075 337 R HA 0.019 4.359 4.340 0.000 0.000 0.232 337 R C 2.175 178.461 176.300 -0.022 0.000 1.126 337 R CA 2.007 58.103 56.100 -0.006 0.000 0.963 337 R CB -1.077 29.224 30.300 0.001 0.000 0.858 337 R HN 0.856 nan 8.270 nan 0.000 0.435 338 G N 1.557 110.344 108.800 -0.021 0.000 2.469 338 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 338 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 338 G C 1.346 176.223 174.900 -0.038 0.000 1.150 338 G CA 0.946 46.031 45.100 -0.025 0.000 0.763 338 G HN 0.225 nan 8.290 nan 0.000 0.561 339 I N 2.039 122.582 120.570 -0.045 0.000 2.286 339 I HA -0.122 4.048 4.170 0.000 0.000 0.245 339 I C 3.132 179.157 176.117 -0.154 0.000 1.104 339 I CA 1.712 62.973 61.300 -0.065 0.000 1.397 339 I CB -1.284 36.690 38.000 -0.044 0.000 1.072 339 I HN 0.377 nan 8.210 nan 0.000 0.417 340 S N 0.831 116.410 115.700 -0.202 0.000 2.383 340 S HA -0.170 4.300 4.470 0.000 0.000 0.227 340 S C 1.749 176.215 174.600 -0.224 0.000 1.026 340 S CA 0.957 58.919 58.200 -0.396 0.000 0.981 340 S CB -0.615 62.438 63.200 -0.246 0.000 0.818 340 S HN 0.481 nan 8.310 nan 0.000 0.472 341 E N 1.078 121.222 120.200 -0.093 0.000 2.265 341 E HA 0.014 4.364 4.350 0.000 0.000 0.196 341 E C 1.658 178.236 176.600 -0.036 0.000 0.996 341 E CA 0.954 57.333 56.400 -0.036 0.000 0.832 341 E CB -0.348 29.342 29.700 -0.017 0.000 0.756 341 E HN 0.580 nan 8.360 nan 0.000 0.491 342 L N -0.752 120.437 121.223 -0.057 0.000 2.554 342 L HA 0.108 4.448 4.340 0.000 0.000 0.226 342 L C 1.435 178.282 176.870 -0.038 0.000 1.137 342 L CA 0.446 55.262 54.840 -0.040 0.000 0.863 342 L CB 0.011 42.055 42.059 -0.025 0.000 0.985 342 L HN 0.280 nan 8.230 nan 0.000 0.451 343 G N 0.438 109.206 108.800 -0.052 0.000 2.141 343 G HA2 -0.217 3.743 3.960 0.000 0.000 0.231 343 G HA3 -0.217 3.743 3.960 0.000 0.000 0.231 343 G C 0.193 175.172 174.900 0.131 0.000 0.984 343 G CA -0.482 44.651 45.100 0.056 0.000 0.660 343 G HN 0.154 nan 8.290 nan 0.000 0.525 344 I N 1.195 121.727 120.570 -0.062 0.000 2.301 344 I HA 0.459 4.629 4.170 0.000 0.000 0.292 344 I C -0.086 175.861 176.117 -0.284 0.000 1.046 344 I CA -0.667 60.636 61.300 0.005 0.000 1.282 344 I CB -0.127 37.890 38.000 0.028 0.000 1.409 344 I HN 0.044 nan 8.210 nan 0.000 0.484 345 Y N 7.135 127.448 120.300 0.021 0.000 2.446 345 Y HA 0.449 5.000 4.550 0.000 0.000 0.345 345 Y C -2.073 173.689 175.900 -0.230 0.000 0.984 345 Y CA -2.640 55.404 58.100 -0.095 0.000 1.058 345 Y CB 1.740 40.113 38.460 -0.144 0.000 1.220 345 Y HN 0.406 nan 8.280 nan 0.000 0.455 346 P HA 0.093 nan 4.420 nan 0.000 0.271 346 P C -0.409 176.978 177.300 0.145 0.000 1.216 346 P CA -0.189 62.989 63.100 0.130 0.000 0.776 346 P CB 1.049 32.961 31.700 0.353 0.000 0.881 347 A N 3.562 126.460 122.820 0.130 0.000 2.478 347 A HA 0.152 4.473 4.320 0.000 0.000 0.239 347 A C 0.566 178.180 177.584 0.051 0.000 1.480 347 A CA -0.193 51.841 52.037 -0.006 0.000 1.308 347 A CB -1.315 17.646 19.000 -0.066 0.000 0.899 347 A HN 0.386 nan 8.150 nan 0.000 0.600 348 V N 1.403 121.374 119.914 0.096 0.000 2.521 348 V HA 0.005 4.125 4.120 0.000 0.000 0.286 348 V C 0.504 176.627 176.094 0.048 0.000 1.034 348 V CA -0.363 61.984 62.300 0.079 0.000 1.045 348 V CB 0.882 32.777 31.823 0.121 0.000 0.974 348 V HN 0.594 nan 8.190 nan 0.000 0.480 349 D N 8.552 128.971 120.400 0.033 0.000 2.346 349 D HA 0.107 4.747 4.640 0.000 0.000 0.260 349 D C -1.168 175.145 176.300 0.021 0.000 1.252 349 D CA -1.848 52.165 54.000 0.022 0.000 0.895 349 D CB 1.661 42.469 40.800 0.013 0.000 1.097 349 D HN 0.297 nan 8.370 nan 0.000 0.489 350 P HA -0.056 nan 4.420 nan 0.000 0.230 350 P C 1.360 178.657 177.300 -0.004 0.000 1.158 350 P CA 0.542 63.647 63.100 0.009 0.000 0.769 350 P CB 0.519 32.227 31.700 0.013 0.000 0.807 351 L N -0.888 120.334 121.223 -0.003 0.000 2.316 351 L HA 0.132 4.472 4.340 0.000 0.000 0.207 351 L C 2.142 178.997 176.870 -0.025 0.000 1.070 351 L CA 0.810 55.641 54.840 -0.015 0.000 0.820 351 L CB -0.605 41.446 42.059 -0.014 0.000 0.992 351 L HN -0.130 nan 8.230 nan 0.000 0.466 352 D N -0.139 120.247 120.400 -0.022 0.000 2.347 352 D HA -0.010 4.630 4.640 0.000 0.000 0.213 352 D C 0.525 176.813 176.300 -0.021 0.000 0.985 352 D CA 0.261 54.238 54.000 -0.038 0.000 0.879 352 D CB 0.338 41.114 40.800 -0.039 0.000 0.919 352 D HN 0.031 nan 8.370 nan 0.000 0.526 353 S N 0.381 116.085 115.700 0.008 0.000 2.545 353 S HA 0.393 4.863 4.470 0.000 0.000 0.275 353 S C 0.103 174.726 174.600 0.037 0.000 1.299 353 S CA -0.377 57.846 58.200 0.039 0.000 1.048 353 S CB 1.762 64.997 63.200 0.058 0.000 0.938 353 S HN 0.023 nan 8.310 nan 0.000 0.496 354 K N 0.944 121.381 120.400 0.063 0.000 2.512 354 K HA 0.663 4.983 4.320 0.000 0.000 0.263 354 K C -1.128 175.527 176.600 0.091 0.000 0.966 354 K CA -0.723 55.596 56.287 0.054 0.000 0.851 354 K CB 2.190 34.704 32.500 0.024 0.000 1.395 354 K HN 0.517 nan 8.250 nan 0.000 0.440 355 S N 0.465 116.212 115.700 0.079 0.000 2.592 355 S HA 0.204 4.674 4.470 0.000 0.000 0.275 355 S C 0.331 174.972 174.600 0.069 0.000 1.169 355 S CA -0.639 57.618 58.200 0.096 0.000 0.958 355 S CB 1.574 64.845 63.200 0.119 0.000 1.095 355 S HN 0.754 nan 8.310 nan 0.000 0.471 356 R N 3.055 123.592 120.500 0.063 0.000 2.153 356 R HA -0.082 4.258 4.340 0.000 0.000 0.252 356 R C 1.432 177.758 176.300 0.043 0.000 1.158 356 R CA 1.931 58.060 56.100 0.047 0.000 0.975 356 R CB -0.353 29.972 30.300 0.042 0.000 0.871 356 R HN 0.766 nan 8.270 nan 0.000 0.450 357 L N 0.745 121.996 121.223 0.047 0.000 2.551 357 L HA -0.063 4.277 4.340 0.000 0.000 0.228 357 L C 0.679 177.559 176.870 0.018 0.000 1.153 357 L CA -0.011 54.846 54.840 0.028 0.000 0.851 357 L CB -0.153 41.925 42.059 0.030 0.000 0.959 357 L HN 0.179 nan 8.230 nan 0.000 0.451 358 L N 1.409 122.661 121.223 0.047 0.000 2.395 358 L HA 0.238 4.578 4.340 0.000 0.000 0.268 358 L C -0.635 176.357 176.870 0.203 0.000 1.223 358 L CA 0.434 55.322 54.840 0.079 0.000 1.093 358 L CB -0.308 41.787 42.059 0.060 0.000 1.349 358 L HN -0.039 nan 8.230 nan 0.000 0.427 359 D N 2.185 122.666 120.400 0.136 0.000 2.990 359 D HA 0.365 5.005 4.640 0.000 0.000 0.227 359 D C 0.652 176.889 176.300 -0.105 0.000 1.249 359 D CA 0.119 54.121 54.000 0.003 0.000 0.891 359 D CB 2.195 42.980 40.800 -0.025 0.000 1.647 359 D HN 0.315 nan 8.370 nan 0.000 0.530 360 A N 3.256 125.839 122.820 -0.394 0.000 1.940 360 A HA -0.031 4.289 4.320 0.000 0.000 0.219 360 A C 2.053 179.560 177.584 -0.129 0.000 1.176 360 A CA 2.221 54.096 52.037 -0.271 0.000 0.631 360 A CB -0.721 18.037 19.000 -0.403 0.000 0.814 360 A HN 0.718 nan 8.150 nan 0.000 0.446 361 A N -1.055 121.686 122.820 -0.131 0.000 2.084 361 A HA 0.056 4.376 4.320 0.000 0.000 0.221 361 A C 2.001 179.555 177.584 -0.050 0.000 1.161 361 A CA 2.042 54.033 52.037 -0.076 0.000 0.653 361 A CB -0.420 18.538 19.000 -0.070 0.000 0.802 361 A HN 0.475 nan 8.150 nan 0.000 0.457 362 V N -1.295 118.588 119.914 -0.052 0.000 2.911 362 V HA -0.040 4.080 4.120 0.000 0.000 0.237 362 V C 2.212 178.277 176.094 -0.048 0.000 1.156 362 V CA 1.172 63.449 62.300 -0.040 0.000 1.180 362 V CB 0.190 31.992 31.823 -0.035 0.000 0.932 362 V HN 0.469 nan 8.190 nan 0.000 0.483 363 V N -1.290 118.575 119.914 -0.081 0.000 3.608 363 V HA 0.723 4.843 4.120 0.000 0.000 0.269 363 V C 0.855 176.947 176.094 -0.003 0.000 1.245 363 V CA 0.411 62.631 62.300 -0.133 0.000 1.138 363 V CB -0.644 30.871 31.823 -0.512 0.000 0.841 363 V HN 0.902 nan 8.190 nan 0.000 0.451 364 G N 0.284 109.094 108.800 0.017 0.000 2.619 364 G HA2 -0.152 3.809 3.960 0.000 0.000 0.686 364 G HA3 -0.152 3.809 3.960 0.000 0.000 0.686 364 G C -0.204 174.752 174.900 0.092 0.000 1.256 364 G CA 0.216 45.350 45.100 0.057 0.000 0.826 364 G HN 0.395 nan 8.290 nan 0.000 0.619 365 Q N -0.105 119.740 119.800 0.075 0.000 2.079 365 Q HA -0.009 4.331 4.340 0.000 0.000 0.200 365 Q C 2.414 178.515 176.000 0.168 0.000 0.974 365 Q CA 2.645 58.508 55.803 0.100 0.000 0.840 365 Q CB -0.280 28.491 28.738 0.055 0.000 0.898 365 Q HN 0.795 nan 8.270 nan 0.000 0.430 366 E N -1.065 119.219 120.200 0.140 0.000 2.058 366 E HA -0.295 4.055 4.350 0.000 0.000 0.194 366 E C 1.932 178.638 176.600 0.177 0.000 0.997 366 E CA 1.307 57.789 56.400 0.136 0.000 0.801 366 E CB -0.296 29.466 29.700 0.102 0.000 0.746 366 E HN 0.518 nan 8.360 nan 0.000 0.450 367 H N -0.429 118.696 119.070 0.091 0.000 2.352 367 H HA -0.202 4.354 4.556 0.000 0.000 0.299 367 H C 1.845 177.224 175.328 0.084 0.000 1.097 367 H CA 1.952 58.045 56.048 0.075 0.000 1.311 367 H CB -0.532 29.272 29.762 0.070 0.000 1.377 367 H HN 0.361 nan 8.280 nan 0.000 0.504 368 Y N 1.162 121.587 120.300 0.209 0.000 2.293 368 Y HA -0.129 4.421 4.550 0.000 0.000 0.291 368 Y C 1.800 177.754 175.900 0.090 0.000 1.137 368 Y CA 1.714 59.883 58.100 0.115 0.000 1.202 368 Y CB 0.039 38.525 38.460 0.042 0.000 0.990 368 Y HN 0.162 nan 8.280 nan 0.000 0.537 369 D N -0.805 119.704 120.400 0.181 0.000 2.137 369 D HA -0.141 4.499 4.640 0.000 0.000 0.202 369 D C 2.392 178.701 176.300 0.016 0.000 0.970 369 D CA 1.395 55.452 54.000 0.094 0.000 0.837 369 D CB -0.388 40.491 40.800 0.131 0.000 0.981 369 D HN 0.246 nan 8.370 nan 0.000 0.475 370 V N 1.473 121.409 119.914 0.037 0.000 2.287 370 V HA -0.279 3.841 4.120 0.000 0.000 0.248 370 V C 2.495 178.564 176.094 -0.041 0.000 1.053 370 V CA 1.928 64.237 62.300 0.015 0.000 1.027 370 V CB -0.897 30.934 31.823 0.014 0.000 0.646 370 V HN 0.191 nan 8.190 nan 0.000 0.447 371 A N -0.129 122.649 122.820 -0.071 0.000 1.859 371 A HA -0.272 4.048 4.320 0.000 0.000 0.217 371 A C 2.491 179.978 177.584 -0.162 0.000 1.198 371 A CA 2.638 54.601 52.037 -0.124 0.000 0.629 371 A CB -1.014 17.926 19.000 -0.100 0.000 0.830 371 A HN 0.525 nan 8.150 nan 0.000 0.446 372 S N -0.575 114.980 115.700 -0.242 0.000 2.365 372 S HA -0.210 4.260 4.470 0.000 0.000 0.225 372 S C 2.034 176.581 174.600 -0.088 0.000 1.039 372 S CA 1.802 59.882 58.200 -0.201 0.000 1.033 372 S CB -0.283 62.784 63.200 -0.222 0.000 0.887 372 S HN 0.632 nan 8.310 nan 0.000 0.447 373 K N 0.751 121.121 120.400 -0.050 0.000 2.103 373 K HA -0.008 4.312 4.320 0.000 0.000 0.204 373 K C 2.003 178.607 176.600 0.006 0.000 1.052 373 K CA 0.797 57.080 56.287 -0.007 0.000 0.945 373 K CB -0.166 32.344 32.500 0.017 0.000 0.722 373 K HN 0.156 nan 8.250 nan 0.000 0.443 374 V N 1.702 121.616 119.914 -0.000 0.000 2.287 374 V HA -0.295 3.825 4.120 0.000 0.000 0.248 374 V C 2.249 178.344 176.094 0.001 0.000 1.053 374 V CA 1.824 64.135 62.300 0.018 0.000 1.027 374 V CB -0.458 31.347 31.823 -0.031 0.000 0.646 374 V HN 0.427 nan 8.190 nan 0.000 0.447 375 Q N -0.651 119.130 119.800 -0.032 0.000 2.170 375 Q HA -0.241 4.099 4.340 0.000 0.000 0.203 375 Q C 2.269 178.267 176.000 -0.004 0.000 0.976 375 Q CA 1.655 57.443 55.803 -0.025 0.000 0.858 375 Q CB -0.147 28.560 28.738 -0.052 0.000 0.907 375 Q HN 0.701 nan 8.270 nan 0.000 0.433 376 E N -0.313 119.885 120.200 -0.005 0.000 2.107 376 E HA -0.116 4.234 4.350 0.000 0.000 0.191 376 E C 1.945 178.560 176.600 0.026 0.000 0.982 376 E CA 1.400 57.805 56.400 0.008 0.000 0.809 376 E CB 0.163 29.866 29.700 0.004 0.000 0.756 376 E HN 0.305 nan 8.360 nan 0.000 0.459 377 T N 1.498 116.070 114.554 0.030 0.000 2.708 377 T HA -0.122 4.228 4.350 0.000 0.000 0.266 377 T C 1.963 176.704 174.700 0.069 0.000 1.037 377 T CA 0.774 62.897 62.100 0.039 0.000 1.146 377 T CB -0.186 68.700 68.868 0.030 0.000 0.865 377 T HN 0.084 nan 8.240 nan 0.000 0.435 378 L N 0.675 121.940 121.223 0.070 0.000 2.046 378 L HA -0.136 4.204 4.340 0.000 0.000 0.208 378 L C 2.908 179.849 176.870 0.119 0.000 1.077 378 L CA 1.286 56.193 54.840 0.112 0.000 0.747 378 L CB -0.461 41.647 42.059 0.080 0.000 0.896 378 L HN 0.240 nan 8.230 nan 0.000 0.432 379 Q N -0.153 119.686 119.800 0.064 0.000 2.079 379 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 379 Q C 2.009 178.036 176.000 0.046 0.000 0.974 379 Q CA 2.226 58.052 55.803 0.039 0.000 0.840 379 Q CB -0.321 28.425 28.738 0.014 0.000 0.898 379 Q HN 0.341 nan 8.270 nan 0.000 0.430 380 T N 0.092 114.683 114.554 0.062 0.000 2.737 380 T HA -0.205 4.145 4.350 0.000 0.000 0.269 380 T C 1.246 176.011 174.700 0.108 0.000 1.040 380 T CA 1.575 63.715 62.100 0.066 0.000 1.142 380 T CB -0.585 68.322 68.868 0.065 0.000 0.861 380 T HN 0.431 nan 8.240 nan 0.000 0.456 381 Y N 1.822 122.119 120.300 -0.005 0.000 2.220 381 Y HA 0.046 4.596 4.550 0.000 0.000 0.291 381 Y C 2.391 178.286 175.900 -0.007 0.000 1.129 381 Y CA 1.036 59.133 58.100 -0.006 0.000 1.161 381 Y CB -0.329 38.129 38.460 -0.004 0.000 0.997 381 Y HN 0.016 nan 8.280 nan 0.000 0.522 382 K N -0.541 119.808 120.400 -0.086 0.000 2.063 382 K HA -0.167 4.153 4.320 0.000 0.000 0.208 382 K C 2.338 178.862 176.600 -0.127 0.000 1.048 382 K CA 1.607 57.794 56.287 -0.167 0.000 0.928 382 K CB -0.235 32.222 32.500 -0.072 0.000 0.713 382 K HN 0.260 nan 8.250 nan 0.000 0.442 383 S N 0.974 116.640 115.700 -0.057 0.000 2.359 383 S HA -0.089 4.381 4.470 0.000 0.000 0.224 383 S C 1.643 176.215 174.600 -0.048 0.000 1.035 383 S CA 1.116 59.292 58.200 -0.040 0.000 1.018 383 S CB -0.097 63.096 63.200 -0.011 0.000 0.876 383 S HN 0.271 nan 8.310 nan 0.000 0.448 384 L N 1.054 122.252 121.223 -0.041 0.000 2.599 384 L HA 0.099 4.439 4.340 0.000 0.000 0.230 384 L C 2.259 179.087 176.870 -0.069 0.000 1.141 384 L CA 0.291 55.114 54.840 -0.027 0.000 0.877 384 L CB -0.322 41.754 42.059 0.029 0.000 1.009 384 L HN 0.303 nan 8.230 nan 0.000 0.447 385 Q N 0.099 119.808 119.800 -0.152 0.000 2.291 385 Q HA -0.196 4.144 4.340 0.000 0.000 0.206 385 Q C 1.203 177.142 176.000 -0.101 0.000 0.976 385 Q CA 1.260 56.953 55.803 -0.184 0.000 0.875 385 Q CB 0.158 28.720 28.738 -0.293 0.000 0.927 385 Q HN 0.503 nan 8.270 nan 0.000 0.450 386 D N -0.179 120.176 120.400 -0.074 0.000 2.234 386 D HA -0.070 4.570 4.640 0.000 0.000 0.205 386 D C 1.440 177.720 176.300 -0.032 0.000 0.962 386 D CA 0.675 54.646 54.000 -0.049 0.000 0.855 386 D CB 0.053 40.827 40.800 -0.042 0.000 0.951 386 D HN 0.210 nan 8.370 nan 0.000 0.500 387 I N 1.049 121.603 120.570 -0.026 0.000 2.315 387 I HA -0.168 4.002 4.170 0.000 0.000 0.248 387 I C 2.237 178.348 176.117 -0.009 0.000 1.117 387 I CA 0.645 61.937 61.300 -0.013 0.000 1.404 387 I CB -0.098 37.899 38.000 -0.005 0.000 1.071 387 I HN -0.016 nan 8.210 nan 0.000 0.419 388 I N 0.594 121.157 120.570 -0.012 0.000 2.202 388 I HA -0.235 3.935 4.170 0.000 0.000 0.242 388 I C 2.726 178.838 176.117 -0.008 0.000 1.091 388 I CA 1.535 62.834 61.300 -0.001 0.000 1.368 388 I CB -1.446 36.558 38.000 0.007 0.000 1.058 388 I HN 0.178 nan 8.210 nan 0.000 0.410 389 A N 0.690 123.497 122.820 -0.021 0.000 1.978 389 A HA -0.159 4.161 4.320 0.000 0.000 0.220 389 A C 2.196 179.772 177.584 -0.013 0.000 1.170 389 A CA 1.809 53.834 52.037 -0.020 0.000 0.636 389 A CB -0.451 18.530 19.000 -0.030 0.000 0.810 389 A HN 0.377 nan 8.150 nan 0.000 0.448 390 I N -2.013 118.550 120.570 -0.012 0.000 3.300 390 I HA 0.126 4.296 4.170 0.000 0.000 0.279 390 I C 1.768 177.882 176.117 -0.005 0.000 1.172 390 I CA 0.769 62.064 61.300 -0.009 0.000 1.431 390 I CB 0.112 38.105 38.000 -0.011 0.000 1.240 390 I HN 0.159 nan 8.210 nan 0.000 0.453 391 L N -0.415 120.805 121.223 -0.004 0.000 2.664 391 L HA 0.476 4.816 4.340 0.000 0.000 0.233 391 L C 0.863 177.734 176.870 0.002 0.000 1.113 391 L CA 0.110 54.950 54.840 -0.001 0.000 0.896 391 L CB -0.312 41.747 42.059 -0.001 0.000 1.163 391 L HN 0.315 nan 8.230 nan 0.000 0.497 392 G N 0.163 108.965 108.800 0.003 0.000 2.846 392 G HA2 -0.355 3.605 3.960 0.000 0.000 0.660 392 G HA3 -0.355 3.605 3.960 0.000 0.000 0.660 392 G C 0.232 175.140 174.900 0.014 0.000 1.464 392 G CA 0.038 45.144 45.100 0.009 0.000 0.891 392 G HN 0.034 nan 8.290 nan 0.000 0.552 393 M N 0.180 119.792 119.600 0.019 0.000 2.260 393 M HA -0.046 4.434 4.480 0.000 0.000 0.261 393 M C 1.821 178.132 176.300 0.017 0.000 1.066 393 M CA 2.706 58.020 55.300 0.024 0.000 1.082 393 M CB -0.567 32.048 32.600 0.026 0.000 1.388 393 M HN 0.731 nan 8.290 nan 0.000 0.419 394 D N -0.587 119.820 120.400 0.012 0.000 2.218 394 D HA -0.184 4.456 4.640 0.000 0.000 0.204 394 D C 1.753 178.058 176.300 0.009 0.000 0.976 394 D CA 1.074 55.079 54.000 0.009 0.000 0.853 394 D CB 0.002 40.806 40.800 0.007 0.000 0.939 394 D HN 0.399 nan 8.370 nan 0.000 0.481 395 E N -0.674 119.531 120.200 0.009 0.000 2.435 395 E HA 0.063 4.413 4.350 0.000 0.000 0.195 395 E C 0.197 176.803 176.600 0.009 0.000 1.029 395 E CA -0.094 56.311 56.400 0.008 0.000 0.865 395 E CB 0.037 29.741 29.700 0.006 0.000 0.833 395 E HN 0.180 nan 8.360 nan 0.000 0.510 396 L N 0.718 121.949 121.223 0.013 0.000 2.452 396 L HA 0.128 4.468 4.340 0.000 0.000 0.267 396 L C 0.916 177.793 176.870 0.012 0.000 1.188 396 L CA 0.324 55.174 54.840 0.016 0.000 0.821 396 L CB 0.728 42.801 42.059 0.024 0.000 1.102 396 L HN 0.043 nan 8.230 nan 0.000 0.470 397 S N 0.857 116.565 115.700 0.012 0.000 2.596 397 S HA 0.021 4.491 4.470 0.000 0.000 0.260 397 S C 1.290 175.895 174.600 0.009 0.000 1.336 397 S CA -0.367 57.839 58.200 0.010 0.000 0.993 397 S CB 0.590 63.796 63.200 0.010 0.000 0.923 397 S HN 0.572 nan 8.310 nan 0.000 0.567 398 E N 1.248 121.452 120.200 0.007 0.000 2.031 398 E HA -0.187 4.163 4.350 0.000 0.000 0.193 398 E C 1.928 178.531 176.600 0.005 0.000 0.994 398 E CA 1.272 57.675 56.400 0.005 0.000 0.800 398 E CB -0.405 29.297 29.700 0.003 0.000 0.752 398 E HN 0.756 nan 8.360 nan 0.000 0.447 399 Q N 0.300 120.103 119.800 0.006 0.000 2.230 399 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 399 Q C 1.349 177.354 176.000 0.009 0.000 0.963 399 Q CA 0.853 56.659 55.803 0.006 0.000 0.866 399 Q CB 0.223 28.966 28.738 0.007 0.000 0.931 399 Q HN 0.167 nan 8.270 nan 0.000 0.452 400 D N 0.467 120.875 120.400 0.013 0.000 2.123 400 D HA -0.096 4.544 4.640 0.000 0.000 0.200 400 D C 1.640 177.952 176.300 0.021 0.000 0.976 400 D CA 0.913 54.926 54.000 0.021 0.000 0.831 400 D CB 0.146 40.961 40.800 0.024 0.000 0.974 400 D HN 0.196 nan 8.370 nan 0.000 0.469 401 K N 0.332 120.741 120.400 0.014 0.000 2.063 401 K HA -0.160 4.160 4.320 0.000 0.000 0.208 401 K C 2.065 178.662 176.600 -0.005 0.000 1.048 401 K CA 0.601 56.893 56.287 0.009 0.000 0.928 401 K CB -0.163 32.341 32.500 0.006 0.000 0.713 401 K HN 0.023 nan 8.250 nan 0.000 0.442 402 L N 1.112 122.330 121.223 -0.007 0.000 2.093 402 L HA -0.144 4.197 4.340 0.000 0.000 0.208 402 L C 1.996 178.849 176.870 -0.029 0.000 1.085 402 L CA 1.865 56.694 54.840 -0.018 0.000 0.755 402 L CB -0.604 41.448 42.059 -0.011 0.000 0.904 402 L HN 0.116 nan 8.230 nan 0.000 0.435 403 T N -1.444 113.100 114.554 -0.016 0.000 2.777 403 T HA -0.134 4.216 4.350 0.000 0.000 0.266 403 T C 1.956 176.624 174.700 -0.054 0.000 1.040 403 T CA 1.531 63.620 62.100 -0.018 0.000 1.141 403 T CB -0.262 68.613 68.868 0.011 0.000 0.868 403 T HN 0.177 nan 8.240 nan 0.000 0.444 404 V N 1.423 121.312 119.914 -0.042 0.000 2.358 404 V HA -0.138 3.982 4.120 0.000 0.000 0.246 404 V C 2.458 178.412 176.094 -0.232 0.000 1.047 404 V CA 1.590 63.825 62.300 -0.108 0.000 1.035 404 V CB -0.548 31.298 31.823 0.037 0.000 0.658 404 V HN 0.522 nan 8.190 nan 0.000 0.452 405 E N -0.251 119.868 120.200 -0.135 0.000 2.110 405 E HA -0.187 4.164 4.350 0.000 0.000 0.193 405 E C 2.498 178.986 176.600 -0.187 0.000 0.988 405 E CA 0.958 57.274 56.400 -0.140 0.000 0.804 405 E CB -0.121 29.533 29.700 -0.077 0.000 0.745 405 E HN 0.496 nan 8.360 nan 0.000 0.458 406 R N 0.122 120.524 120.500 -0.163 0.000 2.115 406 R HA -0.016 4.324 4.340 0.000 0.000 0.226 406 R C 2.312 178.485 176.300 -0.212 0.000 1.100 406 R CA 0.869 56.863 56.100 -0.176 0.000 0.980 406 R CB -0.136 30.106 30.300 -0.097 0.000 0.875 406 R HN 0.084 nan 8.270 nan 0.000 0.445 407 A N 1.305 123.980 122.820 -0.241 0.000 1.877 407 A HA -0.166 4.154 4.320 0.000 0.000 0.216 407 A C 2.087 179.453 177.584 -0.364 0.000 1.186 407 A CA 1.131 52.998 52.037 -0.282 0.000 0.620 407 A CB -0.342 18.428 19.000 -0.383 0.000 0.822 407 A HN 0.201 nan 8.150 nan 0.000 0.443 408 R N -0.178 120.026 120.500 -0.493 0.000 2.091 408 R HA -0.139 4.202 4.340 0.000 0.000 0.238 408 R C 2.233 178.395 176.300 -0.230 0.000 1.136 408 R CA 1.789 57.671 56.100 -0.364 0.000 0.959 408 R CB -0.294 29.821 30.300 -0.309 0.000 0.856 408 R HN 0.530 nan 8.270 nan 0.000 0.437 409 K N 0.413 120.610 120.400 -0.337 0.000 2.026 409 K HA -0.127 4.193 4.320 0.000 0.000 0.208 409 K C 2.089 178.461 176.600 -0.381 0.000 1.048 409 K CA 1.402 57.334 56.287 -0.592 0.000 0.929 409 K CB -0.193 31.646 32.500 -1.101 0.000 0.713 409 K HN 0.140 nan 8.250 nan 0.000 0.439 410 I N 1.390 121.839 120.570 -0.202 0.000 2.179 410 I HA -0.324 3.846 4.170 0.000 0.000 0.242 410 I C 2.586 178.812 176.117 0.181 0.000 1.088 410 I CA 1.350 62.702 61.300 0.086 0.000 1.357 410 I CB -0.253 37.834 38.000 0.145 0.000 1.051 410 I HN 0.249 nan 8.210 nan 0.000 0.409 411 Q N 0.281 120.130 119.800 0.081 0.000 2.077 411 Q HA -0.274 4.066 4.340 0.000 0.000 0.206 411 Q C 2.409 178.512 176.000 0.171 0.000 0.989 411 Q CA 1.884 57.758 55.803 0.118 0.000 0.853 411 Q CB -0.113 28.677 28.738 0.088 0.000 0.907 411 Q HN 0.451 nan 8.270 nan 0.000 0.418 412 R N -0.791 119.814 120.500 0.175 0.000 2.073 412 R HA -0.078 4.262 4.340 0.000 0.000 0.229 412 R C 2.062 178.578 176.300 0.359 0.000 1.120 412 R CA 0.851 57.119 56.100 0.281 0.000 0.967 412 R CB -0.229 30.235 30.300 0.272 0.000 0.862 412 R HN 0.172 nan 8.270 nan 0.000 0.436 413 F N 1.411 121.438 119.950 0.129 0.000 2.269 413 F HA -0.077 4.450 4.527 -0.000 0.000 0.301 413 F C 1.539 177.478 175.800 0.232 0.000 1.082 413 F CA 1.140 59.213 58.000 0.122 0.000 1.360 413 F CB -0.196 38.740 39.000 -0.106 0.000 1.041 413 F HN -0.046 nan 8.300 nan 0.000 0.512 414 L N -0.269 121.156 121.223 0.336 0.000 2.376 414 L HA -0.066 4.274 4.340 0.000 0.000 0.219 414 L C 1.365 178.303 176.870 0.113 0.000 1.133 414 L CA 0.469 55.433 54.840 0.206 0.000 0.816 414 L CB -0.816 41.345 42.059 0.169 0.000 0.933 414 L HN 0.102 nan 8.230 nan 0.000 0.449 415 S N -0.321 115.453 115.700 0.124 0.000 2.592 415 S HA 0.331 4.801 4.470 0.000 0.000 0.271 415 S C -0.344 174.243 174.600 -0.022 0.000 1.326 415 S CA -0.511 57.714 58.200 0.041 0.000 1.024 415 S CB 1.843 65.073 63.200 0.052 0.000 0.921 415 S HN 0.276 nan 8.310 nan 0.000 0.527 416 Q N 0.999 120.737 119.800 -0.104 0.000 2.295 416 Q HA 0.399 4.739 4.340 0.000 0.000 0.268 416 Q C -3.065 172.838 176.000 -0.161 0.000 1.010 416 Q CA -2.063 53.690 55.803 -0.084 0.000 0.856 416 Q CB 2.316 31.070 28.738 0.026 0.000 1.349 416 Q HN 0.536 nan 8.270 nan 0.000 0.412 417 P HA 0.142 nan 4.420 nan 0.000 0.276 417 P C -0.889 176.499 177.300 0.147 0.000 1.264 417 P CA -0.020 63.060 63.100 -0.034 0.000 0.769 417 P CB 0.112 31.799 31.700 -0.022 0.000 0.840 418 F N 2.043 121.982 119.950 -0.019 0.000 2.410 418 F HA 0.268 4.795 4.527 0.000 0.000 0.334 418 F C 1.923 177.706 175.800 -0.028 0.000 1.134 418 F CA -1.149 56.830 58.000 -0.036 0.000 1.227 418 F CB -0.221 38.755 39.000 -0.041 0.000 1.194 418 F HN 0.374 nan 8.300 nan 0.000 0.571 419 A N 2.130 125.029 122.820 0.132 0.000 1.930 419 A HA -0.039 4.281 4.320 0.000 0.000 0.217 419 A C 2.030 179.635 177.584 0.036 0.000 1.175 419 A CA 1.464 53.527 52.037 0.043 0.000 0.627 419 A CB -0.795 18.197 19.000 -0.013 0.000 0.815 419 A HN 0.526 nan 8.150 nan 0.000 0.443 420 V N -0.641 119.305 119.914 0.053 0.000 3.041 420 V HA -0.013 4.107 4.120 0.000 0.000 0.260 420 V C 2.381 178.540 176.094 0.108 0.000 1.105 420 V CA 1.349 63.678 62.300 0.048 0.000 1.125 420 V CB -0.350 31.491 31.823 0.030 0.000 0.730 420 V HN 0.564 nan 8.190 nan 0.000 0.479 421 A N -0.855 122.084 122.820 0.198 0.000 2.337 421 A HA 0.090 4.410 4.320 0.000 0.000 0.227 421 A C 1.937 179.584 177.584 0.105 0.000 1.259 421 A CA 0.314 52.522 52.037 0.285 0.000 0.870 421 A CB -0.306 18.863 19.000 0.282 0.000 0.927 421 A HN 0.539 nan 8.150 nan 0.000 0.497 422 E N 0.231 120.429 120.200 -0.004 0.000 2.110 422 E HA -0.167 4.183 4.350 0.000 0.000 0.193 422 E C 1.926 178.458 176.600 -0.114 0.000 0.988 422 E CA 1.749 58.125 56.400 -0.039 0.000 0.804 422 E CB -0.154 29.521 29.700 -0.041 0.000 0.745 422 E HN 0.564 nan 8.360 nan 0.000 0.458 423 V N -1.153 118.599 119.914 -0.270 0.000 2.490 423 V HA -0.216 3.905 4.120 0.000 0.000 0.250 423 V C 1.866 177.748 176.094 -0.352 0.000 1.061 423 V CA 1.464 63.541 62.300 -0.372 0.000 1.064 423 V CB -0.947 30.551 31.823 -0.541 0.000 0.670 423 V HN 0.145 nan 8.190 nan 0.000 0.461 424 F N 2.202 122.134 119.950 -0.031 0.000 2.456 424 F HA 0.096 4.623 4.527 0.000 0.000 0.298 424 F C 2.469 178.252 175.800 -0.029 0.000 1.104 424 F CA 1.326 59.300 58.000 -0.045 0.000 1.435 424 F CB -0.869 38.071 39.000 -0.102 0.000 1.078 424 F HN 0.423 nan 8.300 nan 0.000 0.546 425 T N -5.273 109.347 114.554 0.109 0.000 3.058 425 T HA 0.442 4.792 4.350 0.000 0.000 0.247 425 T C 1.862 176.592 174.700 0.049 0.000 0.987 425 T CA 0.578 62.728 62.100 0.083 0.000 1.062 425 T CB 0.168 69.071 68.868 0.059 0.000 1.048 425 T HN 0.273 nan 8.240 nan 0.000 0.468 426 G N 1.775 110.585 108.800 0.018 0.000 2.159 426 G HA2 -0.189 3.771 3.960 0.000 0.000 0.256 426 G HA3 -0.189 3.771 3.960 0.000 0.000 0.256 426 G C -0.036 174.868 174.900 0.008 0.000 0.977 426 G CA 0.206 45.310 45.100 0.007 0.000 0.652 426 G HN 0.686 nan 8.290 nan 0.000 0.531 427 I N 1.847 122.423 120.570 0.009 0.000 2.336 427 I HA 0.354 4.524 4.170 0.000 0.000 0.292 427 I C -1.998 174.118 176.117 -0.000 0.000 0.991 427 I CA -2.544 58.757 61.300 0.001 0.000 1.227 427 I CB 1.707 39.701 38.000 -0.010 0.000 1.366 427 I HN -0.174 nan 8.210 nan 0.000 0.466 428 P HA 0.049 nan 4.420 nan 0.000 0.265 428 P C 0.178 177.483 177.300 0.008 0.000 1.193 428 P CA -0.127 62.972 63.100 -0.001 0.000 0.765 428 P CB 0.463 32.160 31.700 -0.005 0.000 0.823 429 G N 3.213 112.025 108.800 0.020 0.000 2.491 429 G HA2 0.246 4.206 3.960 0.000 0.000 0.242 429 G HA3 0.246 4.206 3.960 0.000 0.000 0.242 429 G C -0.461 174.460 174.900 0.035 0.000 1.266 429 G CA -0.322 44.805 45.100 0.046 0.000 0.844 429 G HN 0.304 nan 8.290 nan 0.000 0.571 430 K N 0.868 121.301 120.400 0.055 0.000 2.378 430 K HA 0.433 4.753 4.320 0.000 0.000 0.252 430 K C -1.276 175.352 176.600 0.047 0.000 0.931 430 K CA -0.687 55.623 56.287 0.038 0.000 0.794 430 K CB 2.804 35.321 32.500 0.028 0.000 1.181 430 K HN 0.391 nan 8.250 nan 0.000 0.425 431 L N 2.373 123.608 121.223 0.020 0.000 2.362 431 L HA 0.508 4.848 4.340 0.000 0.000 0.275 431 L C -1.351 175.524 176.870 0.008 0.000 0.998 431 L CA -0.846 53.998 54.840 0.007 0.000 0.820 431 L CB 1.727 43.778 42.059 -0.013 0.000 1.270 431 L HN 0.260 nan 8.230 nan 0.000 0.415 432 V N 4.699 124.617 119.914 0.007 0.000 2.483 432 V HA 0.530 4.650 4.120 0.000 0.000 0.297 432 V C -0.252 175.845 176.094 0.005 0.000 1.027 432 V CA -0.938 61.366 62.300 0.008 0.000 0.855 432 V CB 1.539 33.365 31.823 0.005 0.000 0.995 432 V HN 0.677 nan 8.190 nan 0.000 0.424 433 R N 2.803 123.310 120.500 0.011 0.000 2.623 433 R HA 0.128 4.468 4.340 0.000 0.000 0.271 433 R C 1.318 177.627 176.300 0.014 0.000 1.043 433 R CA -0.182 55.926 56.100 0.013 0.000 1.083 433 R CB 0.208 30.519 30.300 0.018 0.000 0.974 433 R HN 0.810 nan 8.270 nan 0.000 0.436 434 L N 3.184 124.418 121.223 0.018 0.000 2.043 434 L HA -0.270 4.070 4.340 0.000 0.000 0.212 434 L C 1.877 178.753 176.870 0.010 0.000 1.075 434 L CA 1.914 56.766 54.840 0.019 0.000 0.752 434 L CB -0.060 42.032 42.059 0.054 0.000 0.891 434 L HN 0.567 nan 8.230 nan 0.000 0.432 435 K N -0.473 119.943 120.400 0.027 0.000 2.097 435 K HA -0.150 4.170 4.320 0.000 0.000 0.205 435 K C 1.720 178.339 176.600 0.031 0.000 1.050 435 K CA 1.510 57.814 56.287 0.029 0.000 0.938 435 K CB -0.198 32.325 32.500 0.038 0.000 0.718 435 K HN 0.458 nan 8.250 nan 0.000 0.442 436 D N 0.184 120.606 120.400 0.036 0.000 2.144 436 D HA -0.102 4.538 4.640 0.000 0.000 0.200 436 D C 1.784 178.128 176.300 0.073 0.000 0.978 436 D CA 1.237 55.268 54.000 0.053 0.000 0.833 436 D CB -0.225 40.603 40.800 0.047 0.000 0.961 436 D HN 0.151 nan 8.370 nan 0.000 0.470 437 T N 0.973 115.556 114.554 0.048 0.000 2.708 437 T HA -0.097 4.253 4.350 0.000 0.000 0.266 437 T C 2.329 177.106 174.700 0.127 0.000 1.037 437 T CA 0.815 62.962 62.100 0.078 0.000 1.146 437 T CB -0.311 68.547 68.868 -0.016 0.000 0.865 437 T HN -0.020 nan 8.240 nan 0.000 0.435 438 V N 1.802 121.710 119.914 -0.010 0.000 2.270 438 V HA -0.151 3.969 4.120 0.000 0.000 0.245 438 V C 2.946 179.090 176.094 0.082 0.000 1.043 438 V CA 1.694 63.963 62.300 -0.052 0.000 1.014 438 V CB -1.355 30.355 31.823 -0.187 0.000 0.645 438 V HN 0.528 nan 8.190 nan 0.000 0.447 439 A N -0.260 122.610 122.820 0.084 0.000 1.892 439 A HA -0.266 4.054 4.320 0.000 0.000 0.218 439 A C 2.496 180.180 177.584 0.166 0.000 1.188 439 A CA 2.553 54.656 52.037 0.111 0.000 0.631 439 A CB -0.905 18.149 19.000 0.090 0.000 0.822 439 A HN 0.502 nan 8.150 nan 0.000 0.447 440 S N -1.081 114.737 115.700 0.196 0.000 2.353 440 S HA -0.140 4.330 4.470 0.000 0.000 0.222 440 S C 1.602 176.360 174.600 0.263 0.000 1.035 440 S CA 1.710 60.053 58.200 0.238 0.000 1.025 440 S CB -0.522 62.858 63.200 0.299 0.000 0.902 440 S HN 0.550 nan 8.310 nan 0.000 0.440 441 F N 1.566 121.646 119.950 0.215 0.000 2.325 441 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 441 F C 2.223 178.104 175.800 0.134 0.000 1.090 441 F CA 0.765 58.883 58.000 0.197 0.000 1.392 441 F CB -0.134 38.912 39.000 0.078 0.000 1.053 441 F HN 0.090 nan 8.300 nan 0.000 0.521 442 K N 0.506 121.066 120.400 0.267 0.000 2.001 442 K HA -0.152 4.168 4.320 0.000 0.000 0.208 442 K C 2.375 179.069 176.600 0.157 0.000 1.048 442 K CA 1.163 57.554 56.287 0.173 0.000 0.932 442 K CB -0.363 32.213 32.500 0.127 0.000 0.715 442 K HN 0.164 nan 8.250 nan 0.000 0.437 443 A N 0.846 123.775 122.820 0.183 0.000 1.903 443 A HA -0.193 4.127 4.320 0.000 0.000 0.219 443 A C 2.263 179.975 177.584 0.213 0.000 1.191 443 A CA 2.143 54.301 52.037 0.203 0.000 0.638 443 A CB -0.966 18.253 19.000 0.366 0.000 0.823 443 A HN 0.206 nan 8.150 nan 0.000 0.451 444 V N -0.119 119.938 119.914 0.238 0.000 2.332 444 V HA -0.263 3.857 4.120 0.000 0.000 0.248 444 V C 2.482 178.634 176.094 0.096 0.000 1.055 444 V CA 2.032 64.433 62.300 0.168 0.000 1.038 444 V CB -0.733 31.107 31.823 0.029 0.000 0.651 444 V HN 0.578 nan 8.190 nan 0.000 0.450 445 L N -0.469 120.819 121.223 0.108 0.000 2.376 445 L HA -0.094 4.246 4.340 0.000 0.000 0.219 445 L C 2.208 179.109 176.870 0.052 0.000 1.133 445 L CA 1.132 56.019 54.840 0.078 0.000 0.816 445 L CB -0.406 41.710 42.059 0.096 0.000 0.933 445 L HN 0.409 nan 8.230 nan 0.000 0.449 446 E N -0.377 119.854 120.200 0.052 0.000 2.474 446 E HA 0.092 4.442 4.350 0.000 0.000 0.194 446 E C 1.255 177.855 176.600 -0.000 0.000 1.041 446 E CA 0.461 56.876 56.400 0.025 0.000 0.874 446 E CB 0.417 30.132 29.700 0.024 0.000 0.914 446 E HN 0.445 nan 8.360 nan 0.000 0.498 447 G N 2.036 110.839 108.800 0.004 0.000 2.132 447 G HA2 -0.319 3.641 3.960 0.000 0.000 0.234 447 G HA3 -0.319 3.641 3.960 0.000 0.000 0.234 447 G C 0.726 175.584 174.900 -0.070 0.000 0.989 447 G CA 0.373 45.463 45.100 -0.017 0.000 0.676 447 G HN 0.196 nan 8.290 nan 0.000 0.522 448 K N -1.017 119.299 120.400 -0.140 0.000 2.439 448 K HA 0.131 4.451 4.320 0.000 0.000 0.197 448 K C 0.300 176.509 176.600 -0.651 0.000 1.041 448 K CA 0.881 56.920 56.287 -0.413 0.000 0.970 448 K CB 0.041 32.207 32.500 -0.556 0.000 0.773 448 K HN 0.582 nan 8.250 nan 0.000 0.479 449 Y N -0.393 119.916 120.300 0.015 0.000 2.577 449 Y HA 0.150 4.700 4.550 -0.000 0.000 0.307 449 Y C 0.131 176.073 175.900 0.070 0.000 0.940 449 Y CA -0.758 57.368 58.100 0.044 0.000 1.132 449 Y CB 0.487 38.998 38.460 0.086 0.000 1.184 449 Y HN -0.067 nan 8.280 nan 0.000 0.611 450 D N 0.267 120.726 120.400 0.098 0.000 2.213 450 D HA -0.116 4.524 4.640 0.000 0.000 0.205 450 D C 1.684 178.025 176.300 0.067 0.000 0.961 450 D CA 1.087 55.124 54.000 0.062 0.000 0.853 450 D CB 0.048 40.856 40.800 0.013 0.000 0.967 450 D HN 0.466 nan 8.370 nan 0.000 0.496 451 N N 0.727 119.464 118.700 0.061 0.000 2.494 451 N HA -0.088 4.652 4.740 0.000 0.000 0.182 451 N C 0.590 176.142 175.510 0.070 0.000 1.076 451 N CA 0.132 53.212 53.050 0.049 0.000 0.908 451 N CB -0.244 38.258 38.487 0.025 0.000 0.967 451 N HN 0.185 nan 8.380 nan 0.000 0.449 452 I N 2.543 123.185 120.570 0.121 0.000 2.441 452 I HA 0.170 4.340 4.170 0.000 0.000 0.287 452 I C -1.875 174.346 176.117 0.173 0.000 1.049 452 I CA -2.059 59.306 61.300 0.109 0.000 1.381 452 I CB 1.090 39.126 38.000 0.060 0.000 1.409 452 I HN -0.029 nan 8.210 nan 0.000 0.523 453 P HA 0.108 nan 4.420 nan 0.000 0.274 453 P C 0.123 177.553 177.300 0.218 0.000 1.246 453 P CA -0.256 62.920 63.100 0.127 0.000 0.795 453 P CB 0.846 32.594 31.700 0.080 0.000 1.006 454 E N 0.185 120.499 120.200 0.190 0.000 2.049 454 E HA -0.288 4.062 4.350 0.000 0.000 0.198 454 E C 1.796 178.576 176.600 0.299 0.000 1.007 454 E CA 1.646 58.182 56.400 0.227 0.000 0.809 454 E CB -0.560 29.203 29.700 0.106 0.000 0.749 454 E HN 0.614 nan 8.360 nan 0.000 0.450 455 H N 0.075 119.215 119.070 0.117 0.000 2.489 455 H HA -0.020 4.537 4.556 0.000 0.000 0.295 455 H C 1.668 177.067 175.328 0.118 0.000 1.082 455 H CA 1.210 57.326 56.048 0.113 0.000 1.295 455 H CB -0.084 29.714 29.762 0.060 0.000 1.380 455 H HN 0.188 nan 8.280 nan 0.000 0.548 456 A N -0.739 122.078 122.820 -0.004 0.000 2.067 456 A HA -0.074 4.246 4.320 0.000 0.000 0.219 456 A C 1.602 178.960 177.584 -0.376 0.000 1.158 456 A CA 1.046 52.942 52.037 -0.235 0.000 0.661 456 A CB -0.730 18.063 19.000 -0.345 0.000 0.801 456 A HN 0.438 nan 8.150 nan 0.000 0.452 457 F N -2.688 117.185 119.950 -0.129 0.000 2.754 457 F HA 0.196 4.723 4.527 0.000 0.000 0.297 457 F C 0.720 176.548 175.800 0.046 0.000 1.122 457 F CA -0.267 57.649 58.000 -0.140 0.000 1.400 457 F CB -0.070 38.824 39.000 -0.177 0.000 1.117 457 F HN 0.274 nan 8.300 nan 0.000 0.587 458 Y N 1.310 121.622 120.300 0.020 0.000 2.377 458 Y HA 0.320 4.871 4.550 0.001 0.000 0.330 458 Y C 0.744 176.620 175.900 -0.040 0.000 1.108 458 Y CA -1.642 56.456 58.100 -0.003 0.000 1.308 458 Y CB 0.421 38.839 38.460 -0.070 0.000 1.216 458 Y HN 0.159 nan 8.280 nan 0.000 0.518 459 M N 4.986 124.282 119.600 -0.505 0.000 2.253 459 M HA -0.166 4.314 4.480 0.000 0.000 0.195 459 M C -1.588 174.580 176.300 -0.220 0.000 0.512 459 M CA 1.272 56.259 55.300 -0.521 0.000 0.442 459 M CB -1.451 30.617 32.600 -0.886 0.000 1.189 459 M HN 0.492 nan 8.290 nan 0.000 0.923 460 V N -2.980 116.888 119.914 -0.078 0.000 3.105 460 V HA 1.110 5.230 4.120 0.000 0.000 0.311 460 V C 0.837 176.955 176.094 0.039 0.000 1.282 460 V CA -0.286 62.003 62.300 -0.020 0.000 1.065 460 V CB 1.214 33.024 31.823 -0.022 0.000 1.136 460 V HN 0.449 nan 8.190 nan 0.000 0.469 461 G N -0.491 108.337 108.800 0.047 0.000 3.286 461 G HA2 0.575 4.535 3.960 0.000 0.000 0.173 461 G HA3 0.575 4.535 3.960 0.000 0.000 0.173 461 G C 0.520 175.489 174.900 0.116 0.000 1.704 461 G CA -0.082 45.050 45.100 0.054 0.000 1.041 461 G HN 1.370 nan 8.290 nan 0.000 0.561 462 G N -0.991 107.865 108.800 0.094 0.000 2.489 462 G HA2 0.309 4.269 3.960 0.000 0.000 0.271 462 G HA3 0.309 4.269 3.960 0.000 0.000 0.271 462 G C 0.889 175.903 174.900 0.191 0.000 1.427 462 G CA 0.058 45.248 45.100 0.150 0.000 1.057 462 G HN 0.378 nan 8.290 nan 0.000 0.532 463 I N -0.420 120.223 120.570 0.122 0.000 2.439 463 I HA -0.015 4.155 4.170 0.000 0.000 0.251 463 I C 2.577 178.574 176.117 -0.200 0.000 1.139 463 I CA 1.293 62.518 61.300 -0.125 0.000 1.438 463 I CB -0.294 37.603 38.000 -0.172 0.000 1.085 463 I HN 0.660 nan 8.210 nan 0.000 0.427 464 E N 0.159 120.310 120.200 -0.082 0.000 2.160 464 E HA -0.246 4.104 4.350 0.000 0.000 0.195 464 E C 1.586 178.127 176.600 -0.099 0.000 0.991 464 E CA 1.415 57.770 56.400 -0.074 0.000 0.810 464 E CB -0.155 29.528 29.700 -0.027 0.000 0.742 464 E HN 0.524 nan 8.360 nan 0.000 0.466 465 D N 0.110 120.459 120.400 -0.085 0.000 2.117 465 D HA -0.110 4.530 4.640 0.000 0.000 0.198 465 D C 2.056 178.248 176.300 -0.180 0.000 0.982 465 D CA 0.619 54.562 54.000 -0.094 0.000 0.828 465 D CB -0.189 40.585 40.800 -0.043 0.000 0.967 465 D HN -0.003 nan 8.370 nan 0.000 0.464 466 V N 0.577 120.315 119.914 -0.292 0.000 2.287 466 V HA -0.224 3.896 4.120 0.000 0.000 0.248 466 V C 2.643 178.469 176.094 -0.446 0.000 1.053 466 V CA 1.122 63.105 62.300 -0.528 0.000 1.027 466 V CB -0.527 30.732 31.823 -0.939 0.000 0.646 466 V HN 0.068 nan 8.190 nan 0.000 0.447 467 V N 0.191 119.895 119.914 -0.349 0.000 2.332 467 V HA -0.285 3.835 4.120 0.000 0.000 0.248 467 V C 2.689 178.695 176.094 -0.146 0.000 1.055 467 V CA 2.149 64.322 62.300 -0.211 0.000 1.038 467 V CB -1.088 30.662 31.823 -0.121 0.000 0.651 467 V HN 0.577 nan 8.190 nan 0.000 0.450 468 A N -0.529 122.213 122.820 -0.131 0.000 1.902 468 A HA -0.258 4.062 4.320 0.000 0.000 0.217 468 A C 2.339 179.868 177.584 -0.092 0.000 1.181 468 A CA 2.137 54.120 52.037 -0.090 0.000 0.623 468 A CB -0.465 18.492 19.000 -0.072 0.000 0.818 468 A HN 0.521 nan 8.150 nan 0.000 0.443 469 K N -0.387 119.937 120.400 -0.126 0.000 2.097 469 K HA -0.030 4.290 4.320 0.000 0.000 0.205 469 K C 2.125 178.666 176.600 -0.099 0.000 1.050 469 K CA 1.041 57.262 56.287 -0.111 0.000 0.938 469 K CB -0.290 32.121 32.500 -0.148 0.000 0.718 469 K HN 0.372 nan 8.250 nan 0.000 0.442 470 A N 1.421 124.158 122.820 -0.139 0.000 1.902 470 A HA -0.190 4.130 4.320 0.000 0.000 0.217 470 A C 1.754 179.303 177.584 -0.058 0.000 1.181 470 A CA 1.678 53.649 52.037 -0.110 0.000 0.623 470 A CB -0.396 18.514 19.000 -0.149 0.000 0.818 470 A HN 0.453 nan 8.150 nan 0.000 0.443 471 E N -0.682 119.485 120.200 -0.056 0.000 2.152 471 E HA -0.127 4.223 4.350 0.000 0.000 0.192 471 E C 1.976 178.563 176.600 -0.023 0.000 0.983 471 E CA 0.987 57.367 56.400 -0.033 0.000 0.818 471 E CB -0.082 29.599 29.700 -0.033 0.000 0.758 471 E HN 0.611 nan 8.360 nan 0.000 0.467 472 K N 0.842 121.226 120.400 -0.025 0.000 2.167 472 K HA -0.025 4.295 4.320 0.000 0.000 0.203 472 K C 2.024 178.625 176.600 0.001 0.000 1.052 472 K CA 0.408 56.688 56.287 -0.012 0.000 0.956 472 K CB 0.171 32.663 32.500 -0.015 0.000 0.735 472 K HN 0.078 nan 8.250 nan 0.000 0.451 473 L N -0.013 121.212 121.223 0.004 0.000 2.179 473 L HA -0.050 4.290 4.340 0.000 0.000 0.208 473 L C 2.382 179.261 176.870 0.015 0.000 1.096 473 L CA 0.849 55.703 54.840 0.024 0.000 0.779 473 L CB -0.256 41.830 42.059 0.044 0.000 0.922 473 L HN 0.190 nan 8.230 nan 0.000 0.443 474 A N 0.041 122.863 122.820 0.004 0.000 1.968 474 A HA 0.178 4.498 4.320 0.000 0.000 0.217 474 A C 1.485 179.070 177.584 0.002 0.000 1.169 474 A CA 1.000 53.038 52.037 0.003 0.000 0.638 474 A CB -0.368 18.631 19.000 -0.002 0.000 0.812 474 A HN 0.327 nan 8.150 nan 0.000 0.446 475 A N 0.000 122.820 122.820 0.001 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.038 52.037 0.001 0.000 0.836 475 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486