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 3get_1_B DATA FIRST_RESID 2 DATA SEQUENCE KFNEFLNNLS NYEXXXDIEV IAKEYGVKEV IKLASNENPF GTPPKAIECL DATA SEQUENCE RQNANKAHLY PDDSXIELKS TLAQKYKVQN ENIIIGAGSD QVIEFAIHSK DATA SEQUENCE LNSKNAFLQA GVTFAXYEIY AKQCGAKCYK TQSITHNLDE FKKLYETHKD DATA SEQUENCE EIKLIFLCLP NNPLGECLDA SEATEFIKGV NEDCLVVIDA AYNEFASFKD DATA SEQUENCE SKKHLEPCEL IKEFDNVLYL GTFSXLYGLG GLRIGYGIAN ANIISAFYKL DATA SEQUENCE RAPFNVSNLA LKAAVAAXDD DEFTEKTLEN NFSQXELYKE FAKKHNIKII DATA SEQUENCE DSYTNFITYF FDEKNSTDLS EKLLKKGIII RNLKSYGLNA IRITIGTSYE DATA SEQUENCE NEKFFTEFDK ILR 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.196 176.600 -0.673 0.000 0.988 2 K CA 0.000 56.055 56.287 -0.386 0.000 0.838 2 K CB 0.000 32.403 32.500 -0.162 0.000 1.064 3 F N 0.129 120.043 119.950 -0.060 0.000 2.679 3 F HA 0.413 4.939 4.527 -0.000 0.000 0.341 3 F C 0.667 176.403 175.800 -0.107 0.000 1.095 3 F CA -1.047 56.900 58.000 -0.088 0.000 1.004 3 F CB 0.756 39.681 39.000 -0.124 0.000 1.388 3 F HN 0.291 nan 8.300 nan 0.000 0.505 4 N N 1.393 120.128 118.700 0.058 0.000 2.412 4 N HA -0.044 4.696 4.740 -0.000 0.000 0.254 4 N C 1.081 176.529 175.510 -0.104 0.000 1.232 4 N CA 0.361 53.394 53.050 -0.029 0.000 0.880 4 N CB 0.725 39.197 38.487 -0.025 0.000 1.076 4 N HN 0.791 nan 8.380 nan 0.000 0.458 5 E N 2.406 122.615 120.200 0.016 0.000 2.209 5 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 5 E C 1.431 178.056 176.600 0.042 0.000 0.993 5 E CA 1.200 57.618 56.400 0.031 0.000 0.819 5 E CB -0.441 29.297 29.700 0.064 0.000 0.745 5 E HN 0.712 nan 8.360 nan 0.000 0.477 6 F N 0.678 120.662 119.950 0.057 0.000 2.333 6 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 6 F C 1.487 177.313 175.800 0.042 0.000 1.083 6 F CA 0.429 58.457 58.000 0.048 0.000 1.395 6 F CB -0.333 38.697 39.000 0.051 0.000 1.056 6 F HN -0.064 nan 8.300 nan 0.000 0.529 7 L N 1.297 122.186 121.223 -0.557 0.000 2.362 7 L HA -0.112 4.228 4.340 -0.000 0.000 0.219 7 L C 1.781 178.583 176.870 -0.113 0.000 1.134 7 L CA 1.027 55.653 54.840 -0.357 0.000 0.807 7 L CB -1.314 40.481 42.059 -0.440 0.000 0.927 7 L HN 0.179 nan 8.230 nan 0.000 0.447 8 N N -0.181 118.486 118.700 -0.055 0.000 2.381 8 N HA -0.124 4.616 4.740 -0.000 0.000 0.182 8 N C 1.723 177.242 175.510 0.015 0.000 1.025 8 N CA 1.221 54.266 53.050 -0.009 0.000 0.888 8 N CB -0.764 37.728 38.487 0.010 0.000 0.965 8 N HN 0.592 nan 8.380 nan 0.000 0.438 9 N N 0.620 119.348 118.700 0.046 0.000 2.461 9 N HA 0.132 4.872 4.740 -0.000 0.000 0.188 9 N C 0.502 176.042 175.510 0.050 0.000 1.134 9 N CA 0.266 53.350 53.050 0.058 0.000 0.878 9 N CB -0.122 38.424 38.487 0.098 0.000 0.972 9 N HN 0.091 nan 8.380 nan 0.000 0.456 10 L N 0.272 121.520 121.223 0.040 0.000 2.334 10 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 10 L C 0.911 177.781 176.870 0.001 0.000 1.036 10 L CA -0.867 53.992 54.840 0.032 0.000 0.807 10 L CB 1.694 43.782 42.059 0.047 0.000 1.231 10 L HN 0.275 nan 8.230 nan 0.000 0.438 11 S N 1.576 117.272 115.700 -0.007 0.000 2.565 11 S HA 0.296 4.766 4.470 -0.000 0.000 0.276 11 S C 0.207 174.801 174.600 -0.010 0.000 1.326 11 S CA -0.687 57.501 58.200 -0.019 0.000 1.045 11 S CB -0.002 63.175 63.200 -0.038 0.000 0.918 11 S HN 0.640 nan 8.310 nan 0.000 0.505 12 N N 1.182 119.873 118.700 -0.016 0.000 2.407 12 N HA 0.058 4.798 4.740 -0.000 0.000 0.250 12 N C -0.516 175.007 175.510 0.022 0.000 1.236 12 N CA 0.151 53.201 53.050 -0.001 0.000 0.879 12 N CB -0.103 38.374 38.487 -0.017 0.000 1.088 12 N HN 0.661 nan 8.380 nan 0.000 0.450 13 Y N 0.758 121.020 120.300 -0.063 0.000 2.569 13 Y HA 0.293 4.843 4.550 -0.000 0.000 0.332 13 Y C 0.629 176.496 175.900 -0.055 0.000 1.120 13 Y CA 0.077 58.141 58.100 -0.061 0.000 1.416 13 Y CB -0.452 37.974 38.460 -0.057 0.000 1.210 13 Y HN 0.617 nan 8.280 nan 0.000 0.528 19 I N -0.070 120.482 120.570 -0.029 0.000 2.315 19 I HA 0.041 4.211 4.170 -0.000 0.000 0.251 19 I C 2.350 178.451 176.117 -0.027 0.000 1.125 19 I CA 3.007 64.288 61.300 -0.032 0.000 1.392 19 I CB -1.036 36.940 38.000 -0.040 0.000 1.065 19 I HN 0.754 nan 8.210 nan 0.000 0.424 20 E N -0.119 120.067 120.200 -0.022 0.000 2.150 20 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 20 E C 2.230 178.822 176.600 -0.014 0.000 0.985 20 E CA 1.591 57.981 56.400 -0.017 0.000 0.814 20 E CB -0.540 29.152 29.700 -0.014 0.000 0.752 20 E HN 0.772 nan 8.360 nan 0.000 0.466 21 V N 0.495 120.401 119.914 -0.013 0.000 2.548 21 V HA -0.083 4.037 4.120 -0.000 0.000 0.249 21 V C 2.490 178.577 176.094 -0.013 0.000 1.055 21 V CA 1.682 63.975 62.300 -0.011 0.000 1.065 21 V CB -0.504 31.313 31.823 -0.010 0.000 0.681 21 V HN 0.460 nan 8.190 nan 0.000 0.462 22 I N 0.829 121.389 120.570 -0.017 0.000 2.493 22 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 22 I C 2.592 178.699 176.117 -0.017 0.000 1.160 22 I CA 1.290 62.578 61.300 -0.019 0.000 1.445 22 I CB -0.479 37.506 38.000 -0.024 0.000 1.086 22 I HN 0.275 nan 8.210 nan 0.000 0.433 23 A N 1.118 123.928 122.820 -0.016 0.000 1.929 23 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 23 A C 2.623 180.201 177.584 -0.010 0.000 1.176 23 A CA 2.044 54.072 52.037 -0.014 0.000 0.628 23 A CB -0.708 18.283 19.000 -0.015 0.000 0.816 23 A HN 0.357 nan 8.150 nan 0.000 0.444 24 K N -0.869 119.526 120.400 -0.008 0.000 2.097 24 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 24 K C 2.109 178.705 176.600 -0.006 0.000 1.050 24 K CA 2.067 58.350 56.287 -0.006 0.000 0.938 24 K CB -1.511 30.986 32.500 -0.005 0.000 0.718 24 K HN 0.762 nan 8.250 nan 0.000 0.442 25 E N -0.713 119.482 120.200 -0.009 0.000 2.047 25 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 25 E C 2.449 179.043 176.600 -0.009 0.000 0.987 25 E CA 1.938 58.332 56.400 -0.009 0.000 0.799 25 E CB -1.621 28.072 29.700 -0.011 0.000 0.752 25 E HN 1.102 nan 8.360 nan 0.000 0.449 26 Y N -0.393 119.901 120.300 -0.010 0.000 2.274 26 Y HA 0.285 4.835 4.550 -0.000 0.000 0.290 26 Y C 2.508 178.403 175.900 -0.008 0.000 1.145 26 Y CA 1.545 59.639 58.100 -0.010 0.000 1.203 26 Y CB -0.378 38.075 38.460 -0.012 0.000 0.984 26 Y HN 1.166 nan 8.280 nan 0.000 0.533 27 G N -2.049 106.748 108.800 -0.006 0.000 2.155 27 G HA2 0.316 4.276 3.960 -0.000 0.000 0.135 27 G HA3 0.316 4.276 3.960 -0.000 0.000 0.135 27 G C 0.040 174.939 174.900 -0.002 0.000 1.023 27 G CA -0.092 45.006 45.100 -0.004 0.000 0.688 27 G HN 1.742 nan 8.290 nan 0.000 0.499 28 V N -0.407 119.505 119.914 -0.003 0.000 2.614 28 V HA 0.763 4.883 4.120 -0.000 0.000 0.291 28 V C 1.294 177.390 176.094 0.004 0.000 1.049 28 V CA 1.357 63.656 62.300 -0.000 0.000 1.038 28 V CB 0.327 nan 31.823 nan 0.000 0.980 28 V HN 1.046 nan 8.190 nan 0.000 0.481 29 K N 3.624 124.029 120.400 0.009 0.000 1.979 29 K HA 0.074 4.393 4.320 -0.000 0.000 0.213 29 K C 1.105 177.716 176.600 0.018 0.000 1.036 29 K CA 1.643 57.938 56.287 0.014 0.000 0.954 29 K CB -0.410 nan 32.500 nan 0.000 0.743 29 K HN 0.924 nan 8.250 nan 0.000 0.443 30 E N 0.370 120.586 120.200 0.026 0.000 2.156 30 E HA 0.454 4.804 4.350 -0.000 0.000 0.279 30 E C -1.516 175.099 176.600 0.025 0.000 0.965 30 E CA -0.604 55.818 56.400 0.036 0.000 0.789 30 E CB 1.718 31.460 29.700 0.070 0.000 1.098 30 E HN 0.141 nan 8.360 nan 0.000 0.397 31 V N 6.077 126.002 119.914 0.019 0.000 2.394 31 V HA 0.264 4.384 4.120 -0.000 0.000 0.282 31 V C -0.156 175.942 176.094 0.007 0.000 1.031 31 V CA -0.732 61.571 62.300 0.005 0.000 0.881 31 V CB 1.318 33.139 31.823 -0.004 0.000 0.982 31 V HN 0.647 nan 8.190 nan 0.000 0.451 32 I N 5.410 125.975 120.570 -0.008 0.000 2.328 32 I HA 0.384 4.554 4.170 -0.000 0.000 0.287 32 I C 0.265 176.352 176.117 -0.049 0.000 1.012 32 I CA -0.583 60.705 61.300 -0.019 0.000 1.195 32 I CB 1.343 39.322 38.000 -0.034 0.000 1.350 32 I HN 0.555 nan 8.210 nan 0.000 0.464 33 K N 7.575 127.943 120.400 -0.054 0.000 2.268 33 K HA 0.487 4.807 4.320 -0.000 0.000 0.276 33 K C -0.177 176.355 176.600 -0.113 0.000 1.080 33 K CA -0.236 56.007 56.287 -0.074 0.000 0.910 33 K CB 1.144 33.612 32.500 -0.053 0.000 1.163 33 K HN 0.496 nan 8.250 nan 0.000 0.465 34 L N 2.386 123.517 121.223 -0.154 0.000 3.083 34 L HA 0.276 4.615 4.340 -0.000 0.000 0.286 34 L C 0.653 177.381 176.870 -0.235 0.000 1.307 34 L CA -0.066 54.641 54.840 -0.222 0.000 0.897 34 L CB 0.839 42.712 42.059 -0.309 0.000 1.306 34 L HN 0.677 nan 8.230 nan 0.000 0.569 35 A N -1.322 121.393 122.820 -0.176 0.000 2.390 35 A HA 0.270 4.590 4.320 -0.000 0.000 0.225 35 A C 1.431 178.928 177.584 -0.145 0.000 1.232 35 A CA 0.188 52.122 52.037 -0.171 0.000 0.964 35 A CB 0.472 19.393 19.000 -0.131 0.000 1.064 35 A HN 0.238 nan 8.150 nan 0.000 0.525 36 S N 0.957 116.591 115.700 -0.110 0.000 2.730 36 S HA 0.149 4.619 4.470 -0.000 0.000 0.244 36 S C 0.030 174.608 174.600 -0.036 0.000 1.022 36 S CA -0.376 57.785 58.200 -0.065 0.000 1.014 36 S CB 0.007 63.187 63.200 -0.034 0.000 0.963 36 S HN 0.527 nan 8.310 nan 0.000 0.540 37 N N 2.312 120.977 118.700 -0.058 0.000 2.735 37 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 37 N C -0.508 175.020 175.510 0.030 0.000 1.083 37 N CA 0.880 53.938 53.050 0.015 0.000 0.703 37 N CB -1.299 37.289 38.487 0.167 0.000 1.005 37 N HN 0.632 nan 8.380 nan 0.000 0.550 38 E N 0.142 120.338 120.200 -0.006 0.000 2.318 38 E HA 0.238 4.588 4.350 -0.000 0.000 0.265 38 E C 0.560 177.165 176.600 0.009 0.000 1.069 38 E CA -0.835 55.578 56.400 0.021 0.000 0.893 38 E CB 0.636 30.345 29.700 0.014 0.000 1.076 38 E HN 0.130 nan 8.360 nan 0.000 0.414 39 N N 2.741 121.482 118.700 0.067 0.000 2.452 39 N HA 0.010 4.750 4.740 -0.000 0.000 0.266 39 N C -1.710 173.798 175.510 -0.003 0.000 1.209 39 N CA -1.389 51.703 53.050 0.069 0.000 0.929 39 N CB 0.832 39.438 38.487 0.198 0.000 1.063 39 N HN 0.268 nan 8.380 nan 0.000 0.472 40 P HA -0.025 nan 4.420 nan 0.000 0.233 40 P C 0.574 177.705 177.300 -0.282 0.000 1.167 40 P CA 0.809 63.735 63.100 -0.291 0.000 0.770 40 P CB 0.027 31.435 31.700 -0.487 0.000 0.837 41 F N 0.054 120.035 119.950 0.051 0.000 2.765 41 F HA 0.352 4.879 4.527 -0.000 0.000 0.302 41 F C 1.916 177.886 175.800 0.282 0.000 1.111 41 F CA 0.786 58.864 58.000 0.129 0.000 1.359 41 F CB -0.576 38.435 39.000 0.018 0.000 1.097 41 F HN 0.083 nan 8.300 nan 0.000 0.577 42 G N -0.057 108.969 108.800 0.376 0.000 2.484 42 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.225 42 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.225 42 G C -0.338 174.747 174.900 0.309 0.000 1.250 42 G CA -0.531 44.737 45.100 0.280 0.000 0.926 42 G HN 0.053 nan 8.290 nan 0.000 0.581 43 T N 4.021 118.637 114.554 0.104 0.000 2.817 43 T HA 0.568 4.918 4.350 -0.000 0.000 0.293 43 T C -2.317 172.155 174.700 -0.381 0.000 0.964 43 T CA -0.399 61.684 62.100 -0.029 0.000 1.085 43 T CB 1.538 70.388 68.868 -0.031 0.000 0.921 43 T HN 0.492 nan 8.240 nan 0.000 0.502 44 P HA 0.098 nan 4.420 nan 0.000 0.261 44 P C -1.928 175.038 177.300 -0.557 0.000 1.183 44 P CA -1.212 61.238 63.100 -1.084 0.000 0.761 44 P CB 0.092 31.548 31.700 -0.408 0.000 0.785 45 P HA -0.155 nan 4.420 nan 0.000 0.218 45 P C 1.094 178.304 177.300 -0.151 0.000 1.148 45 P CA 1.745 64.699 63.100 -0.243 0.000 0.822 45 P CB -0.065 31.536 31.700 -0.165 0.000 0.784 46 K N -0.522 119.798 120.400 -0.132 0.000 2.211 46 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 46 K C 2.092 178.648 176.600 -0.074 0.000 1.050 46 K CA 1.332 57.575 56.287 -0.075 0.000 0.945 46 K CB -0.489 31.985 32.500 -0.043 0.000 0.732 46 K HN 0.075 nan 8.250 nan 0.000 0.451 47 A N 1.464 124.228 122.820 -0.094 0.000 1.929 47 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 47 A C 2.077 179.618 177.584 -0.071 0.000 1.176 47 A CA 0.939 52.930 52.037 -0.077 0.000 0.628 47 A CB -0.433 18.526 19.000 -0.069 0.000 0.816 47 A HN 0.131 nan 8.150 nan 0.000 0.444 48 I N -0.459 120.059 120.570 -0.088 0.000 2.163 48 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 48 I C 2.569 178.656 176.117 -0.049 0.000 1.085 48 I CA 1.900 63.161 61.300 -0.065 0.000 1.347 48 I CB -0.279 37.678 38.000 -0.072 0.000 1.044 48 I HN 0.391 nan 8.210 nan 0.000 0.408 49 E N 0.619 120.788 120.200 -0.051 0.000 2.072 49 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 49 E C 2.242 178.822 176.600 -0.033 0.000 0.985 49 E CA 1.416 57.794 56.400 -0.037 0.000 0.801 49 E CB -0.560 29.119 29.700 -0.035 0.000 0.750 49 E HN 0.496 nan 8.360 nan 0.000 0.452 50 C N -0.053 119.224 119.300 -0.039 0.000 2.413 50 C HA -0.108 4.352 4.460 -0.000 0.000 0.276 50 C C 2.577 177.547 174.990 -0.033 0.000 1.236 50 C CA 1.086 60.082 59.018 -0.037 0.000 1.735 50 C CB -1.273 26.439 27.740 -0.046 0.000 2.031 50 C HN 0.546 nan 8.230 nan 0.000 0.474 51 L N 0.162 121.364 121.223 -0.035 0.000 2.046 51 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 51 L C 3.016 179.874 176.870 -0.021 0.000 1.077 51 L CA 1.736 56.558 54.840 -0.029 0.000 0.747 51 L CB -0.658 41.384 42.059 -0.028 0.000 0.896 51 L HN 0.327 nan 8.230 nan 0.000 0.432 52 R N -0.656 119.832 120.500 -0.021 0.000 2.081 52 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 52 R C 2.350 178.643 176.300 -0.012 0.000 1.131 52 R CA 0.992 57.082 56.100 -0.015 0.000 0.960 52 R CB -0.216 30.074 30.300 -0.016 0.000 0.856 52 R HN 0.342 nan 8.270 nan 0.000 0.436 53 Q N 0.155 119.947 119.800 -0.014 0.000 2.224 53 Q HA -0.042 4.297 4.340 -0.000 0.000 0.203 53 Q C 0.974 176.970 176.000 -0.007 0.000 0.970 53 Q CA 1.079 56.876 55.803 -0.010 0.000 0.865 53 Q CB -0.016 28.714 28.738 -0.013 0.000 0.922 53 Q HN 0.381 nan 8.270 nan 0.000 0.445 54 N N -0.382 118.311 118.700 -0.011 0.000 2.230 54 N HA 0.145 4.885 4.740 -0.000 0.000 0.202 54 N C 1.148 176.657 175.510 -0.002 0.000 1.119 54 N CA 0.439 53.483 53.050 -0.009 0.000 0.851 54 N CB 0.586 39.060 38.487 -0.022 0.000 0.990 54 N HN 0.103 nan 8.380 nan 0.000 0.497 55 A N 2.283 125.104 122.820 0.001 0.000 1.948 55 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 55 A C 1.738 179.338 177.584 0.027 0.000 1.177 55 A CA 1.692 53.733 52.037 0.006 0.000 0.636 55 A CB -0.477 18.524 19.000 0.001 0.000 0.815 55 A HN 0.430 nan 8.150 nan 0.000 0.449 56 N N -1.261 117.461 118.700 0.037 0.000 2.370 56 N HA 0.005 4.745 4.740 -0.000 0.000 0.198 56 N C 0.431 176.040 175.510 0.165 0.000 1.156 56 N CA 0.355 53.447 53.050 0.071 0.000 0.839 56 N CB 0.158 38.669 38.487 0.041 0.000 0.989 56 N HN 0.274 nan 8.380 nan 0.000 0.468 57 K N -0.318 120.146 120.400 0.106 0.000 2.414 57 K HA 0.333 4.653 4.320 -0.000 0.000 0.204 57 K C 0.894 177.447 176.600 -0.078 0.000 1.026 57 K CA 0.095 56.391 56.287 0.016 0.000 1.108 57 K CB 0.771 33.242 32.500 -0.048 0.000 0.855 57 K HN 0.240 nan 8.250 nan 0.000 0.517 58 A N 1.748 124.598 122.820 0.051 0.000 2.121 58 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 58 A C 1.808 179.368 177.584 -0.041 0.000 1.154 58 A CA 1.088 53.118 52.037 -0.013 0.000 0.679 58 A CB -0.753 18.254 19.000 0.011 0.000 0.795 58 A HN 0.423 nan 8.150 nan 0.000 0.458 59 H N -0.857 118.167 119.070 -0.076 0.000 2.529 59 H HA 0.187 4.743 4.556 -0.000 0.000 0.277 59 H C 0.208 175.474 175.328 -0.104 0.000 0.999 59 H CA 0.172 56.167 56.048 -0.087 0.000 1.256 59 H CB -0.629 29.104 29.762 -0.048 0.000 1.402 59 H HN 0.368 nan 8.280 nan 0.000 0.566 60 L N 1.897 122.799 121.223 -0.536 0.000 2.276 60 L HA 0.193 4.533 4.340 -0.000 0.000 0.286 60 L C -0.304 176.424 176.870 -0.237 0.000 1.061 60 L CA -1.017 53.603 54.840 -0.366 0.000 0.807 60 L CB 0.637 42.453 42.059 -0.405 0.000 1.177 60 L HN -0.032 nan 8.230 nan 0.000 0.429 61 Y N 4.126 124.296 120.300 -0.217 0.000 2.788 61 Y HA -0.004 4.546 4.550 -0.000 0.000 0.341 61 Y C -1.495 174.341 175.900 -0.107 0.000 1.258 61 Y CA -0.796 57.149 58.100 -0.259 0.000 1.503 61 Y CB -0.153 37.988 38.460 -0.532 0.000 1.325 61 Y HN 0.411 nan 8.280 nan 0.000 0.614 62 P HA 0.007 nan 4.420 nan 0.000 0.274 62 P C -0.903 176.567 177.300 0.283 0.000 1.237 62 P CA -0.487 62.717 63.100 0.172 0.000 0.793 62 P CB 0.705 32.514 31.700 0.182 0.000 0.977 63 D N 0.635 121.142 120.400 0.178 0.000 2.368 63 D HA -0.059 4.581 4.640 -0.000 0.000 0.268 63 D C 0.757 177.158 176.300 0.169 0.000 1.298 63 D CA 0.326 54.424 54.000 0.163 0.000 0.938 63 D CB -0.311 40.543 40.800 0.089 0.000 1.101 63 D HN 0.180 nan 8.370 nan 0.000 0.509 64 D N 2.010 122.518 120.400 0.180 0.000 2.310 64 D HA -0.118 4.522 4.640 -0.000 0.000 0.212 64 D C 0.672 176.993 176.300 0.035 0.000 0.965 64 D CA 0.597 54.617 54.000 0.033 0.000 0.879 64 D CB 0.118 40.767 40.800 -0.252 0.000 0.921 64 D HN 0.437 nan 8.370 nan 0.000 0.510 68 E N 0.600 120.806 120.200 0.010 0.000 2.051 68 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 68 E C 1.991 178.585 176.600 -0.010 0.000 0.991 68 E CA 2.052 58.450 56.400 -0.004 0.000 0.799 68 E CB -0.012 29.682 29.700 -0.011 0.000 0.748 68 E HN 0.393 nan 8.360 nan 0.000 0.449 69 L N 1.474 122.693 121.223 -0.007 0.000 2.056 69 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 69 L C 2.062 178.940 176.870 0.013 0.000 1.078 69 L CA 1.773 56.605 54.840 -0.013 0.000 0.749 69 L CB -0.332 41.718 42.059 -0.015 0.000 0.901 69 L HN -0.019 nan 8.230 nan 0.000 0.433 70 K N -0.859 119.564 120.400 0.038 0.000 2.063 70 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 70 K C 2.056 178.671 176.600 0.025 0.000 1.048 70 K CA 1.721 58.038 56.287 0.049 0.000 0.928 70 K CB -0.257 32.282 32.500 0.064 0.000 0.713 70 K HN 0.325 nan 8.250 nan 0.000 0.442 71 S N 0.326 116.033 115.700 0.012 0.000 2.383 71 S HA -0.101 4.368 4.470 -0.000 0.000 0.227 71 S C 1.964 176.558 174.600 -0.009 0.000 1.026 71 S CA 1.533 59.734 58.200 0.002 0.000 0.981 71 S CB -0.231 62.968 63.200 -0.002 0.000 0.818 71 S HN 0.354 nan 8.310 nan 0.000 0.472 72 T N 2.810 117.352 114.554 -0.019 0.000 2.737 72 T HA 0.073 4.423 4.350 -0.000 0.000 0.265 72 T C 1.770 176.438 174.700 -0.055 0.000 1.038 72 T CA 0.881 62.958 62.100 -0.039 0.000 1.144 72 T CB -0.387 68.453 68.868 -0.047 0.000 0.866 72 T HN 0.235 nan 8.240 nan 0.000 0.434 73 L N 0.779 121.978 121.223 -0.040 0.000 2.046 73 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 73 L C 3.054 179.954 176.870 0.049 0.000 1.077 73 L CA 1.206 56.027 54.840 -0.031 0.000 0.747 73 L CB -0.665 41.357 42.059 -0.062 0.000 0.896 73 L HN 0.243 nan 8.230 nan 0.000 0.432 74 A N -0.698 122.146 122.820 0.040 0.000 1.908 74 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 74 A C 2.267 179.868 177.584 0.028 0.000 1.181 74 A CA 1.942 54.009 52.037 0.050 0.000 0.627 74 A CB -0.570 18.448 19.000 0.030 0.000 0.818 74 A HN 0.496 nan 8.150 nan 0.000 0.445 75 Q N -0.453 119.343 119.800 -0.007 0.000 2.046 75 Q HA -0.200 4.140 4.340 -0.000 0.000 0.200 75 Q C 2.215 178.180 176.000 -0.058 0.000 0.975 75 Q CA 1.845 57.634 55.803 -0.025 0.000 0.836 75 Q CB -0.164 28.556 28.738 -0.031 0.000 0.896 75 Q HN 0.698 nan 8.270 nan 0.000 0.428 76 K N -0.601 119.723 120.400 -0.128 0.000 2.032 76 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 76 K C 1.217 177.647 176.600 -0.283 0.000 1.048 76 K CA 1.569 57.695 56.287 -0.269 0.000 0.927 76 K CB -0.079 32.123 32.500 -0.496 0.000 0.712 76 K HN 0.249 nan 8.250 nan 0.000 0.441 77 Y N 0.498 120.777 120.300 -0.035 0.000 2.457 77 Y HA 0.220 4.769 4.550 -0.000 0.000 0.263 77 Y C -0.099 175.780 175.900 -0.035 0.000 1.164 77 Y CA 0.058 58.132 58.100 -0.043 0.000 1.274 77 Y CB 0.434 38.845 38.460 -0.082 0.000 1.097 77 Y HN -0.002 nan 8.280 nan 0.000 0.523 78 K N 0.172 120.628 120.400 0.094 0.000 3.150 78 K HA -0.141 4.179 4.320 -0.000 0.000 0.267 78 K C -0.352 176.278 176.600 0.051 0.000 1.028 78 K CA 0.684 57.003 56.287 0.054 0.000 0.753 78 K CB -2.175 30.350 32.500 0.042 0.000 1.288 78 K HN 0.257 nan 8.250 nan 0.000 0.473 79 V N -3.436 116.514 119.914 0.059 0.000 3.182 79 V HA 0.547 4.667 4.120 -0.000 0.000 0.311 79 V C 0.004 176.115 176.094 0.029 0.000 1.221 79 V CA -1.119 61.203 62.300 0.036 0.000 1.060 79 V CB 2.002 33.844 31.823 0.033 0.000 1.164 79 V HN 0.080 nan 8.190 nan 0.000 0.466 80 Q N 0.714 120.525 119.800 0.019 0.000 2.205 80 Q HA 0.467 4.807 4.340 -0.000 0.000 0.249 80 Q C 0.491 176.503 176.000 0.019 0.000 0.948 80 Q CA -0.746 55.065 55.803 0.012 0.000 0.895 80 Q CB 1.168 29.906 28.738 0.000 0.000 1.249 80 Q HN 0.781 nan 8.270 nan 0.000 0.458 81 N N 1.278 119.985 118.700 0.012 0.000 2.205 81 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 81 N C 1.262 176.781 175.510 0.015 0.000 1.015 81 N CA 1.352 54.413 53.050 0.018 0.000 0.862 81 N CB 0.081 38.571 38.487 0.003 0.000 0.986 81 N HN 0.662 nan 8.380 nan 0.000 0.429 82 E N -0.230 119.965 120.200 -0.008 0.000 2.472 82 E HA -0.075 4.275 4.350 -0.000 0.000 0.200 82 E C 0.403 177.008 176.600 0.007 0.000 1.046 82 E CA 0.837 57.222 56.400 -0.025 0.000 0.871 82 E CB -0.411 29.263 29.700 -0.042 0.000 0.806 82 E HN 0.407 nan 8.360 nan 0.000 0.533 83 N N 0.211 118.929 118.700 0.030 0.000 2.280 83 N HA 0.230 4.970 4.740 -0.000 0.000 0.192 83 N C -0.527 175.039 175.510 0.095 0.000 1.109 83 N CA -0.030 53.047 53.050 0.044 0.000 0.855 83 N CB 0.498 39.003 38.487 0.030 0.000 0.974 83 N HN 0.135 nan 8.380 nan 0.000 0.482 84 I N 0.715 121.363 120.570 0.130 0.000 2.530 84 I HA 0.419 4.589 4.170 -0.000 0.000 0.297 84 I C -0.898 175.397 176.117 0.297 0.000 1.011 84 I CA -0.878 60.539 61.300 0.196 0.000 1.107 84 I CB 2.383 40.477 38.000 0.158 0.000 1.285 84 I HN -0.084 nan 8.210 nan 0.000 0.436 85 I N 5.939 126.706 120.570 0.327 0.000 2.647 85 I HA 0.489 4.659 4.170 -0.000 0.000 0.295 85 I C -1.267 175.028 176.117 0.298 0.000 1.078 85 I CA -0.714 60.778 61.300 0.320 0.000 1.048 85 I CB 1.743 39.902 38.000 0.264 0.000 1.239 85 I HN 0.347 nan 8.210 nan 0.000 0.421 86 I N 6.137 126.852 120.570 0.241 0.000 2.377 86 I HA 0.557 4.727 4.170 -0.000 0.000 0.293 86 I C 0.489 176.731 176.117 0.210 0.000 0.987 86 I CA -0.296 61.157 61.300 0.254 0.000 1.185 86 I CB 0.769 38.903 38.000 0.222 0.000 1.341 86 I HN 0.646 nan 8.210 nan 0.000 0.455 87 G N 3.473 112.391 108.800 0.196 0.000 2.537 87 G HA2 0.617 4.577 3.960 -0.000 0.000 0.308 87 G HA3 0.617 4.577 3.960 -0.000 0.000 0.308 87 G C -0.670 174.277 174.900 0.078 0.000 1.237 87 G CA -0.732 44.429 45.100 0.102 0.000 0.968 87 G HN 0.694 nan 8.290 nan 0.000 0.481 88 A N 0.473 123.302 122.820 0.016 0.000 2.981 88 A HA 0.632 4.952 4.320 -0.000 0.000 0.280 88 A C 1.213 178.804 177.584 0.012 0.000 1.743 88 A CA 0.746 52.798 52.037 0.025 0.000 1.430 88 A CB -1.214 17.788 19.000 0.003 0.000 1.085 88 A HN 2.554 nan 8.150 nan 0.000 0.597 89 G N 0.621 109.457 108.800 0.060 0.000 2.758 89 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.686 89 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.686 89 G C 0.813 175.720 174.900 0.011 0.000 1.389 89 G CA 0.147 45.281 45.100 0.057 0.000 0.845 89 G HN 1.688 nan 8.290 nan 0.000 0.572 90 S N -0.462 115.231 115.700 -0.011 0.000 2.423 90 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 90 S C 1.558 176.146 174.600 -0.021 0.000 1.014 90 S CA 1.902 60.070 58.200 -0.053 0.000 0.965 90 S CB -0.122 63.007 63.200 -0.118 0.000 0.785 90 S HN 0.691 nan 8.310 nan 0.000 0.495 91 D N 1.810 122.236 120.400 0.044 0.000 2.133 91 D HA -0.187 4.453 4.640 -0.000 0.000 0.192 91 D C 2.054 178.232 176.300 -0.203 0.000 1.001 91 D CA 1.674 55.729 54.000 0.092 0.000 0.844 91 D CB -0.378 40.538 40.800 0.194 0.000 0.944 91 D HN 0.602 nan 8.370 nan 0.000 0.447 92 Q N -0.077 119.546 119.800 -0.296 0.000 2.170 92 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 92 Q C 1.909 177.340 176.000 -0.948 0.000 0.976 92 Q CA 0.909 56.334 55.803 -0.631 0.000 0.858 92 Q CB 0.196 28.610 28.738 -0.540 0.000 0.907 92 Q HN 0.192 nan 8.270 nan 0.000 0.433 93 V N 0.621 120.218 119.914 -0.527 0.000 2.515 93 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 93 V C 2.117 178.016 176.094 -0.324 0.000 1.058 93 V CA 1.273 63.350 62.300 -0.371 0.000 1.064 93 V CB -0.448 31.345 31.823 -0.050 0.000 0.675 93 V HN 0.370 nan 8.190 nan 0.000 0.461 94 I N 0.071 120.518 120.570 -0.204 0.000 2.179 94 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 94 I C 2.590 178.587 176.117 -0.201 0.000 1.088 94 I CA 1.650 62.922 61.300 -0.047 0.000 1.357 94 I CB -0.378 37.736 38.000 0.191 0.000 1.051 94 I HN 0.350 nan 8.210 nan 0.000 0.409 95 E N 0.454 120.364 120.200 -0.484 0.000 2.085 95 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 95 E C 2.179 178.681 176.600 -0.163 0.000 0.994 95 E CA 1.445 57.588 56.400 -0.429 0.000 0.801 95 E CB -0.154 29.145 29.700 -0.670 0.000 0.743 95 E HN 0.356 nan 8.360 nan 0.000 0.453 96 F N 0.828 120.549 119.950 -0.381 0.000 2.134 96 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 96 F C 2.444 177.887 175.800 -0.596 0.000 1.097 96 F CA 0.918 58.587 58.000 -0.551 0.000 1.264 96 F CB -1.235 37.220 39.000 -0.908 0.000 1.001 96 F HN 0.000 nan 8.300 nan 0.000 0.479 97 A N 0.431 122.974 122.820 -0.461 0.000 1.877 97 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 97 A C 2.353 179.926 177.584 -0.018 0.000 1.186 97 A CA 1.781 53.730 52.037 -0.146 0.000 0.620 97 A CB -1.151 17.822 19.000 -0.045 0.000 0.822 97 A HN 0.356 nan 8.150 nan 0.000 0.443 98 I N -1.394 119.148 120.570 -0.048 0.000 2.202 98 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 98 I C 2.360 178.388 176.117 -0.149 0.000 1.091 98 I CA 1.600 62.842 61.300 -0.097 0.000 1.368 98 I CB -0.417 37.512 38.000 -0.119 0.000 1.058 98 I HN 0.407 nan 8.210 nan 0.000 0.410 99 H N -0.205 118.830 119.070 -0.057 0.000 2.456 99 H HA -0.118 4.438 4.556 -0.000 0.000 0.296 99 H C 2.449 177.780 175.328 0.006 0.000 1.079 99 H CA 1.585 57.611 56.048 -0.036 0.000 1.322 99 H CB -0.085 29.655 29.762 -0.037 0.000 1.388 99 H HN 0.356 nan 8.280 nan 0.000 0.538 100 S N -0.538 115.243 115.700 0.135 0.000 2.436 100 S HA -0.003 4.467 4.470 -0.000 0.000 0.228 100 S C 1.646 176.311 174.600 0.108 0.000 1.014 100 S CA 0.610 58.904 58.200 0.157 0.000 0.950 100 S CB 0.353 63.736 63.200 0.305 0.000 0.784 100 S HN 0.182 nan 8.310 nan 0.000 0.504 101 K N 0.064 120.507 120.400 0.071 0.000 2.474 101 K HA 0.454 4.774 4.320 -0.000 0.000 0.202 101 K C 0.232 176.848 176.600 0.026 0.000 1.248 101 K CA 0.062 56.381 56.287 0.052 0.000 0.946 101 K CB 0.314 32.849 32.500 0.058 0.000 1.102 101 K HN 0.364 nan 8.250 nan 0.000 0.541 102 L N 2.424 123.637 121.223 -0.016 0.000 2.360 102 L HA 0.278 4.618 4.340 -0.000 0.000 0.271 102 L C -0.142 176.704 176.870 -0.040 0.000 1.057 102 L CA -0.742 54.088 54.840 -0.016 0.000 0.803 102 L CB 1.168 43.202 42.059 -0.042 0.000 1.207 102 L HN 0.205 nan 8.230 nan 0.000 0.445 103 N N -2.191 116.505 118.700 -0.007 0.000 3.106 103 N HA 0.112 4.852 4.740 -0.000 0.000 0.253 103 N C 0.042 175.558 175.510 0.010 0.000 1.506 103 N CA -0.278 52.763 53.050 -0.015 0.000 0.876 103 N CB 0.802 39.287 38.487 -0.003 0.000 1.452 103 N HN 0.372 nan 8.380 nan 0.000 0.542 104 S N -1.067 114.638 115.700 0.008 0.000 2.500 104 S HA -0.063 4.407 4.470 -0.000 0.000 0.239 104 S C 0.723 175.340 174.600 0.029 0.000 0.989 104 S CA 0.752 58.965 58.200 0.022 0.000 0.951 104 S CB -0.440 62.776 63.200 0.026 0.000 0.759 104 S HN 0.596 nan 8.310 nan 0.000 0.523 105 K N 1.286 121.706 120.400 0.032 0.000 2.373 105 K HA 0.211 4.531 4.320 -0.000 0.000 0.202 105 K C 0.046 176.677 176.600 0.051 0.000 1.025 105 K CA -0.039 56.271 56.287 0.038 0.000 1.115 105 K CB 0.202 32.723 32.500 0.035 0.000 0.858 105 K HN 0.660 nan 8.250 nan 0.000 0.525 106 N N -0.212 118.525 118.700 0.061 0.000 3.283 106 N HA 0.591 5.331 4.740 -0.000 0.000 0.338 106 N C -1.223 174.355 175.510 0.113 0.000 1.517 106 N CA -0.935 52.168 53.050 0.089 0.000 0.733 106 N CB 0.965 39.506 38.487 0.090 0.000 1.797 106 N HN -0.128 nan 8.380 nan 0.000 0.637 107 A N -1.514 121.405 122.820 0.165 0.000 2.569 107 A HA 0.785 5.105 4.320 -0.000 0.000 0.290 107 A C -1.651 176.125 177.584 0.319 0.000 1.136 107 A CA -0.795 51.359 52.037 0.194 0.000 0.710 107 A CB 0.740 19.848 19.000 0.181 0.000 1.303 107 A HN 0.803 nan 8.150 nan 0.000 0.413 108 F N -1.040 118.994 119.950 0.141 0.000 2.620 108 F HA 0.887 5.414 4.527 -0.000 0.000 0.320 108 F C -1.307 174.638 175.800 0.241 0.000 1.069 108 F CA -1.688 56.422 58.000 0.183 0.000 0.953 108 F CB 1.308 40.425 39.000 0.195 0.000 1.322 108 F HN 0.548 nan 8.300 nan 0.000 0.479 109 L N 2.562 123.944 121.223 0.266 0.000 2.362 109 L HA 0.719 5.059 4.340 -0.000 0.000 0.271 109 L C -1.042 176.005 176.870 0.294 0.000 1.002 109 L CA -0.239 54.693 54.840 0.153 0.000 0.818 109 L CB 2.021 44.205 42.059 0.209 0.000 1.298 109 L HN 1.001 nan 8.230 nan 0.000 0.420 110 Q N 3.758 123.632 119.800 0.123 0.000 2.590 110 Q HA 0.866 5.206 4.340 -0.000 0.000 0.295 110 Q C -1.341 174.659 176.000 -0.000 0.000 0.973 110 Q CA -0.853 55.118 55.803 0.281 0.000 0.768 110 Q CB 1.218 30.218 28.738 0.437 0.000 1.479 110 Q HN 0.874 nan 8.270 nan 0.000 0.419 111 A N 0.351 123.242 122.820 0.117 0.000 2.429 111 A HA 0.458 4.778 4.320 -0.000 0.000 0.242 111 A C 1.219 178.778 177.584 -0.042 0.000 1.088 111 A CA 0.370 52.359 52.037 -0.081 0.000 0.784 111 A CB -0.357 18.380 19.000 -0.440 0.000 1.038 111 A HN 0.993 nan 8.150 nan 0.000 0.501 112 G N -0.633 108.139 108.800 -0.046 0.000 2.469 112 G HA2 0.099 4.059 3.960 -0.000 0.000 0.219 112 G HA3 0.099 4.059 3.960 -0.000 0.000 0.219 112 G C 0.347 175.271 174.900 0.040 0.000 1.150 112 G CA 1.574 46.670 45.100 -0.006 0.000 0.763 112 G HN 0.890 nan 8.290 nan 0.000 0.561 113 V N 0.107 120.049 119.914 0.047 0.000 2.462 113 V HA 0.604 4.724 4.120 -0.000 0.000 0.288 113 V C -0.159 175.974 176.094 0.065 0.000 1.020 113 V CA -0.356 61.991 62.300 0.077 0.000 0.857 113 V CB 1.404 33.262 31.823 0.058 0.000 1.013 113 V HN 0.291 nan 8.190 nan 0.000 0.431 114 T N 3.325 117.956 114.554 0.127 0.000 2.654 114 T HA 0.560 4.910 4.350 -0.000 0.000 0.289 114 T C -1.036 173.753 174.700 0.147 0.000 1.062 114 T CA -0.491 61.707 62.100 0.164 0.000 1.041 114 T CB 1.163 70.239 68.868 0.347 0.000 1.417 114 T HN 0.273 nan 8.240 nan 0.000 0.510 115 F N 2.990 122.795 119.950 -0.242 0.000 2.593 115 F HA 0.458 4.985 4.527 -0.000 0.000 0.393 115 F C 0.895 176.450 175.800 -0.409 0.000 1.037 115 F CA -0.522 57.236 58.000 -0.403 0.000 1.195 115 F CB -0.647 37.898 39.000 -0.757 0.000 1.034 115 F HN 0.683 nan 8.300 nan 0.000 0.552 119 E N 1.295 121.484 120.200 -0.017 0.000 2.106 119 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 119 E C 1.761 178.338 176.600 -0.038 0.000 0.984 119 E CA 1.555 58.014 56.400 0.098 0.000 0.806 119 E CB -0.088 29.688 29.700 0.126 0.000 0.750 119 E HN 0.453 nan 8.360 nan 0.000 0.458 120 I N 0.191 120.650 120.570 -0.185 0.000 2.179 120 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 120 I C 1.941 177.977 176.117 -0.134 0.000 1.088 120 I CA 1.038 62.205 61.300 -0.221 0.000 1.357 120 I CB -0.291 37.472 38.000 -0.395 0.000 1.051 120 I HN 0.196 nan 8.210 nan 0.000 0.409 121 Y N 0.740 120.978 120.300 -0.103 0.000 2.181 121 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 121 Y C 2.623 178.459 175.900 -0.106 0.000 1.146 121 Y CA 0.910 58.970 58.100 -0.066 0.000 1.164 121 Y CB -1.084 37.346 38.460 -0.049 0.000 0.982 121 Y HN 0.118 nan 8.280 nan 0.000 0.515 122 A N -0.025 122.777 122.820 -0.029 0.000 2.067 122 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 122 A C 2.170 179.732 177.584 -0.037 0.000 1.158 122 A CA 1.284 53.236 52.037 -0.141 0.000 0.661 122 A CB -0.560 18.203 19.000 -0.397 0.000 0.801 122 A HN 0.410 nan 8.150 nan 0.000 0.452 123 K N -0.418 119.993 120.400 0.018 0.000 2.211 123 K HA -0.192 4.128 4.320 -0.000 0.000 0.204 123 K C 2.173 178.812 176.600 0.064 0.000 1.047 123 K CA 1.513 57.830 56.287 0.049 0.000 0.935 123 K CB -0.144 32.385 32.500 0.048 0.000 0.728 123 K HN 0.633 nan 8.250 nan 0.000 0.452 124 Q N -0.266 119.564 119.800 0.050 0.000 2.084 124 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 124 Q C 2.466 178.375 176.000 -0.152 0.000 0.978 124 Q CA 1.702 57.526 55.803 0.036 0.000 0.844 124 Q CB -0.184 28.584 28.738 0.051 0.000 0.898 124 Q HN 0.595 nan 8.270 nan 0.000 0.426 125 C N -2.151 117.035 119.300 -0.190 0.000 2.618 125 C HA 0.483 4.943 4.460 -0.000 0.000 0.264 125 C C 1.540 176.494 174.990 -0.060 0.000 1.334 125 C CA -0.034 58.874 59.018 -0.184 0.000 1.731 125 C CB -0.696 26.913 27.740 -0.219 0.000 1.852 125 C HN 0.630 nan 8.230 nan 0.000 0.566 126 G N 0.779 109.576 108.800 -0.005 0.000 2.147 126 G HA2 0.127 4.087 3.960 -0.000 0.000 0.244 126 G HA3 0.127 4.087 3.960 -0.000 0.000 0.244 126 G C 0.225 175.151 174.900 0.043 0.000 1.005 126 G CA 0.359 45.480 45.100 0.035 0.000 0.713 126 G HN 1.461 nan 8.290 nan 0.000 0.515 127 A N -0.526 122.333 122.820 0.066 0.000 2.386 127 A HA 0.673 4.993 4.320 -0.000 0.000 0.248 127 A C 0.664 178.325 177.584 0.129 0.000 1.082 127 A CA 0.642 52.749 52.037 0.118 0.000 0.789 127 A CB 0.505 19.624 19.000 0.198 0.000 1.025 127 A HN 0.896 nan 8.150 nan 0.000 0.490 128 K N 0.822 121.238 120.400 0.026 0.000 2.297 128 K HA 0.292 4.612 4.320 -0.000 0.000 0.286 128 K C -0.697 175.668 176.600 -0.391 0.000 1.053 128 K CA -0.119 56.051 56.287 -0.195 0.000 0.940 128 K CB 0.461 32.775 32.500 -0.310 0.000 1.019 128 K HN 0.654 nan 8.250 nan 0.000 0.475 129 C N 7.201 126.187 119.300 -0.523 0.000 2.265 129 C HA 0.500 4.960 4.460 -0.000 0.000 0.332 129 C C -1.096 173.441 174.990 -0.754 0.000 1.248 129 C CA -0.636 57.834 59.018 -0.913 0.000 1.727 129 C CB -1.342 26.053 27.740 -0.575 0.000 2.348 129 C HN 0.743 nan 8.230 nan 0.000 0.519 130 Y N 4.646 124.630 120.300 -0.527 0.000 2.328 130 Y HA 0.505 5.055 4.550 -0.000 0.000 0.337 130 Y C 0.614 176.333 175.900 -0.302 0.000 1.008 130 Y CA -0.096 57.792 58.100 -0.353 0.000 1.129 130 Y CB 0.973 39.238 38.460 -0.326 0.000 1.185 130 Y HN 0.533 nan 8.280 nan 0.000 0.476 131 K N 1.821 122.177 120.400 -0.073 0.000 2.324 131 K HA 0.411 4.731 4.320 -0.000 0.000 0.253 131 K C -0.349 176.186 176.600 -0.107 0.000 0.932 131 K CA -0.980 55.246 56.287 -0.102 0.000 0.799 131 K CB 1.714 34.174 32.500 -0.068 0.000 1.154 131 K HN 0.700 nan 8.250 nan 0.000 0.425 132 T N -0.402 114.036 114.554 -0.195 0.000 2.856 132 T HA -0.002 4.348 4.350 -0.000 0.000 0.306 132 T C 1.209 175.863 174.700 -0.077 0.000 1.062 132 T CA -0.485 61.512 62.100 -0.173 0.000 1.083 132 T CB 0.818 69.532 68.868 -0.256 0.000 0.984 132 T HN 0.400 nan 8.240 nan 0.000 0.542 133 Q N 0.794 120.567 119.800 -0.044 0.000 2.084 133 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 133 Q C 1.433 177.427 176.000 -0.009 0.000 0.978 133 Q CA 1.014 56.807 55.803 -0.017 0.000 0.844 133 Q CB -0.676 28.058 28.738 -0.006 0.000 0.898 133 Q HN 0.788 nan 8.270 nan 0.000 0.426 134 S N 0.823 116.519 115.700 -0.007 0.000 2.533 134 S HA 0.067 4.537 4.470 -0.000 0.000 0.282 134 S C 1.551 176.156 174.600 0.008 0.000 1.304 134 S CA -0.395 57.811 58.200 0.010 0.000 1.063 134 S CB 0.262 63.481 63.200 0.033 0.000 0.881 134 S HN 0.326 nan 8.310 nan 0.000 0.493 135 I N 3.206 123.786 120.570 0.017 0.000 2.353 135 I HA 0.058 4.228 4.170 -0.000 0.000 0.248 135 I C 1.093 177.231 176.117 0.036 0.000 1.119 135 I CA 0.366 61.683 61.300 0.028 0.000 1.417 135 I CB -1.223 36.806 38.000 0.048 0.000 1.078 135 I HN 0.600 nan 8.210 nan 0.000 0.421 136 T N -0.228 114.359 114.554 0.056 0.000 2.899 136 T HA 0.207 4.557 4.350 -0.000 0.000 0.295 136 T C -0.188 174.580 174.700 0.113 0.000 1.033 136 T CA -0.344 61.819 62.100 0.104 0.000 1.084 136 T CB 0.403 69.332 68.868 0.102 0.000 0.979 136 T HN 0.249 nan 8.240 nan 0.000 0.532 137 H N 1.948 121.092 119.070 0.123 0.000 3.004 137 H HA 0.296 4.852 4.556 -0.000 0.000 0.316 137 H C 0.605 175.976 175.328 0.071 0.000 1.014 137 H CA 0.598 56.721 56.048 0.124 0.000 1.454 137 H CB 0.178 29.902 29.762 -0.063 0.000 1.472 137 H HN 0.578 nan 8.280 nan 0.000 0.571 138 N N 3.832 122.679 118.700 0.245 0.000 2.480 138 N HA 0.001 4.741 4.740 -0.000 0.000 0.289 138 N C 0.558 176.169 175.510 0.169 0.000 1.073 138 N CA -0.489 52.657 53.050 0.160 0.000 0.885 138 N CB 1.314 39.883 38.487 0.136 0.000 1.421 138 N HN 0.402 nan 8.380 nan 0.000 0.503 139 L N 3.907 125.169 121.223 0.066 0.000 1.990 139 L HA -0.124 4.216 4.340 -0.000 0.000 0.213 139 L C 1.614 178.571 176.870 0.146 0.000 1.072 139 L CA 2.068 56.943 54.840 0.057 0.000 0.755 139 L CB -0.500 41.589 42.059 0.051 0.000 0.889 139 L HN 0.648 nan 8.230 nan 0.000 0.432 140 D N -0.866 119.608 120.400 0.125 0.000 2.117 140 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 140 D C 1.949 178.327 176.300 0.130 0.000 0.987 140 D CA 1.529 55.604 54.000 0.124 0.000 0.829 140 D CB 0.196 41.047 40.800 0.085 0.000 0.961 140 D HN 0.590 nan 8.370 nan 0.000 0.460 141 E N -0.227 120.046 120.200 0.122 0.000 2.072 141 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 141 E C 2.121 178.760 176.600 0.066 0.000 0.985 141 E CA 0.461 56.906 56.400 0.074 0.000 0.801 141 E CB -0.148 29.576 29.700 0.040 0.000 0.750 141 E HN 0.258 nan 8.360 nan 0.000 0.452 142 F N 1.863 121.794 119.950 -0.032 0.000 2.069 142 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 142 F C 2.359 178.289 175.800 0.216 0.000 1.113 142 F CA 1.529 59.466 58.000 -0.105 0.000 1.214 142 F CB -0.156 38.487 39.000 -0.594 0.000 0.978 142 F HN -0.124 nan 8.300 nan 0.000 0.474 143 K N 0.160 120.843 120.400 0.472 0.000 2.044 143 K HA -0.255 4.064 4.320 -0.000 0.000 0.210 143 K C 2.450 179.233 176.600 0.305 0.000 1.049 143 K CA 2.181 58.757 56.287 0.482 0.000 0.927 143 K CB -0.520 32.173 32.500 0.321 0.000 0.713 143 K HN 0.278 nan 8.250 nan 0.000 0.443 144 K N 1.066 121.573 120.400 0.179 0.000 2.062 144 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 144 K C 1.956 178.576 176.600 0.032 0.000 1.051 144 K CA 1.339 57.674 56.287 0.080 0.000 0.941 144 K CB -0.833 31.695 32.500 0.046 0.000 0.719 144 K HN 0.063 nan 8.250 nan 0.000 0.440 145 L N -0.515 120.735 121.223 0.045 0.000 2.072 145 L HA 0.055 4.395 4.340 -0.000 0.000 0.205 145 L C 2.439 179.338 176.870 0.048 0.000 1.079 145 L CA 1.763 56.607 54.840 0.008 0.000 0.752 145 L CB -0.567 41.466 42.059 -0.043 0.000 0.906 145 L HN 0.565 nan 8.230 nan 0.000 0.436 146 Y N 0.443 120.786 120.300 0.071 0.000 2.145 146 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 146 Y C 2.575 178.496 175.900 0.035 0.000 1.145 146 Y CA 2.160 60.332 58.100 0.120 0.000 1.148 146 Y CB -0.228 38.421 38.460 0.314 0.000 0.981 146 Y HN 0.386 nan 8.280 nan 0.000 0.507 147 E N -0.296 119.836 120.200 -0.114 0.000 2.058 147 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 147 E C 2.088 178.507 176.600 -0.301 0.000 0.997 147 E CA 2.352 58.626 56.400 -0.210 0.000 0.801 147 E CB -0.585 29.094 29.700 -0.035 0.000 0.746 147 E HN 0.492 nan 8.360 nan 0.000 0.450 148 T N 0.034 114.393 114.554 -0.324 0.000 2.759 148 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 148 T C 0.711 175.001 174.700 -0.684 0.000 1.042 148 T CA 1.575 63.364 62.100 -0.519 0.000 1.140 148 T CB -0.273 68.179 68.868 -0.694 0.000 0.864 148 T HN 0.307 nan 8.240 nan 0.000 0.455 149 H N -0.024 118.833 119.070 -0.355 0.000 2.475 149 H HA 0.353 4.909 4.556 -0.000 0.000 0.276 149 H C 1.568 176.688 175.328 -0.346 0.000 1.126 149 H CA -0.252 55.579 56.048 -0.362 0.000 1.023 149 H CB 0.224 29.616 29.762 -0.617 0.000 1.669 149 H HN 0.320 nan 8.280 nan 0.000 0.573 150 K N 1.307 121.471 120.400 -0.394 0.000 2.113 150 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 150 K C 1.720 178.205 176.600 -0.192 0.000 1.047 150 K CA 1.987 57.953 56.287 -0.535 0.000 0.928 150 K CB 0.243 32.447 32.500 -0.495 0.000 0.716 150 K HN 0.363 nan 8.250 nan 0.000 0.446 151 D N -1.492 118.849 120.400 -0.100 0.000 2.317 151 D HA -0.106 4.534 4.640 -0.000 0.000 0.211 151 D C 1.688 178.006 176.300 0.031 0.000 0.966 151 D CA 0.995 54.983 54.000 -0.020 0.000 0.876 151 D CB -0.017 40.775 40.800 -0.013 0.000 0.927 151 D HN 0.599 nan 8.370 nan 0.000 0.519 152 E N -0.684 119.548 120.200 0.054 0.000 2.244 152 E HA 0.169 4.519 4.350 -0.000 0.000 0.196 152 E C 0.528 177.218 176.600 0.150 0.000 0.939 152 E CA -0.257 56.212 56.400 0.114 0.000 0.884 152 E CB 0.299 30.102 29.700 0.171 0.000 0.850 152 E HN 0.443 nan 8.360 nan 0.000 0.481 153 I N 2.704 123.368 120.570 0.157 0.000 2.421 153 I HA 0.008 4.178 4.170 -0.000 0.000 0.291 153 I C 0.738 176.998 176.117 0.237 0.000 1.089 153 I CA 0.131 61.575 61.300 0.240 0.000 1.354 153 I CB 0.796 38.987 38.000 0.319 0.000 1.413 153 I HN -0.054 nan 8.210 nan 0.000 0.513 154 K N 6.631 127.150 120.400 0.199 0.000 2.374 154 K HA 0.420 4.740 4.320 -0.000 0.000 0.202 154 K C -0.358 176.308 176.600 0.109 0.000 1.040 154 K CA 0.088 56.462 56.287 0.145 0.000 1.085 154 K CB 1.057 33.623 32.500 0.110 0.000 0.873 154 K HN 0.506 nan 8.250 nan 0.000 0.539 155 L N 0.724 122.025 121.223 0.130 0.000 2.513 155 L HA 0.511 4.851 4.340 -0.000 0.000 0.261 155 L C -1.761 175.139 176.870 0.050 0.000 0.945 155 L CA -0.690 54.156 54.840 0.010 0.000 0.848 155 L CB 1.766 43.775 42.059 -0.083 0.000 1.334 155 L HN -0.120 nan 8.230 nan 0.000 0.407 156 I N 3.561 124.088 120.570 -0.071 0.000 2.498 156 I HA 0.398 4.567 4.170 -0.000 0.000 0.290 156 I C -1.266 174.769 176.117 -0.138 0.000 1.032 156 I CA -0.419 60.924 61.300 0.071 0.000 1.073 156 I CB 2.092 40.232 38.000 0.233 0.000 1.251 156 I HN 0.377 nan 8.210 nan 0.000 0.426 157 F N 6.057 126.115 119.950 0.180 0.000 2.427 157 F HA 0.533 5.060 4.527 -0.000 0.000 0.346 157 F C -0.205 175.695 175.800 0.168 0.000 1.120 157 F CA -0.506 57.503 58.000 0.015 0.000 1.033 157 F CB 1.328 40.170 39.000 -0.264 0.000 1.126 157 F HN 0.108 nan 8.300 nan 0.000 0.462 158 L N 4.194 125.556 121.223 0.232 0.000 2.342 158 L HA 0.361 4.701 4.340 -0.000 0.000 0.276 158 L C -0.918 175.994 176.870 0.070 0.000 0.997 158 L CA -0.511 54.385 54.840 0.094 0.000 0.838 158 L CB 1.626 43.614 42.059 -0.118 0.000 1.224 158 L HN 0.634 nan 8.230 nan 0.000 0.416 159 C N 6.411 125.762 119.300 0.084 0.000 2.200 159 C HA 0.524 4.984 4.460 -0.000 0.000 0.328 159 C C 0.121 174.993 174.990 -0.198 0.000 1.148 159 C CA -0.421 58.655 59.018 0.098 0.000 1.624 159 C CB -0.980 27.002 27.740 0.404 0.000 2.167 159 C HN 0.645 nan 8.230 nan 0.000 0.484 160 L N 9.399 130.550 121.223 -0.120 0.000 2.366 160 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 160 L C -2.058 174.807 176.870 -0.008 0.000 1.010 160 L CA -1.403 53.354 54.840 -0.139 0.000 0.879 160 L CB 1.299 43.260 42.059 -0.164 0.000 1.228 160 L HN 0.442 nan 8.230 nan 0.000 0.439 161 P HA 0.106 nan 4.420 nan 0.000 0.276 161 P C -0.890 176.415 177.300 0.008 0.000 1.261 161 P CA -0.580 62.520 63.100 -0.001 0.000 0.800 161 P CB 1.045 32.780 31.700 0.058 0.000 1.066 162 N N 1.124 119.825 118.700 0.001 0.000 2.444 162 N HA 0.110 4.850 4.740 -0.000 0.000 0.271 162 N C -0.583 174.982 175.510 0.092 0.000 1.069 162 N CA -0.136 52.975 53.050 0.101 0.000 0.965 162 N CB -0.357 38.271 38.487 0.235 0.000 1.092 162 N HN 0.276 nan 8.380 nan 0.000 0.476 163 N N 3.395 122.138 118.700 0.071 0.000 2.408 163 N HA 0.451 5.190 4.740 -0.000 0.000 0.280 163 N C -2.351 173.118 175.510 -0.068 0.000 1.002 163 N CA -2.038 51.003 53.050 -0.015 0.000 0.907 163 N CB 1.792 40.195 38.487 -0.139 0.000 1.161 163 N HN 0.394 nan 8.380 nan 0.000 0.488 164 P HA 0.183 nan 4.420 nan 0.000 0.272 164 P C 0.495 177.729 177.300 -0.110 0.000 1.408 164 P CA 0.155 63.007 63.100 -0.412 0.000 0.996 164 P CB 0.439 31.712 31.700 -0.712 0.000 1.481 165 L N -1.331 119.950 121.223 0.096 0.000 2.298 165 L HA 0.292 4.632 4.340 -0.000 0.000 0.209 165 L C 1.894 178.915 176.870 0.251 0.000 1.084 165 L CA 1.238 56.194 54.840 0.195 0.000 0.816 165 L CB -0.875 41.293 42.059 0.181 0.000 0.967 165 L HN 0.130 nan 8.230 nan 0.000 0.460 166 G N 0.197 109.108 108.800 0.185 0.000 2.194 166 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.236 166 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.236 166 G C 0.347 175.281 174.900 0.056 0.000 0.987 166 G CA 0.323 45.379 45.100 -0.073 0.000 0.635 166 G HN 0.402 nan 8.290 nan 0.000 0.520 167 E N 0.237 120.519 120.200 0.136 0.000 2.397 167 E HA 0.514 4.864 4.350 -0.000 0.000 0.254 167 E C -0.311 176.316 176.600 0.046 0.000 1.231 167 E CA -0.050 56.450 56.400 0.166 0.000 0.954 167 E CB 1.420 31.202 29.700 0.137 0.000 1.024 167 E HN 0.732 nan 8.360 nan 0.000 0.481 168 C N 2.269 121.499 119.300 -0.116 0.000 2.832 168 C HA 0.400 4.860 4.460 -0.000 0.000 0.383 168 C C -0.314 174.500 174.990 -0.292 0.000 1.046 168 C CA -0.732 58.130 59.018 -0.260 0.000 1.242 168 C CB -0.249 27.260 27.740 -0.385 0.000 1.693 168 C HN 0.747 nan 8.230 nan 0.000 0.497 169 L N 4.154 125.242 121.223 -0.225 0.000 2.464 169 L HA 0.299 4.639 4.340 -0.000 0.000 0.264 169 L C 0.432 177.196 176.870 -0.178 0.000 1.199 169 L CA 0.048 54.782 54.840 -0.178 0.000 0.818 169 L CB 0.360 42.315 42.059 -0.172 0.000 1.102 169 L HN 0.605 nan 8.230 nan 0.000 0.473 170 D N 0.467 120.790 120.400 -0.128 0.000 2.382 170 D HA 0.106 4.746 4.640 -0.000 0.000 0.240 170 D C 0.775 177.037 176.300 -0.062 0.000 1.146 170 D CA 0.273 54.218 54.000 -0.091 0.000 0.897 170 D CB 1.414 42.184 40.800 -0.050 0.000 1.197 170 D HN 0.623 nan 8.370 nan 0.000 0.432 171 A N 1.821 124.621 122.820 -0.033 0.000 1.917 171 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 171 A C 2.117 179.708 177.584 0.011 0.000 1.182 171 A CA 2.419 54.451 52.037 -0.009 0.000 0.633 171 A CB -0.772 18.238 19.000 0.016 0.000 0.819 171 A HN 0.601 nan 8.150 nan 0.000 0.448 172 S N 0.007 115.717 115.700 0.017 0.000 2.383 172 S HA -0.235 4.235 4.470 -0.000 0.000 0.229 172 S C 1.655 176.275 174.600 0.034 0.000 1.030 172 S CA 1.550 59.770 58.200 0.034 0.000 1.002 172 S CB -0.550 62.667 63.200 0.028 0.000 0.829 172 S HN 0.702 nan 8.310 nan 0.000 0.467 173 E N 1.772 121.978 120.200 0.011 0.000 2.072 173 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 173 E C 2.508 179.120 176.600 0.020 0.000 0.985 173 E CA 0.916 57.324 56.400 0.013 0.000 0.801 173 E CB -0.441 29.247 29.700 -0.020 0.000 0.750 173 E HN 0.700 nan 8.360 nan 0.000 0.452 174 A N 1.011 123.821 122.820 -0.017 0.000 1.877 174 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 174 A C 2.411 180.005 177.584 0.016 0.000 1.186 174 A CA 1.986 54.008 52.037 -0.025 0.000 0.620 174 A CB -1.019 17.941 19.000 -0.067 0.000 0.822 174 A HN 0.169 nan 8.150 nan 0.000 0.443 175 T N -0.541 114.035 114.554 0.038 0.000 2.720 175 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 175 T C 1.874 176.638 174.700 0.108 0.000 1.037 175 T CA 1.715 63.877 62.100 0.104 0.000 1.144 175 T CB -0.263 68.716 68.868 0.184 0.000 0.864 175 T HN 0.741 nan 8.240 nan 0.000 0.444 176 E N -0.071 120.186 120.200 0.096 0.000 2.085 176 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 176 E C 1.957 178.608 176.600 0.085 0.000 0.994 176 E CA 1.107 57.563 56.400 0.093 0.000 0.801 176 E CB -0.277 29.475 29.700 0.086 0.000 0.743 176 E HN 0.532 nan 8.360 nan 0.000 0.453 177 F N 1.234 121.154 119.950 -0.049 0.000 2.113 177 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 177 F C 1.932 177.648 175.800 -0.139 0.000 1.103 177 F CA 1.489 59.447 58.000 -0.070 0.000 1.248 177 F CB -0.244 38.697 39.000 -0.098 0.000 0.999 177 F HN 0.006 nan 8.300 nan 0.000 0.475 178 I N 0.495 120.862 120.570 -0.338 0.000 2.454 178 I HA -0.302 3.867 4.170 -0.000 0.000 0.254 178 I C 2.218 178.051 176.117 -0.473 0.000 1.156 178 I CA 1.262 62.183 61.300 -0.632 0.000 1.433 178 I CB -0.550 36.904 38.000 -0.910 0.000 1.082 178 I HN 0.143 nan 8.210 nan 0.000 0.432 179 K N 0.709 121.019 120.400 -0.151 0.000 2.152 179 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 179 K C 1.913 178.484 176.600 -0.050 0.000 1.048 179 K CA 1.451 57.784 56.287 0.077 0.000 0.933 179 K CB -0.393 32.182 32.500 0.124 0.000 0.721 179 K HN 0.450 nan 8.250 nan 0.000 0.447 180 G N 0.756 109.449 108.800 -0.178 0.000 3.088 180 G HA2 0.087 4.047 3.960 -0.000 0.000 0.212 180 G HA3 0.087 4.047 3.960 -0.000 0.000 0.212 180 G C 0.178 174.963 174.900 -0.193 0.000 1.173 180 G CA -0.225 44.791 45.100 -0.140 0.000 0.779 180 G HN -0.035 nan 8.290 nan 0.000 0.540 181 V N 1.304 120.989 119.914 -0.382 0.000 2.509 181 V HA 0.175 4.295 4.120 -0.000 0.000 0.284 181 V C 0.475 176.507 176.094 -0.104 0.000 1.047 181 V CA -1.318 60.710 62.300 -0.453 0.000 0.952 181 V CB 1.466 32.864 31.823 -0.709 0.000 0.988 181 V HN 0.348 nan 8.190 nan 0.000 0.469 182 N N 2.841 121.595 118.700 0.089 0.000 2.441 182 N HA -0.009 4.731 4.740 -0.000 0.000 0.251 182 N C 0.801 176.339 175.510 0.046 0.000 1.242 182 N CA -0.262 52.846 53.050 0.097 0.000 0.898 182 N CB 1.151 39.731 38.487 0.155 0.000 1.100 182 N HN 0.655 nan 8.380 nan 0.000 0.443 183 E N 0.999 121.224 120.200 0.041 0.000 2.333 183 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 183 E C 0.290 176.910 176.600 0.033 0.000 1.007 183 E CA 0.973 57.393 56.400 0.033 0.000 0.845 183 E CB 0.041 29.759 29.700 0.030 0.000 0.766 183 E HN 0.559 nan 8.360 nan 0.000 0.507 184 D N -1.090 119.337 120.400 0.045 0.000 2.342 184 D HA 0.012 4.652 4.640 -0.000 0.000 0.221 184 D C -0.952 175.385 176.300 0.061 0.000 1.101 184 D CA -0.111 53.918 54.000 0.048 0.000 0.837 184 D CB 0.080 40.909 40.800 0.049 0.000 0.938 184 D HN 0.085 nan 8.370 nan 0.000 0.508 185 C N 1.014 120.351 119.300 0.062 0.000 2.298 185 C HA 0.624 5.084 4.460 -0.000 0.000 0.323 185 C C -0.437 174.560 174.990 0.012 0.000 1.284 185 C CA -1.155 57.903 59.018 0.067 0.000 1.577 185 C CB -0.562 27.254 27.740 0.127 0.000 2.249 185 C HN 0.254 nan 8.230 nan 0.000 0.497 186 L N 7.440 128.669 121.223 0.009 0.000 2.281 186 L HA 0.552 4.892 4.340 -0.000 0.000 0.285 186 L C -0.328 176.505 176.870 -0.062 0.000 1.074 186 L CA 0.412 55.241 54.840 -0.017 0.000 0.817 186 L CB 1.172 43.237 42.059 0.009 0.000 1.168 186 L HN 0.569 nan 8.230 nan 0.000 0.434 187 V N 6.536 126.406 119.914 -0.074 0.000 2.348 187 V HA 0.289 4.409 4.120 -0.000 0.000 0.270 187 V C -0.101 175.939 176.094 -0.090 0.000 1.037 187 V CA -0.653 61.594 62.300 -0.088 0.000 0.872 187 V CB 1.302 33.059 31.823 -0.110 0.000 1.002 187 V HN 0.511 nan 8.190 nan 0.000 0.464 188 V N 7.044 126.863 119.914 -0.158 0.000 2.348 188 V HA 0.381 4.501 4.120 -0.000 0.000 0.270 188 V C 0.188 176.248 176.094 -0.056 0.000 1.037 188 V CA -0.248 61.974 62.300 -0.129 0.000 0.872 188 V CB 1.114 32.764 31.823 -0.288 0.000 1.002 188 V HN 0.655 nan 8.190 nan 0.000 0.464 189 I N 4.063 124.607 120.570 -0.044 0.000 2.291 189 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 189 I C 0.118 176.155 176.117 -0.132 0.000 1.050 189 I CA -0.211 61.047 61.300 -0.070 0.000 1.245 189 I CB 0.942 38.901 38.000 -0.067 0.000 1.405 189 I HN 0.513 nan 8.210 nan 0.000 0.478 190 D N 6.657 127.039 120.400 -0.031 0.000 2.374 190 D HA 0.242 4.882 4.640 -0.000 0.000 0.240 190 D C 0.466 176.696 176.300 -0.118 0.000 1.229 190 D CA -0.060 53.928 54.000 -0.020 0.000 0.895 190 D CB 1.257 42.194 40.800 0.229 0.000 1.046 190 D HN 0.616 nan 8.370 nan 0.000 0.498 191 A N 3.449 126.061 122.820 -0.347 0.000 2.684 191 A HA 0.471 4.791 4.320 -0.000 0.000 0.288 191 A C 1.718 179.177 177.584 -0.209 0.000 1.337 191 A CA 0.270 52.111 52.037 -0.328 0.000 0.946 191 A CB -0.046 18.520 19.000 -0.723 0.000 1.093 191 A HN 0.550 nan 8.150 nan 0.000 0.543 192 A N -0.591 122.115 122.820 -0.190 0.000 1.986 192 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 192 A C 1.359 178.738 177.584 -0.340 0.000 1.171 192 A CA 1.608 53.449 52.037 -0.326 0.000 0.640 192 A CB -0.539 18.177 19.000 -0.473 0.000 0.811 192 A HN 0.661 nan 8.150 nan 0.000 0.451 193 Y N -1.349 119.002 120.300 0.084 0.000 2.612 193 Y HA 0.208 4.758 4.550 -0.000 0.000 0.250 193 Y C 1.679 177.740 175.900 0.268 0.000 1.175 193 Y CA -0.329 57.921 58.100 0.249 0.000 1.205 193 Y CB -0.166 38.388 38.460 0.156 0.000 1.201 193 Y HN 0.358 nan 8.280 nan 0.000 0.532 194 N N 1.156 120.012 118.700 0.261 0.000 2.381 194 N HA -0.162 4.578 4.740 -0.000 0.000 0.182 194 N C 0.901 176.581 175.510 0.284 0.000 1.025 194 N CA 1.045 54.245 53.050 0.251 0.000 0.888 194 N CB 0.381 38.978 38.487 0.183 0.000 0.965 194 N HN 0.455 nan 8.380 nan 0.000 0.438 195 E N -0.275 120.043 120.200 0.197 0.000 2.110 195 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 195 E C 1.495 178.145 176.600 0.084 0.000 0.988 195 E CA 1.140 57.590 56.400 0.083 0.000 0.804 195 E CB -0.246 29.369 29.700 -0.142 0.000 0.745 195 E HN 0.383 nan 8.360 nan 0.000 0.458 196 F N 0.594 120.697 119.950 0.255 0.000 2.113 196 F HA -0.062 4.465 4.527 -0.000 0.000 0.297 196 F C 2.358 178.454 175.800 0.493 0.000 1.103 196 F CA 1.027 59.253 58.000 0.377 0.000 1.248 196 F CB -0.793 38.357 39.000 0.251 0.000 0.999 196 F HN 0.029 nan 8.300 nan 0.000 0.475 197 A N -0.403 122.758 122.820 0.568 0.000 1.902 197 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 197 A C 2.355 180.141 177.584 0.337 0.000 1.181 197 A CA 2.048 54.363 52.037 0.463 0.000 0.623 197 A CB -1.124 18.066 19.000 0.317 0.000 0.818 197 A HN 0.323 nan 8.150 nan 0.000 0.443 198 S N -1.189 114.700 115.700 0.314 0.000 2.382 198 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 198 S C 1.629 176.330 174.600 0.168 0.000 1.027 198 S CA 1.479 59.828 58.200 0.249 0.000 0.991 198 S CB -0.473 62.913 63.200 0.309 0.000 0.823 198 S HN 0.636 nan 8.310 nan 0.000 0.469 199 F N 2.271 122.262 119.950 0.068 0.000 2.206 199 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 199 F C 2.187 177.881 175.800 -0.176 0.000 1.090 199 F CA 1.331 59.328 58.000 -0.005 0.000 1.323 199 F CB -0.154 38.915 39.000 0.116 0.000 1.028 199 F HN 0.012 nan 8.300 nan 0.000 0.492 200 K N -0.478 119.824 120.400 -0.164 0.000 2.097 200 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 200 K C -0.427 176.079 176.600 -0.158 0.000 1.050 200 K CA 1.533 57.547 56.287 -0.455 0.000 0.938 200 K CB 0.013 32.081 32.500 -0.720 0.000 0.718 200 K HN 0.217 nan 8.250 nan 0.000 0.442 201 D N -0.948 119.454 120.400 0.004 0.000 2.591 201 D HA 0.020 4.660 4.640 -0.000 0.000 0.222 201 D C 0.155 176.481 176.300 0.045 0.000 1.360 201 D CA -0.140 53.883 54.000 0.039 0.000 0.967 201 D CB 1.648 42.542 40.800 0.157 0.000 1.456 201 D HN 0.092 nan 8.370 nan 0.000 0.588 202 S N 3.239 118.943 115.700 0.006 0.000 2.442 202 S HA -0.164 4.306 4.470 -0.000 0.000 0.236 202 S C 1.400 176.043 174.600 0.072 0.000 1.007 202 S CA 0.721 58.939 58.200 0.029 0.000 0.965 202 S CB -0.135 63.054 63.200 -0.019 0.000 0.773 202 S HN 0.497 nan 8.310 nan 0.000 0.504 203 K N 0.787 121.211 120.400 0.040 0.000 2.442 203 K HA 0.067 4.387 4.320 -0.000 0.000 0.198 203 K C 1.480 178.092 176.600 0.019 0.000 1.042 203 K CA 0.728 57.032 56.287 0.029 0.000 0.958 203 K CB 0.025 32.528 32.500 0.005 0.000 0.766 203 K HN 0.266 nan 8.250 nan 0.000 0.474 204 K N 0.124 120.542 120.400 0.029 0.000 2.361 204 K HA 0.009 4.329 4.320 -0.000 0.000 0.194 204 K C 0.175 176.828 176.600 0.089 0.000 1.032 204 K CA 0.145 56.431 56.287 -0.001 0.000 1.048 204 K CB -0.148 32.319 32.500 -0.056 0.000 0.842 204 K HN 0.196 nan 8.250 nan 0.000 0.526 205 H N 1.097 120.198 119.070 0.050 0.000 2.886 205 H HA 0.152 4.708 4.556 -0.000 0.000 0.329 205 H C -0.518 174.869 175.328 0.098 0.000 1.044 205 H CA 0.227 56.329 56.048 0.090 0.000 1.456 205 H CB 0.146 29.959 29.762 0.085 0.000 1.464 205 H HN -0.089 nan 8.280 nan 0.000 0.573 206 L N 4.610 125.564 121.223 -0.449 0.000 2.317 206 L HA 0.291 4.631 4.340 -0.000 0.000 0.281 206 L C -0.149 176.429 176.870 -0.487 0.000 1.024 206 L CA -0.689 53.992 54.840 -0.265 0.000 0.810 206 L CB 1.497 43.594 42.059 0.064 0.000 1.240 206 L HN 0.657 nan 8.230 nan 0.000 0.427 207 E N 4.554 124.603 120.200 -0.253 0.000 2.149 207 E HA 0.314 4.664 4.350 -0.000 0.000 0.255 207 E C -2.043 174.463 176.600 -0.156 0.000 0.888 207 E CA -2.039 54.267 56.400 -0.158 0.000 0.742 207 E CB 1.492 31.198 29.700 0.010 0.000 1.164 207 E HN 0.172 nan 8.360 nan 0.000 0.422 208 P HA -0.255 nan 4.420 nan 0.000 0.216 208 P C 1.198 178.409 177.300 -0.149 0.000 1.154 208 P CA 1.529 64.389 63.100 -0.400 0.000 0.865 208 P CB -0.010 31.207 31.700 -0.805 0.000 0.789 209 C N -1.418 117.837 119.300 -0.075 0.000 2.435 209 C HA -0.018 4.442 4.460 -0.000 0.000 0.279 209 C C 2.277 177.258 174.990 -0.015 0.000 1.321 209 C CA 0.403 59.409 59.018 -0.021 0.000 1.752 209 C CB -1.811 25.938 27.740 0.015 0.000 1.959 209 C HN 0.220 nan 8.230 nan 0.000 0.500 210 E N 1.099 121.293 120.200 -0.010 0.000 2.112 210 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 210 E C 2.251 178.857 176.600 0.010 0.000 0.979 210 E CA 0.920 57.316 56.400 -0.006 0.000 0.814 210 E CB -0.175 29.531 29.700 0.010 0.000 0.762 210 E HN 0.667 nan 8.360 nan 0.000 0.460 211 L N 1.234 122.490 121.223 0.056 0.000 2.017 211 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 211 L C 2.698 179.672 176.870 0.173 0.000 1.073 211 L CA 1.138 56.088 54.840 0.183 0.000 0.745 211 L CB -0.538 41.617 42.059 0.161 0.000 0.894 211 L HN 0.258 nan 8.230 nan 0.000 0.432 212 I N -2.735 117.878 120.570 0.072 0.000 2.761 212 I HA -0.167 4.003 4.170 -0.000 0.000 0.261 212 I C 2.468 178.588 176.117 0.004 0.000 1.198 212 I CA 1.109 62.441 61.300 0.054 0.000 1.482 212 I CB -0.336 37.680 38.000 0.026 0.000 1.100 212 I HN 0.203 nan 8.210 nan 0.000 0.445 213 K N 1.719 122.100 120.400 -0.031 0.000 2.031 213 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 213 K C 1.927 178.442 176.600 -0.141 0.000 1.049 213 K CA 1.776 58.022 56.287 -0.068 0.000 0.939 213 K CB 0.000 32.462 32.500 -0.064 0.000 0.717 213 K HN 0.454 nan 8.250 nan 0.000 0.438 214 E N -0.879 119.172 120.200 -0.248 0.000 2.158 214 E HA -0.039 4.310 4.350 -0.000 0.000 0.191 214 E C -0.378 175.762 176.600 -0.767 0.000 0.982 214 E CA 0.538 56.596 56.400 -0.570 0.000 0.823 214 E CB 0.192 29.386 29.700 -0.843 0.000 0.766 214 E HN 0.106 nan 8.360 nan 0.000 0.468 215 F N 0.369 120.305 119.950 -0.023 0.000 2.507 215 F HA 0.239 4.766 4.527 -0.000 0.000 0.328 215 F C 0.259 176.043 175.800 -0.027 0.000 1.136 215 F CA -1.053 56.931 58.000 -0.027 0.000 0.930 215 F CB 1.622 40.605 39.000 -0.028 0.000 1.166 215 F HN -0.253 nan 8.300 nan 0.000 0.436 216 D N 0.836 121.318 120.400 0.138 0.000 2.339 216 D HA -0.017 4.623 4.640 -0.000 0.000 0.217 216 D C 0.892 177.224 176.300 0.053 0.000 1.050 216 D CA 0.567 54.606 54.000 0.065 0.000 0.856 216 D CB -0.012 40.804 40.800 0.026 0.000 0.922 216 D HN 0.437 nan 8.370 nan 0.000 0.518 217 N N -0.024 118.723 118.700 0.078 0.000 2.275 217 N HA 0.032 4.771 4.740 -0.000 0.000 0.236 217 N C -0.493 175.020 175.510 0.005 0.000 1.154 217 N CA -0.185 52.879 53.050 0.024 0.000 0.866 217 N CB 0.473 38.962 38.487 0.004 0.000 1.093 217 N HN -0.178 nan 8.380 nan 0.000 0.515 218 V N 1.241 121.179 119.914 0.040 0.000 2.513 218 V HA 0.445 4.565 4.120 -0.000 0.000 0.299 218 V C -0.766 175.358 176.094 0.050 0.000 1.035 218 V CA -0.989 61.325 62.300 0.023 0.000 0.889 218 V CB 1.954 33.807 31.823 0.051 0.000 0.988 218 V HN 0.218 nan 8.190 nan 0.000 0.440 219 L N 5.645 126.900 121.223 0.054 0.000 2.325 219 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 219 L C -1.082 175.860 176.870 0.119 0.000 1.004 219 L CA -0.391 54.512 54.840 0.105 0.000 0.823 219 L CB 1.218 43.366 42.059 0.150 0.000 1.236 219 L HN 0.643 nan 8.230 nan 0.000 0.415 220 Y N 5.579 125.885 120.300 0.010 0.000 2.327 220 Y HA 0.624 5.174 4.550 -0.000 0.000 0.336 220 Y C -1.132 174.743 175.900 -0.042 0.000 1.035 220 Y CA -0.482 57.600 58.100 -0.030 0.000 1.165 220 Y CB 0.919 39.336 38.460 -0.072 0.000 1.181 220 Y HN 0.583 nan 8.280 nan 0.000 0.494 221 L N 6.857 127.844 121.223 -0.393 0.000 2.296 221 L HA 0.708 5.048 4.340 -0.000 0.000 0.286 221 L C 0.366 176.838 176.870 -0.662 0.000 1.023 221 L CA -0.678 53.944 54.840 -0.363 0.000 0.812 221 L CB 1.487 43.430 42.059 -0.193 0.000 1.223 221 L HN 0.857 nan 8.230 nan 0.000 0.421 222 G N 0.570 108.869 108.800 -0.836 0.000 2.569 222 G HA2 0.664 4.624 3.960 -0.000 0.000 0.300 222 G HA3 0.664 4.624 3.960 -0.000 0.000 0.300 222 G C -1.346 172.931 174.900 -1.038 0.000 1.269 222 G CA -0.329 44.181 45.100 -0.982 0.000 0.959 222 G HN 0.395 nan 8.290 nan 0.000 0.478 223 T N -1.225 112.979 114.554 -0.583 0.000 2.864 223 T HA 0.531 4.881 4.350 -0.000 0.000 0.299 223 T C -0.721 173.838 174.700 -0.235 0.000 1.166 223 T CA -0.485 61.416 62.100 -0.331 0.000 1.007 223 T CB 1.194 69.951 68.868 -0.185 0.000 1.219 223 T HN 0.235 nan 8.240 nan 0.000 0.506 224 F N 1.342 121.411 119.950 0.198 0.000 2.664 224 F HA 0.413 4.940 4.527 -0.000 0.000 0.303 224 F C 1.547 177.477 175.800 0.217 0.000 1.092 224 F CA -0.471 57.687 58.000 0.264 0.000 1.305 224 F CB 0.377 39.485 39.000 0.180 0.000 1.054 224 F HN 0.302 nan 8.300 nan 0.000 0.565 228 Y N 1.887 122.302 120.300 0.191 0.000 2.578 228 Y HA 0.495 5.045 4.550 -0.000 0.000 0.297 228 Y C 1.767 177.842 175.900 0.292 0.000 1.176 228 Y CA 0.771 59.042 58.100 0.285 0.000 1.315 228 Y CB -0.370 38.327 38.460 0.395 0.000 1.031 228 Y HN 0.362 nan 8.280 nan 0.000 0.524 229 G N 1.050 110.056 108.800 0.343 0.000 2.356 229 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.296 229 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.296 229 G C 0.275 175.307 174.900 0.220 0.000 1.022 229 G CA 0.624 45.898 45.100 0.289 0.000 0.961 229 G HN 0.501 nan 8.290 nan 0.000 0.510 230 L N -0.376 120.986 121.223 0.232 0.000 3.289 230 L HA 0.290 4.630 4.340 -0.000 0.000 0.291 230 L C 2.311 179.272 176.870 0.151 0.000 1.279 230 L CA 0.179 55.123 54.840 0.173 0.000 1.025 230 L CB 0.194 42.364 42.059 0.186 0.000 1.413 230 L HN 0.285 nan 8.230 nan 0.000 0.593 231 G N 0.535 109.417 108.800 0.137 0.000 2.475 231 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 231 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 231 G C 1.459 176.408 174.900 0.081 0.000 1.125 231 G CA 0.997 46.160 45.100 0.105 0.000 0.755 231 G HN 0.511 nan 8.290 nan 0.000 0.565 232 G N 0.447 109.289 108.800 0.069 0.000 2.471 232 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.219 232 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.219 232 G C 1.647 176.575 174.900 0.047 0.000 1.125 232 G CA 0.460 45.590 45.100 0.051 0.000 0.775 232 G HN 0.452 nan 8.290 nan 0.000 0.548 233 L N -0.926 120.330 121.223 0.055 0.000 2.375 233 L HA 0.202 4.542 4.340 -0.000 0.000 0.215 233 L C 0.515 177.417 176.870 0.054 0.000 1.108 233 L CA -0.241 54.625 54.840 0.044 0.000 0.830 233 L CB -0.037 42.042 42.059 0.032 0.000 0.959 233 L HN 0.061 nan 8.230 nan 0.000 0.457 234 R N 0.799 121.345 120.500 0.077 0.000 2.958 234 R HA -0.076 4.264 4.340 -0.000 0.000 0.277 234 R C -0.883 175.481 176.300 0.107 0.000 0.940 234 R CA 0.530 56.679 56.100 0.082 0.000 0.664 234 R CB -2.473 27.860 30.300 0.055 0.000 1.551 234 R HN 0.405 nan 8.270 nan 0.000 0.455 235 I N -0.420 120.253 120.570 0.171 0.000 2.586 235 I HA 0.702 4.872 4.170 -0.000 0.000 0.288 235 I C 0.108 176.484 176.117 0.432 0.000 1.147 235 I CA -0.262 61.188 61.300 0.250 0.000 1.047 235 I CB 2.007 40.105 38.000 0.163 0.000 1.244 235 I HN 0.476 nan 8.210 nan 0.000 0.429 236 G N 5.209 114.222 108.800 0.355 0.000 2.788 236 G HA2 0.719 4.679 3.960 -0.000 0.000 0.293 236 G HA3 0.719 4.679 3.960 -0.000 0.000 0.293 236 G C -2.108 172.995 174.900 0.339 0.000 1.392 236 G CA -0.548 44.708 45.100 0.259 0.000 0.810 236 G HN 0.708 nan 8.290 nan 0.000 0.508 237 Y N -2.687 117.678 120.300 0.108 0.000 2.656 237 Y HA 0.783 5.332 4.550 -0.000 0.000 0.334 237 Y C -0.132 175.849 175.900 0.135 0.000 1.179 237 Y CA -1.314 56.875 58.100 0.147 0.000 1.050 237 Y CB 1.237 39.807 38.460 0.183 0.000 1.308 237 Y HN 0.967 nan 8.280 nan 0.000 0.456 238 G N 1.673 110.684 108.800 0.352 0.000 2.566 238 G HA2 0.693 4.653 3.960 -0.000 0.000 0.311 238 G HA3 0.693 4.653 3.960 -0.000 0.000 0.311 238 G C -1.756 173.347 174.900 0.338 0.000 1.322 238 G CA -1.042 44.239 45.100 0.302 0.000 0.969 238 G HN 0.712 nan 8.290 nan 0.000 0.490 239 I N 1.243 121.986 120.570 0.288 0.000 2.465 239 I HA 0.729 4.899 4.170 -0.000 0.000 0.291 239 I C 0.199 176.394 176.117 0.130 0.000 1.014 239 I CA -0.625 60.781 61.300 0.177 0.000 1.093 239 I CB 1.987 40.023 38.000 0.059 0.000 1.267 239 I HN 0.725 nan 8.210 nan 0.000 0.431 240 A N 4.585 127.449 122.820 0.073 0.000 2.540 240 A HA 0.470 4.790 4.320 -0.000 0.000 0.291 240 A C -1.183 176.399 177.584 -0.003 0.000 1.083 240 A CA -0.739 51.315 52.037 0.029 0.000 0.650 240 A CB 1.033 20.023 19.000 -0.017 0.000 1.292 240 A HN 0.621 nan 8.150 nan 0.000 0.435 241 N N 0.108 118.797 118.700 -0.018 0.000 2.407 241 N HA 0.306 5.046 4.740 -0.000 0.000 0.250 241 N C 1.389 176.867 175.510 -0.053 0.000 1.236 241 N CA 1.014 54.047 53.050 -0.027 0.000 0.879 241 N CB 1.056 39.529 38.487 -0.024 0.000 1.088 241 N HN 0.995 nan 8.380 nan 0.000 0.450 242 A N 3.431 126.227 122.820 -0.041 0.000 1.958 242 A HA -0.285 4.035 4.320 -0.000 0.000 0.221 242 A C 1.860 179.404 177.584 -0.067 0.000 1.178 242 A CA 2.036 54.045 52.037 -0.046 0.000 0.642 242 A CB -0.830 18.147 19.000 -0.038 0.000 0.816 242 A HN 0.921 nan 8.150 nan 0.000 0.453 243 N N 0.453 119.111 118.700 -0.070 0.000 2.244 243 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 243 N C 1.587 177.016 175.510 -0.134 0.000 1.016 243 N CA 1.821 54.825 53.050 -0.077 0.000 0.866 243 N CB -0.601 37.852 38.487 -0.055 0.000 0.980 243 N HN 0.559 nan 8.380 nan 0.000 0.430 244 I N 0.702 121.150 120.570 -0.202 0.000 2.233 244 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 244 I C 2.108 177.839 176.117 -0.642 0.000 1.093 244 I CA 0.563 61.607 61.300 -0.426 0.000 1.380 244 I CB -0.139 37.612 38.000 -0.416 0.000 1.067 244 I HN -0.028 nan 8.210 nan 0.000 0.413 245 I N 0.526 120.883 120.570 -0.355 0.000 2.208 245 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 245 I C 2.657 178.809 176.117 0.058 0.000 1.097 245 I CA 1.489 62.710 61.300 -0.131 0.000 1.363 245 I CB -1.366 36.666 38.000 0.054 0.000 1.051 245 I HN 0.166 nan 8.210 nan 0.000 0.413 246 S N 1.071 116.765 115.700 -0.011 0.000 2.370 246 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 246 S C 2.250 176.882 174.600 0.054 0.000 1.033 246 S CA 1.365 59.583 58.200 0.029 0.000 1.011 246 S CB -0.314 62.870 63.200 -0.026 0.000 0.852 246 S HN 0.568 nan 8.310 nan 0.000 0.457 247 A N 1.385 124.197 122.820 -0.014 0.000 1.877 247 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 247 A C 1.813 179.493 177.584 0.159 0.000 1.186 247 A CA 1.342 53.406 52.037 0.045 0.000 0.620 247 A CB -0.809 18.203 19.000 0.019 0.000 0.822 247 A HN 0.446 nan 8.150 nan 0.000 0.443 248 F N -1.402 118.518 119.950 -0.050 0.000 2.171 248 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 248 F C 2.133 177.680 175.800 -0.421 0.000 1.090 248 F CA 0.425 58.281 58.000 -0.239 0.000 1.293 248 F CB -1.586 37.309 39.000 -0.174 0.000 1.013 248 F HN 0.317 nan 8.300 nan 0.000 0.486 249 Y N 0.535 120.810 120.300 -0.041 0.000 2.403 249 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 249 Y C 2.143 177.962 175.900 -0.136 0.000 1.143 249 Y CA 1.249 59.277 58.100 -0.119 0.000 1.257 249 Y CB -0.517 37.903 38.460 -0.067 0.000 0.984 249 Y HN 0.048 nan 8.280 nan 0.000 0.550 250 K N -0.467 119.943 120.400 0.017 0.000 2.288 250 K HA -0.059 4.261 4.320 -0.000 0.000 0.201 250 K C 1.572 178.119 176.600 -0.089 0.000 1.048 250 K CA 0.920 57.196 56.287 -0.018 0.000 0.956 250 K CB -0.018 32.487 32.500 0.008 0.000 0.746 250 K HN 0.351 nan 8.250 nan 0.000 0.461 251 L N 0.027 121.129 121.223 -0.203 0.000 2.357 251 L HA 0.078 4.417 4.340 -0.000 0.000 0.211 251 L C 1.255 177.903 176.870 -0.370 0.000 1.075 251 L CA -0.124 54.562 54.840 -0.256 0.000 0.830 251 L CB 0.034 41.932 42.059 -0.268 0.000 0.996 251 L HN 0.070 nan 8.230 nan 0.000 0.467 252 R N 1.938 122.036 120.500 -0.670 0.000 2.489 252 R HA 0.279 4.619 4.340 -0.000 0.000 0.287 252 R C -0.174 176.016 176.300 -0.182 0.000 1.053 252 R CA -0.064 55.712 56.100 -0.541 0.000 1.036 252 R CB 0.757 30.611 30.300 -0.743 0.000 0.966 252 R HN 0.079 nan 8.270 nan 0.000 0.432 253 A N 6.649 129.449 122.820 -0.033 0.000 2.388 253 A HA 0.372 4.692 4.320 -0.000 0.000 0.257 253 A C -2.158 175.400 177.584 -0.044 0.000 1.095 253 A CA -1.451 50.581 52.037 -0.009 0.000 0.791 253 A CB 0.232 19.263 19.000 0.052 0.000 1.029 253 A HN 0.582 nan 8.150 nan 0.000 0.489 254 P HA 0.305 nan 4.420 nan 0.000 0.272 254 P C -0.466 176.712 177.300 -0.203 0.000 1.223 254 P CA 0.082 62.977 63.100 -0.342 0.000 0.784 254 P CB -0.087 31.265 31.700 -0.580 0.000 0.923 255 F N -0.906 119.108 119.950 0.108 0.000 3.074 255 F HA -0.218 4.309 4.527 -0.000 0.000 0.287 255 F C 1.340 177.200 175.800 0.100 0.000 0.932 255 F CA 0.628 58.706 58.000 0.132 0.000 0.995 255 F CB -2.781 36.355 39.000 0.227 0.000 0.966 255 F HN 0.396 nan 8.300 nan 0.000 0.721 256 N N 0.436 119.237 118.700 0.168 0.000 2.494 256 N HA 0.037 4.777 4.740 -0.000 0.000 0.182 256 N C 0.379 175.961 175.510 0.119 0.000 1.076 256 N CA 1.171 54.303 53.050 0.136 0.000 0.908 256 N CB 0.199 38.760 38.487 0.123 0.000 0.967 256 N HN 0.413 nan 8.380 nan 0.000 0.449 257 V N -1.863 118.127 119.914 0.128 0.000 2.914 257 V HA 0.618 4.738 4.120 -0.000 0.000 0.314 257 V C 0.284 176.433 176.094 0.092 0.000 1.084 257 V CA -1.185 61.174 62.300 0.098 0.000 0.963 257 V CB 1.325 33.205 31.823 0.096 0.000 1.025 257 V HN 0.239 nan 8.190 nan 0.000 0.432 258 S N 2.382 118.112 115.700 0.050 0.000 2.585 258 S HA 0.134 4.603 4.470 -0.000 0.000 0.273 258 S C 1.130 175.737 174.600 0.011 0.000 1.339 258 S CA 0.213 58.423 58.200 0.017 0.000 1.028 258 S CB 0.752 63.946 63.200 -0.009 0.000 0.906 258 S HN 1.184 nan 8.310 nan 0.000 0.528 259 N N 2.925 121.618 118.700 -0.012 0.000 2.120 259 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 259 N C 1.606 177.097 175.510 -0.032 0.000 1.024 259 N CA 1.561 54.601 53.050 -0.016 0.000 0.852 259 N CB -1.020 37.443 38.487 -0.040 0.000 1.003 259 N HN 0.704 nan 8.380 nan 0.000 0.424 260 L N 0.181 121.380 121.223 -0.039 0.000 2.083 260 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 260 L C 2.761 179.602 176.870 -0.048 0.000 1.083 260 L CA 1.289 56.104 54.840 -0.041 0.000 0.752 260 L CB -0.664 41.374 42.059 -0.035 0.000 0.899 260 L HN 0.266 nan 8.230 nan 0.000 0.433 261 A N 0.385 123.180 122.820 -0.040 0.000 1.877 261 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 261 A C 2.261 179.779 177.584 -0.110 0.000 1.186 261 A CA 1.357 53.360 52.037 -0.057 0.000 0.620 261 A CB -0.690 18.300 19.000 -0.017 0.000 0.822 261 A HN 0.337 nan 8.150 nan 0.000 0.443 262 L N -0.695 120.484 121.223 -0.073 0.000 2.042 262 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 262 L C 2.659 179.457 176.870 -0.120 0.000 1.076 262 L CA 1.950 56.738 54.840 -0.086 0.000 0.749 262 L CB -0.441 41.604 42.059 -0.023 0.000 0.893 262 L HN 0.379 nan 8.230 nan 0.000 0.432 263 K N -0.196 120.150 120.400 -0.090 0.000 2.007 263 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 263 K C 2.248 178.780 176.600 -0.113 0.000 1.047 263 K CA 1.273 57.510 56.287 -0.085 0.000 0.937 263 K CB -0.293 32.172 32.500 -0.058 0.000 0.718 263 K HN 0.250 nan 8.250 nan 0.000 0.438 264 A N 1.542 124.292 122.820 -0.116 0.000 1.972 264 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 264 A C 2.326 179.791 177.584 -0.197 0.000 1.169 264 A CA 1.841 53.806 52.037 -0.121 0.000 0.635 264 A CB -0.607 18.342 19.000 -0.086 0.000 0.810 264 A HN 0.352 nan 8.150 nan 0.000 0.446 265 A N -0.615 121.991 122.820 -0.356 0.000 1.930 265 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 265 A C 2.200 179.506 177.584 -0.464 0.000 1.175 265 A CA 1.629 53.226 52.037 -0.733 0.000 0.627 265 A CB -0.801 17.351 19.000 -1.413 0.000 0.815 265 A HN 0.359 nan 8.150 nan 0.000 0.443 266 V N -0.106 119.636 119.914 -0.287 0.000 2.343 266 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 266 V C 3.047 179.081 176.094 -0.100 0.000 1.051 266 V CA 1.927 64.132 62.300 -0.158 0.000 1.036 266 V CB -1.180 30.577 31.823 -0.110 0.000 0.654 266 V HN 0.603 nan 8.190 nan 0.000 0.451 267 A N -0.070 122.695 122.820 -0.092 0.000 1.933 267 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 267 A C 1.713 179.290 177.584 -0.012 0.000 1.175 267 A CA 1.222 53.229 52.037 -0.050 0.000 0.628 267 A CB -0.620 18.347 19.000 -0.054 0.000 0.814 267 A HN 0.601 nan 8.150 nan 0.000 0.444 271 D N 0.962 121.436 120.400 0.122 0.000 2.622 271 D HA 0.141 4.781 4.640 -0.000 0.000 0.262 271 D C 0.520 176.925 176.300 0.176 0.000 1.189 271 D CA -0.098 53.980 54.000 0.131 0.000 0.985 271 D CB 0.514 41.386 40.800 0.120 0.000 0.994 271 D HN 0.135 nan 8.370 nan 0.000 0.513 272 D N 0.889 121.363 120.400 0.124 0.000 2.224 272 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 272 D C 1.840 178.191 176.300 0.085 0.000 0.965 272 D CA 0.803 54.866 54.000 0.106 0.000 0.852 272 D CB 0.331 41.177 40.800 0.076 0.000 0.947 272 D HN 0.613 nan 8.370 nan 0.000 0.494 273 E N 0.955 121.207 120.200 0.087 0.000 2.106 273 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 273 E C 1.709 178.342 176.600 0.056 0.000 0.984 273 E CA 0.543 56.978 56.400 0.058 0.000 0.806 273 E CB -1.106 28.624 29.700 0.050 0.000 0.750 273 E HN 0.327 nan 8.360 nan 0.000 0.458 274 F N 2.216 122.143 119.950 -0.039 0.000 2.113 274 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 274 F C 2.781 178.545 175.800 -0.059 0.000 1.103 274 F CA 2.811 60.776 58.000 -0.059 0.000 1.248 274 F CB -0.336 38.656 39.000 -0.013 0.000 0.999 274 F HN 0.271 nan 8.300 nan 0.000 0.475 275 T N -2.420 112.143 114.554 0.014 0.000 2.821 275 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 275 T C 1.815 176.393 174.700 -0.203 0.000 1.046 275 T CA 1.217 63.221 62.100 -0.160 0.000 1.139 275 T CB -0.471 68.319 68.868 -0.131 0.000 0.871 275 T HN 0.180 nan 8.240 nan 0.000 0.454 276 E N 1.608 121.743 120.200 -0.108 0.000 2.077 276 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 276 E C 2.163 178.671 176.600 -0.153 0.000 0.989 276 E CA 1.112 57.460 56.400 -0.088 0.000 0.800 276 E CB -0.349 29.355 29.700 0.007 0.000 0.746 276 E HN 0.659 nan 8.360 nan 0.000 0.452 277 K N 0.293 120.576 120.400 -0.194 0.000 2.063 277 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 277 K C 2.038 178.516 176.600 -0.204 0.000 1.048 277 K CA 1.820 57.954 56.287 -0.255 0.000 0.928 277 K CB -0.089 32.155 32.500 -0.427 0.000 0.713 277 K HN 0.022 nan 8.250 nan 0.000 0.442 278 T N 2.043 116.443 114.554 -0.257 0.000 2.684 278 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 278 T C 1.884 176.532 174.700 -0.087 0.000 1.036 278 T CA 1.584 63.648 62.100 -0.060 0.000 1.148 278 T CB -0.203 68.543 68.868 -0.204 0.000 0.863 278 T HN 0.163 nan 8.240 nan 0.000 0.436 279 L N 1.008 122.058 121.223 -0.287 0.000 2.017 279 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 279 L C 3.368 179.913 176.870 -0.543 0.000 1.073 279 L CA 1.929 56.454 54.840 -0.525 0.000 0.745 279 L CB -0.986 40.468 42.059 -1.007 0.000 0.894 279 L HN 0.399 nan 8.230 nan 0.000 0.432 280 E N 0.594 120.565 120.200 -0.382 0.000 2.051 280 E HA -0.304 4.046 4.350 -0.000 0.000 0.192 280 E C 1.774 178.418 176.600 0.073 0.000 0.991 280 E CA 1.733 58.120 56.400 -0.021 0.000 0.799 280 E CB -1.120 28.631 29.700 0.085 0.000 0.748 280 E HN 0.622 nan 8.360 nan 0.000 0.449 281 N N 0.574 119.311 118.700 0.061 0.000 2.084 281 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 281 N C 1.937 177.454 175.510 0.012 0.000 1.030 281 N CA 1.878 54.997 53.050 0.115 0.000 0.849 281 N CB -0.363 38.296 38.487 0.287 0.000 1.012 281 N HN 0.458 nan 8.380 nan 0.000 0.423 282 N N -1.164 117.474 118.700 -0.103 0.000 2.060 282 N HA -0.168 4.572 4.740 -0.000 0.000 0.195 282 N C 1.127 176.406 175.510 -0.385 0.000 1.028 282 N CA 1.789 54.641 53.050 -0.330 0.000 0.861 282 N CB -0.269 37.913 38.487 -0.509 0.000 1.029 282 N HN 0.259 nan 8.380 nan 0.000 0.428 283 F N -0.028 119.948 119.950 0.043 0.000 2.335 283 F HA 0.109 4.636 4.527 -0.000 0.000 0.296 283 F C 2.700 178.564 175.800 0.106 0.000 1.091 283 F CA 0.875 58.927 58.000 0.087 0.000 1.399 283 F CB -0.638 38.469 39.000 0.179 0.000 1.067 283 F HN 0.094 nan 8.300 nan 0.000 0.520 284 S N -0.776 115.077 115.700 0.256 0.000 2.368 284 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 284 S C 1.269 175.971 174.600 0.171 0.000 1.030 284 S CA 0.487 58.805 58.200 0.196 0.000 0.999 284 S CB -0.509 62.792 63.200 0.168 0.000 0.844 284 S HN 0.189 nan 8.310 nan 0.000 0.459 288 L N 0.642 121.979 121.223 0.189 0.000 2.046 288 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 288 L C 2.361 179.267 176.870 0.060 0.000 1.077 288 L CA 1.508 56.393 54.840 0.076 0.000 0.747 288 L CB -0.524 41.608 42.059 0.123 0.000 0.896 288 L HN 0.123 nan 8.230 nan 0.000 0.432 289 Y N 0.442 120.959 120.300 0.362 0.000 2.224 289 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 289 Y C 2.615 178.777 175.900 0.438 0.000 1.146 289 Y CA 1.351 59.759 58.100 0.512 0.000 1.182 289 Y CB -0.226 38.454 38.460 0.367 0.000 0.983 289 Y HN 0.065 nan 8.280 nan 0.000 0.524 290 K N 0.095 120.741 120.400 0.410 0.000 2.025 290 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 290 K C 1.884 178.595 176.600 0.185 0.000 1.049 290 K CA 1.792 58.240 56.287 0.269 0.000 0.933 290 K CB -0.195 32.412 32.500 0.179 0.000 0.714 290 K HN 0.395 nan 8.250 nan 0.000 0.438 291 E N 0.280 120.562 120.200 0.136 0.000 2.077 291 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 291 E C 1.818 178.455 176.600 0.061 0.000 0.989 291 E CA 1.094 57.528 56.400 0.056 0.000 0.800 291 E CB -0.190 29.516 29.700 0.010 0.000 0.746 291 E HN 0.210 nan 8.360 nan 0.000 0.452 292 F N 1.595 121.504 119.950 -0.067 0.000 2.095 292 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 292 F C 2.226 178.128 175.800 0.169 0.000 1.104 292 F CA 1.599 59.606 58.000 0.012 0.000 1.232 292 F CB -0.351 38.594 39.000 -0.090 0.000 0.987 292 F HN -0.026 nan 8.300 nan 0.000 0.475 293 A N 0.158 123.166 122.820 0.313 0.000 1.883 293 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 293 A C 2.295 179.843 177.584 -0.059 0.000 1.186 293 A CA 2.070 54.093 52.037 -0.024 0.000 0.624 293 A CB -0.986 17.900 19.000 -0.191 0.000 0.822 293 A HN 0.489 nan 8.150 nan 0.000 0.444 294 K N -0.130 120.256 120.400 -0.024 0.000 2.032 294 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 294 K C 2.017 178.546 176.600 -0.117 0.000 1.048 294 K CA 1.822 58.077 56.287 -0.054 0.000 0.927 294 K CB -0.185 32.301 32.500 -0.024 0.000 0.712 294 K HN 0.444 nan 8.250 nan 0.000 0.441 295 K N -0.670 119.628 120.400 -0.170 0.000 2.147 295 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 295 K C 1.295 177.590 176.600 -0.508 0.000 1.049 295 K CA 1.395 57.488 56.287 -0.323 0.000 0.936 295 K CB -0.104 32.170 32.500 -0.377 0.000 0.722 295 K HN 0.378 nan 8.250 nan 0.000 0.446 296 H N -0.394 118.466 119.070 -0.349 0.000 2.520 296 H HA 0.109 4.664 4.556 -0.000 0.000 0.284 296 H C -0.141 175.078 175.328 -0.181 0.000 1.037 296 H CA -0.214 55.644 56.048 -0.317 0.000 1.168 296 H CB 0.238 29.714 29.762 -0.475 0.000 1.497 296 H HN 0.119 nan 8.280 nan 0.000 0.547 297 N N 0.747 119.396 118.700 -0.085 0.000 2.735 297 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 297 N C -1.175 174.310 175.510 -0.042 0.000 1.083 297 N CA 0.296 53.312 53.050 -0.057 0.000 0.703 297 N CB -1.500 36.960 38.487 -0.045 0.000 1.005 297 N HN 0.442 nan 8.380 nan 0.000 0.550 298 I N 0.098 120.619 120.570 -0.081 0.000 2.336 298 I HA 0.102 4.272 4.170 -0.000 0.000 0.292 298 I C 0.555 176.585 176.117 -0.146 0.000 0.991 298 I CA -0.743 60.466 61.300 -0.152 0.000 1.227 298 I CB 1.435 39.256 38.000 -0.297 0.000 1.366 298 I HN 0.027 nan 8.210 nan 0.000 0.466 299 K N 7.618 127.964 120.400 -0.091 0.000 2.350 299 K HA 0.507 4.827 4.320 -0.000 0.000 0.279 299 K C -0.582 176.079 176.600 0.102 0.000 1.027 299 K CA -0.111 56.168 56.287 -0.013 0.000 0.969 299 K CB 0.485 32.974 32.500 -0.018 0.000 0.954 299 K HN 0.583 nan 8.250 nan 0.000 0.474 300 I N -0.021 120.627 120.570 0.131 0.000 3.239 300 I HA 0.639 4.809 4.170 -0.000 0.000 0.314 300 I C -0.622 175.619 176.117 0.206 0.000 1.126 300 I CA -1.426 60.034 61.300 0.266 0.000 0.973 300 I CB 2.144 40.278 38.000 0.223 0.000 1.252 300 I HN 0.580 nan 8.210 nan 0.000 0.463 301 I N 1.920 122.647 120.570 0.261 0.000 2.406 301 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 301 I C -0.769 175.431 176.117 0.137 0.000 0.999 301 I CA -0.433 60.971 61.300 0.173 0.000 1.124 301 I CB 1.599 39.731 38.000 0.221 0.000 1.289 301 I HN 0.606 nan 8.210 nan 0.000 0.441 302 D N 4.413 124.872 120.400 0.098 0.000 2.458 302 D HA 0.032 4.672 4.640 -0.000 0.000 0.243 302 D C -0.296 176.002 176.300 -0.002 0.000 1.146 302 D CA 0.752 54.776 54.000 0.039 0.000 0.877 302 D CB 0.875 41.694 40.800 0.031 0.000 1.176 302 D HN 0.374 nan 8.370 nan 0.000 0.461 303 S N 2.913 118.538 115.700 -0.125 0.000 2.501 303 S HA 0.373 4.843 4.470 -0.000 0.000 0.301 303 S C -0.372 174.038 174.600 -0.317 0.000 1.096 303 S CA -0.613 57.483 58.200 -0.173 0.000 1.063 303 S CB 0.438 63.489 63.200 -0.248 0.000 1.042 303 S HN 0.460 nan 8.310 nan 0.000 0.494 304 Y N 1.980 122.255 120.300 -0.042 0.000 2.612 304 Y HA 0.218 4.768 4.550 -0.000 0.000 0.250 304 Y C 1.444 177.388 175.900 0.074 0.000 1.175 304 Y CA -0.283 57.880 58.100 0.105 0.000 1.205 304 Y CB 0.305 38.800 38.460 0.058 0.000 1.201 304 Y HN 0.738 nan 8.280 nan 0.000 0.532 305 T N -2.903 111.514 114.554 -0.228 0.000 2.797 305 T HA 0.184 4.534 4.350 -0.000 0.000 0.267 305 T C 0.677 174.841 174.700 -0.892 0.000 0.986 305 T CA -0.687 61.071 62.100 -0.570 0.000 0.999 305 T CB 0.755 68.821 68.868 -1.337 0.000 1.508 305 T HN 0.159 nan 8.240 nan 0.000 0.595 306 N N 0.208 118.233 118.700 -1.126 0.000 2.320 306 N HA 0.231 4.971 4.740 -0.000 0.000 0.237 306 N C -0.520 174.626 175.510 -0.607 0.000 1.129 306 N CA -0.756 51.625 53.050 -1.114 0.000 0.854 306 N CB -0.751 36.899 38.487 -1.396 0.000 1.083 306 N HN 0.727 nan 8.380 nan 0.000 0.504 307 F N -1.951 117.658 119.950 -0.568 0.000 2.711 307 F HA 0.685 5.212 4.527 -0.000 0.000 0.313 307 F C -1.473 174.050 175.800 -0.462 0.000 1.141 307 F CA -1.684 55.997 58.000 -0.532 0.000 0.941 307 F CB 1.096 39.815 39.000 -0.468 0.000 1.349 307 F HN -0.157 nan 8.300 nan 0.000 0.464 308 I N 0.667 121.130 120.570 -0.179 0.000 2.686 308 I HA 0.591 4.761 4.170 -0.000 0.000 0.295 308 I C -1.318 174.758 176.117 -0.069 0.000 1.114 308 I CA -0.401 60.821 61.300 -0.131 0.000 1.038 308 I CB 2.470 40.352 38.000 -0.197 0.000 1.238 308 I HN 0.816 nan 8.210 nan 0.000 0.420 309 T N 6.154 120.753 114.554 0.075 0.000 2.770 309 T HA 0.460 4.810 4.350 -0.000 0.000 0.283 309 T C -1.109 173.676 174.700 0.142 0.000 0.988 309 T CA -0.141 61.946 62.100 -0.022 0.000 0.957 309 T CB 0.343 69.184 68.868 -0.045 0.000 0.930 309 T HN 0.188 nan 8.240 nan 0.000 0.443 310 Y N 2.518 122.718 120.300 -0.168 0.000 2.330 310 Y HA 0.545 5.095 4.550 -0.000 0.000 0.336 310 Y C -0.244 175.332 175.900 -0.540 0.000 1.036 310 Y CA -1.961 56.033 58.100 -0.175 0.000 1.125 310 Y CB 0.551 39.024 38.460 0.021 0.000 1.194 310 Y HN 0.520 nan 8.280 nan 0.000 0.469 311 F N 3.640 123.398 119.950 -0.320 0.000 2.450 311 F HA 0.582 5.109 4.527 -0.000 0.000 0.332 311 F C -0.645 174.765 175.800 -0.650 0.000 1.093 311 F CA -0.808 56.999 58.000 -0.322 0.000 1.003 311 F CB 1.011 39.947 39.000 -0.106 0.000 1.151 311 F HN 0.187 nan 8.300 nan 0.000 0.474 312 F N 0.760 120.879 119.950 0.282 0.000 2.579 312 F HA 0.452 4.979 4.527 -0.000 0.000 0.324 312 F C 0.220 176.116 175.800 0.160 0.000 1.058 312 F CA -0.649 57.469 58.000 0.196 0.000 0.944 312 F CB 1.417 40.519 39.000 0.169 0.000 1.245 312 F HN 0.356 nan 8.300 nan 0.000 0.477 313 D N 0.289 120.867 120.400 0.297 0.000 3.136 313 D HA 0.126 4.766 4.640 -0.000 0.000 0.254 313 D C 2.056 178.449 176.300 0.156 0.000 1.563 313 D CA 1.061 55.170 54.000 0.183 0.000 1.225 313 D CB -0.347 40.525 40.800 0.121 0.000 1.079 313 D HN 0.602 nan 8.370 nan 0.000 0.314 314 E N 1.372 121.651 120.200 0.133 0.000 2.152 314 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 314 E C 0.794 177.446 176.600 0.087 0.000 0.983 314 E CA 0.901 57.356 56.400 0.092 0.000 0.818 314 E CB -0.531 29.209 29.700 0.068 0.000 0.758 314 E HN 0.163 nan 8.360 nan 0.000 0.467 315 K N 0.503 120.974 120.400 0.119 0.000 2.090 315 K HA 0.295 4.615 4.320 -0.000 0.000 0.250 315 K C -0.377 176.243 176.600 0.034 0.000 1.004 315 K CA -0.600 55.713 56.287 0.043 0.000 0.919 315 K CB 0.856 33.349 32.500 -0.013 0.000 1.045 315 K HN 0.246 nan 8.250 nan 0.000 0.471 316 N N 0.624 119.295 118.700 -0.048 0.000 2.407 316 N HA 0.002 4.742 4.740 -0.000 0.000 0.277 316 N C 0.571 176.014 175.510 -0.112 0.000 0.995 316 N CA -0.145 52.886 53.050 -0.032 0.000 0.903 316 N CB 1.631 40.112 38.487 -0.010 0.000 1.218 316 N HN 0.633 nan 8.380 nan 0.000 0.487 317 S N 2.412 118.071 115.700 -0.068 0.000 2.400 317 S HA -0.154 4.316 4.470 -0.000 0.000 0.232 317 S C 1.411 175.972 174.600 -0.064 0.000 1.025 317 S CA 1.643 59.791 58.200 -0.087 0.000 0.993 317 S CB -0.395 62.844 63.200 0.064 0.000 0.808 317 S HN 0.629 nan 8.310 nan 0.000 0.478 318 T N 1.892 116.423 114.554 -0.037 0.000 2.770 318 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 318 T C 1.602 176.278 174.700 -0.041 0.000 1.039 318 T CA 1.488 63.568 62.100 -0.034 0.000 1.142 318 T CB -0.768 68.086 68.868 -0.022 0.000 0.868 318 T HN 0.623 nan 8.240 nan 0.000 0.435 319 D N 1.203 121.576 120.400 -0.044 0.000 2.117 319 D HA -0.056 4.584 4.640 -0.000 0.000 0.197 319 D C 2.023 178.298 176.300 -0.042 0.000 0.987 319 D CA 0.915 54.891 54.000 -0.040 0.000 0.829 319 D CB -0.419 40.358 40.800 -0.038 0.000 0.961 319 D HN 0.312 nan 8.370 nan 0.000 0.460 320 L N -0.126 121.056 121.223 -0.067 0.000 2.046 320 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 320 L C 2.668 179.532 176.870 -0.011 0.000 1.077 320 L CA 1.087 55.911 54.840 -0.026 0.000 0.747 320 L CB -0.511 41.493 42.059 -0.093 0.000 0.896 320 L HN 0.002 nan 8.230 nan 0.000 0.432 321 S N -0.353 115.320 115.700 -0.046 0.000 2.368 321 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 321 S C 2.350 176.926 174.600 -0.039 0.000 1.030 321 S CA 1.580 59.749 58.200 -0.052 0.000 0.999 321 S CB -0.361 62.806 63.200 -0.056 0.000 0.844 321 S HN 0.614 nan 8.310 nan 0.000 0.459 322 E N 1.721 121.901 120.200 -0.033 0.000 2.051 322 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 322 E C 1.787 178.376 176.600 -0.019 0.000 0.991 322 E CA 1.586 57.970 56.400 -0.027 0.000 0.799 322 E CB -0.747 28.938 29.700 -0.026 0.000 0.748 322 E HN 0.607 nan 8.360 nan 0.000 0.449 323 K N -0.401 119.993 120.400 -0.010 0.000 2.063 323 K HA -0.017 4.303 4.320 -0.000 0.000 0.208 323 K C 2.359 178.961 176.600 0.003 0.000 1.048 323 K CA 1.444 57.732 56.287 0.002 0.000 0.928 323 K CB -0.292 32.218 32.500 0.017 0.000 0.713 323 K HN 0.316 nan 8.250 nan 0.000 0.442 324 L N 0.364 121.587 121.223 -0.000 0.000 2.056 324 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 324 L C 2.336 179.191 176.870 -0.025 0.000 1.078 324 L CA 0.546 55.375 54.840 -0.018 0.000 0.749 324 L CB -0.302 41.728 42.059 -0.048 0.000 0.901 324 L HN 0.161 nan 8.230 nan 0.000 0.433 325 L N 0.075 121.280 121.223 -0.029 0.000 2.042 325 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 325 L C 2.461 179.318 176.870 -0.022 0.000 1.076 325 L CA 1.821 56.643 54.840 -0.030 0.000 0.749 325 L CB -0.437 41.603 42.059 -0.032 0.000 0.893 325 L HN 0.105 nan 8.230 nan 0.000 0.432 326 K N -0.857 119.532 120.400 -0.018 0.000 2.280 326 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 326 K C 1.277 177.869 176.600 -0.013 0.000 1.047 326 K CA 0.744 57.022 56.287 -0.014 0.000 0.942 326 K CB -0.005 32.489 32.500 -0.012 0.000 0.739 326 K HN 0.186 nan 8.250 nan 0.000 0.457 327 K N -0.447 119.944 120.400 -0.015 0.000 2.387 327 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 327 K C 0.787 177.376 176.600 -0.018 0.000 1.022 327 K CA 0.501 56.778 56.287 -0.016 0.000 1.128 327 K CB 1.121 33.610 32.500 -0.019 0.000 0.853 327 K HN 0.342 nan 8.250 nan 0.000 0.523 328 G N 1.796 110.585 108.800 -0.018 0.000 2.143 328 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.249 328 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.249 328 G C 0.085 174.971 174.900 -0.024 0.000 0.981 328 G CA -0.114 44.975 45.100 -0.018 0.000 0.665 328 G HN 0.295 nan 8.290 nan 0.000 0.528 329 I N 1.284 121.837 120.570 -0.028 0.000 2.330 329 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 329 I C 0.350 176.440 176.117 -0.044 0.000 1.001 329 I CA -0.867 60.415 61.300 -0.030 0.000 1.193 329 I CB 1.310 39.305 38.000 -0.009 0.000 1.345 329 I HN -0.039 nan 8.210 nan 0.000 0.461 330 I N 7.770 128.304 120.570 -0.061 0.000 2.306 330 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 330 I C -0.141 175.905 176.117 -0.119 0.000 1.036 330 I CA -0.562 60.691 61.300 -0.078 0.000 1.221 330 I CB 0.619 38.578 38.000 -0.069 0.000 1.385 330 I HN 0.470 nan 8.210 nan 0.000 0.472 331 I N 3.590 124.080 120.570 -0.134 0.000 3.237 331 I HA 0.676 4.846 4.170 -0.000 0.000 0.308 331 I C -0.238 175.779 176.117 -0.167 0.000 1.093 331 I CA -1.338 59.846 61.300 -0.194 0.000 1.001 331 I CB 0.914 38.767 38.000 -0.245 0.000 1.245 331 I HN 0.321 nan 8.210 nan 0.000 0.485 332 R N 2.268 122.649 120.500 -0.198 0.000 2.229 332 R HA 0.424 4.764 4.340 -0.000 0.000 0.332 332 R C -0.816 175.406 176.300 -0.131 0.000 0.989 332 R CA -0.265 55.739 56.100 -0.159 0.000 0.842 332 R CB 0.072 30.256 30.300 -0.194 0.000 1.119 332 R HN 0.776 nan 8.270 nan 0.000 0.456 333 N N 4.060 122.710 118.700 -0.083 0.000 2.497 333 N HA 0.085 4.825 4.740 -0.000 0.000 0.271 333 N C -0.098 175.401 175.510 -0.019 0.000 1.142 333 N CA -0.044 52.976 53.050 -0.049 0.000 0.965 333 N CB 0.742 39.205 38.487 -0.040 0.000 1.077 333 N HN 0.714 nan 8.380 nan 0.000 0.462 334 L N 2.659 123.881 121.223 -0.001 0.000 2.741 334 L HA 0.156 4.496 4.340 -0.000 0.000 0.237 334 L C 1.719 178.655 176.870 0.109 0.000 1.178 334 L CA -0.147 54.739 54.840 0.077 0.000 0.973 334 L CB -0.079 41.958 42.059 -0.036 0.000 1.255 334 L HN 0.485 nan 8.230 nan 0.000 0.498 335 K N 1.540 121.973 120.400 0.055 0.000 2.113 335 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 335 K C 2.251 178.866 176.600 0.025 0.000 1.047 335 K CA 2.085 58.398 56.287 0.042 0.000 0.928 335 K CB -0.220 32.288 32.500 0.013 0.000 0.716 335 K HN 0.349 nan 8.250 nan 0.000 0.446 336 S N -1.107 114.582 115.700 -0.017 0.000 2.442 336 S HA -0.166 4.304 4.470 -0.000 0.000 0.236 336 S C 1.663 176.164 174.600 -0.165 0.000 1.007 336 S CA 0.898 59.027 58.200 -0.119 0.000 0.965 336 S CB -0.604 62.471 63.200 -0.209 0.000 0.773 336 S HN 0.397 nan 8.310 nan 0.000 0.504 337 Y N 1.824 122.096 120.300 -0.046 0.000 2.466 337 Y HA 0.392 4.941 4.550 -0.000 0.000 0.272 337 Y C 1.878 177.775 175.900 -0.004 0.000 1.169 337 Y CA -0.112 57.969 58.100 -0.032 0.000 1.285 337 Y CB -0.092 38.350 38.460 -0.029 0.000 1.078 337 Y HN 0.435 nan 8.280 nan 0.000 0.523 338 G N 0.565 109.438 108.800 0.122 0.000 2.136 338 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 338 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 338 G C -0.266 174.707 174.900 0.121 0.000 0.989 338 G CA -0.009 45.148 45.100 0.095 0.000 0.682 338 G HN 0.253 nan 8.290 nan 0.000 0.522 339 L N -0.283 121.025 121.223 0.140 0.000 2.342 339 L HA 0.516 4.856 4.340 -0.000 0.000 0.271 339 L C 0.173 177.125 176.870 0.137 0.000 1.008 339 L CA -1.226 53.709 54.840 0.159 0.000 0.818 339 L CB 1.774 43.926 42.059 0.155 0.000 1.296 339 L HN 0.067 nan 8.230 nan 0.000 0.427 340 N N 2.355 121.167 118.700 0.187 0.000 3.034 340 N HA 0.551 5.291 4.740 -0.000 0.000 0.265 340 N C -1.080 174.592 175.510 0.269 0.000 1.166 340 N CA -0.011 53.167 53.050 0.213 0.000 1.081 340 N CB 0.356 38.983 38.487 0.234 0.000 1.378 340 N HN 0.720 nan 8.380 nan 0.000 0.520 341 A N 1.856 124.764 122.820 0.146 0.000 2.612 341 A HA 0.669 4.989 4.320 -0.000 0.000 0.293 341 A C -1.064 176.543 177.584 0.038 0.000 1.075 341 A CA -0.835 51.202 52.037 0.001 0.000 0.680 341 A CB 0.903 19.535 19.000 -0.613 0.000 1.279 341 A HN 0.425 nan 8.150 nan 0.000 0.411 342 I N -1.446 119.165 120.570 0.068 0.000 2.608 342 I HA 0.794 4.964 4.170 -0.000 0.000 0.295 342 I C -0.426 175.575 176.117 -0.195 0.000 1.049 342 I CA -0.785 60.496 61.300 -0.032 0.000 1.063 342 I CB 2.063 40.083 38.000 0.033 0.000 1.248 342 I HN 0.713 nan 8.210 nan 0.000 0.424 343 R N 5.442 125.773 120.500 -0.281 0.000 2.343 343 R HA 0.658 4.998 4.340 -0.000 0.000 0.320 343 R C -1.668 174.374 176.300 -0.429 0.000 0.956 343 R CA -0.672 55.197 56.100 -0.386 0.000 0.836 343 R CB 1.363 31.345 30.300 -0.530 0.000 1.151 343 R HN 0.733 nan 8.270 nan 0.000 0.450 344 I N 3.351 123.612 120.570 -0.514 0.000 2.330 344 I HA 0.198 4.368 4.170 -0.000 0.000 0.289 344 I C 0.324 176.093 176.117 -0.579 0.000 1.001 344 I CA -0.327 60.583 61.300 -0.649 0.000 1.193 344 I CB 1.993 39.375 38.000 -1.030 0.000 1.345 344 I HN 0.462 nan 8.210 nan 0.000 0.461 345 T N 6.360 120.645 114.554 -0.449 0.000 2.930 345 T HA 0.288 4.637 4.350 -0.000 0.000 0.306 345 T C 0.436 174.850 174.700 -0.475 0.000 1.045 345 T CA -0.154 61.734 62.100 -0.353 0.000 1.134 345 T CB 0.359 69.075 68.868 -0.253 0.000 0.961 345 T HN 0.175 nan 8.240 nan 0.000 0.545 346 I N 3.706 123.994 120.570 -0.470 0.000 2.436 346 I HA 0.270 4.439 4.170 -0.000 0.000 0.289 346 I C 1.177 177.105 176.117 -0.314 0.000 1.083 346 I CA -0.060 60.978 61.300 -0.437 0.000 1.372 346 I CB -0.171 37.579 38.000 -0.417 0.000 1.408 346 I HN 0.712 nan 8.210 nan 0.000 0.516 347 G N 5.142 113.794 108.800 -0.248 0.000 2.606 347 G HA2 0.502 4.462 3.960 -0.000 0.000 0.262 347 G HA3 0.502 4.462 3.960 -0.000 0.000 0.262 347 G C 0.122 174.868 174.900 -0.257 0.000 1.394 347 G CA -0.235 44.716 45.100 -0.248 0.000 1.044 347 G HN 0.609 nan 8.290 nan 0.000 0.553 348 T N -2.411 111.991 114.554 -0.253 0.000 2.766 348 T HA 0.266 4.616 4.350 -0.000 0.000 0.295 348 T C 1.897 176.578 174.700 -0.031 0.000 1.024 348 T CA 0.701 62.681 62.100 -0.200 0.000 1.018 348 T CB 1.114 69.920 68.868 -0.102 0.000 1.002 348 T HN 0.925 nan 8.240 nan 0.000 0.532 349 S N 0.234 115.969 115.700 0.058 0.000 2.399 349 S HA -0.200 4.270 4.470 -0.000 0.000 0.231 349 S C 1.816 176.473 174.600 0.095 0.000 1.022 349 S CA 1.005 59.258 58.200 0.088 0.000 0.983 349 S CB -1.237 62.039 63.200 0.126 0.000 0.803 349 S HN 0.806 nan 8.310 nan 0.000 0.480 350 Y N 2.290 122.590 120.300 0.001 0.000 2.200 350 Y HA -0.015 4.535 4.550 -0.000 0.000 0.290 350 Y C 2.272 178.149 175.900 -0.038 0.000 1.137 350 Y CA 1.853 59.951 58.100 -0.003 0.000 1.163 350 Y CB -0.380 38.085 38.460 0.008 0.000 0.988 350 Y HN 0.316 nan 8.280 nan 0.000 0.518 351 E N -0.044 120.169 120.200 0.022 0.000 2.077 351 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 351 E C 1.800 178.273 176.600 -0.211 0.000 0.989 351 E CA 1.226 57.565 56.400 -0.103 0.000 0.800 351 E CB -0.174 29.494 29.700 -0.053 0.000 0.746 351 E HN 0.526 nan 8.360 nan 0.000 0.452 352 N N 0.920 119.487 118.700 -0.222 0.000 2.244 352 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 352 N C 1.774 176.930 175.510 -0.590 0.000 1.016 352 N CA 0.952 53.727 53.050 -0.459 0.000 0.866 352 N CB -0.180 38.094 38.487 -0.355 0.000 0.980 352 N HN 0.138 nan 8.380 nan 0.000 0.430 353 E N 1.605 121.662 120.200 -0.239 0.000 2.110 353 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 353 E C 1.744 178.256 176.600 -0.148 0.000 0.988 353 E CA 1.130 57.483 56.400 -0.079 0.000 0.804 353 E CB 0.035 29.713 29.700 -0.036 0.000 0.745 353 E HN 0.050 nan 8.360 nan 0.000 0.458 354 K N -0.432 119.812 120.400 -0.261 0.000 2.057 354 K HA -0.084 4.235 4.320 -0.000 0.000 0.207 354 K C 2.019 178.525 176.600 -0.157 0.000 1.049 354 K CA 1.139 57.291 56.287 -0.225 0.000 0.931 354 K CB -1.069 31.256 32.500 -0.292 0.000 0.714 354 K HN 0.444 nan 8.250 nan 0.000 0.440 355 F N 0.819 120.548 119.950 -0.368 0.000 2.069 355 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 355 F C 1.817 177.436 175.800 -0.301 0.000 1.113 355 F CA 1.559 59.323 58.000 -0.393 0.000 1.214 355 F CB -0.368 38.288 39.000 -0.574 0.000 0.978 355 F HN 0.070 nan 8.300 nan 0.000 0.474 356 F N 0.632 120.439 119.950 -0.238 0.000 2.171 356 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 356 F C 2.622 178.356 175.800 -0.110 0.000 1.090 356 F CA 1.670 59.456 58.000 -0.357 0.000 1.293 356 F CB -1.754 37.166 39.000 -0.132 0.000 1.013 356 F HN -0.076 nan 8.300 nan 0.000 0.486 357 T N -0.448 114.156 114.554 0.083 0.000 2.708 357 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 357 T C 1.865 176.574 174.700 0.016 0.000 1.037 357 T CA 1.491 63.630 62.100 0.066 0.000 1.146 357 T CB -0.132 68.751 68.868 0.024 0.000 0.865 357 T HN 0.149 nan 8.240 nan 0.000 0.435 358 E N 0.514 120.679 120.200 -0.057 0.000 2.072 358 E HA 0.020 4.370 4.350 -0.000 0.000 0.190 358 E C 1.913 178.505 176.600 -0.013 0.000 0.982 358 E CA 0.604 56.976 56.400 -0.047 0.000 0.803 358 E CB -0.459 29.199 29.700 -0.070 0.000 0.755 358 E HN 0.405 nan 8.360 nan 0.000 0.453 359 F N 2.541 122.279 119.950 -0.354 0.000 2.186 359 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 359 F C 1.978 177.740 175.800 -0.064 0.000 1.090 359 F CA 1.430 59.228 58.000 -0.338 0.000 1.307 359 F CB -0.331 38.154 39.000 -0.859 0.000 1.019 359 F HN -0.020 nan 8.300 nan 0.000 0.489 360 D N 0.253 120.709 120.400 0.094 0.000 2.123 360 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 360 D C 2.317 178.616 176.300 -0.002 0.000 0.992 360 D CA 2.431 56.468 54.000 0.063 0.000 0.833 360 D CB -0.153 40.790 40.800 0.239 0.000 0.954 360 D HN 0.259 nan 8.370 nan 0.000 0.455 361 K N 0.500 120.908 120.400 0.012 0.000 2.057 361 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 361 K C 2.375 178.958 176.600 -0.028 0.000 1.050 361 K CA 1.412 57.699 56.287 -0.001 0.000 0.935 361 K CB -1.205 31.299 32.500 0.007 0.000 0.715 361 K HN 0.377 nan 8.250 nan 0.000 0.439 362 I N 0.556 121.105 120.570 -0.035 0.000 2.286 362 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 362 I C 2.358 178.410 176.117 -0.109 0.000 1.115 362 I CA 1.117 62.394 61.300 -0.039 0.000 1.392 362 I CB -0.097 37.936 38.000 0.056 0.000 1.065 362 I HN 0.206 nan 8.210 nan 0.000 0.418 363 L N 0.082 121.177 121.223 -0.213 0.000 2.376 363 L HA -0.047 4.293 4.340 -0.000 0.000 0.219 363 L C 1.562 178.379 176.870 -0.088 0.000 1.133 363 L CA 0.332 55.044 54.840 -0.213 0.000 0.816 363 L CB -0.451 41.409 42.059 -0.332 0.000 0.933 363 L HN 0.176 nan 8.230 nan 0.000 0.449 364 R N 0.000 120.466 120.500 -0.057 0.000 2.786 364 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 364 R CA 0.000 56.082 56.100 -0.030 0.000 0.921 364 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 364 R HN 0.000 nan 8.270 nan 0.000 0.535