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 1n15_1_B DATA FIRST_RESID 5 DATA SEQUENCE KAAEQYQGAA SAVDPAHVVR TNGAPDMSES EFNEAKQIYF QRCAGCHGVL DATA SEQUENCE RKGATGKPLT PDITQQRGQQ YLEALITYGT PLGMPNWGSS GELSKEQITL DATA SEQUENCE MAKYIQHTPP QPPEWGMPEM RESWKVLVKP EDRPKKQLND LDLPNLFSVT DATA SEQUENCE LRDAGQIALV DGDSKKIVKV IDTGYAVHIS RMSASGRYLL VIGRDARIDM DATA SEQUENCE IDLWAKEPTK VAEIKIGIEA RSVESSKFKG YEDRYTIAGA YWPPQFAIMD DATA SEQUENCE GETLEPKQIV STRGMTVDTQ TYHPEPRVAA IIASHEHPEF IVNVKETGKV DATA SEQUENCE LLVNYKDIDN LTVTSIGAAP FLHDGGWDSS HRYFMTAANN SNKVAVIDSK DATA SEQUENCE DRRLSALVDV GKTPHPGRGA NFVHPKYGPV WSTSHLGDGS ISLIGTDPKN DATA SEQUENCE HPQYAWKKVA ELQGQGGGSL FIKTHPKSSH LYVDTTFNPD ARISQSVAVF DATA SEQUENCE DLKNLDAKYQ VLPIAEWADL GEGAKRVVQP EYNKRGDEVW FSVWNGKNDS DATA SEQUENCE SALVVVDDKT LKLKAVVKDP RLITPTGKFN VYNTQHDVY 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.616 176.600 0.027 0.000 0.988 5 K CA 0.000 56.298 56.287 0.018 0.000 0.838 5 K CB 0.000 32.508 32.500 0.012 0.000 1.064 6 A N 1.662 124.495 122.820 0.022 0.000 1.873 6 A HA 0.029 4.349 4.320 0.000 0.000 0.215 6 A C 2.261 179.882 177.584 0.063 0.000 1.186 6 A CA 2.071 54.123 52.037 0.026 0.000 0.616 6 A CB -0.569 18.429 19.000 -0.003 0.000 0.823 6 A HN 0.295 nan 8.150 nan 0.000 0.442 7 A N -0.328 122.528 122.820 0.060 0.000 2.067 7 A HA -0.087 4.233 4.320 0.000 0.000 0.219 7 A C 1.826 179.500 177.584 0.149 0.000 1.158 7 A CA 1.401 53.515 52.037 0.128 0.000 0.661 7 A CB -0.436 18.615 19.000 0.085 0.000 0.801 7 A HN 0.658 nan 8.150 nan 0.000 0.452 8 E N -0.536 119.713 120.200 0.083 0.000 2.152 8 E HA -0.144 4.206 4.350 0.000 0.000 0.192 8 E C 1.815 178.447 176.600 0.052 0.000 0.983 8 E CA 0.887 57.320 56.400 0.054 0.000 0.818 8 E CB -0.050 29.669 29.700 0.032 0.000 0.758 8 E HN 0.538 nan 8.360 nan 0.000 0.467 9 Q N -0.431 119.412 119.800 0.071 0.000 2.354 9 Q HA -0.081 4.259 4.340 0.000 0.000 0.203 9 Q C 1.776 177.832 176.000 0.093 0.000 0.933 9 Q CA 0.622 56.461 55.803 0.061 0.000 0.901 9 Q CB -0.231 28.539 28.738 0.054 0.000 1.007 9 Q HN 0.378 nan 8.270 nan 0.000 0.495 10 Y N 2.164 122.460 120.300 -0.006 0.000 2.145 10 Y HA -0.161 4.389 4.550 0.001 0.000 0.286 10 Y C 1.134 177.030 175.900 -0.007 0.000 1.145 10 Y CA 1.680 59.776 58.100 -0.007 0.000 1.148 10 Y CB 0.091 38.547 38.460 -0.007 0.000 0.981 10 Y HN 0.085 nan 8.280 nan 0.000 0.507 11 Q N -0.572 119.138 119.800 -0.151 0.000 2.217 11 Q HA 0.219 4.560 4.340 0.000 0.000 0.226 11 Q C 1.625 177.557 176.000 -0.114 0.000 0.875 11 Q CA 0.281 55.943 55.803 -0.235 0.000 0.974 11 Q CB 0.343 28.996 28.738 -0.142 0.000 1.079 11 Q HN 0.556 nan 8.270 nan 0.000 0.463 12 G N 0.165 108.921 108.800 -0.074 0.000 2.683 12 G HA2 0.214 4.174 3.960 0.000 0.000 0.213 12 G HA3 0.214 4.174 3.960 0.000 0.000 0.213 12 G C 0.641 175.514 174.900 -0.045 0.000 1.142 12 G CA 0.288 45.362 45.100 -0.042 0.000 0.793 12 G HN 0.411 nan 8.290 nan 0.000 0.534 13 A N 0.344 123.127 122.820 -0.062 0.000 2.366 13 A HA 0.679 4.999 4.320 0.000 0.000 0.250 13 A C 0.918 178.473 177.584 -0.048 0.000 1.099 13 A CA 0.336 52.343 52.037 -0.050 0.000 0.794 13 A CB 0.065 19.031 19.000 -0.056 0.000 1.056 13 A HN 0.946 nan 8.150 nan 0.000 0.499 14 A N 0.358 123.157 122.820 -0.036 0.000 2.351 14 A HA 0.515 4.835 4.320 0.000 0.000 0.257 14 A C 0.833 178.395 177.584 -0.036 0.000 1.087 14 A CA 0.479 52.497 52.037 -0.031 0.000 0.798 14 A CB -0.072 18.916 19.000 -0.022 0.000 1.033 14 A HN 1.494 nan 8.150 nan 0.000 0.488 15 S N 0.296 115.977 115.700 -0.032 0.000 2.585 15 S HA 0.377 4.847 4.470 0.000 0.000 0.273 15 S C 1.228 175.812 174.600 -0.027 0.000 1.339 15 S CA -0.014 58.166 58.200 -0.034 0.000 1.028 15 S CB 0.806 63.989 63.200 -0.029 0.000 0.906 15 S HN 1.487 nan 8.310 nan 0.000 0.528 16 A N 3.956 126.759 122.820 -0.030 0.000 2.209 16 A HA 0.236 4.556 4.320 0.000 0.000 0.212 16 A C 0.627 178.199 177.584 -0.020 0.000 1.158 16 A CA 0.164 52.186 52.037 -0.026 0.000 0.742 16 A CB -0.353 18.629 19.000 -0.031 0.000 0.790 16 A HN 0.662 nan 8.150 nan 0.000 0.472 17 V N 1.820 121.724 119.914 -0.017 0.000 2.508 17 V HA 0.091 4.211 4.120 0.000 0.000 0.281 17 V C -0.075 176.028 176.094 0.016 0.000 1.041 17 V CA -0.542 61.754 62.300 -0.006 0.000 1.016 17 V CB 1.069 32.886 31.823 -0.009 0.000 0.984 17 V HN 0.400 nan 8.190 nan 0.000 0.478 18 D N 6.990 127.418 120.400 0.047 0.000 2.325 18 D HA 0.218 4.858 4.640 0.000 0.000 0.251 18 D C -1.448 174.905 176.300 0.089 0.000 1.196 18 D CA -2.011 52.046 54.000 0.095 0.000 0.866 18 D CB 1.893 42.823 40.800 0.217 0.000 1.101 18 D HN 0.216 nan 8.370 nan 0.000 0.476 19 P HA -0.169 nan 4.420 nan 0.000 0.216 19 P C 0.938 178.231 177.300 -0.011 0.000 1.153 19 P CA 1.632 64.738 63.100 0.010 0.000 0.858 19 P CB 0.163 31.861 31.700 -0.004 0.000 0.789 20 A N -1.259 121.537 122.820 -0.040 0.000 2.076 20 A HA -0.219 4.102 4.320 0.000 0.000 0.220 20 A C 1.531 178.955 177.584 -0.267 0.000 1.160 20 A CA 1.646 53.589 52.037 -0.156 0.000 0.653 20 A CB -1.536 17.336 19.000 -0.213 0.000 0.801 20 A HN 0.327 nan 8.150 nan 0.000 0.455 21 H N -1.933 117.127 119.070 -0.016 0.000 2.551 21 H HA 0.304 4.860 4.556 0.000 0.000 0.271 21 H C -0.330 174.987 175.328 -0.017 0.000 0.984 21 H CA 0.104 56.143 56.048 -0.016 0.000 1.164 21 H CB 0.477 30.229 29.762 -0.016 0.000 1.437 21 H HN 0.204 nan 8.280 nan 0.000 0.550 22 V N 2.992 122.939 119.914 0.054 0.000 2.385 22 V HA 0.170 4.290 4.120 0.000 0.000 0.269 22 V C 0.144 176.237 176.094 -0.001 0.000 1.043 22 V CA -0.787 61.528 62.300 0.025 0.000 0.906 22 V CB 0.905 32.736 31.823 0.014 0.000 0.995 22 V HN 0.116 nan 8.190 nan 0.000 0.467 23 V N 2.909 122.823 119.914 -0.001 0.000 2.630 23 V HA 0.652 4.772 4.120 0.000 0.000 0.305 23 V C -0.005 176.079 176.094 -0.018 0.000 1.046 23 V CA -1.105 61.186 62.300 -0.015 0.000 0.934 23 V CB 1.598 33.412 31.823 -0.014 0.000 1.003 23 V HN 0.860 nan 8.190 nan 0.000 0.451 24 R N 2.206 122.691 120.500 -0.025 0.000 2.265 24 R HA 0.458 4.798 4.340 0.000 0.000 0.314 24 R C -0.440 175.840 176.300 -0.034 0.000 1.053 24 R CA -0.218 55.866 56.100 -0.028 0.000 0.931 24 R CB 1.005 31.287 30.300 -0.030 0.000 1.024 24 R HN 0.944 nan 8.270 nan 0.000 0.457 25 T N 4.538 119.071 114.554 -0.035 0.000 2.743 25 T HA 0.332 4.683 4.350 0.000 0.000 0.293 25 T C -0.355 174.306 174.700 -0.064 0.000 0.945 25 T CA -0.416 61.656 62.100 -0.046 0.000 1.030 25 T CB 0.592 69.436 68.868 -0.041 0.000 0.912 25 T HN 0.621 nan 8.240 nan 0.000 0.483 26 N N 0.380 119.031 118.700 -0.081 0.000 3.439 26 N HA 0.393 5.133 4.740 0.000 0.000 0.285 26 N C 0.147 175.590 175.510 -0.112 0.000 1.386 26 N CA 0.471 53.454 53.050 -0.111 0.000 0.824 26 N CB 0.699 39.133 38.487 -0.089 0.000 1.632 26 N HN 0.819 nan 8.380 nan 0.000 0.421 27 G N -0.673 108.055 108.800 -0.121 0.000 2.131 27 G HA2 0.189 4.149 3.960 0.000 0.000 0.201 27 G HA3 0.189 4.149 3.960 0.000 0.000 0.201 27 G C -0.070 174.754 174.900 -0.125 0.000 1.000 27 G CA 0.573 45.615 45.100 -0.097 0.000 0.680 27 G HN 0.869 nan 8.290 nan 0.000 0.514 28 A N 0.485 123.173 122.820 -0.220 0.000 2.279 28 A HA 0.884 5.204 4.320 0.000 0.000 0.303 28 A C -1.487 176.001 177.584 -0.160 0.000 1.108 28 A CA -1.180 50.678 52.037 -0.298 0.000 0.830 28 A CB 0.745 19.262 19.000 -0.805 0.000 1.106 28 A HN 0.284 nan 8.150 nan 0.000 0.493 29 P HA 0.135 nan 4.420 nan 0.000 0.271 29 P C -0.944 176.473 177.300 0.195 0.000 1.216 29 P CA -0.203 62.944 63.100 0.079 0.000 0.771 29 P CB 0.516 32.272 31.700 0.093 0.000 0.864 30 D N 3.429 123.907 120.400 0.130 0.000 2.488 30 D HA 0.167 4.807 4.640 0.000 0.000 0.238 30 D C 0.557 176.947 176.300 0.150 0.000 1.138 30 D CA 0.956 55.043 54.000 0.146 0.000 0.873 30 D CB 0.165 41.012 40.800 0.078 0.000 1.183 30 D HN 0.382 nan 8.370 nan 0.000 0.458 31 M N -0.695 118.992 119.600 0.145 0.000 2.325 31 M HA 0.331 4.811 4.480 0.000 0.000 0.285 31 M C -0.283 176.067 176.300 0.083 0.000 1.119 31 M CA -0.939 54.425 55.300 0.106 0.000 0.959 31 M CB 1.849 34.517 32.600 0.113 0.000 1.737 31 M HN 0.217 nan 8.290 nan 0.000 0.486 32 S N 1.094 116.835 115.700 0.069 0.000 2.634 32 S HA 0.158 4.628 4.470 0.000 0.000 0.254 32 S C 0.730 175.375 174.600 0.076 0.000 1.299 32 S CA 0.440 58.671 58.200 0.052 0.000 0.974 32 S CB 0.905 64.129 63.200 0.040 0.000 1.001 32 S HN 0.940 nan 8.310 nan 0.000 0.584 33 E N 0.059 120.290 120.200 0.052 0.000 2.047 33 E HA -0.125 4.225 4.350 0.000 0.000 0.191 33 E C 2.261 178.922 176.600 0.102 0.000 0.987 33 E CA 1.080 57.523 56.400 0.071 0.000 0.799 33 E CB -0.338 29.381 29.700 0.031 0.000 0.752 33 E HN 0.690 nan 8.360 nan 0.000 0.449 34 S N 0.267 116.005 115.700 0.063 0.000 2.359 34 S HA -0.234 4.236 4.470 0.000 0.000 0.224 34 S C 1.726 176.354 174.600 0.046 0.000 1.035 34 S CA 1.751 59.978 58.200 0.046 0.000 1.018 34 S CB -0.204 63.013 63.200 0.028 0.000 0.876 34 S HN 0.293 nan 8.310 nan 0.000 0.448 35 E N -0.347 119.888 120.200 0.059 0.000 2.015 35 E HA -0.089 4.261 4.350 0.000 0.000 0.191 35 E C 1.851 178.480 176.600 0.049 0.000 0.991 35 E CA 1.358 57.785 56.400 0.044 0.000 0.802 35 E CB -0.403 29.330 29.700 0.055 0.000 0.759 35 E HN 0.639 nan 8.360 nan 0.000 0.447 36 F N 2.640 122.576 119.950 -0.024 0.000 2.091 36 F HA -0.247 4.280 4.527 0.000 0.000 0.299 36 F C 1.896 177.701 175.800 0.008 0.000 1.103 36 F CA 1.535 59.534 58.000 -0.001 0.000 1.228 36 F CB -0.094 38.884 39.000 -0.036 0.000 0.984 36 F HN -0.057 nan 8.300 nan 0.000 0.477 37 N N 0.373 119.175 118.700 0.169 0.000 2.244 37 N HA -0.196 4.544 4.740 0.000 0.000 0.183 37 N C 1.896 177.360 175.510 -0.077 0.000 1.016 37 N CA 1.379 54.471 53.050 0.069 0.000 0.866 37 N CB -0.554 37.996 38.487 0.106 0.000 0.980 37 N HN 0.563 nan 8.380 nan 0.000 0.430 38 E N 0.711 120.858 120.200 -0.087 0.000 2.072 38 E HA -0.052 4.298 4.350 0.000 0.000 0.191 38 E C 1.766 178.232 176.600 -0.223 0.000 0.985 38 E CA 0.839 57.169 56.400 -0.117 0.000 0.801 38 E CB 0.041 29.694 29.700 -0.078 0.000 0.750 38 E HN 0.285 nan 8.360 nan 0.000 0.452 39 A N 1.606 124.225 122.820 -0.336 0.000 1.902 39 A HA -0.201 4.119 4.320 0.000 0.000 0.217 39 A C 2.112 179.176 177.584 -0.865 0.000 1.181 39 A CA 1.669 53.375 52.037 -0.552 0.000 0.623 39 A CB -0.456 18.195 19.000 -0.582 0.000 0.818 39 A HN 0.192 nan 8.150 nan 0.000 0.443 40 K N -0.543 119.327 120.400 -0.883 0.000 2.097 40 K HA -0.212 4.108 4.320 0.000 0.000 0.206 40 K C 2.264 178.802 176.600 -0.103 0.000 1.049 40 K CA 1.644 57.570 56.287 -0.602 0.000 0.933 40 K CB -0.172 32.185 32.500 -0.238 0.000 0.717 40 K HN 0.641 nan 8.250 nan 0.000 0.442 41 Q N 0.545 120.271 119.800 -0.123 0.000 2.079 41 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 41 Q C 2.030 177.999 176.000 -0.051 0.000 0.974 41 Q CA 1.516 57.302 55.803 -0.029 0.000 0.840 41 Q CB -0.012 28.694 28.738 -0.054 0.000 0.898 41 Q HN 0.394 nan 8.270 nan 0.000 0.430 42 I N -0.139 120.333 120.570 -0.162 0.000 2.315 42 I HA -0.269 3.901 4.170 0.000 0.000 0.248 42 I C 2.142 178.100 176.117 -0.265 0.000 1.117 42 I CA 1.045 62.217 61.300 -0.213 0.000 1.404 42 I CB -0.415 37.424 38.000 -0.268 0.000 1.071 42 I HN 0.310 nan 8.210 nan 0.000 0.419 43 Y N 1.221 121.280 120.300 -0.402 0.000 2.165 43 Y HA -0.284 4.266 4.550 0.000 0.000 0.286 43 Y C 2.131 177.782 175.900 -0.415 0.000 1.155 43 Y CA 1.838 59.662 58.100 -0.460 0.000 1.164 43 Y CB -0.304 37.806 38.460 -0.583 0.000 0.978 43 Y HN -0.021 nan 8.280 nan 0.000 0.513 44 F N -0.336 119.569 119.950 -0.075 0.000 2.512 44 F HA -0.045 4.482 4.527 0.000 0.000 0.296 44 F C 2.352 178.089 175.800 -0.105 0.000 1.110 44 F CA 0.945 58.908 58.000 -0.062 0.000 1.446 44 F CB -0.270 38.747 39.000 0.027 0.000 1.092 44 F HN 0.050 nan 8.300 nan 0.000 0.554 45 Q N -0.462 119.349 119.800 0.018 0.000 2.137 45 Q HA -0.054 4.286 4.340 0.000 0.000 0.198 45 Q C 1.903 177.857 176.000 -0.077 0.000 0.960 45 Q CA 0.918 56.715 55.803 -0.009 0.000 0.847 45 Q CB 0.200 28.926 28.738 -0.021 0.000 0.915 45 Q HN 0.174 nan 8.270 nan 0.000 0.448 46 R N -1.491 118.873 120.500 -0.226 0.000 2.225 46 R HA 0.165 4.505 4.340 0.000 0.000 0.194 46 R C 1.831 177.920 176.300 -0.351 0.000 0.949 46 R CA 0.583 56.503 56.100 -0.300 0.000 1.088 46 R CB -0.151 29.786 30.300 -0.605 0.000 1.106 46 R HN 0.249 nan 8.270 nan 0.000 0.566 47 C N 0.270 119.226 119.300 -0.573 0.000 2.609 47 C HA 0.402 4.862 4.460 0.000 0.000 0.305 47 C C 2.660 177.308 174.990 -0.571 0.000 1.319 47 C CA 0.132 58.798 59.018 -0.588 0.000 1.793 47 C CB -0.318 26.881 27.740 -0.902 0.000 2.260 47 C HN 0.434 nan 8.230 nan 0.000 0.535 48 A N 1.936 124.280 122.820 -0.793 0.000 1.917 48 A HA 0.023 4.343 4.320 0.000 0.000 0.219 48 A C 2.370 179.902 177.584 -0.087 0.000 1.182 48 A CA 2.249 54.027 52.037 -0.431 0.000 0.633 48 A CB -1.374 17.426 19.000 -0.333 0.000 0.819 48 A HN 0.553 nan 8.150 nan 0.000 0.448 49 G N -1.102 107.675 108.800 -0.038 0.000 2.505 49 G HA2 -0.326 3.634 3.960 0.000 0.000 0.220 49 G HA3 -0.326 3.634 3.960 0.000 0.000 0.220 49 G C 1.577 176.492 174.900 0.025 0.000 1.145 49 G CA 1.481 46.614 45.100 0.055 0.000 0.761 49 G HN 0.545 nan 8.290 nan 0.000 0.571 50 C N -1.147 118.132 119.300 -0.035 0.000 2.564 50 C HA 0.212 4.672 4.460 0.000 0.000 0.281 50 C C 2.386 177.307 174.990 -0.115 0.000 1.314 50 C CA 0.389 59.342 59.018 -0.109 0.000 1.706 50 C CB -0.791 26.823 27.740 -0.210 0.000 2.109 50 C HN 0.510 nan 8.230 nan 0.000 0.502 51 H N 0.578 119.640 119.070 -0.014 0.000 2.547 51 H HA 0.215 4.771 4.556 0.000 0.000 0.272 51 H C 1.477 176.863 175.328 0.097 0.000 0.989 51 H CA 1.289 57.368 56.048 0.051 0.000 1.214 51 H CB -0.354 29.448 29.762 0.067 0.000 1.389 51 H HN 0.611 nan 8.280 nan 0.000 0.577 52 G N -0.070 108.829 108.800 0.166 0.000 2.814 52 G HA2 -0.262 3.698 3.960 0.000 0.000 0.677 52 G HA3 -0.262 3.698 3.960 0.000 0.000 0.677 52 G C 0.949 175.958 174.900 0.182 0.000 1.429 52 G CA -0.120 45.078 45.100 0.164 0.000 0.868 52 G HN 0.143 nan 8.290 nan 0.000 0.553 53 V N 0.542 120.538 119.914 0.136 0.000 2.358 53 V HA -0.060 4.061 4.120 0.000 0.000 0.246 53 V C 2.530 178.607 176.094 -0.028 0.000 1.047 53 V CA 2.411 64.740 62.300 0.048 0.000 1.035 53 V CB -0.482 31.187 31.823 -0.257 0.000 0.658 53 V HN 0.506 nan 8.190 nan 0.000 0.452 54 L N -0.496 120.735 121.223 0.013 0.000 2.653 54 L HA 0.299 4.639 4.340 0.000 0.000 0.231 54 L C 0.902 177.783 176.870 0.018 0.000 1.153 54 L CA -0.003 54.840 54.840 0.005 0.000 0.933 54 L CB -0.198 41.904 42.059 0.072 0.000 1.175 54 L HN 0.309 nan 8.230 nan 0.000 0.473 55 R N -0.098 120.450 120.500 0.080 0.000 3.656 55 R HA -0.185 4.155 4.340 0.000 0.000 0.297 55 R C 0.153 176.541 176.300 0.148 0.000 1.166 55 R CA 0.707 56.885 56.100 0.129 0.000 0.799 55 R CB -2.016 28.288 30.300 0.006 0.000 1.285 55 R HN 0.390 nan 8.270 nan 0.000 0.477 56 K N -0.720 119.771 120.400 0.153 0.000 2.592 56 K HA 0.167 4.487 4.320 0.000 0.000 0.203 56 K C 1.390 178.166 176.600 0.294 0.000 1.070 56 K CA 0.406 56.781 56.287 0.148 0.000 1.062 56 K CB 1.386 33.841 32.500 -0.075 0.000 0.814 56 K HN 0.301 nan 8.250 nan 0.000 0.502 57 G N 0.672 109.626 108.800 0.257 0.000 2.662 57 G HA2 0.123 4.083 3.960 0.000 0.000 0.212 57 G HA3 0.123 4.083 3.960 0.000 0.000 0.212 57 G C 0.573 175.596 174.900 0.205 0.000 1.141 57 G CA 0.132 45.363 45.100 0.219 0.000 0.797 57 G HN 0.307 nan 8.290 nan 0.000 0.531 58 A N 0.287 123.176 122.820 0.114 0.000 2.242 58 A HA 0.679 5.000 4.320 0.000 0.000 0.304 58 A C 0.811 178.453 177.584 0.097 0.000 1.100 58 A CA 0.207 52.229 52.037 -0.025 0.000 0.860 58 A CB 0.219 19.015 19.000 -0.339 0.000 1.168 58 A HN 0.411 nan 8.150 nan 0.000 0.503 59 T N -1.508 113.028 114.554 -0.031 0.000 2.813 59 T HA 0.567 4.917 4.350 0.000 0.000 0.297 59 T C 0.829 175.571 174.700 0.070 0.000 1.036 59 T CA 0.398 62.520 62.100 0.037 0.000 1.044 59 T CB 0.575 69.377 68.868 -0.109 0.000 0.993 59 T HN 2.606 nan 8.240 nan 0.000 0.535 60 G N 0.970 109.826 108.800 0.093 0.000 2.681 60 G HA2 -0.152 3.808 3.960 0.000 0.000 0.220 60 G HA3 -0.152 3.808 3.960 0.000 0.000 0.220 60 G C -0.714 174.251 174.900 0.109 0.000 1.353 60 G CA -0.503 44.652 45.100 0.092 0.000 0.872 60 G HN 0.961 nan 8.290 nan 0.000 0.557 61 K N 1.783 122.244 120.400 0.101 0.000 2.350 61 K HA 0.393 4.713 4.320 0.000 0.000 0.279 61 K C -1.793 174.877 176.600 0.115 0.000 1.027 61 K CA -0.713 55.626 56.287 0.087 0.000 0.969 61 K CB 0.563 33.096 32.500 0.055 0.000 0.954 61 K HN 0.378 nan 8.250 nan 0.000 0.474 62 P HA 0.033 nan 4.420 nan 0.000 0.272 62 P C -0.198 177.138 177.300 0.061 0.000 1.240 62 P CA -0.137 63.023 63.100 0.100 0.000 0.791 62 P CB 0.509 32.240 31.700 0.051 0.000 0.978 63 L N 0.227 121.474 121.223 0.040 0.000 2.928 63 L HA 0.146 4.486 4.340 0.000 0.000 0.236 63 L C 0.801 177.637 176.870 -0.057 0.000 1.290 63 L CA -0.184 54.638 54.840 -0.031 0.000 1.099 63 L CB -1.105 40.887 42.059 -0.111 0.000 1.437 63 L HN 0.405 nan 8.230 nan 0.000 0.493 64 T N -3.644 110.888 114.554 -0.038 0.000 2.913 64 T HA 0.233 4.583 4.350 0.000 0.000 0.287 64 T C -1.454 173.213 174.700 -0.054 0.000 1.008 64 T CA -1.815 60.253 62.100 -0.053 0.000 1.067 64 T CB 1.324 70.171 68.868 -0.036 0.000 0.996 64 T HN -0.072 nan 8.240 nan 0.000 0.513 65 P HA -0.219 nan 4.420 nan 0.000 0.217 65 P C 1.224 178.492 177.300 -0.053 0.000 1.148 65 P CA 1.478 64.539 63.100 -0.065 0.000 0.834 65 P CB 0.015 31.669 31.700 -0.076 0.000 0.783 66 D N -0.075 120.299 120.400 -0.043 0.000 2.117 66 D HA -0.163 4.478 4.640 0.000 0.000 0.197 66 D C 1.879 178.155 176.300 -0.040 0.000 0.987 66 D CA 1.208 55.186 54.000 -0.036 0.000 0.829 66 D CB -0.906 39.879 40.800 -0.025 0.000 0.961 66 D HN 0.141 nan 8.370 nan 0.000 0.460 67 I N 1.456 122.003 120.570 -0.039 0.000 2.339 67 I HA -0.135 4.035 4.170 0.000 0.000 0.245 67 I C 2.706 178.787 176.117 -0.061 0.000 1.096 67 I CA 1.536 62.807 61.300 -0.047 0.000 1.408 67 I CB -1.701 36.280 38.000 -0.032 0.000 1.092 67 I HN 0.207 nan 8.210 nan 0.000 0.423 68 T N -0.578 113.948 114.554 -0.046 0.000 2.759 68 T HA -0.234 4.116 4.350 0.000 0.000 0.269 68 T C 1.789 176.466 174.700 -0.037 0.000 1.042 68 T CA 1.275 63.353 62.100 -0.036 0.000 1.140 68 T CB -0.551 68.302 68.868 -0.026 0.000 0.864 68 T HN 0.362 nan 8.240 nan 0.000 0.455 69 Q N 0.476 120.249 119.800 -0.045 0.000 2.224 69 Q HA -0.074 4.267 4.340 0.000 0.000 0.203 69 Q C 2.539 178.512 176.000 -0.044 0.000 0.970 69 Q CA 1.118 56.896 55.803 -0.041 0.000 0.865 69 Q CB -0.176 28.532 28.738 -0.051 0.000 0.922 69 Q HN 0.717 nan 8.270 nan 0.000 0.445 70 Q N 0.362 120.126 119.800 -0.060 0.000 2.016 70 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 70 Q C 1.972 177.911 176.000 -0.101 0.000 0.978 70 Q CA 0.960 56.720 55.803 -0.072 0.000 0.833 70 Q CB 0.227 28.916 28.738 -0.081 0.000 0.895 70 Q HN 0.173 nan 8.270 nan 0.000 0.427 71 R N -0.060 120.347 120.500 -0.155 0.000 2.081 71 R HA 0.023 4.363 4.340 0.000 0.000 0.235 71 R C 1.044 177.321 176.300 -0.038 0.000 1.131 71 R CA 1.137 57.087 56.100 -0.250 0.000 0.960 71 R CB -1.032 29.026 30.300 -0.405 0.000 0.856 71 R HN 0.452 nan 8.270 nan 0.000 0.436 72 G N -0.052 108.752 108.800 0.007 0.000 2.707 72 G HA2 -0.212 3.748 3.960 0.000 0.000 0.686 72 G HA3 -0.212 3.748 3.960 0.000 0.000 0.686 72 G C 0.298 175.254 174.900 0.093 0.000 1.315 72 G CA -0.111 45.017 45.100 0.048 0.000 0.832 72 G HN 0.065 nan 8.290 nan 0.000 0.573 73 Q N -0.095 119.750 119.800 0.074 0.000 1.998 73 Q HA -0.196 4.144 4.340 0.000 0.000 0.209 73 Q C 2.883 178.941 176.000 0.097 0.000 1.002 73 Q CA 2.785 58.635 55.803 0.078 0.000 0.858 73 Q CB -0.473 28.300 28.738 0.059 0.000 0.932 73 Q HN 0.790 nan 8.270 nan 0.000 0.416 74 Q N -0.791 119.067 119.800 0.096 0.000 2.014 74 Q HA -0.233 4.107 4.340 0.000 0.000 0.207 74 Q C 1.976 178.048 176.000 0.120 0.000 0.993 74 Q CA 2.007 57.867 55.803 0.095 0.000 0.850 74 Q CB -0.489 28.301 28.738 0.086 0.000 0.916 74 Q HN 0.395 nan 8.270 nan 0.000 0.417 75 Y N 1.242 121.569 120.300 0.045 0.000 2.097 75 Y HA -0.264 4.286 4.550 0.000 0.000 0.282 75 Y C 1.851 177.787 175.900 0.059 0.000 1.152 75 Y CA 1.605 59.737 58.100 0.052 0.000 1.136 75 Y CB -0.322 38.163 38.460 0.041 0.000 0.975 75 Y HN 0.030 nan 8.280 nan 0.000 0.498 76 L N -0.027 121.397 121.223 0.336 0.000 2.012 76 L HA -0.250 4.090 4.340 0.000 0.000 0.210 76 L C 2.461 179.389 176.870 0.098 0.000 1.073 76 L CA 1.951 56.928 54.840 0.228 0.000 0.748 76 L CB -0.658 41.502 42.059 0.168 0.000 0.891 76 L HN 0.286 nan 8.230 nan 0.000 0.431 77 E N 0.014 120.256 120.200 0.070 0.000 2.110 77 E HA -0.226 4.124 4.350 0.000 0.000 0.193 77 E C 2.294 178.895 176.600 0.000 0.000 0.988 77 E CA 1.152 57.570 56.400 0.030 0.000 0.804 77 E CB -0.150 29.568 29.700 0.029 0.000 0.745 77 E HN 0.520 nan 8.360 nan 0.000 0.458 78 A N 1.277 124.100 122.820 0.006 0.000 1.898 78 A HA -0.150 4.170 4.320 0.000 0.000 0.216 78 A C 2.173 179.779 177.584 0.036 0.000 1.181 78 A CA 0.925 52.986 52.037 0.040 0.000 0.620 78 A CB -0.590 18.412 19.000 0.003 0.000 0.819 78 A HN 0.235 nan 8.150 nan 0.000 0.442 79 L N -0.356 120.827 121.223 -0.068 0.000 2.056 79 L HA -0.106 4.234 4.340 0.000 0.000 0.207 79 L C 2.343 179.255 176.870 0.071 0.000 1.078 79 L CA 1.397 56.229 54.840 -0.014 0.000 0.749 79 L CB -0.221 41.832 42.059 -0.009 0.000 0.901 79 L HN 0.425 nan 8.230 nan 0.000 0.433 80 I N -0.877 119.740 120.570 0.078 0.000 2.361 80 I HA -0.288 3.882 4.170 0.000 0.000 0.251 80 I C 2.254 178.432 176.117 0.102 0.000 1.133 80 I CA 1.530 62.917 61.300 0.146 0.000 1.413 80 I CB -0.569 37.480 38.000 0.083 0.000 1.073 80 I HN 0.299 nan 8.210 nan 0.000 0.424 81 T N -0.182 114.315 114.554 -0.096 0.000 2.737 81 T HA -0.155 4.196 4.350 0.000 0.000 0.265 81 T C 1.446 175.828 174.700 -0.530 0.000 1.038 81 T CA 1.627 63.502 62.100 -0.376 0.000 1.144 81 T CB -0.222 68.233 68.868 -0.689 0.000 0.866 81 T HN 0.306 nan 8.240 nan 0.000 0.434 82 Y N 0.504 120.804 120.300 0.000 0.000 2.498 82 Y HA 0.450 5.000 4.550 0.000 0.000 0.259 82 Y C 1.757 177.632 175.900 -0.043 0.000 1.086 82 Y CA -0.156 57.925 58.100 -0.031 0.000 1.287 82 Y CB -0.214 38.222 38.460 -0.040 0.000 1.146 82 Y HN 0.392 nan 8.280 nan 0.000 0.523 83 G N 0.796 109.652 108.800 0.093 0.000 2.593 83 G HA2 -0.069 3.891 3.960 0.000 0.000 0.237 83 G HA3 -0.069 3.891 3.960 0.000 0.000 0.237 83 G C -0.202 174.735 174.900 0.062 0.000 1.312 83 G CA -0.132 45.002 45.100 0.056 0.000 0.896 83 G HN 0.672 nan 8.290 nan 0.000 0.574 84 T N -2.672 111.902 114.554 0.034 0.000 2.894 84 T HA 0.747 5.097 4.350 0.000 0.000 0.309 84 T C -2.013 172.689 174.700 0.002 0.000 1.208 84 T CA -0.118 61.999 62.100 0.027 0.000 1.016 84 T CB 2.681 71.576 68.868 0.045 0.000 1.192 84 T HN 0.767 nan 8.240 nan 0.000 0.491 85 P HA 0.212 nan 4.420 nan 0.000 0.247 85 P C 0.573 177.862 177.300 -0.018 0.000 1.225 85 P CA 0.144 63.235 63.100 -0.015 0.000 0.768 85 P CB 0.010 31.703 31.700 -0.012 0.000 1.020 86 L N -1.113 120.103 121.223 -0.013 0.000 2.965 86 L HA 0.411 4.751 4.340 0.000 0.000 0.254 86 L C 1.297 178.143 176.870 -0.039 0.000 1.220 86 L CA 0.311 55.139 54.840 -0.021 0.000 1.023 86 L CB -0.201 41.854 42.059 -0.006 0.000 1.355 86 L HN 0.093 nan 8.230 nan 0.000 0.545 87 G N 0.455 109.227 108.800 -0.046 0.000 2.211 87 G HA2 -0.264 3.696 3.960 0.000 0.000 0.201 87 G HA3 -0.264 3.696 3.960 0.000 0.000 0.201 87 G C 0.013 174.884 174.900 -0.049 0.000 0.997 87 G CA -0.151 44.910 45.100 -0.066 0.000 0.652 87 G HN 0.200 nan 8.290 nan 0.000 0.500 88 M N 3.707 123.301 119.600 -0.010 0.000 2.069 88 M HA 0.545 5.025 4.480 0.000 0.000 0.349 88 M C -2.012 174.278 176.300 -0.017 0.000 1.194 88 M CA -3.248 52.079 55.300 0.045 0.000 1.081 88 M CB 0.764 33.430 32.600 0.110 0.000 1.500 88 M HN 0.059 nan 8.290 nan 0.000 0.438 89 P HA 0.087 nan 4.420 nan 0.000 0.271 89 P C -1.161 175.867 177.300 -0.453 0.000 1.233 89 P CA -0.049 62.841 63.100 -0.349 0.000 0.789 89 P CB 0.237 31.573 31.700 -0.606 0.000 0.951 90 N N 0.707 119.134 118.700 -0.455 0.000 2.419 90 N HA 0.063 4.803 4.740 0.000 0.000 0.264 90 N C -0.339 174.888 175.510 -0.471 0.000 1.031 90 N CA -0.497 52.360 53.050 -0.321 0.000 0.951 90 N CB 0.664 39.058 38.487 -0.155 0.000 1.101 90 N HN 0.492 nan 8.380 nan 0.000 0.488 91 W N 1.569 122.819 121.300 -0.082 0.000 3.013 91 W HA 0.333 4.993 4.660 0.000 0.000 0.280 91 W C 1.905 178.362 176.519 -0.104 0.000 1.249 91 W CA -0.115 57.182 57.345 -0.080 0.000 1.577 91 W CB 0.505 29.922 29.460 -0.072 0.000 1.057 91 W HN 0.737 nan 8.180 nan 0.000 0.613 92 G N -0.754 108.044 108.800 -0.004 0.000 2.556 92 G HA2 -0.104 3.856 3.960 0.000 0.000 0.209 92 G HA3 -0.104 3.856 3.960 0.000 0.000 0.209 92 G C 1.509 176.347 174.900 -0.103 0.000 1.159 92 G CA 0.722 45.772 45.100 -0.083 0.000 0.828 92 G HN 0.037 nan 8.290 nan 0.000 0.553 93 S N 1.307 116.921 115.700 -0.143 0.000 2.419 93 S HA -0.124 4.346 4.470 0.000 0.000 0.233 93 S C 2.574 177.147 174.600 -0.046 0.000 1.016 93 S CA 1.604 59.768 58.200 -0.060 0.000 0.974 93 S CB -0.164 63.042 63.200 0.010 0.000 0.786 93 S HN 0.571 nan 8.310 nan 0.000 0.492 94 S N 0.293 115.948 115.700 -0.074 0.000 2.528 94 S HA 0.323 4.793 4.470 0.000 0.000 0.219 94 S C 1.562 176.139 174.600 -0.039 0.000 0.985 94 S CA 0.632 58.787 58.200 -0.074 0.000 0.914 94 S CB -0.178 62.938 63.200 -0.140 0.000 0.776 94 S HN 0.720 nan 8.310 nan 0.000 0.526 95 G N 1.265 110.053 108.800 -0.020 0.000 2.148 95 G HA2 -0.283 3.677 3.960 0.000 0.000 0.254 95 G HA3 -0.283 3.677 3.960 0.000 0.000 0.254 95 G C 0.717 175.635 174.900 0.029 0.000 0.981 95 G CA 0.480 45.581 45.100 0.002 0.000 0.670 95 G HN 0.435 nan 8.290 nan 0.000 0.528 96 E N -0.471 119.764 120.200 0.058 0.000 2.031 96 E HA 0.030 4.380 4.350 0.000 0.000 0.193 96 E C 1.611 178.295 176.600 0.140 0.000 0.994 96 E CA 1.009 57.489 56.400 0.133 0.000 0.800 96 E CB -0.022 29.839 29.700 0.268 0.000 0.752 96 E HN 0.676 nan 8.360 nan 0.000 0.447 97 L N 0.033 121.344 121.223 0.147 0.000 2.319 97 L HA 0.264 4.604 4.340 0.000 0.000 0.267 97 L C 0.422 177.313 176.870 0.035 0.000 1.011 97 L CA -0.825 54.058 54.840 0.073 0.000 0.818 97 L CB 1.907 43.997 42.059 0.052 0.000 1.316 97 L HN -0.077 nan 8.230 nan 0.000 0.432 98 S N -0.373 115.332 115.700 0.007 0.000 2.693 98 S HA 0.234 4.704 4.470 0.000 0.000 0.276 98 S C 0.610 175.204 174.600 -0.011 0.000 1.192 98 S CA -0.582 57.617 58.200 -0.003 0.000 0.994 98 S CB 1.777 64.974 63.200 -0.006 0.000 1.012 98 S HN 0.593 nan 8.310 nan 0.000 0.550 99 K N 0.758 121.150 120.400 -0.013 0.000 2.147 99 K HA -0.049 4.271 4.320 0.000 0.000 0.205 99 K C 1.566 178.159 176.600 -0.012 0.000 1.049 99 K CA 1.593 57.871 56.287 -0.016 0.000 0.936 99 K CB -0.734 31.759 32.500 -0.011 0.000 0.722 99 K HN 0.716 nan 8.250 nan 0.000 0.446 100 E N 0.463 120.657 120.200 -0.011 0.000 2.047 100 E HA -0.132 4.218 4.350 0.000 0.000 0.191 100 E C 2.095 178.683 176.600 -0.020 0.000 0.987 100 E CA 1.491 57.885 56.400 -0.010 0.000 0.799 100 E CB -0.128 29.567 29.700 -0.009 0.000 0.752 100 E HN 0.425 nan 8.360 nan 0.000 0.449 101 Q N -0.203 119.579 119.800 -0.030 0.000 2.167 101 Q HA -0.044 4.296 4.340 0.000 0.000 0.202 101 Q C 2.185 178.148 176.000 -0.062 0.000 0.970 101 Q CA 0.888 56.658 55.803 -0.054 0.000 0.855 101 Q CB -0.047 28.654 28.738 -0.061 0.000 0.911 101 Q HN 0.331 nan 8.270 nan 0.000 0.438 102 I N 0.109 120.654 120.570 -0.042 0.000 2.315 102 I HA -0.217 3.953 4.170 0.000 0.000 0.248 102 I C 1.967 178.072 176.117 -0.019 0.000 1.117 102 I CA 0.996 62.273 61.300 -0.038 0.000 1.404 102 I CB -0.201 37.785 38.000 -0.024 0.000 1.071 102 I HN 0.171 nan 8.210 nan 0.000 0.419 103 T N 1.270 115.819 114.554 -0.009 0.000 2.867 103 T HA -0.070 4.280 4.350 0.000 0.000 0.268 103 T C 1.944 176.652 174.700 0.014 0.000 1.057 103 T CA 1.047 63.153 62.100 0.009 0.000 1.136 103 T CB -0.124 68.751 68.868 0.012 0.000 0.874 103 T HN 0.249 nan 8.240 nan 0.000 0.466 104 L N 0.177 121.395 121.223 -0.008 0.000 2.072 104 L HA -0.029 4.311 4.340 0.000 0.000 0.205 104 L C 2.614 179.482 176.870 -0.004 0.000 1.079 104 L CA 0.796 55.628 54.840 -0.012 0.000 0.752 104 L CB -0.416 41.611 42.059 -0.054 0.000 0.906 104 L HN 0.261 nan 8.230 nan 0.000 0.436 105 M N -0.489 119.089 119.600 -0.036 0.000 2.175 105 M HA -0.114 4.366 4.480 0.000 0.000 0.264 105 M C 2.524 178.859 176.300 0.059 0.000 1.063 105 M CA 1.712 57.001 55.300 -0.019 0.000 1.119 105 M CB -1.359 31.184 32.600 -0.095 0.000 1.377 105 M HN 0.241 nan 8.290 nan 0.000 0.415 106 A N 0.197 123.044 122.820 0.044 0.000 1.969 106 A HA -0.150 4.170 4.320 0.000 0.000 0.218 106 A C 2.315 179.950 177.584 0.085 0.000 1.169 106 A CA 1.457 53.532 52.037 0.063 0.000 0.635 106 A CB -0.410 18.624 19.000 0.057 0.000 0.810 106 A HN 0.477 nan 8.150 nan 0.000 0.445 107 K N -1.951 118.510 120.400 0.102 0.000 2.076 107 K HA -0.051 4.269 4.320 0.000 0.000 0.204 107 K C 1.956 178.688 176.600 0.219 0.000 1.051 107 K CA 1.265 57.642 56.287 0.151 0.000 0.949 107 K CB -0.333 32.250 32.500 0.139 0.000 0.726 107 K HN 0.557 nan 8.250 nan 0.000 0.443 108 Y N 2.592 122.887 120.300 -0.008 0.000 2.097 108 Y HA -0.207 4.343 4.550 0.000 0.000 0.282 108 Y C 1.827 177.704 175.900 -0.037 0.000 1.152 108 Y CA 1.694 59.725 58.100 -0.115 0.000 1.136 108 Y CB -0.240 38.059 38.460 -0.269 0.000 0.975 108 Y HN 0.041 nan 8.280 nan 0.000 0.498 109 I N -1.148 119.400 120.570 -0.037 0.000 3.334 109 I HA -0.102 4.068 4.170 0.000 0.000 0.282 109 I C 1.365 177.428 176.117 -0.091 0.000 1.313 109 I CA 1.052 62.266 61.300 -0.144 0.000 1.396 109 I CB -0.505 37.469 38.000 -0.043 0.000 1.054 109 I HN 0.328 nan 8.210 nan 0.000 0.495 110 Q N 0.071 119.868 119.800 -0.005 0.000 2.360 110 Q HA 0.200 4.540 4.340 0.000 0.000 0.202 110 Q C 0.123 176.074 176.000 -0.082 0.000 0.915 110 Q CA 0.079 55.868 55.803 -0.023 0.000 0.943 110 Q CB 0.296 29.037 28.738 0.005 0.000 1.064 110 Q HN 0.666 nan 8.270 nan 0.000 0.511 111 H N -0.264 118.723 119.070 -0.139 0.000 2.544 111 H HA 0.227 4.783 4.556 0.000 0.000 0.342 111 H C -0.146 175.089 175.328 -0.154 0.000 1.185 111 H CA -0.494 55.489 56.048 -0.108 0.000 1.264 111 H CB 1.484 31.233 29.762 -0.021 0.000 1.607 111 H HN -0.066 nan 8.280 nan 0.000 0.550 112 T N 3.796 118.362 114.554 0.020 0.000 2.928 112 T HA 0.061 4.411 4.350 0.000 0.000 0.305 112 T C -2.189 172.483 174.700 -0.047 0.000 1.035 112 T CA -0.878 61.206 62.100 -0.027 0.000 1.145 112 T CB 0.194 69.056 68.868 -0.010 0.000 0.963 112 T HN 0.290 nan 8.240 nan 0.000 0.545 113 P HA 0.205 nan 4.420 nan 0.000 0.266 113 P C -2.294 174.999 177.300 -0.012 0.000 1.215 113 P CA -1.033 61.990 63.100 -0.128 0.000 0.763 113 P CB -0.310 31.315 31.700 -0.125 0.000 0.806 114 P HA 0.051 nan 4.420 nan 0.000 0.267 114 P C -0.410 176.932 177.300 0.071 0.000 1.200 114 P CA 0.131 63.311 63.100 0.133 0.000 0.772 114 P CB 0.426 32.294 31.700 0.280 0.000 0.855 115 Q N 2.835 122.669 119.800 0.057 0.000 2.278 115 Q HA 0.375 4.715 4.340 0.000 0.000 0.257 115 Q C -2.052 173.968 176.000 0.034 0.000 0.928 115 Q CA -1.505 54.326 55.803 0.046 0.000 0.932 115 Q CB 0.697 29.493 28.738 0.097 0.000 1.221 115 Q HN 0.373 nan 8.270 nan 0.000 0.434 116 P HA 0.340 nan 4.420 nan 0.000 0.278 116 P C -2.420 175.043 177.300 0.272 0.000 1.258 116 P CA -1.253 61.844 63.100 -0.006 0.000 0.811 116 P CB 0.093 31.582 31.700 -0.352 0.000 1.063 117 P HA 0.118 nan 4.420 nan 0.000 0.274 117 P C -0.337 177.233 177.300 0.450 0.000 1.231 117 P CA -0.045 63.247 63.100 0.320 0.000 0.790 117 P CB 0.879 32.737 31.700 0.264 0.000 0.951 118 E N 0.545 120.927 120.200 0.304 0.000 2.369 118 E HA 0.169 4.519 4.350 0.000 0.000 0.255 118 E C -0.697 176.073 176.600 0.283 0.000 1.172 118 E CA 0.084 56.614 56.400 0.217 0.000 0.932 118 E CB 0.730 30.490 29.700 0.100 0.000 1.040 118 E HN 0.592 nan 8.360 nan 0.000 0.454 119 W N 1.251 122.538 121.300 -0.023 0.000 2.538 119 W HA 0.403 5.064 4.660 0.000 0.000 0.291 119 W C -0.636 175.858 176.519 -0.041 0.000 1.020 119 W CA -0.384 56.955 57.345 -0.010 0.000 1.375 119 W CB 0.938 30.397 29.460 -0.001 0.000 1.247 119 W HN 0.544 nan 8.180 nan 0.000 0.377 120 G N 2.105 110.772 108.800 -0.222 0.000 2.583 120 G HA2 0.268 4.228 3.960 0.000 0.000 0.280 120 G HA3 0.268 4.228 3.960 0.000 0.000 0.280 120 G C 0.417 175.175 174.900 -0.237 0.000 1.376 120 G CA -0.465 44.532 45.100 -0.171 0.000 1.043 120 G HN 0.366 nan 8.290 nan 0.000 0.538 121 M N 0.332 119.842 119.600 -0.151 0.000 2.106 121 M HA 0.007 4.487 4.480 0.000 0.000 0.259 121 M C -0.411 175.799 176.300 -0.150 0.000 1.068 121 M CA 1.737 56.961 55.300 -0.127 0.000 1.100 121 M CB -1.075 31.468 32.600 -0.094 0.000 1.351 121 M HN 0.269 nan 8.290 nan 0.000 0.404 122 P HA -0.103 nan 4.420 nan 0.000 0.216 122 P C 0.942 178.092 177.300 -0.250 0.000 1.153 122 P CA 1.328 64.331 63.100 -0.162 0.000 0.848 122 P CB 0.002 31.614 31.700 -0.146 0.000 0.787 123 E N -1.424 118.486 120.200 -0.484 0.000 2.106 123 E HA -0.075 4.275 4.350 0.000 0.000 0.192 123 E C 2.048 178.298 176.600 -0.584 0.000 0.984 123 E CA 1.105 56.995 56.400 -0.850 0.000 0.806 123 E CB -0.642 27.931 29.700 -1.879 0.000 0.750 123 E HN 0.194 nan 8.360 nan 0.000 0.458 124 M N -0.115 119.258 119.600 -0.378 0.000 2.099 124 M HA -0.131 4.349 4.480 0.000 0.000 0.262 124 M C 2.136 178.511 176.300 0.124 0.000 1.067 124 M CA 1.462 56.802 55.300 0.066 0.000 1.124 124 M CB -0.115 32.527 32.600 0.070 0.000 1.353 124 M HN 0.014 nan 8.290 nan 0.000 0.410 125 R N -0.255 120.281 120.500 0.061 0.000 2.092 125 R HA -0.178 4.162 4.340 0.000 0.000 0.231 125 R C 2.057 178.486 176.300 0.216 0.000 1.119 125 R CA 1.463 57.683 56.100 0.200 0.000 0.970 125 R CB -0.413 29.970 30.300 0.138 0.000 0.864 125 R HN 0.285 nan 8.270 nan 0.000 0.440 126 E N 1.213 121.463 120.200 0.084 0.000 2.085 126 E HA -0.175 4.175 4.350 0.000 0.000 0.194 126 E C 1.800 178.473 176.600 0.121 0.000 0.994 126 E CA 2.173 58.610 56.400 0.062 0.000 0.801 126 E CB -0.112 29.579 29.700 -0.015 0.000 0.743 126 E HN 0.279 nan 8.360 nan 0.000 0.453 127 S N -1.025 114.790 115.700 0.192 0.000 2.461 127 S HA -0.070 4.400 4.470 0.000 0.000 0.228 127 S C 0.626 175.383 174.600 0.262 0.000 1.005 127 S CA 0.107 58.457 58.200 0.250 0.000 0.942 127 S CB -0.616 62.817 63.200 0.388 0.000 0.776 127 S HN 0.427 nan 8.310 nan 0.000 0.514 128 W N 3.472 124.816 121.300 0.073 0.000 2.223 128 W HA 0.457 5.117 4.660 -0.000 0.000 0.334 128 W C -0.464 176.075 176.519 0.033 0.000 1.334 128 W CA -0.798 56.577 57.345 0.049 0.000 1.246 128 W CB 0.098 29.578 29.460 0.034 0.000 1.184 128 W HN 0.056 nan 8.180 nan 0.000 0.563 129 K N 4.863 125.109 120.400 -0.256 0.000 2.553 129 K HA 0.389 4.710 4.320 0.000 0.000 0.250 129 K C -1.627 174.760 176.600 -0.355 0.000 0.953 129 K CA -1.016 55.043 56.287 -0.380 0.000 0.800 129 K CB 2.193 34.618 32.500 -0.125 0.000 1.243 129 K HN 0.114 nan 8.250 nan 0.000 0.435 130 V N 5.397 125.053 119.914 -0.429 0.000 2.294 130 V HA 0.146 4.266 4.120 0.000 0.000 0.272 130 V C 1.131 177.149 176.094 -0.127 0.000 1.027 130 V CA -0.377 61.798 62.300 -0.209 0.000 0.823 130 V CB 0.590 32.286 31.823 -0.212 0.000 1.030 130 V HN 0.764 nan 8.190 nan 0.000 0.457 131 L N 4.293 125.480 121.223 -0.060 0.000 2.109 131 L HA 0.086 4.426 4.340 0.000 0.000 0.207 131 L C 0.347 177.209 176.870 -0.014 0.000 1.086 131 L CA 1.094 55.915 54.840 -0.032 0.000 0.760 131 L CB 0.045 42.102 42.059 -0.004 0.000 0.910 131 L HN 0.439 nan 8.230 nan 0.000 0.437 132 V N 0.218 120.132 119.914 0.001 0.000 2.532 132 V HA 0.187 4.307 4.120 0.000 0.000 0.294 132 V C -0.325 175.783 176.094 0.022 0.000 1.036 132 V CA -1.152 61.159 62.300 0.018 0.000 0.876 132 V CB 1.609 33.458 31.823 0.044 0.000 1.012 132 V HN 0.095 nan 8.190 nan 0.000 0.432 133 K N 4.933 125.341 120.400 0.013 0.000 2.485 133 K HA 0.116 4.436 4.320 0.000 0.000 0.277 133 K C -1.634 174.990 176.600 0.039 0.000 0.990 133 K CA -1.048 55.251 56.287 0.019 0.000 0.994 133 K CB 0.772 33.279 32.500 0.012 0.000 0.906 133 K HN 0.308 nan 8.250 nan 0.000 0.488 134 P HA -0.214 nan 4.420 nan 0.000 0.217 134 P C 0.225 177.561 177.300 0.059 0.000 1.148 134 P CA 1.395 64.525 63.100 0.051 0.000 0.834 134 P CB 0.269 31.989 31.700 0.033 0.000 0.783 135 E N -0.853 119.375 120.200 0.046 0.000 2.107 135 E HA -0.127 4.223 4.350 0.000 0.000 0.191 135 E C 1.391 178.021 176.600 0.049 0.000 0.982 135 E CA 1.050 57.476 56.400 0.045 0.000 0.809 135 E CB -0.840 28.880 29.700 0.033 0.000 0.756 135 E HN 0.312 nan 8.360 nan 0.000 0.459 136 D N 0.402 120.830 120.400 0.047 0.000 2.349 136 D HA 0.016 4.656 4.640 0.000 0.000 0.224 136 D C 0.179 176.518 176.300 0.066 0.000 1.029 136 D CA 0.286 54.314 54.000 0.048 0.000 0.879 136 D CB 0.117 40.939 40.800 0.036 0.000 0.906 136 D HN 0.098 nan 8.370 nan 0.000 0.528 137 R N 0.972 121.523 120.500 0.085 0.000 2.528 137 R HA 0.377 4.717 4.340 0.000 0.000 0.271 137 R C -2.248 174.129 176.300 0.129 0.000 1.056 137 R CA -1.470 54.698 56.100 0.114 0.000 1.117 137 R CB 0.025 30.411 30.300 0.145 0.000 1.085 137 R HN -0.129 nan 8.270 nan 0.000 0.530 138 P HA -0.020 nan 4.420 nan 0.000 0.268 138 P C -0.096 177.348 177.300 0.240 0.000 1.208 138 P CA 0.019 63.223 63.100 0.173 0.000 0.777 138 P CB 0.623 32.443 31.700 0.200 0.000 0.875 139 K N 1.308 121.809 120.400 0.168 0.000 2.379 139 K HA 0.069 4.389 4.320 0.000 0.000 0.194 139 K C 0.643 177.331 176.600 0.147 0.000 1.031 139 K CA 0.846 57.243 56.287 0.182 0.000 1.037 139 K CB 0.096 32.651 32.500 0.091 0.000 0.824 139 K HN 0.586 nan 8.250 nan 0.000 0.516 140 K N -0.817 119.556 120.400 -0.045 0.000 2.533 140 K HA 0.225 4.546 4.320 0.000 0.000 0.284 140 K C -0.921 175.265 176.600 -0.689 0.000 1.025 140 K CA -0.902 55.038 56.287 -0.579 0.000 0.900 140 K CB 1.064 33.340 32.500 -0.375 0.000 1.519 140 K HN -0.235 nan 8.250 nan 0.000 0.432 141 Q N 1.296 120.413 119.800 -1.138 0.000 2.271 141 Q HA 0.099 4.439 4.340 0.000 0.000 0.273 141 Q C -0.224 175.594 176.000 -0.304 0.000 1.051 141 Q CA -0.070 55.271 55.803 -0.770 0.000 0.901 141 Q CB 0.402 28.690 28.738 -0.751 0.000 1.174 141 Q HN 0.643 nan 8.270 nan 0.000 0.385 142 L N 3.527 124.675 121.223 -0.125 0.000 2.700 142 L HA 0.199 4.539 4.340 0.000 0.000 0.234 142 L C -0.279 176.571 176.870 -0.032 0.000 1.156 142 L CA -0.261 54.544 54.840 -0.058 0.000 0.946 142 L CB -0.524 41.533 42.059 -0.004 0.000 1.216 142 L HN 0.608 nan 8.230 nan 0.000 0.493 143 N N -2.190 116.488 118.700 -0.036 0.000 2.509 143 N HA 0.221 4.961 4.740 0.000 0.000 0.280 143 N C -0.361 175.134 175.510 -0.026 0.000 1.306 143 N CA -0.823 52.220 53.050 -0.011 0.000 0.782 143 N CB 0.777 39.276 38.487 0.021 0.000 1.493 143 N HN -0.046 nan 8.380 nan 0.000 0.498 144 D N -0.213 120.181 120.400 -0.010 0.000 2.463 144 D HA 0.141 4.781 4.640 0.000 0.000 0.224 144 D C -0.219 176.084 176.300 0.005 0.000 1.174 144 D CA -0.295 53.697 54.000 -0.013 0.000 0.829 144 D CB -0.283 40.509 40.800 -0.013 0.000 0.993 144 D HN 0.403 nan 8.370 nan 0.000 0.497 145 L N 0.513 121.748 121.223 0.019 0.000 2.467 145 L HA 0.096 4.436 4.340 0.000 0.000 0.270 145 L C 0.738 177.631 176.870 0.039 0.000 1.205 145 L CA -0.092 54.771 54.840 0.037 0.000 0.828 145 L CB 0.546 42.637 42.059 0.053 0.000 1.101 145 L HN -0.097 nan 8.230 nan 0.000 0.479 146 D N 2.299 122.727 120.400 0.047 0.000 2.522 146 D HA 0.145 4.785 4.640 0.000 0.000 0.218 146 D C 1.133 177.469 176.300 0.060 0.000 1.149 146 D CA -0.034 53.995 54.000 0.047 0.000 0.981 146 D CB 0.443 41.271 40.800 0.046 0.000 1.041 146 D HN 0.379 nan 8.370 nan 0.000 0.518 147 L N 2.824 124.091 121.223 0.074 0.000 2.043 147 L HA -0.135 4.206 4.340 0.000 0.000 0.212 147 L C -0.511 176.408 176.870 0.081 0.000 1.075 147 L CA 1.206 56.099 54.840 0.088 0.000 0.752 147 L CB -1.460 40.677 42.059 0.129 0.000 0.891 147 L HN 0.297 nan 8.230 nan 0.000 0.432 148 P HA -0.129 nan 4.420 nan 0.000 0.222 148 P C 0.906 178.239 177.300 0.055 0.000 1.147 148 P CA 1.241 64.423 63.100 0.137 0.000 0.790 148 P CB -0.005 31.786 31.700 0.152 0.000 0.780 149 N N -1.507 117.201 118.700 0.013 0.000 2.235 149 N HA 0.054 4.794 4.740 0.000 0.000 0.209 149 N C -0.123 175.359 175.510 -0.047 0.000 1.122 149 N CA -0.117 52.915 53.050 -0.029 0.000 0.845 149 N CB -0.407 38.106 38.487 0.044 0.000 1.004 149 N HN -0.082 nan 8.380 nan 0.000 0.499 150 L N 0.718 121.914 121.223 -0.044 0.000 2.417 150 L HA 0.336 4.677 4.340 0.000 0.000 0.268 150 L C -0.682 176.104 176.870 -0.140 0.000 1.158 150 L CA 0.225 55.071 54.840 0.010 0.000 0.819 150 L CB 0.105 42.185 42.059 0.036 0.000 1.112 150 L HN -0.010 nan 8.230 nan 0.000 0.458 151 F N 1.822 121.691 119.950 -0.134 0.000 2.426 151 F HA 0.302 4.830 4.527 0.000 0.000 0.348 151 F C 0.485 176.251 175.800 -0.056 0.000 1.124 151 F CA -0.400 57.492 58.000 -0.179 0.000 1.008 151 F CB 1.739 40.502 39.000 -0.395 0.000 1.139 151 F HN 0.371 nan 8.300 nan 0.000 0.452 152 S N 4.080 119.858 115.700 0.131 0.000 2.399 152 S HA 0.568 5.038 4.470 0.000 0.000 0.301 152 S C -0.691 174.010 174.600 0.168 0.000 1.093 152 S CA -0.482 57.804 58.200 0.144 0.000 1.077 152 S CB -0.174 63.109 63.200 0.138 0.000 0.980 152 S HN 0.358 nan 8.310 nan 0.000 0.494 153 V N 5.190 125.173 119.914 0.116 0.000 2.483 153 V HA 0.398 4.518 4.120 0.000 0.000 0.295 153 V C 0.536 176.653 176.094 0.038 0.000 1.035 153 V CA -0.780 61.557 62.300 0.061 0.000 0.896 153 V CB 1.894 33.748 31.823 0.052 0.000 0.986 153 V HN 0.793 nan 8.190 nan 0.000 0.447 154 T N 6.256 120.806 114.554 -0.006 0.000 2.729 154 T HA 0.399 4.749 4.350 0.000 0.000 0.296 154 T C 0.210 174.869 174.700 -0.068 0.000 0.928 154 T CA -0.087 61.991 62.100 -0.037 0.000 1.045 154 T CB 0.062 68.881 68.868 -0.082 0.000 0.902 154 T HN 0.399 nan 8.240 nan 0.000 0.500 155 L N 4.731 125.932 121.223 -0.037 0.000 2.512 155 L HA 0.342 4.682 4.340 0.000 0.000 0.247 155 L C 1.988 178.830 176.870 -0.046 0.000 1.204 155 L CA -0.536 54.290 54.840 -0.023 0.000 1.153 155 L CB -0.206 41.861 42.059 0.013 0.000 1.415 155 L HN 0.663 nan 8.230 nan 0.000 0.406 156 R N 1.180 121.621 120.500 -0.098 0.000 2.264 156 R HA -0.252 4.088 4.340 0.000 0.000 0.223 156 R C 1.140 177.331 176.300 -0.181 0.000 1.090 156 R CA 2.774 58.776 56.100 -0.163 0.000 0.857 156 R CB 0.051 30.266 30.300 -0.142 0.000 0.835 156 R HN 0.531 nan 8.270 nan 0.000 0.428 157 D N -0.391 119.994 120.400 -0.025 0.000 2.263 157 D HA -0.096 4.544 4.640 0.000 0.000 0.208 157 D C 1.465 177.880 176.300 0.192 0.000 0.971 157 D CA 1.276 55.342 54.000 0.110 0.000 0.867 157 D CB -0.140 40.783 40.800 0.204 0.000 0.929 157 D HN 0.479 nan 8.370 nan 0.000 0.492 158 A N 0.090 122.970 122.820 0.100 0.000 2.119 158 A HA 0.317 4.637 4.320 0.000 0.000 0.217 158 A C 1.823 179.479 177.584 0.120 0.000 1.153 158 A CA 1.046 53.148 52.037 0.109 0.000 0.692 158 A CB -0.523 18.520 19.000 0.071 0.000 0.799 158 A HN 0.268 nan 8.150 nan 0.000 0.458 159 G N -1.053 107.801 108.800 0.090 0.000 2.272 159 G HA2 -0.197 3.763 3.960 0.000 0.000 0.280 159 G HA3 -0.197 3.763 3.960 0.000 0.000 0.280 159 G C -0.179 174.759 174.900 0.065 0.000 1.067 159 G CA 0.614 45.779 45.100 0.109 0.000 0.902 159 G HN 0.727 nan 8.290 nan 0.000 0.500 160 Q N -1.708 118.110 119.800 0.030 0.000 2.707 160 Q HA 0.755 5.095 4.340 0.000 0.000 0.307 160 Q C -0.354 175.656 176.000 0.018 0.000 0.934 160 Q CA -0.841 54.982 55.803 0.033 0.000 0.753 160 Q CB 1.884 30.647 28.738 0.043 0.000 1.478 160 Q HN 0.862 nan 8.270 nan 0.000 0.458 161 I N -2.475 118.113 120.570 0.029 0.000 2.969 161 I HA 0.963 5.134 4.170 0.000 0.000 0.307 161 I C -1.499 174.645 176.117 0.046 0.000 1.149 161 I CA -0.839 60.481 61.300 0.034 0.000 1.008 161 I CB 2.342 40.366 38.000 0.040 0.000 1.232 161 I HN 0.552 nan 8.210 nan 0.000 0.435 162 A N 5.255 128.107 122.820 0.054 0.000 2.356 162 A HA 0.832 5.152 4.320 0.000 0.000 0.310 162 A C -0.983 176.650 177.584 0.082 0.000 1.075 162 A CA -0.623 51.453 52.037 0.064 0.000 0.746 162 A CB 1.050 20.086 19.000 0.061 0.000 1.221 162 A HN 0.788 nan 8.150 nan 0.000 0.443 163 L N 2.968 124.241 121.223 0.083 0.000 2.265 163 L HA 0.474 4.814 4.340 0.000 0.000 0.288 163 L C -0.639 176.298 176.870 0.113 0.000 1.058 163 L CA -0.654 54.244 54.840 0.097 0.000 0.809 163 L CB 1.255 43.364 42.059 0.082 0.000 1.179 163 L HN 0.435 nan 8.230 nan 0.000 0.429 164 V N 2.220 122.224 119.914 0.149 0.000 2.513 164 V HA 0.226 4.346 4.120 0.000 0.000 0.299 164 V C -0.002 176.211 176.094 0.199 0.000 1.035 164 V CA -0.782 61.620 62.300 0.169 0.000 0.889 164 V CB 2.164 34.106 31.823 0.199 0.000 0.988 164 V HN 0.673 nan 8.190 nan 0.000 0.440 165 D N 2.933 123.445 120.400 0.186 0.000 2.348 165 D HA 0.157 4.798 4.640 0.000 0.000 0.253 165 D C 1.169 177.634 176.300 0.275 0.000 1.161 165 D CA 0.509 54.623 54.000 0.188 0.000 0.876 165 D CB 2.165 43.046 40.800 0.136 0.000 1.160 165 D HN 0.669 nan 8.370 nan 0.000 0.459 166 G N 3.957 112.935 108.800 0.296 0.000 2.459 166 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 166 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 166 G C 1.118 176.251 174.900 0.389 0.000 1.183 166 G CA 0.620 45.962 45.100 0.403 0.000 0.776 166 G HN 0.504 nan 8.290 nan 0.000 0.552 167 D N 0.236 120.776 120.400 0.234 0.000 2.137 167 D HA -0.058 4.582 4.640 0.000 0.000 0.202 167 D C 2.974 179.345 176.300 0.118 0.000 0.970 167 D CA 1.498 55.595 54.000 0.162 0.000 0.837 167 D CB -0.306 40.558 40.800 0.108 0.000 0.981 167 D HN 0.443 nan 8.370 nan 0.000 0.475 168 S N -0.322 115.445 115.700 0.112 0.000 2.496 168 S HA -0.023 4.447 4.470 0.000 0.000 0.224 168 S C 0.903 175.540 174.600 0.062 0.000 0.996 168 S CA 0.276 58.519 58.200 0.072 0.000 0.927 168 S CB 0.151 63.390 63.200 0.065 0.000 0.774 168 S HN -0.059 nan 8.310 nan 0.000 0.524 169 K N 0.227 120.694 120.400 0.112 0.000 3.160 169 K HA -0.114 4.206 4.320 0.000 0.000 0.280 169 K C -0.641 175.993 176.600 0.058 0.000 1.154 169 K CA 1.017 57.345 56.287 0.069 0.000 0.822 169 K CB -1.962 30.491 32.500 -0.078 0.000 1.239 169 K HN 0.646 nan 8.250 nan 0.000 0.489 170 K N -0.184 120.268 120.400 0.087 0.000 2.281 170 K HA 0.524 4.844 4.320 0.000 0.000 0.242 170 K C 0.077 176.728 176.600 0.086 0.000 0.971 170 K CA -0.977 55.349 56.287 0.066 0.000 0.834 170 K CB 1.542 34.072 32.500 0.050 0.000 1.181 170 K HN -0.032 nan 8.250 nan 0.000 0.435 171 I N 2.588 123.199 120.570 0.068 0.000 2.379 171 I HA -0.040 4.130 4.170 0.000 0.000 0.290 171 I C 1.130 177.286 176.117 0.065 0.000 1.063 171 I CA -0.142 61.202 61.300 0.072 0.000 1.351 171 I CB 1.044 39.080 38.000 0.060 0.000 1.410 171 I HN 0.461 nan 8.210 nan 0.000 0.505 172 V N 5.541 125.498 119.914 0.073 0.000 2.535 172 V HA -0.016 4.104 4.120 0.000 0.000 0.246 172 V C 0.544 176.672 176.094 0.057 0.000 1.045 172 V CA 1.314 63.653 62.300 0.064 0.000 1.058 172 V CB -0.279 31.587 31.823 0.072 0.000 0.689 172 V HN 0.740 nan 8.190 nan 0.000 0.461 173 K N -0.965 119.470 120.400 0.060 0.000 2.557 173 K HA 0.516 4.836 4.320 0.000 0.000 0.261 173 K C -1.841 174.792 176.600 0.054 0.000 0.932 173 K CA -0.315 56.005 56.287 0.054 0.000 0.829 173 K CB 2.266 34.799 32.500 0.055 0.000 1.358 173 K HN -0.177 nan 8.250 nan 0.000 0.430 174 V N 5.340 125.283 119.914 0.049 0.000 2.409 174 V HA 0.565 4.685 4.120 0.000 0.000 0.291 174 V C -0.384 175.738 176.094 0.046 0.000 1.020 174 V CA -0.647 61.682 62.300 0.048 0.000 0.848 174 V CB 1.276 33.126 31.823 0.045 0.000 0.990 174 V HN 0.656 nan 8.190 nan 0.000 0.430 175 I N 3.360 123.958 120.570 0.047 0.000 2.474 175 I HA 0.427 4.597 4.170 0.000 0.000 0.294 175 I C -0.531 175.613 176.117 0.045 0.000 1.005 175 I CA -0.775 60.552 61.300 0.045 0.000 1.113 175 I CB 2.063 40.090 38.000 0.047 0.000 1.289 175 I HN 0.468 nan 8.210 nan 0.000 0.436 176 D N 4.658 125.086 120.400 0.045 0.000 2.351 176 D HA 0.299 4.939 4.640 0.000 0.000 0.251 176 D C 0.338 176.667 176.300 0.048 0.000 1.137 176 D CA 0.375 54.405 54.000 0.049 0.000 0.879 176 D CB 1.501 42.331 40.800 0.049 0.000 1.181 176 D HN 0.680 nan 8.370 nan 0.000 0.448 177 T N -1.464 113.121 114.554 0.051 0.000 2.604 177 T HA 0.667 5.017 4.350 0.000 0.000 0.267 177 T C 0.595 175.331 174.700 0.061 0.000 0.923 177 T CA -0.963 61.165 62.100 0.047 0.000 1.077 177 T CB 0.793 69.680 68.868 0.032 0.000 1.392 177 T HN 0.211 nan 8.240 nan 0.000 0.531 178 G N -0.784 108.049 108.800 0.055 0.000 2.616 178 G HA2 0.428 4.388 3.960 0.000 0.000 0.268 178 G HA3 0.428 4.388 3.960 0.000 0.000 0.268 178 G C -1.079 173.890 174.900 0.115 0.000 1.213 178 G CA -0.617 44.531 45.100 0.080 0.000 0.926 178 G HN 0.681 nan 8.290 nan 0.000 0.523 179 Y N 0.914 121.228 120.300 0.023 0.000 2.526 179 Y HA 0.298 4.848 4.550 0.000 0.000 0.330 179 Y C 0.936 176.863 175.900 0.045 0.000 1.156 179 Y CA 0.236 58.358 58.100 0.036 0.000 1.419 179 Y CB 0.295 38.778 38.460 0.038 0.000 1.250 179 Y HN 1.256 nan 8.280 nan 0.000 0.540 180 A N 4.129 126.542 122.820 -0.679 0.000 2.312 180 A HA -0.166 4.154 4.320 0.000 0.000 0.286 180 A C 0.129 177.603 177.584 -0.184 0.000 1.425 180 A CA 0.579 52.307 52.037 -0.515 0.000 0.748 180 A CB -2.518 16.078 19.000 -0.673 0.000 1.126 180 A HN 0.702 nan 8.150 nan 0.000 0.368 181 V N 1.422 121.270 119.914 -0.111 0.000 2.790 181 V HA -0.101 4.019 4.120 0.000 0.000 0.304 181 V C 1.691 177.769 176.094 -0.026 0.000 1.142 181 V CA 1.726 64.003 62.300 -0.037 0.000 1.282 181 V CB 0.442 32.250 31.823 -0.024 0.000 0.877 181 V HN 0.869 nan 8.190 nan 0.000 0.504 182 H N 4.135 123.173 119.070 -0.053 0.000 2.439 182 H HA 0.396 4.952 4.556 0.000 0.000 0.299 182 H C 0.550 175.897 175.328 0.032 0.000 1.033 182 H CA 1.121 57.156 56.048 -0.022 0.000 1.348 182 H CB 0.520 30.256 29.762 -0.044 0.000 1.449 182 H HN 0.689 nan 8.280 nan 0.000 0.544 183 I N -2.641 117.966 120.570 0.062 0.000 3.095 183 I HA 0.575 4.745 4.170 0.000 0.000 0.310 183 I C -1.104 174.777 176.117 -0.394 0.000 1.196 183 I CA -1.020 60.190 61.300 -0.151 0.000 0.985 183 I CB 2.773 40.667 38.000 -0.177 0.000 1.250 183 I HN -0.206 nan 8.210 nan 0.000 0.446 184 S N 2.365 117.458 115.700 -1.011 0.000 2.513 184 S HA 0.723 5.193 4.470 0.000 0.000 0.299 184 S C -0.737 173.447 174.600 -0.693 0.000 1.087 184 S CA -0.785 57.029 58.200 -0.644 0.000 1.012 184 S CB 1.458 64.463 63.200 -0.326 0.000 1.044 184 S HN 0.475 nan 8.310 nan 0.000 0.485 185 R N 1.631 121.928 120.500 -0.338 0.000 2.771 185 R HA 0.524 4.864 4.340 0.000 0.000 0.274 185 R C -1.202 175.023 176.300 -0.125 0.000 0.987 185 R CA -0.770 55.190 56.100 -0.234 0.000 0.908 185 R CB 1.476 31.660 30.300 -0.193 0.000 1.213 185 R HN 0.485 nan 8.270 nan 0.000 0.468 186 M N 1.051 120.600 119.600 -0.086 0.000 2.404 186 M HA 0.291 4.771 4.480 0.000 0.000 0.338 186 M C 0.454 176.728 176.300 -0.043 0.000 1.150 186 M CA -0.687 54.580 55.300 -0.056 0.000 1.016 186 M CB 1.788 34.352 32.600 -0.058 0.000 1.672 186 M HN 0.680 nan 8.290 nan 0.000 0.448 187 S N 1.398 117.088 115.700 -0.016 0.000 2.593 187 S HA 0.424 4.894 4.470 0.000 0.000 0.269 187 S C 1.152 175.735 174.600 -0.029 0.000 1.334 187 S CA -0.105 58.096 58.200 0.001 0.000 1.015 187 S CB 0.752 63.991 63.200 0.066 0.000 0.912 187 S HN 0.744 nan 8.310 nan 0.000 0.541 188 A N 1.617 124.427 122.820 -0.017 0.000 2.186 188 A HA -0.011 4.309 4.320 0.000 0.000 0.219 188 A C 2.162 179.725 177.584 -0.035 0.000 1.159 188 A CA 1.437 53.454 52.037 -0.032 0.000 0.680 188 A CB -1.183 17.824 19.000 0.011 0.000 0.787 188 A HN 1.285 nan 8.150 nan 0.000 0.467 189 S N -2.532 113.149 115.700 -0.030 0.000 2.535 189 S HA 0.387 4.857 4.470 0.000 0.000 0.214 189 S C 1.438 176.009 174.600 -0.049 0.000 0.980 189 S CA 0.984 59.163 58.200 -0.035 0.000 0.907 189 S CB -0.198 62.958 63.200 -0.073 0.000 0.790 189 S HN 1.821 nan 8.310 nan 0.000 0.510 190 G N 2.092 110.853 108.800 -0.066 0.000 2.155 190 G HA2 -0.362 3.598 3.960 0.000 0.000 0.257 190 G HA3 -0.362 3.598 3.960 0.000 0.000 0.257 190 G C 0.781 175.609 174.900 -0.120 0.000 0.983 190 G CA 0.582 45.657 45.100 -0.042 0.000 0.676 190 G HN 0.621 nan 8.290 nan 0.000 0.528 191 R N -1.148 119.148 120.500 -0.340 0.000 2.175 191 R HA 0.298 4.638 4.340 0.000 0.000 0.202 191 R C -0.008 175.851 176.300 -0.736 0.000 1.018 191 R CA 0.287 55.915 56.100 -0.788 0.000 1.029 191 R CB 0.249 29.628 30.300 -1.534 0.000 0.959 191 R HN 0.357 nan 8.270 nan 0.000 0.480 192 Y N 0.760 120.927 120.300 -0.222 0.000 2.335 192 Y HA 0.334 4.884 4.550 0.000 0.000 0.338 192 Y C -0.598 175.243 175.900 -0.099 0.000 0.977 192 Y CA -1.192 56.819 58.100 -0.148 0.000 1.114 192 Y CB 1.749 40.124 38.460 -0.141 0.000 1.182 192 Y HN -0.048 nan 8.280 nan 0.000 0.463 193 L N 5.058 126.328 121.223 0.079 0.000 2.275 193 L HA 0.602 4.943 4.340 0.000 0.000 0.288 193 L C -1.419 175.464 176.870 0.022 0.000 1.046 193 L CA -0.220 54.635 54.840 0.026 0.000 0.805 193 L CB 0.439 42.509 42.059 0.018 0.000 1.193 193 L HN 0.594 nan 8.230 nan 0.000 0.426 194 L N 6.125 127.334 121.223 -0.024 0.000 2.329 194 L HA 0.783 5.123 4.340 0.000 0.000 0.279 194 L C -0.730 176.095 176.870 -0.074 0.000 1.014 194 L CA -0.897 53.917 54.840 -0.044 0.000 0.814 194 L CB 1.998 44.018 42.059 -0.065 0.000 1.257 194 L HN 0.557 nan 8.230 nan 0.000 0.424 195 V N 1.506 121.388 119.914 -0.054 0.000 2.925 195 V HA 0.674 4.794 4.120 0.000 0.000 0.311 195 V C -0.967 175.099 176.094 -0.046 0.000 1.104 195 V CA -0.688 61.577 62.300 -0.059 0.000 0.954 195 V CB 2.208 34.015 31.823 -0.027 0.000 1.022 195 V HN 0.694 nan 8.190 nan 0.000 0.427 196 I N 2.643 123.183 120.570 -0.050 0.000 2.534 196 I HA 0.807 4.977 4.170 0.000 0.000 0.288 196 I C 0.496 176.602 176.117 -0.019 0.000 1.077 196 I CA -0.297 60.980 61.300 -0.039 0.000 1.051 196 I CB 1.607 39.568 38.000 -0.065 0.000 1.234 196 I HN 1.054 nan 8.210 nan 0.000 0.425 197 G N 5.254 114.049 108.800 -0.008 0.000 2.537 197 G HA2 0.238 4.198 3.960 0.000 0.000 0.273 197 G HA3 0.238 4.198 3.960 0.000 0.000 0.273 197 G C 0.719 175.622 174.900 0.004 0.000 1.189 197 G CA -0.704 44.401 45.100 0.009 0.000 0.881 197 G HN 0.878 nan 8.290 nan 0.000 0.535 198 R N -0.511 120.008 120.500 0.032 0.000 2.293 198 R HA -0.072 4.268 4.340 0.000 0.000 0.219 198 R C 0.559 176.870 176.300 0.018 0.000 1.091 198 R CA 1.576 57.684 56.100 0.013 0.000 1.004 198 R CB -0.091 30.258 30.300 0.082 0.000 0.865 198 R HN 0.461 nan 8.270 nan 0.000 0.469 199 D N 0.140 120.565 120.400 0.042 0.000 2.336 199 D HA 0.169 4.809 4.640 0.000 0.000 0.228 199 D C 0.749 177.004 176.300 -0.074 0.000 1.120 199 D CA 0.249 54.254 54.000 0.010 0.000 0.839 199 D CB 0.627 41.459 40.800 0.054 0.000 0.932 199 D HN 0.284 nan 8.370 nan 0.000 0.509 200 A N 0.112 122.885 122.820 -0.079 0.000 3.153 200 A HA -0.312 4.008 4.320 0.000 0.000 0.265 200 A C 0.810 178.340 177.584 -0.090 0.000 1.212 200 A CA 0.995 52.963 52.037 -0.115 0.000 1.018 200 A CB -2.359 16.520 19.000 -0.200 0.000 1.130 200 A HN 0.499 nan 8.150 nan 0.000 0.873 201 R N 0.385 120.857 120.500 -0.048 0.000 2.234 201 R HA 0.593 4.933 4.340 0.000 0.000 0.324 201 R C -0.320 175.980 176.300 0.001 0.000 1.054 201 R CA -0.366 55.728 56.100 -0.009 0.000 0.912 201 R CB 0.130 30.441 30.300 0.017 0.000 1.030 201 R HN 0.514 nan 8.270 nan 0.000 0.455 202 I N 3.813 124.389 120.570 0.010 0.000 2.437 202 I HA 0.252 4.422 4.170 0.000 0.000 0.298 202 I C -0.269 175.863 176.117 0.024 0.000 0.984 202 I CA -0.582 60.720 61.300 0.003 0.000 1.214 202 I CB 1.848 39.843 38.000 -0.008 0.000 1.365 202 I HN 0.518 nan 8.210 nan 0.000 0.469 203 D N 7.184 127.593 120.400 0.015 0.000 2.629 203 D HA 0.333 4.973 4.640 0.000 0.000 0.250 203 D C -0.842 175.470 176.300 0.019 0.000 1.126 203 D CA -0.392 53.624 54.000 0.027 0.000 0.852 203 D CB 2.867 43.686 40.800 0.031 0.000 1.335 203 D HN 0.395 nan 8.370 nan 0.000 0.518 204 M N 3.490 123.105 119.600 0.025 0.000 2.157 204 M HA 0.423 4.903 4.480 0.000 0.000 0.354 204 M C -1.353 174.989 176.300 0.070 0.000 1.170 204 M CA -0.365 54.948 55.300 0.022 0.000 1.060 204 M CB 0.799 33.379 32.600 -0.034 0.000 1.615 204 M HN 0.307 nan 8.290 nan 0.000 0.460 205 I N 3.773 124.408 120.570 0.108 0.000 2.433 205 I HA 0.266 4.436 4.170 0.000 0.000 0.292 205 I C -0.704 175.517 176.117 0.173 0.000 1.001 205 I CA -0.771 60.601 61.300 0.119 0.000 1.119 205 I CB 1.789 39.833 38.000 0.073 0.000 1.289 205 I HN 0.558 nan 8.210 nan 0.000 0.438 206 D N 6.443 126.932 120.400 0.149 0.000 2.347 206 D HA 0.244 4.884 4.640 0.000 0.000 0.235 206 D C 0.731 177.024 176.300 -0.011 0.000 1.149 206 D CA -0.073 53.947 54.000 0.034 0.000 0.850 206 D CB 1.212 42.076 40.800 0.107 0.000 1.061 206 D HN 0.442 nan 8.370 nan 0.000 0.487 207 L N 2.830 123.996 121.223 -0.094 0.000 2.478 207 L HA -0.004 4.336 4.340 0.000 0.000 0.223 207 L C 1.299 178.298 176.870 0.216 0.000 1.140 207 L CA 0.175 55.041 54.840 0.044 0.000 0.842 207 L CB -0.013 42.067 42.059 0.035 0.000 0.953 207 L HN 0.492 nan 8.230 nan 0.000 0.452 208 W N 0.627 121.863 121.300 -0.108 0.000 2.576 208 W HA 0.210 4.870 4.660 0.000 0.000 0.270 208 W C 1.593 178.091 176.519 -0.036 0.000 1.255 208 W CA -0.638 56.661 57.345 -0.077 0.000 1.314 208 W CB -0.699 28.698 29.460 -0.106 0.000 1.101 208 W HN -0.052 nan 8.180 nan 0.000 0.595 209 A N 1.086 124.023 122.820 0.195 0.000 2.475 209 A HA -0.039 4.281 4.320 0.000 0.000 0.239 209 A C 1.638 179.275 177.584 0.088 0.000 1.087 209 A CA 0.370 52.481 52.037 0.122 0.000 0.779 209 A CB 0.314 19.373 19.000 0.099 0.000 1.036 209 A HN 0.278 nan 8.150 nan 0.000 0.506 210 K N -0.132 120.305 120.400 0.061 0.000 2.034 210 K HA -0.176 4.144 4.320 0.000 0.000 0.214 210 K C 0.626 177.254 176.600 0.046 0.000 1.051 210 K CA 1.997 58.309 56.287 0.042 0.000 0.931 210 K CB 0.019 32.539 32.500 0.033 0.000 0.715 210 K HN 0.778 nan 8.250 nan 0.000 0.446 211 E N 0.757 120.988 120.200 0.051 0.000 2.185 211 E HA 0.206 4.556 4.350 0.000 0.000 0.261 211 E C -2.691 173.945 176.600 0.060 0.000 0.879 211 E CA -2.768 53.662 56.400 0.051 0.000 0.756 211 E CB 1.643 31.369 29.700 0.044 0.000 1.152 211 E HN -0.177 nan 8.360 nan 0.000 0.416 212 P HA -0.120 nan 4.420 nan 0.000 0.257 212 P C -0.928 176.411 177.300 0.064 0.000 1.153 212 P CA 0.802 63.943 63.100 0.069 0.000 0.762 212 P CB 0.286 32.025 31.700 0.065 0.000 0.743 213 T N 0.412 115.007 114.554 0.069 0.000 2.896 213 T HA 0.466 4.816 4.350 0.000 0.000 0.297 213 T C -0.492 174.253 174.700 0.074 0.000 1.108 213 T CA -1.306 60.833 62.100 0.065 0.000 1.004 213 T CB 1.517 70.421 68.868 0.060 0.000 1.159 213 T HN 0.047 nan 8.240 nan 0.000 0.499 214 K N 1.239 121.677 120.400 0.063 0.000 2.368 214 K HA 0.374 4.694 4.320 0.000 0.000 0.282 214 K C 1.137 177.774 176.600 0.062 0.000 1.035 214 K CA -0.263 56.062 56.287 0.063 0.000 0.973 214 K CB 1.147 33.677 32.500 0.050 0.000 0.957 214 K HN 0.564 nan 8.250 nan 0.000 0.474 215 V N -0.969 118.986 119.914 0.068 0.000 3.570 215 V HA 0.435 4.555 4.120 0.000 0.000 0.257 215 V C 0.235 176.348 176.094 0.032 0.000 1.272 215 V CA 0.191 62.525 62.300 0.056 0.000 1.079 215 V CB 0.321 32.195 31.823 0.085 0.000 0.829 215 V HN 0.656 nan 8.190 nan 0.000 0.454 216 A N 0.860 123.703 122.820 0.039 0.000 2.604 216 A HA 0.794 5.114 4.320 0.000 0.000 0.295 216 A C -0.979 176.654 177.584 0.081 0.000 1.067 216 A CA -0.099 51.976 52.037 0.062 0.000 0.683 216 A CB 1.577 20.638 19.000 0.100 0.000 1.281 216 A HN 0.698 nan 8.150 nan 0.000 0.407 217 E N 0.636 120.908 120.200 0.120 0.000 2.413 217 E HA 0.865 5.215 4.350 0.000 0.000 0.277 217 E C -1.385 175.341 176.600 0.210 0.000 0.958 217 E CA -0.748 55.727 56.400 0.125 0.000 0.779 217 E CB 2.139 31.889 29.700 0.082 0.000 1.278 217 E HN 0.994 nan 8.360 nan 0.000 0.456 218 I N 0.036 120.708 120.570 0.170 0.000 2.897 218 I HA 0.334 4.504 4.170 0.000 0.000 0.299 218 I C -2.085 174.117 176.117 0.142 0.000 1.527 218 I CA -0.715 60.710 61.300 0.208 0.000 0.979 218 I CB 2.240 40.369 38.000 0.215 0.000 1.360 218 I HN 0.645 nan 8.210 nan 0.000 0.495 219 K N 5.815 126.330 120.400 0.191 0.000 2.425 219 K HA 0.442 4.762 4.320 0.000 0.000 0.259 219 K C 0.064 176.738 176.600 0.125 0.000 0.978 219 K CA -0.528 55.804 56.287 0.076 0.000 0.883 219 K CB 1.087 33.616 32.500 0.048 0.000 1.110 219 K HN 0.590 nan 8.250 nan 0.000 0.436 220 I N 0.326 120.882 120.570 -0.023 0.000 3.875 220 I HA 0.397 4.567 4.170 0.000 0.000 0.329 220 I C 0.444 176.477 176.117 -0.140 0.000 1.295 220 I CA -0.154 61.166 61.300 0.034 0.000 1.129 220 I CB 0.796 38.808 38.000 0.020 0.000 1.008 220 I HN 0.604 nan 8.210 nan 0.000 0.413 221 G N 0.161 108.596 108.800 -0.610 0.000 2.364 221 G HA2 0.306 4.266 3.960 0.000 0.000 0.286 221 G HA3 0.306 4.266 3.960 0.000 0.000 0.286 221 G C -0.267 174.205 174.900 -0.712 0.000 1.241 221 G CA -0.251 44.502 45.100 -0.579 0.000 0.887 221 G HN -0.106 nan 8.290 nan 0.000 0.484 222 I N -0.075 120.344 120.570 -0.251 0.000 3.039 222 I HA 0.307 4.477 4.170 0.000 0.000 0.270 222 I C 0.827 176.925 176.117 -0.031 0.000 1.150 222 I CA 0.978 62.202 61.300 -0.128 0.000 1.448 222 I CB 0.098 38.198 38.000 0.167 0.000 1.197 222 I HN 0.606 nan 8.210 nan 0.000 0.450 223 E N 0.575 120.814 120.200 0.066 0.000 2.292 223 E HA 0.683 5.034 4.350 0.000 0.000 0.272 223 E C -1.375 175.230 176.600 0.009 0.000 0.881 223 E CA -0.493 55.952 56.400 0.074 0.000 0.754 223 E CB 2.862 32.689 29.700 0.212 0.000 1.201 223 E HN 0.161 nan 8.360 nan 0.000 0.425 224 A N 3.069 125.811 122.820 -0.130 0.000 2.588 224 A HA 0.694 5.014 4.320 0.000 0.000 0.290 224 A C -0.523 176.831 177.584 -0.382 0.000 1.136 224 A CA -0.586 51.320 52.037 -0.219 0.000 0.681 224 A CB 1.607 20.533 19.000 -0.124 0.000 1.282 224 A HN 0.586 nan 8.150 nan 0.000 0.421 225 R N -0.774 119.507 120.500 -0.366 0.000 2.725 225 R HA 0.297 4.637 4.340 0.000 0.000 0.207 225 R C 0.268 176.444 176.300 -0.206 0.000 0.924 225 R CA 0.696 56.557 56.100 -0.399 0.000 1.098 225 R CB 0.349 30.287 30.300 -0.605 0.000 1.602 225 R HN 0.621 nan 8.270 nan 0.000 0.615 226 S N 0.307 115.906 115.700 -0.168 0.000 2.566 226 S HA 0.716 5.186 4.470 0.000 0.000 0.298 226 S C -1.273 173.239 174.600 -0.147 0.000 1.083 226 S CA -0.506 57.609 58.200 -0.142 0.000 0.978 226 S CB 1.797 64.913 63.200 -0.140 0.000 1.073 226 S HN -0.038 nan 8.310 nan 0.000 0.491 227 V N 2.332 122.147 119.914 -0.164 0.000 3.087 227 V HA 0.916 5.036 4.120 0.000 0.000 0.306 227 V C -1.710 174.262 176.094 -0.202 0.000 1.187 227 V CA -0.373 61.820 62.300 -0.179 0.000 0.999 227 V CB 2.278 34.014 31.823 -0.144 0.000 1.049 227 V HN 0.999 nan 8.190 nan 0.000 0.431 228 E N 2.563 122.621 120.200 -0.237 0.000 2.388 228 E HA 0.651 5.001 4.350 0.000 0.000 0.280 228 E C -1.798 174.715 176.600 -0.144 0.000 1.019 228 E CA -0.213 56.069 56.400 -0.196 0.000 0.806 228 E CB 2.344 31.908 29.700 -0.226 0.000 1.246 228 E HN 0.798 nan 8.360 nan 0.000 0.443 229 S N 1.126 116.846 115.700 0.034 0.000 2.568 229 S HA 0.611 5.081 4.470 0.000 0.000 0.302 229 S C -0.915 173.867 174.600 0.304 0.000 1.082 229 S CA -0.278 58.006 58.200 0.140 0.000 1.009 229 S CB 0.714 63.936 63.200 0.038 0.000 1.069 229 S HN 0.656 nan 8.310 nan 0.000 0.500 230 S N 3.122 118.955 115.700 0.222 0.000 2.515 230 S HA 0.254 4.724 4.470 0.000 0.000 0.285 230 S C 0.150 174.779 174.600 0.048 0.000 1.265 230 S CA -0.219 57.942 58.200 -0.065 0.000 1.079 230 S CB 0.285 63.231 63.200 -0.424 0.000 0.877 230 S HN 0.745 nan 8.310 nan 0.000 0.493 231 K N 1.269 121.703 120.400 0.057 0.000 2.438 231 K HA 0.225 4.545 4.320 0.000 0.000 0.205 231 K C -0.536 176.133 176.600 0.115 0.000 1.033 231 K CA -0.300 56.016 56.287 0.049 0.000 1.089 231 K CB 0.309 32.775 32.500 -0.055 0.000 0.857 231 K HN 0.649 nan 8.250 nan 0.000 0.522 232 F N 2.863 122.838 119.950 0.041 0.000 2.399 232 F HA 0.162 4.689 4.527 -0.000 0.000 0.342 232 F C 0.393 176.325 175.800 0.219 0.000 1.106 232 F CA -0.911 57.132 58.000 0.072 0.000 1.196 232 F CB 0.638 39.611 39.000 -0.045 0.000 1.163 232 F HN -0.265 nan 8.300 nan 0.000 0.547 233 K N 4.017 124.001 120.400 -0.694 0.000 2.473 233 K HA 0.160 4.480 4.320 0.000 0.000 0.277 233 K C 0.883 177.375 176.600 -0.180 0.000 1.052 233 K CA 0.992 57.021 56.287 -0.431 0.000 1.114 233 K CB -0.571 31.600 32.500 -0.547 0.000 0.869 233 K HN 1.019 nan 8.250 nan 0.000 0.481 234 G N 2.894 111.658 108.800 -0.061 0.000 2.141 234 G HA2 -0.279 3.681 3.960 0.000 0.000 0.231 234 G HA3 -0.279 3.681 3.960 0.000 0.000 0.231 234 G C -0.017 174.755 174.900 -0.215 0.000 0.984 234 G CA -0.092 44.936 45.100 -0.120 0.000 0.660 234 G HN 0.598 nan 8.290 nan 0.000 0.525 235 Y N 0.904 121.234 120.300 0.049 0.000 2.715 235 Y HA 0.330 4.880 4.550 -0.000 0.000 0.255 235 Y C 0.870 176.754 175.900 -0.026 0.000 1.139 235 Y CA -0.822 57.311 58.100 0.055 0.000 1.151 235 Y CB 0.471 39.059 38.460 0.213 0.000 1.201 235 Y HN 0.327 nan 8.280 nan 0.000 0.556 236 E N 1.864 122.106 120.200 0.071 0.000 2.493 236 E HA -0.085 4.265 4.350 0.000 0.000 0.255 236 E C -0.299 176.292 176.600 -0.015 0.000 0.999 236 E CA 0.679 57.095 56.400 0.027 0.000 0.934 236 E CB 0.152 29.858 29.700 0.010 0.000 0.940 236 E HN 0.336 nan 8.360 nan 0.000 0.473 237 D N 2.150 122.536 120.400 -0.024 0.000 2.945 237 D HA -0.212 4.428 4.640 0.000 0.000 0.225 237 D C 0.850 177.058 176.300 -0.155 0.000 1.158 237 D CA 0.576 54.534 54.000 -0.069 0.000 0.805 237 D CB -0.391 40.386 40.800 -0.038 0.000 1.098 237 D HN 0.448 nan 8.370 nan 0.000 0.426 238 R N -0.881 119.503 120.500 -0.194 0.000 2.057 238 R HA 0.059 4.399 4.340 0.000 0.000 0.224 238 R C 0.653 176.509 176.300 -0.741 0.000 1.136 238 R CA 1.301 57.125 56.100 -0.459 0.000 0.968 238 R CB 0.074 30.149 30.300 -0.375 0.000 0.863 238 R HN 0.298 nan 8.270 nan 0.000 0.433 239 Y N -1.334 118.901 120.300 -0.108 0.000 2.576 239 Y HA 0.387 4.937 4.550 -0.001 0.000 0.346 239 Y C -0.296 175.603 175.900 -0.001 0.000 1.018 239 Y CA -0.854 57.204 58.100 -0.071 0.000 1.050 239 Y CB 2.117 40.516 38.460 -0.102 0.000 1.280 239 Y HN -0.271 nan 8.280 nan 0.000 0.474 240 T N 3.165 117.797 114.554 0.130 0.000 2.881 240 T HA 0.565 4.915 4.350 0.000 0.000 0.290 240 T C -1.298 173.280 174.700 -0.203 0.000 1.000 240 T CA -0.470 61.599 62.100 -0.053 0.000 0.978 240 T CB 1.140 69.964 68.868 -0.073 0.000 0.997 240 T HN 0.557 nan 8.240 nan 0.000 0.443 241 I N 2.447 122.721 120.570 -0.494 0.000 2.603 241 I HA 0.829 4.999 4.170 0.000 0.000 0.300 241 I C -1.070 174.837 176.117 -0.349 0.000 1.017 241 I CA -0.848 60.133 61.300 -0.531 0.000 1.098 241 I CB 1.232 38.572 38.000 -1.100 0.000 1.279 241 I HN 0.765 nan 8.210 nan 0.000 0.437 242 A N 4.790 127.496 122.820 -0.191 0.000 2.422 242 A HA 0.785 5.105 4.320 0.000 0.000 0.302 242 A C -0.656 176.899 177.584 -0.048 0.000 1.041 242 A CA -0.424 51.535 52.037 -0.130 0.000 0.708 242 A CB 1.494 20.438 19.000 -0.092 0.000 1.257 242 A HN 0.832 nan 8.150 nan 0.000 0.414 243 G N 0.296 109.062 108.800 -0.057 0.000 2.388 243 G HA2 0.731 4.692 3.960 0.000 0.000 0.330 243 G HA3 0.731 4.692 3.960 0.000 0.000 0.330 243 G C -0.203 174.713 174.900 0.026 0.000 1.142 243 G CA 0.191 45.302 45.100 0.019 0.000 0.908 243 G HN 1.528 nan 8.290 nan 0.000 0.473 244 A N 1.141 124.009 122.820 0.080 0.000 2.330 244 A HA 0.697 5.017 4.320 0.000 0.000 0.329 244 A C -0.099 177.646 177.584 0.269 0.000 1.135 244 A CA -0.650 51.446 52.037 0.098 0.000 0.817 244 A CB 1.200 20.220 19.000 0.034 0.000 1.269 244 A HN 0.652 nan 8.150 nan 0.000 0.469 245 Y N -0.462 119.877 120.300 0.065 0.000 2.389 245 Y HA 0.166 4.716 4.550 -0.000 0.000 0.292 245 Y C 0.479 176.529 175.900 0.249 0.000 1.117 245 Y CA 0.106 58.289 58.100 0.138 0.000 1.195 245 Y CB 0.388 38.938 38.460 0.151 0.000 1.076 245 Y HN 0.665 nan 8.280 nan 0.000 0.548 246 W N 1.824 123.251 121.300 0.210 0.000 3.132 246 W HA 0.316 4.976 4.660 0.001 0.000 0.337 246 W C -3.248 173.327 176.519 0.092 0.000 1.082 246 W CA -2.134 55.297 57.345 0.144 0.000 1.242 246 W CB 2.128 31.683 29.460 0.158 0.000 1.354 246 W HN -0.140 nan 8.180 nan 0.000 0.461 247 P HA 0.206 nan 4.420 nan 0.000 0.274 247 P C -2.547 174.478 177.300 -0.458 0.000 1.256 247 P CA -1.049 61.392 63.100 -1.098 0.000 0.795 247 P CB 0.400 31.637 31.700 -0.773 0.000 1.038 248 P HA 0.056 nan 4.420 nan 0.000 0.266 248 P C -0.787 176.438 177.300 -0.124 0.000 1.419 248 P CA 0.606 63.614 63.100 -0.152 0.000 1.112 248 P CB -0.488 31.142 31.700 -0.117 0.000 1.438 249 Q N 2.517 122.277 119.800 -0.066 0.000 2.702 249 Q HA 0.596 4.936 4.340 0.000 0.000 0.289 249 Q C -1.531 174.488 176.000 0.032 0.000 0.923 249 Q CA -1.009 54.743 55.803 -0.085 0.000 0.787 249 Q CB 1.071 29.712 28.738 -0.160 0.000 1.476 249 Q HN 0.192 nan 8.270 nan 0.000 0.402 250 F N -1.046 118.867 119.950 -0.062 0.000 2.611 250 F HA 0.993 5.520 4.527 -0.000 0.000 0.324 250 F C -1.387 174.365 175.800 -0.080 0.000 1.061 250 F CA -0.923 57.029 58.000 -0.079 0.000 0.954 250 F CB 1.896 40.836 39.000 -0.099 0.000 1.301 250 F HN 0.806 nan 8.300 nan 0.000 0.482 251 A N 2.511 125.420 122.820 0.148 0.000 2.374 251 A HA 0.780 5.100 4.320 0.000 0.000 0.305 251 A C -1.334 176.277 177.584 0.045 0.000 1.053 251 A CA -0.696 51.361 52.037 0.033 0.000 0.726 251 A CB 0.928 19.925 19.000 -0.005 0.000 1.229 251 A HN 0.798 nan 8.150 nan 0.000 0.431 252 I N 2.651 123.238 120.570 0.029 0.000 2.354 252 I HA 0.451 4.621 4.170 0.000 0.000 0.292 252 I C -0.171 175.935 176.117 -0.017 0.000 0.989 252 I CA -0.001 61.303 61.300 0.007 0.000 1.188 252 I CB 1.579 39.594 38.000 0.025 0.000 1.342 252 I HN 0.693 nan 8.210 nan 0.000 0.457 253 M N 4.139 123.739 119.600 0.001 0.000 2.727 253 M HA 0.349 4.829 4.480 0.000 0.000 0.300 253 M C -0.380 175.957 176.300 0.062 0.000 1.246 253 M CA -0.784 54.497 55.300 -0.032 0.000 0.835 253 M CB 1.635 34.170 32.600 -0.109 0.000 1.755 253 M HN 0.412 nan 8.290 nan 0.000 0.473 254 D N 0.638 121.020 120.400 -0.030 0.000 2.425 254 D HA 0.044 4.684 4.640 0.000 0.000 0.247 254 D C 0.755 177.002 176.300 -0.089 0.000 1.147 254 D CA 0.385 54.360 54.000 -0.042 0.000 0.879 254 D CB 1.441 42.193 40.800 -0.080 0.000 1.179 254 D HN 0.823 nan 8.370 nan 0.000 0.456 255 G N 3.423 112.133 108.800 -0.150 0.000 2.534 255 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 255 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 255 G C 1.175 175.936 174.900 -0.231 0.000 1.128 255 G CA 0.259 45.259 45.100 -0.167 0.000 0.784 255 G HN 0.527 nan 8.290 nan 0.000 0.542 256 E N -0.269 119.805 120.200 -0.209 0.000 2.340 256 E HA -0.011 4.339 4.350 0.000 0.000 0.198 256 E C 2.405 178.902 176.600 -0.171 0.000 0.961 256 E CA 1.339 57.588 56.400 -0.251 0.000 0.905 256 E CB 0.407 30.015 29.700 -0.154 0.000 0.884 256 E HN 0.558 nan 8.360 nan 0.000 0.491 257 T N -2.533 111.989 114.554 -0.054 0.000 2.958 257 T HA 0.244 4.594 4.350 0.000 0.000 0.256 257 T C 1.146 175.971 174.700 0.209 0.000 0.983 257 T CA -0.237 61.926 62.100 0.104 0.000 0.924 257 T CB 0.543 69.550 68.868 0.233 0.000 1.136 257 T HN 0.082 nan 8.240 nan 0.000 0.506 258 L N 0.558 121.792 121.223 0.017 0.000 4.613 258 L HA -0.136 4.204 4.340 0.000 0.000 0.409 258 L C 0.240 176.856 176.870 -0.424 0.000 1.100 258 L CA 0.364 55.166 54.840 -0.063 0.000 1.029 258 L CB -1.721 40.386 42.059 0.080 0.000 2.137 258 L HN 0.594 nan 8.230 nan 0.000 0.713 259 E N 2.613 122.455 120.200 -0.597 0.000 2.366 259 E HA 0.170 4.520 4.350 0.000 0.000 0.266 259 E C -2.100 174.066 176.600 -0.723 0.000 1.015 259 E CA -1.475 54.126 56.400 -1.332 0.000 0.906 259 E CB 0.789 29.948 29.700 -0.901 0.000 0.979 259 E HN 0.005 nan 8.360 nan 0.000 0.443 260 P HA -0.023 nan 4.420 nan 0.000 0.267 260 P C -0.389 176.769 177.300 -0.237 0.000 1.209 260 P CA -0.017 62.884 63.100 -0.332 0.000 0.763 260 P CB 0.854 32.400 31.700 -0.257 0.000 0.816 261 K N 1.460 121.776 120.400 -0.140 0.000 2.312 261 K HA 0.204 4.524 4.320 0.000 0.000 0.206 261 K C 0.450 177.003 176.600 -0.079 0.000 1.121 261 K CA 0.922 57.155 56.287 -0.089 0.000 0.923 261 K CB 0.269 32.751 32.500 -0.031 0.000 1.162 261 K HN 0.440 nan 8.250 nan 0.000 0.478 262 Q N 0.226 119.980 119.800 -0.078 0.000 2.389 262 Q HA 0.517 4.857 4.340 0.000 0.000 0.277 262 Q C -0.869 175.058 176.000 -0.122 0.000 1.082 262 Q CA -0.399 55.350 55.803 -0.090 0.000 0.810 262 Q CB 2.841 31.534 28.738 -0.075 0.000 1.374 262 Q HN 0.106 nan 8.270 nan 0.000 0.422 263 I N 1.262 121.732 120.570 -0.167 0.000 2.478 263 I HA 0.474 4.644 4.170 0.000 0.000 0.287 263 I C -0.604 175.310 176.117 -0.339 0.000 1.042 263 I CA -0.988 60.175 61.300 -0.229 0.000 1.067 263 I CB 2.107 40.019 38.000 -0.147 0.000 1.233 263 I HN 0.119 nan 8.210 nan 0.000 0.431 264 V N 4.120 123.659 119.914 -0.626 0.000 2.555 264 V HA 0.364 4.484 4.120 0.000 0.000 0.302 264 V C 0.159 175.926 176.094 -0.544 0.000 1.038 264 V CA -0.628 61.270 62.300 -0.671 0.000 0.887 264 V CB 1.963 33.154 31.823 -1.054 0.000 0.991 264 V HN 0.787 nan 8.190 nan 0.000 0.434 265 S N 2.217 117.742 115.700 -0.291 0.000 2.545 265 S HA 0.260 4.730 4.470 0.000 0.000 0.275 265 S C 1.095 175.636 174.600 -0.099 0.000 1.299 265 S CA 0.166 58.261 58.200 -0.173 0.000 1.048 265 S CB 0.990 64.127 63.200 -0.106 0.000 0.938 265 S HN 1.016 nan 8.310 nan 0.000 0.496 266 T N 2.152 116.677 114.554 -0.049 0.000 3.069 266 T HA 0.306 4.657 4.350 0.000 0.000 0.252 266 T C 0.523 175.227 174.700 0.007 0.000 1.053 266 T CA -0.317 61.793 62.100 0.016 0.000 0.964 266 T CB -0.110 68.793 68.868 0.058 0.000 1.005 266 T HN 0.541 nan 8.240 nan 0.000 0.532 267 R N 1.232 121.739 120.500 0.011 0.000 2.522 267 R HA 0.534 4.874 4.340 0.000 0.000 0.284 267 R C 0.779 177.146 176.300 0.110 0.000 1.032 267 R CA 0.806 56.935 56.100 0.049 0.000 1.049 267 R CB 0.351 30.735 30.300 0.140 0.000 0.956 267 R HN 0.563 nan 8.270 nan 0.000 0.422 268 G N 1.565 110.396 108.800 0.053 0.000 2.427 268 G HA2 0.226 4.186 3.960 0.000 0.000 0.306 268 G HA3 0.226 4.186 3.960 0.000 0.000 0.306 268 G C -1.420 173.528 174.900 0.079 0.000 1.280 268 G CA -0.961 44.221 45.100 0.137 0.000 0.837 268 G HN 0.227 nan 8.290 nan 0.000 0.482 269 M N 2.015 121.677 119.600 0.103 0.000 2.235 269 M HA 0.355 4.835 4.480 0.000 0.000 0.351 269 M C 1.039 177.345 176.300 0.011 0.000 1.178 269 M CA -0.551 54.793 55.300 0.073 0.000 1.143 269 M CB 0.382 33.028 32.600 0.077 0.000 1.530 269 M HN 0.787 nan 8.290 nan 0.000 0.461 270 T N -1.077 113.475 114.554 -0.003 0.000 2.813 270 T HA 0.278 4.628 4.350 0.000 0.000 0.297 270 T C 1.103 175.782 174.700 -0.035 0.000 1.036 270 T CA -0.791 61.282 62.100 -0.044 0.000 1.044 270 T CB 1.347 70.189 68.868 -0.042 0.000 0.993 270 T HN 0.491 nan 8.240 nan 0.000 0.535 271 V N 1.176 121.056 119.914 -0.056 0.000 2.488 271 V HA -0.051 4.069 4.120 0.000 0.000 0.246 271 V C 2.179 178.256 176.094 -0.027 0.000 1.046 271 V CA 2.283 64.559 62.300 -0.040 0.000 1.053 271 V CB -0.756 31.037 31.823 -0.049 0.000 0.679 271 V HN 1.056 nan 8.190 nan 0.000 0.458 272 D N 0.045 120.426 120.400 -0.033 0.000 2.113 272 D HA -0.159 4.481 4.640 0.000 0.000 0.206 272 D C 1.998 178.296 176.300 -0.002 0.000 0.979 272 D CA 2.370 56.362 54.000 -0.014 0.000 0.862 272 D CB -1.302 39.491 40.800 -0.011 0.000 1.013 272 D HN 0.530 nan 8.370 nan 0.000 0.455 273 T N -3.417 111.138 114.554 0.001 0.000 3.067 273 T HA 0.008 4.358 4.350 0.000 0.000 0.261 273 T C 0.872 175.581 174.700 0.015 0.000 1.110 273 T CA 0.392 62.500 62.100 0.012 0.000 1.113 273 T CB -0.480 68.400 68.868 0.020 0.000 0.917 273 T HN 0.331 nan 8.240 nan 0.000 0.499 274 Q N 1.747 121.554 119.800 0.011 0.000 2.468 274 Q HA -0.153 4.187 4.340 0.000 0.000 0.289 274 Q C -0.310 175.713 176.000 0.038 0.000 1.299 274 Q CA 0.803 56.618 55.803 0.019 0.000 0.838 274 Q CB -2.238 26.509 28.738 0.015 0.000 1.195 274 Q HN 0.904 nan 8.270 nan 0.000 0.456 275 T N -3.667 110.914 114.554 0.045 0.000 2.949 275 T HA 0.535 4.885 4.350 0.000 0.000 0.287 275 T C -0.572 174.191 174.700 0.106 0.000 1.034 275 T CA -0.897 61.246 62.100 0.072 0.000 1.018 275 T CB 1.403 70.304 68.868 0.055 0.000 1.135 275 T HN 0.240 nan 8.240 nan 0.000 0.532 276 Y N 1.584 121.894 120.300 0.017 0.000 2.335 276 Y HA 0.358 4.909 4.550 0.000 0.000 0.331 276 Y C 0.112 176.031 175.900 0.031 0.000 1.094 276 Y CA -0.433 57.682 58.100 0.026 0.000 1.253 276 Y CB 0.299 38.763 38.460 0.008 0.000 1.203 276 Y HN 0.780 nan 8.280 nan 0.000 0.508 277 H N 8.714 127.308 119.070 -0.794 0.000 2.646 277 H HA 0.288 4.844 4.556 0.000 0.000 0.328 277 H C -2.245 172.549 175.328 -0.890 0.000 0.998 277 H CA -2.450 53.232 56.048 -0.610 0.000 1.225 277 H CB 2.331 31.904 29.762 -0.315 0.000 1.457 277 H HN 0.521 nan 8.280 nan 0.000 0.505 278 P HA 0.036 nan 4.420 nan 0.000 0.249 278 P C -0.070 177.298 177.300 0.113 0.000 1.241 278 P CA 0.549 63.541 63.100 -0.181 0.000 0.781 278 P CB 0.471 32.185 31.700 0.024 0.000 1.088 279 E N 0.423 120.787 120.200 0.273 0.000 3.124 279 E HA 0.242 4.592 4.350 0.000 0.000 0.331 279 E C -2.877 173.805 176.600 0.138 0.000 1.139 279 E CA -1.433 55.141 56.400 0.290 0.000 0.949 279 E CB 0.928 30.866 29.700 0.397 0.000 1.423 279 E HN 0.009 nan 8.360 nan 0.000 0.388 280 P HA 0.250 nan 4.420 nan 0.000 0.274 280 P C -0.869 176.380 177.300 -0.084 0.000 1.504 280 P CA -0.404 62.603 63.100 -0.156 0.000 1.011 280 P CB 0.224 31.837 31.700 -0.145 0.000 1.366 281 R N 1.551 121.978 120.500 -0.120 0.000 2.623 281 R HA 0.196 4.536 4.340 0.000 0.000 0.271 281 R C -0.028 176.266 176.300 -0.009 0.000 1.043 281 R CA -0.216 55.814 56.100 -0.117 0.000 1.083 281 R CB 0.251 30.249 30.300 -0.504 0.000 0.974 281 R HN 0.198 nan 8.270 nan 0.000 0.436 282 V N 3.518 123.512 119.914 0.133 0.000 2.406 282 V HA 0.263 4.383 4.120 0.000 0.000 0.272 282 V C 0.726 176.941 176.094 0.202 0.000 1.043 282 V CA 0.119 62.496 62.300 0.129 0.000 0.915 282 V CB 0.811 32.708 31.823 0.124 0.000 0.988 282 V HN 1.012 nan 8.190 nan 0.000 0.466 283 A N 5.093 127.983 122.820 0.116 0.000 3.750 283 A HA 0.860 5.180 4.320 0.000 0.000 0.188 283 A C 1.037 178.606 177.584 -0.024 0.000 1.870 283 A CA 0.365 52.461 52.037 0.098 0.000 1.748 283 A CB -0.513 18.538 19.000 0.085 0.000 1.266 283 A HN 1.023 nan 8.150 nan 0.000 0.382 284 A N -0.591 122.197 122.820 -0.052 0.000 2.407 284 A HA 0.565 4.885 4.320 0.000 0.000 0.248 284 A C -0.375 177.138 177.584 -0.118 0.000 1.082 284 A CA 0.183 52.181 52.037 -0.065 0.000 0.785 284 A CB -0.347 18.666 19.000 0.021 0.000 1.020 284 A HN 0.518 nan 8.150 nan 0.000 0.489 285 I N 2.010 122.469 120.570 -0.186 0.000 2.512 285 I HA 0.414 4.584 4.170 0.000 0.000 0.287 285 I C -0.784 175.141 176.117 -0.321 0.000 1.069 285 I CA -0.125 61.007 61.300 -0.280 0.000 1.056 285 I CB 1.709 39.535 38.000 -0.289 0.000 1.229 285 I HN 0.658 nan 8.210 nan 0.000 0.429 286 I N 4.775 125.061 120.570 -0.474 0.000 2.689 286 I HA 0.740 4.910 4.170 0.000 0.000 0.299 286 I C -0.335 175.625 176.117 -0.262 0.000 1.059 286 I CA -0.482 60.519 61.300 -0.497 0.000 1.055 286 I CB 1.935 39.313 38.000 -1.037 0.000 1.243 286 I HN 0.683 nan 8.210 nan 0.000 0.425 287 A N 4.967 127.756 122.820 -0.051 0.000 2.301 287 A HA 0.530 4.850 4.320 0.000 0.000 0.298 287 A C -0.170 177.461 177.584 0.078 0.000 1.185 287 A CA -0.285 51.800 52.037 0.079 0.000 0.830 287 A CB 0.938 20.013 19.000 0.126 0.000 1.112 287 A HN 0.684 nan 8.150 nan 0.000 0.508 288 S N 0.512 116.234 115.700 0.036 0.000 2.576 288 S HA 0.240 4.710 4.470 0.000 0.000 0.276 288 S C 0.616 175.161 174.600 -0.092 0.000 1.339 288 S CA -0.112 58.150 58.200 0.104 0.000 1.039 288 S CB 0.089 63.281 63.200 -0.014 0.000 0.902 288 S HN 0.741 nan 8.310 nan 0.000 0.516 289 H N 1.467 120.578 119.070 0.067 0.000 2.648 289 H HA 0.293 4.849 4.556 0.000 0.000 0.265 289 H C 1.499 176.901 175.328 0.124 0.000 0.961 289 H CA -0.006 56.088 56.048 0.076 0.000 1.185 289 H CB 0.477 30.174 29.762 -0.108 0.000 1.449 289 H HN 0.532 nan 8.280 nan 0.000 0.523 290 E N 0.118 120.328 120.200 0.016 0.000 2.140 290 E HA 0.049 4.399 4.350 0.000 0.000 0.191 290 E C 0.058 176.299 176.600 -0.598 0.000 0.973 290 E CA 0.781 57.036 56.400 -0.241 0.000 0.829 290 E CB 0.519 29.973 29.700 -0.410 0.000 0.781 290 E HN 0.521 nan 8.360 nan 0.000 0.466 291 H N -0.809 118.025 119.070 -0.394 0.000 2.928 291 H HA 0.239 4.795 4.556 0.000 0.000 0.371 291 H C -2.360 172.167 175.328 -1.335 0.000 1.186 291 H CA -2.140 53.353 56.048 -0.925 0.000 1.134 291 H CB 1.938 31.379 29.762 -0.535 0.000 1.824 291 H HN -0.172 nan 8.280 nan 0.000 0.554 292 P HA 0.163 nan 4.420 nan 0.000 0.237 292 P C -0.617 175.619 177.300 -1.772 0.000 1.788 292 P CA 0.245 62.366 63.100 -1.632 0.000 1.061 292 P CB 0.096 30.908 31.700 -1.481 0.000 1.967 293 E N 0.752 120.259 120.200 -1.155 0.000 2.446 293 E HA 0.581 4.932 4.350 0.000 0.000 0.276 293 E C -1.176 175.147 176.600 -0.460 0.000 0.969 293 E CA -0.736 55.207 56.400 -0.761 0.000 0.800 293 E CB 1.367 30.813 29.700 -0.424 0.000 1.341 293 E HN 0.039 nan 8.360 nan 0.000 0.460 294 F N 1.319 121.195 119.950 -0.124 0.000 2.467 294 F HA 0.440 4.967 4.527 0.000 0.000 0.336 294 F C -0.163 175.479 175.800 -0.264 0.000 1.123 294 F CA -0.739 57.171 58.000 -0.149 0.000 0.964 294 F CB 0.979 39.888 39.000 -0.152 0.000 1.136 294 F HN 0.208 nan 8.300 nan 0.000 0.447 295 I N 4.973 125.466 120.570 -0.128 0.000 2.301 295 I HA 0.294 4.464 4.170 0.000 0.000 0.292 295 I C -0.641 175.270 176.117 -0.344 0.000 1.046 295 I CA -0.601 60.526 61.300 -0.289 0.000 1.282 295 I CB 0.673 38.378 38.000 -0.492 0.000 1.409 295 I HN 0.150 nan 8.210 nan 0.000 0.484 296 V N 6.135 125.877 119.914 -0.287 0.000 2.435 296 V HA 0.304 4.424 4.120 0.000 0.000 0.290 296 V C 0.038 176.039 176.094 -0.154 0.000 1.030 296 V CA -0.774 61.354 62.300 -0.286 0.000 0.881 296 V CB 1.725 33.277 31.823 -0.452 0.000 0.983 296 V HN 0.596 nan 8.190 nan 0.000 0.445 297 N N 2.869 121.513 118.700 -0.092 0.000 2.422 297 N HA 0.434 5.174 4.740 0.000 0.000 0.266 297 N C -0.743 174.759 175.510 -0.014 0.000 1.007 297 N CA -0.180 52.864 53.050 -0.010 0.000 0.941 297 N CB 1.766 40.282 38.487 0.048 0.000 1.115 297 N HN 0.428 nan 8.380 nan 0.000 0.492 298 V N 3.653 123.553 119.914 -0.022 0.000 2.311 298 V HA 0.185 4.305 4.120 0.000 0.000 0.275 298 V C 1.503 177.555 176.094 -0.071 0.000 1.022 298 V CA -0.688 61.592 62.300 -0.033 0.000 0.830 298 V CB 1.179 32.982 31.823 -0.032 0.000 1.012 298 V HN 0.652 nan 8.190 nan 0.000 0.452 299 K N 3.725 124.082 120.400 -0.071 0.000 1.981 299 K HA -0.199 4.121 4.320 0.000 0.000 0.227 299 K C 1.704 178.142 176.600 -0.270 0.000 1.030 299 K CA 2.271 58.502 56.287 -0.094 0.000 1.042 299 K CB 0.010 32.475 32.500 -0.058 0.000 0.749 299 K HN 0.688 nan 8.250 nan 0.000 0.445 300 E N -0.216 119.740 120.200 -0.407 0.000 2.187 300 E HA -0.190 4.160 4.350 0.000 0.000 0.199 300 E C 1.755 178.007 176.600 -0.579 0.000 1.004 300 E CA 2.130 58.120 56.400 -0.683 0.000 0.813 300 E CB -0.253 28.872 29.700 -0.958 0.000 0.736 300 E HN 0.672 nan 8.360 nan 0.000 0.468 301 T N -3.722 110.603 114.554 -0.381 0.000 3.081 301 T HA 0.248 4.598 4.350 0.000 0.000 0.250 301 T C 1.459 176.048 174.700 -0.186 0.000 1.100 301 T CA 0.145 62.100 62.100 -0.243 0.000 1.038 301 T CB 0.202 68.976 68.868 -0.156 0.000 0.962 301 T HN 0.250 nan 8.240 nan 0.000 0.516 302 G N 1.324 110.006 108.800 -0.198 0.000 2.338 302 G HA2 -0.221 3.739 3.960 0.000 0.000 0.296 302 G HA3 -0.221 3.739 3.960 0.000 0.000 0.296 302 G C -0.302 174.550 174.900 -0.080 0.000 1.040 302 G CA -0.021 45.001 45.100 -0.130 0.000 1.004 302 G HN 0.633 nan 8.290 nan 0.000 0.509 303 K N -0.868 119.491 120.400 -0.068 0.000 2.324 303 K HA 0.704 5.024 4.320 0.000 0.000 0.253 303 K C -0.145 176.437 176.600 -0.030 0.000 0.932 303 K CA -0.660 55.601 56.287 -0.043 0.000 0.799 303 K CB 2.357 34.835 32.500 -0.036 0.000 1.154 303 K HN 0.125 nan 8.250 nan 0.000 0.425 304 V N 5.180 125.080 119.914 -0.022 0.000 2.357 304 V HA 0.429 4.549 4.120 0.000 0.000 0.284 304 V C -0.578 175.491 176.094 -0.041 0.000 1.018 304 V CA -0.845 61.444 62.300 -0.018 0.000 0.841 304 V CB 0.853 32.687 31.823 0.018 0.000 0.991 304 V HN 0.548 nan 8.190 nan 0.000 0.437 305 L N 5.893 127.073 121.223 -0.071 0.000 2.309 305 L HA 0.589 4.929 4.340 0.000 0.000 0.282 305 L C -0.524 176.276 176.870 -0.118 0.000 1.036 305 L CA -0.557 54.236 54.840 -0.078 0.000 0.806 305 L CB 1.497 43.517 42.059 -0.065 0.000 1.220 305 L HN 0.390 nan 8.230 nan 0.000 0.429 306 L N 4.429 125.593 121.223 -0.099 0.000 2.283 306 L HA 0.390 4.730 4.340 0.000 0.000 0.281 306 L C -0.546 176.253 176.870 -0.119 0.000 1.033 306 L CA -0.661 54.106 54.840 -0.121 0.000 0.848 306 L CB 1.550 43.537 42.059 -0.120 0.000 1.226 306 L HN 0.330 nan 8.230 nan 0.000 0.429 307 V N 2.834 122.681 119.914 -0.112 0.000 2.353 307 V HA 0.151 4.271 4.120 0.000 0.000 0.264 307 V C 0.529 176.549 176.094 -0.123 0.000 1.049 307 V CA -0.552 61.713 62.300 -0.058 0.000 0.896 307 V CB 1.065 32.882 31.823 -0.010 0.000 1.025 307 V HN 0.663 nan 8.190 nan 0.000 0.475 308 N N 4.148 122.740 118.700 -0.180 0.000 2.430 308 N HA 0.080 4.820 4.740 0.000 0.000 0.265 308 N C 0.228 175.580 175.510 -0.264 0.000 1.100 308 N CA -0.255 52.596 53.050 -0.332 0.000 0.961 308 N CB 1.105 39.418 38.487 -0.289 0.000 1.075 308 N HN 0.747 nan 8.380 nan 0.000 0.478 309 Y N 2.557 122.673 120.300 -0.307 0.000 2.468 309 Y HA 0.321 4.871 4.550 -0.000 0.000 0.268 309 Y C 1.763 177.546 175.900 -0.194 0.000 1.177 309 Y CA -0.359 57.546 58.100 -0.325 0.000 1.265 309 Y CB -0.158 38.030 38.460 -0.454 0.000 1.103 309 Y HN 0.419 nan 8.280 nan 0.000 0.522 310 K N 0.945 121.262 120.400 -0.137 0.000 2.442 310 K HA -0.165 4.155 4.320 0.000 0.000 0.199 310 K C -0.551 176.131 176.600 0.137 0.000 1.044 310 K CA 1.436 57.765 56.287 0.071 0.000 0.941 310 K CB 0.032 32.508 32.500 -0.040 0.000 0.759 310 K HN 0.398 nan 8.250 nan 0.000 0.472 311 D N -0.370 120.063 120.400 0.055 0.000 2.312 311 D HA 0.019 4.659 4.640 0.000 0.000 0.229 311 D C 0.372 176.669 176.300 -0.005 0.000 1.337 311 D CA -0.409 53.621 54.000 0.049 0.000 0.964 311 D CB 0.522 41.337 40.800 0.025 0.000 1.456 311 D HN 0.163 nan 8.370 nan 0.000 0.547 312 I N -0.643 119.912 120.570 -0.025 0.000 3.428 312 I HA 0.176 4.346 4.170 0.000 0.000 0.286 312 I C 0.695 176.791 176.117 -0.036 0.000 1.287 312 I CA 0.166 61.418 61.300 -0.080 0.000 1.396 312 I CB 0.264 38.141 38.000 -0.205 0.000 1.062 312 I HN 0.046 nan 8.210 nan 0.000 0.471 313 D N 2.050 122.446 120.400 -0.007 0.000 2.137 313 D HA -0.049 4.591 4.640 0.000 0.000 0.202 313 D C 0.269 176.561 176.300 -0.014 0.000 0.970 313 D CA 1.113 55.110 54.000 -0.005 0.000 0.837 313 D CB -0.047 40.759 40.800 0.010 0.000 0.981 313 D HN 0.575 nan 8.370 nan 0.000 0.475 314 N N 0.769 119.461 118.700 -0.014 0.000 2.851 314 N HA 0.191 4.931 4.740 0.000 0.000 0.248 314 N C -0.974 174.522 175.510 -0.025 0.000 1.221 314 N CA -0.478 52.561 53.050 -0.019 0.000 0.847 314 N CB 1.415 39.893 38.487 -0.015 0.000 1.150 314 N HN -0.078 nan 8.380 nan 0.000 0.507 315 L N 1.858 123.066 121.223 -0.025 0.000 2.513 315 L HA 0.116 4.456 4.340 0.000 0.000 0.272 315 L C 0.013 176.869 176.870 -0.023 0.000 1.187 315 L CA 0.943 55.771 54.840 -0.021 0.000 0.895 315 L CB 0.385 42.441 42.059 -0.003 0.000 1.147 315 L HN 0.352 nan 8.230 nan 0.000 0.483 316 T N 4.682 119.213 114.554 -0.039 0.000 2.771 316 T HA 0.628 4.978 4.350 0.000 0.000 0.281 316 T C -0.681 173.991 174.700 -0.047 0.000 0.982 316 T CA -0.439 61.631 62.100 -0.051 0.000 0.978 316 T CB 1.175 69.995 68.868 -0.079 0.000 0.930 316 T HN 0.299 nan 8.240 nan 0.000 0.447 317 V N 3.374 123.271 119.914 -0.030 0.000 2.577 317 V HA 0.446 4.566 4.120 0.000 0.000 0.303 317 V C 0.082 176.155 176.094 -0.036 0.000 1.042 317 V CA -0.874 61.415 62.300 -0.018 0.000 0.872 317 V CB 2.102 33.950 31.823 0.042 0.000 0.998 317 V HN 0.902 nan 8.190 nan 0.000 0.423 318 T N 3.102 117.621 114.554 -0.058 0.000 2.749 318 T HA 0.294 4.644 4.350 0.000 0.000 0.287 318 T C 0.127 174.801 174.700 -0.044 0.000 0.970 318 T CA -0.033 62.031 62.100 -0.059 0.000 0.980 318 T CB 1.204 70.021 68.868 -0.085 0.000 0.924 318 T HN 0.675 nan 8.240 nan 0.000 0.456 319 S N 4.469 120.151 115.700 -0.030 0.000 2.420 319 S HA 0.515 4.985 4.470 0.000 0.000 0.313 319 S C -0.133 174.453 174.600 -0.025 0.000 1.079 319 S CA -0.788 57.399 58.200 -0.021 0.000 1.104 319 S CB -0.335 62.860 63.200 -0.009 0.000 0.969 319 S HN 0.561 nan 8.310 nan 0.000 0.471 320 I N 4.433 124.987 120.570 -0.027 0.000 2.336 320 I HA 0.407 4.577 4.170 0.000 0.000 0.292 320 I C 1.069 177.171 176.117 -0.025 0.000 0.991 320 I CA -0.724 60.561 61.300 -0.025 0.000 1.227 320 I CB 1.528 39.515 38.000 -0.023 0.000 1.366 320 I HN 0.686 nan 8.210 nan 0.000 0.466 321 G N 3.700 112.485 108.800 -0.025 0.000 2.372 321 G HA2 0.558 4.518 3.960 0.000 0.000 0.283 321 G HA3 0.558 4.518 3.960 0.000 0.000 0.283 321 G C 0.057 174.938 174.900 -0.032 0.000 1.177 321 G CA 0.112 45.195 45.100 -0.029 0.000 0.842 321 G HN 0.795 nan 8.290 nan 0.000 0.503 322 A N 1.995 124.793 122.820 -0.037 0.000 2.039 322 A HA 0.960 5.280 4.320 0.000 0.000 0.205 322 A C 0.685 178.247 177.584 -0.036 0.000 2.297 322 A CA 0.812 52.824 52.037 -0.042 0.000 1.472 322 A CB 0.094 19.067 19.000 -0.046 0.000 1.030 322 A HN 2.050 nan 8.150 nan 0.000 0.511 323 A N -0.944 121.855 122.820 -0.036 0.000 2.604 323 A HA 0.696 5.016 4.320 0.000 0.000 0.295 323 A C -3.199 174.363 177.584 -0.037 0.000 1.067 323 A CA -1.310 50.715 52.037 -0.021 0.000 0.683 323 A CB 0.418 19.420 19.000 0.003 0.000 1.281 323 A HN 0.178 nan 8.150 nan 0.000 0.407 324 P HA 0.408 nan 4.420 nan 0.000 0.267 324 P C -0.549 176.717 177.300 -0.055 0.000 1.200 324 P CA 0.714 63.694 63.100 -0.201 0.000 0.772 324 P CB -0.152 31.411 31.700 -0.229 0.000 0.855 325 F N -1.917 118.007 119.950 -0.044 0.000 3.056 325 F HA -0.193 4.335 4.527 0.000 0.000 0.301 325 F C 0.160 175.961 175.800 0.002 0.000 0.907 325 F CA 0.020 57.999 58.000 -0.033 0.000 1.113 325 F CB -2.388 36.590 39.000 -0.037 0.000 1.123 325 F HN 0.179 nan 8.300 nan 0.000 0.661 326 L N 1.090 122.364 121.223 0.085 0.000 2.499 326 L HA 0.114 4.454 4.340 0.000 0.000 0.273 326 L C 1.537 178.510 176.870 0.172 0.000 1.195 326 L CA 0.490 55.381 54.840 0.085 0.000 0.882 326 L CB 0.638 42.713 42.059 0.026 0.000 1.133 326 L HN 0.473 nan 8.230 nan 0.000 0.483 327 H N 1.333 120.422 119.070 0.032 0.000 4.025 327 H HA 0.145 4.701 4.556 0.000 0.000 0.129 327 H C -0.604 174.739 175.328 0.025 0.000 1.189 327 H CA -0.038 56.037 56.048 0.046 0.000 1.007 327 H CB 1.050 30.841 29.762 0.049 0.000 1.335 327 H HN 0.793 nan 8.280 nan 0.000 0.302 328 D N -0.080 120.269 120.400 -0.086 0.000 2.506 328 D HA 0.541 5.182 4.640 0.000 0.000 0.254 328 D C 0.301 176.542 176.300 -0.098 0.000 1.089 328 D CA -0.410 53.501 54.000 -0.149 0.000 1.050 328 D CB 2.399 43.064 40.800 -0.224 0.000 1.221 328 D HN 0.677 nan 8.370 nan 0.000 0.589 329 G N -2.684 106.083 108.800 -0.056 0.000 2.315 329 G HA2 0.598 4.558 3.960 0.000 0.000 0.294 329 G HA3 0.598 4.558 3.960 0.000 0.000 0.294 329 G C -1.062 173.860 174.900 0.037 0.000 1.300 329 G CA -0.227 44.788 45.100 -0.142 0.000 0.843 329 G HN 0.996 nan 8.290 nan 0.000 0.527 330 G N -2.081 106.717 108.800 -0.004 0.000 2.550 330 G HA2 0.537 4.497 3.960 0.000 0.000 0.293 330 G HA3 0.537 4.497 3.960 0.000 0.000 0.293 330 G C -1.300 173.782 174.900 0.303 0.000 1.402 330 G CA -0.814 44.422 45.100 0.226 0.000 0.784 330 G HN 0.695 nan 8.290 nan 0.000 0.482 331 W N 0.964 122.584 121.300 0.534 0.000 2.093 331 W HA 0.371 5.031 4.660 -0.000 0.000 0.352 331 W C 0.967 177.691 176.519 0.342 0.000 1.294 331 W CA -0.339 57.198 57.345 0.320 0.000 1.290 331 W CB 0.757 30.252 29.460 0.058 0.000 1.149 331 W HN 0.624 nan 8.180 nan 0.000 0.606 332 D N -0.535 120.233 120.400 0.612 0.000 2.451 332 D HA 0.020 4.660 4.640 0.000 0.000 0.259 332 D C 1.343 177.913 176.300 0.449 0.000 1.201 332 D CA 0.187 54.484 54.000 0.494 0.000 1.028 332 D CB 0.506 41.585 40.800 0.465 0.000 1.095 332 D HN 0.402 nan 8.370 nan 0.000 0.539 333 S N -0.116 115.775 115.700 0.319 0.000 2.374 333 S HA -0.271 4.199 4.470 0.000 0.000 0.227 333 S C 1.910 176.539 174.600 0.049 0.000 1.037 333 S CA 1.894 60.196 58.200 0.170 0.000 1.024 333 S CB -1.019 62.243 63.200 0.103 0.000 0.861 333 S HN 0.644 nan 8.310 nan 0.000 0.456 334 S N 0.361 116.115 115.700 0.090 0.000 2.527 334 S HA 0.030 4.500 4.470 0.000 0.000 0.222 334 S C 0.524 175.056 174.600 -0.114 0.000 0.985 334 S CA 0.417 58.595 58.200 -0.037 0.000 0.921 334 S CB -1.073 62.160 63.200 0.054 0.000 0.772 334 S HN 0.775 nan 8.310 nan 0.000 0.529 335 H N 0.049 118.982 119.070 -0.228 0.000 2.886 335 H HA -0.131 4.425 4.556 0.000 0.000 0.294 335 H C 1.146 175.908 175.328 -0.943 0.000 1.246 335 H CA 0.750 56.367 56.048 -0.718 0.000 1.142 335 H CB -1.073 28.139 29.762 -0.916 0.000 1.358 335 H HN 0.568 nan 8.280 nan 0.000 0.406 336 R N -0.019 120.263 120.500 -0.364 0.000 2.350 336 R HA 0.099 4.439 4.340 0.000 0.000 0.199 336 R C -0.372 175.759 176.300 -0.282 0.000 0.876 336 R CA 0.187 56.010 56.100 -0.461 0.000 1.062 336 R CB 0.756 30.747 30.300 -0.515 0.000 1.263 336 R HN 0.115 nan 8.270 nan 0.000 0.641 337 Y N 0.455 120.944 120.300 0.314 0.000 2.335 337 Y HA 0.285 4.835 4.550 0.001 0.000 0.339 337 Y C -0.718 175.466 175.900 0.473 0.000 0.987 337 Y CA -1.183 57.113 58.100 0.326 0.000 1.140 337 Y CB 1.043 39.620 38.460 0.195 0.000 1.173 337 Y HN -0.046 nan 8.280 nan 0.000 0.486 338 F N 5.764 125.878 119.950 0.273 0.000 2.405 338 F HA 0.367 4.894 4.527 0.001 0.000 0.358 338 F C -0.628 175.035 175.800 -0.227 0.000 1.151 338 F CA -1.722 56.246 58.000 -0.054 0.000 1.161 338 F CB 0.348 39.209 39.000 -0.231 0.000 1.245 338 F HN 0.327 nan 8.300 nan 0.000 0.545 339 M N 5.989 125.152 119.600 -0.729 0.000 2.201 339 M HA 0.156 4.636 4.480 0.000 0.000 0.345 339 M C 0.190 175.763 176.300 -1.212 0.000 1.352 339 M CA 0.084 54.707 55.300 -1.128 0.000 1.218 339 M CB -0.183 31.211 32.600 -2.010 0.000 1.512 339 M HN 0.553 nan 8.290 nan 0.000 0.447 340 T N 2.005 115.956 114.554 -1.006 0.000 2.885 340 T HA 0.780 5.130 4.350 0.000 0.000 0.285 340 T C -0.673 173.835 174.700 -0.320 0.000 1.019 340 T CA -0.600 61.048 62.100 -0.755 0.000 1.010 340 T CB 1.351 69.670 68.868 -0.916 0.000 1.022 340 T HN 0.703 nan 8.240 nan 0.000 0.466 341 A N 2.792 125.523 122.820 -0.148 0.000 2.289 341 A HA 0.714 5.034 4.320 0.000 0.000 0.298 341 A C 0.564 178.166 177.584 0.031 0.000 1.208 341 A CA -0.475 51.552 52.037 -0.017 0.000 0.845 341 A CB 0.252 19.274 19.000 0.036 0.000 1.125 341 A HN 1.139 nan 8.150 nan 0.000 0.517 342 A N 3.531 126.378 122.820 0.044 0.000 3.175 342 A HA 0.354 4.674 4.320 0.000 0.000 0.289 342 A C 1.123 178.774 177.584 0.112 0.000 1.429 342 A CA -0.209 51.884 52.037 0.094 0.000 1.155 342 A CB -1.009 18.033 19.000 0.071 0.000 1.169 342 A HN 1.035 nan 8.150 nan 0.000 0.574 343 N N 1.532 120.290 118.700 0.097 0.000 2.073 343 N HA -0.336 4.404 4.740 0.000 0.000 0.199 343 N C 0.853 176.366 175.510 0.005 0.000 1.023 343 N CA 2.663 55.745 53.050 0.053 0.000 0.880 343 N CB -0.866 37.631 38.487 0.018 0.000 1.052 343 N HN 0.700 nan 8.380 nan 0.000 0.449 344 N N -1.095 117.563 118.700 -0.071 0.000 2.512 344 N HA 0.055 4.795 4.740 0.000 0.000 0.183 344 N C 0.425 175.913 175.510 -0.037 0.000 1.073 344 N CA 0.728 53.656 53.050 -0.204 0.000 0.911 344 N CB 0.007 38.051 38.487 -0.738 0.000 0.964 344 N HN 0.246 nan 8.380 nan 0.000 0.447 345 S N 0.454 116.207 115.700 0.088 0.000 2.575 345 S HA 0.074 4.544 4.470 0.000 0.000 0.215 345 S C 0.071 174.711 174.600 0.066 0.000 0.966 345 S CA -0.267 57.995 58.200 0.104 0.000 0.911 345 S CB 0.164 63.446 63.200 0.137 0.000 0.780 345 S HN 0.305 nan 8.310 nan 0.000 0.514 346 N N 1.900 120.636 118.700 0.060 0.000 2.725 346 N HA -0.147 4.593 4.740 0.000 0.000 0.251 346 N C -0.675 174.884 175.510 0.081 0.000 1.031 346 N CA 1.135 54.228 53.050 0.072 0.000 0.720 346 N CB -1.002 37.510 38.487 0.043 0.000 0.930 346 N HN 0.555 nan 8.380 nan 0.000 0.543 347 K N -1.026 119.423 120.400 0.082 0.000 2.509 347 K HA 0.670 4.990 4.320 0.000 0.000 0.266 347 K C -0.764 175.869 176.600 0.056 0.000 0.987 347 K CA -0.782 55.545 56.287 0.067 0.000 0.868 347 K CB 2.434 34.959 32.500 0.041 0.000 1.421 347 K HN -0.129 nan 8.250 nan 0.000 0.444 348 V N 1.436 121.372 119.914 0.036 0.000 2.444 348 V HA 0.507 4.628 4.120 0.000 0.000 0.294 348 V C -0.748 175.285 176.094 -0.101 0.000 1.022 348 V CA -0.724 61.566 62.300 -0.017 0.000 0.850 348 V CB 1.457 33.317 31.823 0.062 0.000 0.992 348 V HN 0.903 nan 8.190 nan 0.000 0.426 349 A N 5.046 127.762 122.820 -0.174 0.000 2.301 349 A HA 0.800 5.121 4.320 0.000 0.000 0.312 349 A C -0.583 176.810 177.584 -0.318 0.000 1.182 349 A CA -0.443 51.473 52.037 -0.202 0.000 0.826 349 A CB 1.170 20.078 19.000 -0.154 0.000 1.134 349 A HN 0.674 nan 8.150 nan 0.000 0.501 350 V N 4.411 124.122 119.914 -0.338 0.000 2.347 350 V HA 0.297 4.417 4.120 0.000 0.000 0.280 350 V C -0.478 175.457 176.094 -0.264 0.000 1.021 350 V CA -0.403 61.636 62.300 -0.436 0.000 0.847 350 V CB 1.107 32.427 31.823 -0.838 0.000 0.990 350 V HN 0.676 nan 8.190 nan 0.000 0.444 351 I N 3.795 124.310 120.570 -0.092 0.000 2.328 351 I HA 0.295 4.465 4.170 0.000 0.000 0.287 351 I C 0.091 176.290 176.117 0.137 0.000 1.012 351 I CA -0.344 60.984 61.300 0.047 0.000 1.195 351 I CB 1.421 39.517 38.000 0.160 0.000 1.350 351 I HN 0.578 nan 8.210 nan 0.000 0.464 352 D N 4.675 125.140 120.400 0.109 0.000 2.342 352 D HA 0.012 4.652 4.640 0.000 0.000 0.260 352 D C 1.292 177.605 176.300 0.022 0.000 1.278 352 D CA 0.160 54.196 54.000 0.060 0.000 0.910 352 D CB 1.093 41.980 40.800 0.145 0.000 1.079 352 D HN 0.577 nan 8.370 nan 0.000 0.496 353 S N 3.369 119.078 115.700 0.016 0.000 2.481 353 S HA -0.112 4.358 4.470 0.000 0.000 0.231 353 S C 1.594 176.234 174.600 0.067 0.000 0.996 353 S CA 0.520 58.773 58.200 0.089 0.000 0.942 353 S CB 0.196 63.531 63.200 0.225 0.000 0.768 353 S HN 0.511 nan 8.310 nan 0.000 0.520 354 K N 1.168 121.555 120.400 -0.022 0.000 2.020 354 K HA 0.007 4.327 4.320 0.000 0.000 0.206 354 K C 1.072 177.768 176.600 0.160 0.000 1.038 354 K CA 1.338 57.643 56.287 0.030 0.000 0.947 354 K CB -0.211 32.242 32.500 -0.078 0.000 0.744 354 K HN 0.138 nan 8.250 nan 0.000 0.442 355 D N 0.768 121.211 120.400 0.072 0.000 2.348 355 D HA -0.029 4.611 4.640 0.000 0.000 0.216 355 D C -0.435 175.884 176.300 0.031 0.000 0.970 355 D CA 0.495 54.534 54.000 0.065 0.000 0.889 355 D CB 0.008 40.851 40.800 0.072 0.000 0.912 355 D HN 0.204 nan 8.370 nan 0.000 0.524 356 R N 0.188 120.705 120.500 0.029 0.000 3.079 356 R HA -0.221 4.119 4.340 0.000 0.000 0.254 356 R C -0.203 176.092 176.300 -0.007 0.000 0.900 356 R CA 0.508 56.605 56.100 -0.006 0.000 0.641 356 R CB -1.853 28.405 30.300 -0.070 0.000 1.307 356 R HN 0.390 nan 8.270 nan 0.000 0.477 357 R N -0.886 119.620 120.500 0.011 0.000 2.716 357 R HA 0.450 4.790 4.340 0.000 0.000 0.271 357 R C -1.428 174.870 176.300 -0.003 0.000 1.028 357 R CA -1.325 54.778 56.100 0.004 0.000 0.883 357 R CB 0.767 31.076 30.300 0.016 0.000 1.250 357 R HN 0.010 nan 8.270 nan 0.000 0.465 358 L N 2.143 123.352 121.223 -0.023 0.000 2.407 358 L HA 0.261 4.601 4.340 0.000 0.000 0.282 358 L C 0.438 177.257 176.870 -0.084 0.000 1.110 358 L CA 0.590 55.395 54.840 -0.059 0.000 0.863 358 L CB 1.200 43.227 42.059 -0.054 0.000 1.207 358 L HN 0.822 nan 8.230 nan 0.000 0.454 359 S N 3.495 119.099 115.700 -0.160 0.000 2.428 359 S HA 0.431 4.901 4.470 0.000 0.000 0.230 359 S C 0.567 174.977 174.600 -0.317 0.000 1.014 359 S CA 0.676 58.730 58.200 -0.243 0.000 0.957 359 S CB -0.151 62.762 63.200 -0.478 0.000 0.784 359 S HN 0.920 nan 8.310 nan 0.000 0.499 360 A N -0.285 122.337 122.820 -0.329 0.000 2.452 360 A HA 0.617 4.937 4.320 0.000 0.000 0.294 360 A C -2.193 175.292 177.584 -0.164 0.000 1.010 360 A CA -0.778 51.134 52.037 -0.207 0.000 0.613 360 A CB 0.331 19.208 19.000 -0.204 0.000 1.363 360 A HN 0.147 nan 8.150 nan 0.000 0.463 361 L N 1.321 122.500 121.223 -0.073 0.000 2.427 361 L HA 0.466 4.806 4.340 0.000 0.000 0.264 361 L C -0.981 175.888 176.870 -0.002 0.000 0.989 361 L CA -0.801 54.011 54.840 -0.048 0.000 0.865 361 L CB 1.722 43.764 42.059 -0.027 0.000 1.209 361 L HN 0.548 nan 8.230 nan 0.000 0.430 362 V N 1.393 121.312 119.914 0.009 0.000 2.498 362 V HA 0.216 4.336 4.120 0.000 0.000 0.279 362 V C 0.083 176.215 176.094 0.062 0.000 1.048 362 V CA -0.657 61.677 62.300 0.057 0.000 0.967 362 V CB 1.456 33.336 31.823 0.094 0.000 0.988 362 V HN 0.518 nan 8.190 nan 0.000 0.473 363 D N 3.360 123.797 120.400 0.060 0.000 2.317 363 D HA 0.420 5.060 4.640 0.000 0.000 0.252 363 D C 0.204 176.549 176.300 0.074 0.000 1.174 363 D CA 0.266 54.301 54.000 0.058 0.000 0.866 363 D CB 1.840 42.664 40.800 0.041 0.000 1.127 363 D HN 0.505 nan 8.370 nan 0.000 0.467 364 V N 0.415 120.386 119.914 0.096 0.000 3.528 364 V HA 0.879 4.999 4.120 0.000 0.000 0.301 364 V C 0.788 176.909 176.094 0.046 0.000 1.332 364 V CA -0.689 61.693 62.300 0.137 0.000 1.004 364 V CB 0.528 32.525 31.823 0.290 0.000 1.222 364 V HN 0.433 nan 8.190 nan 0.000 0.478 365 G N -0.558 108.193 108.800 -0.081 0.000 2.510 365 G HA2 0.470 4.431 3.960 0.000 0.000 0.280 365 G HA3 0.470 4.431 3.960 0.000 0.000 0.280 365 G C -0.709 174.076 174.900 -0.192 0.000 1.386 365 G CA -0.904 43.944 45.100 -0.421 0.000 1.047 365 G HN 0.776 nan 8.290 nan 0.000 0.527 366 K N 1.076 121.361 120.400 -0.193 0.000 2.378 366 K HA 0.401 4.721 4.320 0.000 0.000 0.288 366 K C 0.023 176.673 176.600 0.084 0.000 1.057 366 K CA 0.390 56.656 56.287 -0.034 0.000 0.971 366 K CB 0.320 32.794 32.500 -0.043 0.000 0.975 366 K HN 0.482 nan 8.250 nan 0.000 0.475 367 T N 2.654 117.272 114.554 0.105 0.000 3.318 367 T HA -0.095 4.255 4.350 0.000 0.000 0.428 367 T C -2.494 172.331 174.700 0.209 0.000 0.768 367 T CA -0.647 61.520 62.100 0.111 0.000 2.218 367 T CB -1.513 67.378 68.868 0.037 0.000 1.689 367 T HN 0.422 nan 8.240 nan 0.000 0.671 368 P HA 0.176 nan 4.420 nan 0.000 0.268 368 P C 0.057 177.379 177.300 0.036 0.000 1.204 368 P CA 0.155 63.280 63.100 0.041 0.000 0.768 368 P CB 0.419 32.160 31.700 0.068 0.000 0.842 369 H N 5.497 124.480 119.070 -0.145 0.000 2.538 369 H HA 0.186 4.743 4.556 0.000 0.000 0.239 369 H C -2.185 173.054 175.328 -0.148 0.000 1.401 369 H CA -1.895 54.098 56.048 -0.092 0.000 1.499 369 H CB 1.380 31.079 29.762 -0.104 0.000 1.624 369 H HN 0.250 nan 8.280 nan 0.000 0.524 370 P HA 0.072 nan 4.420 nan 0.000 0.231 370 P C 1.080 178.355 177.300 -0.042 0.000 1.168 370 P CA 1.443 64.486 63.100 -0.096 0.000 0.779 370 P CB 1.049 32.802 31.700 0.088 0.000 0.844 371 G N 1.789 110.481 108.800 -0.181 0.000 2.591 371 G HA2 -0.356 3.604 3.960 0.000 0.000 0.298 371 G HA3 -0.356 3.604 3.960 0.000 0.000 0.298 371 G C 0.975 175.927 174.900 0.086 0.000 1.195 371 G CA 0.447 45.584 45.100 0.062 0.000 0.989 371 G HN 0.295 nan 8.290 nan 0.000 0.551 372 R N 1.637 122.175 120.500 0.064 0.000 2.317 372 R HA 0.438 4.778 4.340 0.000 0.000 0.208 372 R C 1.373 177.722 176.300 0.083 0.000 0.914 372 R CA 1.166 57.196 56.100 -0.118 0.000 1.060 372 R CB -0.125 29.789 30.300 -0.643 0.000 1.015 372 R HN 2.035 nan 8.270 nan 0.000 0.498 373 G N 0.113 108.983 108.800 0.117 0.000 2.757 373 G HA2 -0.029 3.931 3.960 0.000 0.000 0.638 373 G HA3 -0.029 3.931 3.960 0.000 0.000 0.638 373 G C -1.134 173.764 174.900 -0.005 0.000 1.344 373 G CA -0.548 44.507 45.100 -0.074 0.000 0.855 373 G HN 0.339 nan 8.290 nan 0.000 0.537 374 A N 0.466 123.148 122.820 -0.230 0.000 2.375 374 A HA 0.757 5.077 4.320 0.000 0.000 0.295 374 A C -0.329 177.343 177.584 0.147 0.000 1.066 374 A CA -0.574 51.532 52.037 0.115 0.000 0.722 374 A CB 1.112 20.210 19.000 0.163 0.000 1.206 374 A HN 0.815 nan 8.150 nan 0.000 0.435 375 N N 1.695 120.591 118.700 0.327 0.000 2.399 375 N HA 0.820 5.560 4.740 0.000 0.000 0.295 375 N C -1.034 174.689 175.510 0.355 0.000 1.048 375 N CA 0.167 53.387 53.050 0.283 0.000 0.886 375 N CB 1.849 40.529 38.487 0.322 0.000 1.185 375 N HN 0.676 nan 8.380 nan 0.000 0.487 376 F N -2.218 117.800 119.950 0.114 0.000 2.770 376 F HA 0.420 4.947 4.527 0.000 0.000 0.313 376 F C -1.412 174.433 175.800 0.076 0.000 1.154 376 F CA -1.230 56.817 58.000 0.078 0.000 0.923 376 F CB 0.514 39.553 39.000 0.065 0.000 1.301 376 F HN 0.003 nan 8.300 nan 0.000 0.449 377 V N 2.709 122.768 119.914 0.241 0.000 2.385 377 V HA 0.198 4.318 4.120 0.000 0.000 0.269 377 V C 0.024 176.239 176.094 0.202 0.000 1.043 377 V CA -0.282 62.091 62.300 0.122 0.000 0.906 377 V CB 0.317 32.197 31.823 0.094 0.000 0.995 377 V HN 0.826 nan 8.190 nan 0.000 0.467 378 H N 8.888 127.978 119.070 0.033 0.000 2.646 378 H HA 0.217 4.773 4.556 0.000 0.000 0.325 378 H C -1.482 173.859 175.328 0.022 0.000 1.075 378 H CA -1.788 54.316 56.048 0.092 0.000 1.421 378 H CB 2.216 32.017 29.762 0.064 0.000 1.461 378 H HN 0.378 nan 8.280 nan 0.000 0.525 379 P HA -0.194 nan 4.420 nan 0.000 0.215 379 P C 1.216 178.558 177.300 0.069 0.000 1.157 379 P CA 1.618 64.713 63.100 -0.009 0.000 0.874 379 P CB 0.522 32.160 31.700 -0.104 0.000 0.790 380 K N -1.358 119.120 120.400 0.130 0.000 2.166 380 K HA -0.049 4.271 4.320 0.000 0.000 0.201 380 K C 1.635 178.032 176.600 -0.339 0.000 1.052 380 K CA 0.670 56.834 56.287 -0.205 0.000 0.969 380 K CB -0.018 32.142 32.500 -0.567 0.000 0.761 380 K HN 0.032 nan 8.250 nan 0.000 0.459 381 Y N 0.228 120.467 120.300 -0.102 0.000 2.458 381 Y HA 0.317 4.867 4.550 0.000 0.000 0.256 381 Y C 1.036 176.779 175.900 -0.262 0.000 1.159 381 Y CA 0.040 57.870 58.100 -0.450 0.000 1.261 381 Y CB 0.493 38.416 38.460 -0.896 0.000 1.119 381 Y HN 0.286 nan 8.280 nan 0.000 0.524 382 G N 0.720 109.474 108.800 -0.077 0.000 2.642 382 G HA2 -0.245 3.715 3.960 0.000 0.000 0.231 382 G HA3 -0.245 3.715 3.960 0.000 0.000 0.231 382 G C -2.732 172.045 174.900 -0.206 0.000 1.338 382 G CA -1.209 43.674 45.100 -0.362 0.000 0.883 382 G HN 0.031 nan 8.290 nan 0.000 0.570 383 P HA 0.378 nan 4.420 nan 0.000 0.262 383 P C 0.220 177.438 177.300 -0.136 0.000 1.199 383 P CA 0.626 63.651 63.100 -0.124 0.000 0.763 383 P CB 0.754 32.411 31.700 -0.072 0.000 0.790 384 V N 1.454 121.250 119.914 -0.196 0.000 3.001 384 V HA 0.734 4.854 4.120 0.000 0.000 0.314 384 V C -1.474 174.549 176.094 -0.118 0.000 1.099 384 V CA -1.243 60.939 62.300 -0.196 0.000 0.989 384 V CB 2.420 34.034 31.823 -0.349 0.000 1.040 384 V HN 0.506 nan 8.190 nan 0.000 0.434 385 W N 2.865 124.093 121.300 -0.120 0.000 2.702 385 W HA 0.813 5.473 4.660 0.001 0.000 0.331 385 W C -0.152 176.370 176.519 0.005 0.000 1.049 385 W CA 0.098 57.449 57.345 0.009 0.000 1.230 385 W CB 2.093 31.623 29.460 0.116 0.000 1.408 385 W HN 1.055 nan 8.180 nan 0.000 0.492 386 S N 3.507 118.836 115.700 -0.618 0.000 2.600 386 S HA 0.865 5.335 4.470 0.000 0.000 0.300 386 S C -0.817 173.255 174.600 -0.880 0.000 1.087 386 S CA -0.736 57.152 58.200 -0.519 0.000 0.965 386 S CB 2.049 65.188 63.200 -0.101 0.000 1.089 386 S HN 0.605 nan 8.310 nan 0.000 0.496 387 T N 0.306 114.549 114.554 -0.517 0.000 2.894 387 T HA 0.692 5.042 4.350 0.000 0.000 0.309 387 T C -0.493 174.031 174.700 -0.294 0.000 1.208 387 T CA -0.285 61.546 62.100 -0.449 0.000 1.016 387 T CB 1.359 69.971 68.868 -0.427 0.000 1.192 387 T HN 1.176 nan 8.240 nan 0.000 0.491 388 S N 2.273 117.817 115.700 -0.260 0.000 2.768 388 S HA 0.859 5.329 4.470 0.000 0.000 0.300 388 S C -0.964 173.405 174.600 -0.385 0.000 1.122 388 S CA -0.641 57.465 58.200 -0.157 0.000 0.995 388 S CB 0.856 64.059 63.200 0.005 0.000 1.195 388 S HN 0.879 nan 8.310 nan 0.000 0.547 389 H N -1.428 117.668 119.070 0.042 0.000 2.928 389 H HA 0.515 5.072 4.556 0.000 0.000 0.371 389 H C 0.085 175.432 175.328 0.032 0.000 1.186 389 H CA -0.796 55.280 56.048 0.047 0.000 1.134 389 H CB 1.229 31.013 29.762 0.036 0.000 1.824 389 H HN 0.376 nan 8.280 nan 0.000 0.554 390 L N 0.390 121.703 121.223 0.149 0.000 2.249 390 L HA 0.144 4.484 4.340 0.000 0.000 0.207 390 L C 2.217 179.125 176.870 0.064 0.000 1.090 390 L CA 1.156 56.037 54.840 0.069 0.000 0.802 390 L CB 0.037 42.103 42.059 0.012 0.000 0.947 390 L HN 0.898 nan 8.230 nan 0.000 0.453 391 G N -0.375 108.472 108.800 0.079 0.000 2.712 391 G HA2 -0.036 3.924 3.960 0.000 0.000 0.212 391 G HA3 -0.036 3.924 3.960 0.000 0.000 0.212 391 G C -0.154 174.755 174.900 0.015 0.000 1.142 391 G CA 0.589 45.708 45.100 0.031 0.000 0.789 391 G HN 0.511 nan 8.290 nan 0.000 0.535 392 D N -3.814 116.609 120.400 0.038 0.000 2.692 392 D HA 0.366 5.006 4.640 0.000 0.000 0.290 392 D C 0.607 176.940 176.300 0.055 0.000 1.281 392 D CA -0.149 53.857 54.000 0.010 0.000 0.804 392 D CB 0.522 41.286 40.800 -0.059 0.000 1.331 392 D HN -0.088 nan 8.370 nan 0.000 0.432 393 G N -0.813 108.016 108.800 0.048 0.000 3.314 393 G HA2 0.332 4.292 3.960 0.000 0.000 0.238 393 G HA3 0.332 4.292 3.960 0.000 0.000 0.238 393 G C 0.329 175.293 174.900 0.108 0.000 1.184 393 G CA 0.306 45.453 45.100 0.080 0.000 0.806 393 G HN 0.656 nan 8.290 nan 0.000 0.536 394 S N -0.357 115.399 115.700 0.093 0.000 2.652 394 S HA 0.703 5.173 4.470 0.000 0.000 0.270 394 S C -0.603 174.140 174.600 0.239 0.000 1.243 394 S CA -0.563 57.702 58.200 0.107 0.000 0.999 394 S CB 1.891 65.081 63.200 -0.017 0.000 0.973 394 S HN -0.046 nan 8.310 nan 0.000 0.544 395 I N 1.630 122.294 120.570 0.156 0.000 2.468 395 I HA 0.309 4.479 4.170 0.000 0.000 0.284 395 I C -0.401 175.773 176.117 0.096 0.000 1.038 395 I CA -0.034 61.329 61.300 0.105 0.000 1.083 395 I CB 1.984 39.958 38.000 -0.043 0.000 1.223 395 I HN 0.646 nan 8.210 nan 0.000 0.443 396 S N 6.684 122.470 115.700 0.142 0.000 2.513 396 S HA 0.645 5.115 4.470 0.000 0.000 0.276 396 S C -0.269 174.349 174.600 0.031 0.000 1.254 396 S CA -0.568 57.697 58.200 0.107 0.000 1.053 396 S CB 0.667 63.979 63.200 0.187 0.000 0.958 396 S HN 0.347 nan 8.310 nan 0.000 0.491 397 L N 4.179 125.408 121.223 0.010 0.000 2.319 397 L HA 0.563 4.904 4.340 0.000 0.000 0.281 397 L C -0.772 176.074 176.870 -0.039 0.000 1.005 397 L CA -0.378 54.445 54.840 -0.029 0.000 0.828 397 L CB 0.902 42.942 42.059 -0.031 0.000 1.227 397 L HN 0.511 nan 8.230 nan 0.000 0.415 398 I N 2.334 122.935 120.570 0.052 0.000 2.378 398 I HA 0.358 4.528 4.170 0.000 0.000 0.291 398 I C 0.874 177.023 176.117 0.054 0.000 0.992 398 I CA -0.536 60.822 61.300 0.097 0.000 1.154 398 I CB 1.919 40.084 38.000 0.276 0.000 1.315 398 I HN 0.604 nan 8.210 nan 0.000 0.448 399 G N 2.781 111.551 108.800 -0.050 0.000 2.365 399 G HA2 0.300 4.260 3.960 0.000 0.000 0.249 399 G HA3 0.300 4.260 3.960 0.000 0.000 0.249 399 G C 0.583 175.358 174.900 -0.208 0.000 1.288 399 G CA -0.109 44.915 45.100 -0.126 0.000 0.887 399 G HN 0.754 nan 8.290 nan 0.000 0.524 400 T N -0.982 113.445 114.554 -0.213 0.000 3.296 400 T HA 0.225 4.575 4.350 0.000 0.000 0.285 400 T C -0.143 174.313 174.700 -0.407 0.000 1.014 400 T CA -0.435 61.487 62.100 -0.297 0.000 0.920 400 T CB 0.567 69.542 68.868 0.179 0.000 1.143 400 T HN 0.375 nan 8.240 nan 0.000 0.522 401 D N 2.285 122.427 120.400 -0.430 0.000 2.432 401 D HA 0.328 4.968 4.640 0.000 0.000 0.265 401 D C -1.645 174.488 176.300 -0.278 0.000 1.160 401 D CA -2.425 51.436 54.000 -0.231 0.000 0.911 401 D CB 2.052 42.818 40.800 -0.056 0.000 1.052 401 D HN 0.028 nan 8.370 nan 0.000 0.508 402 P HA -0.070 nan 4.420 nan 0.000 0.222 402 P C 1.189 178.434 177.300 -0.093 0.000 1.153 402 P CA 0.458 63.384 63.100 -0.289 0.000 0.798 402 P CB 0.893 32.450 31.700 -0.238 0.000 0.796 403 K N 0.508 120.897 120.400 -0.019 0.000 1.985 403 K HA -0.040 4.280 4.320 0.000 0.000 0.210 403 K C 1.669 178.264 176.600 -0.007 0.000 1.047 403 K CA 1.518 57.814 56.287 0.015 0.000 0.932 403 K CB -0.410 32.121 32.500 0.051 0.000 0.716 403 K HN 0.018 nan 8.250 nan 0.000 0.439 404 N N -0.576 118.136 118.700 0.020 0.000 2.230 404 N HA 0.040 4.780 4.740 0.000 0.000 0.202 404 N C -0.541 174.886 175.510 -0.139 0.000 1.119 404 N CA 0.321 53.359 53.050 -0.021 0.000 0.851 404 N CB 0.727 39.237 38.487 0.038 0.000 0.990 404 N HN 0.222 nan 8.380 nan 0.000 0.497 405 H N -1.149 117.872 119.070 -0.081 0.000 3.038 405 H HA 0.167 4.723 4.556 0.000 0.000 0.223 405 H C -1.752 173.469 175.328 -0.178 0.000 1.400 405 H CA -0.806 55.186 56.048 -0.092 0.000 1.153 405 H CB 1.105 30.872 29.762 0.009 0.000 2.234 405 H HN 0.012 nan 8.280 nan 0.000 0.541 406 P HA -0.207 nan 4.420 nan 0.000 0.220 406 P C 0.825 178.013 177.300 -0.186 0.000 1.144 406 P CA 1.175 64.178 63.100 -0.161 0.000 0.800 406 P CB 0.522 32.150 31.700 -0.120 0.000 0.772 407 Q N -1.468 118.173 119.800 -0.265 0.000 2.224 407 Q HA -0.123 4.218 4.340 0.000 0.000 0.203 407 Q C 1.373 177.186 176.000 -0.312 0.000 0.970 407 Q CA 1.430 57.019 55.803 -0.357 0.000 0.865 407 Q CB -0.798 27.586 28.738 -0.590 0.000 0.922 407 Q HN 0.386 nan 8.270 nan 0.000 0.445 408 Y N -0.296 119.970 120.300 -0.057 0.000 2.483 408 Y HA 0.492 5.042 4.550 0.000 0.000 0.258 408 Y C 0.682 176.447 175.900 -0.225 0.000 1.083 408 Y CA -0.949 57.084 58.100 -0.111 0.000 1.283 408 Y CB -0.384 38.043 38.460 -0.054 0.000 1.178 408 Y HN -0.027 nan 8.280 nan 0.000 0.515 409 A N 0.271 122.957 122.820 -0.223 0.000 2.580 409 A HA 0.016 4.336 4.320 0.000 0.000 0.244 409 A C 0.092 177.327 177.584 -0.582 0.000 1.045 409 A CA 0.355 51.970 52.037 -0.703 0.000 0.761 409 A CB -1.184 17.212 19.000 -1.007 0.000 0.962 409 A HN 0.741 nan 8.150 nan 0.000 0.512 410 W N 0.054 121.324 121.300 -0.050 0.000 4.141 410 W HA -0.209 4.451 4.660 0.000 0.000 0.336 410 W C 0.327 176.833 176.519 -0.023 0.000 1.258 410 W CA 0.648 57.964 57.345 -0.049 0.000 0.747 410 W CB -1.554 27.868 29.460 -0.062 0.000 2.338 410 W HN 0.679 nan 8.180 nan 0.000 1.410 411 K N 1.054 121.520 120.400 0.110 0.000 2.259 411 K HA 0.301 4.621 4.320 0.000 0.000 0.252 411 K C 0.289 176.888 176.600 -0.002 0.000 0.936 411 K CA -1.204 55.115 56.287 0.054 0.000 0.810 411 K CB 1.608 34.123 32.500 0.024 0.000 1.143 411 K HN -0.174 nan 8.250 nan 0.000 0.427 412 K N 3.601 124.000 120.400 -0.002 0.000 2.121 412 K HA 0.022 4.342 4.320 0.000 0.000 0.235 412 K C 0.835 177.352 176.600 -0.138 0.000 1.200 412 K CA 0.003 56.272 56.287 -0.030 0.000 1.115 412 K CB 0.032 32.539 32.500 0.012 0.000 1.474 412 K HN 0.427 nan 8.250 nan 0.000 0.295 413 V N 2.151 121.895 119.914 -0.282 0.000 2.380 413 V HA -0.205 3.915 4.120 0.000 0.000 0.251 413 V C 0.725 176.443 176.094 -0.627 0.000 1.063 413 V CA 2.105 64.021 62.300 -0.640 0.000 1.055 413 V CB -0.190 31.018 31.823 -1.025 0.000 0.657 413 V HN 0.819 nan 8.190 nan 0.000 0.455 414 A N -1.733 120.888 122.820 -0.333 0.000 2.566 414 A HA 0.708 5.028 4.320 0.000 0.000 0.290 414 A C -1.032 176.533 177.584 -0.032 0.000 1.071 414 A CA -0.703 51.253 52.037 -0.135 0.000 0.658 414 A CB 1.177 20.153 19.000 -0.040 0.000 1.285 414 A HN 0.253 nan 8.150 nan 0.000 0.427 415 E N -0.461 119.753 120.200 0.023 0.000 2.392 415 E HA 0.767 5.117 4.350 0.000 0.000 0.269 415 E C -1.474 175.155 176.600 0.048 0.000 0.924 415 E CA -0.671 55.751 56.400 0.036 0.000 0.784 415 E CB 2.489 32.211 29.700 0.036 0.000 1.292 415 E HN 0.525 nan 8.360 nan 0.000 0.447 416 L N 1.077 122.314 121.223 0.023 0.000 2.327 416 L HA 0.434 4.774 4.340 0.000 0.000 0.258 416 L C -1.031 175.907 176.870 0.114 0.000 1.024 416 L CA -1.048 53.797 54.840 0.009 0.000 0.825 416 L CB 2.157 44.027 42.059 -0.315 0.000 1.386 416 L HN 0.293 nan 8.230 nan 0.000 0.417 417 Q N 0.862 120.835 119.800 0.288 0.000 2.330 417 Q HA 0.518 4.858 4.340 0.000 0.000 0.269 417 Q C -0.174 176.139 176.000 0.521 0.000 1.022 417 Q CA -0.372 55.624 55.803 0.321 0.000 0.796 417 Q CB 2.298 31.191 28.738 0.257 0.000 1.271 417 Q HN 0.815 nan 8.270 nan 0.000 0.450 418 G N 0.658 109.640 108.800 0.302 0.000 2.583 418 G HA2 0.158 4.118 3.960 0.000 0.000 0.280 418 G HA3 0.158 4.118 3.960 0.000 0.000 0.280 418 G C 0.506 175.350 174.900 -0.093 0.000 1.376 418 G CA -0.247 44.865 45.100 0.020 0.000 1.043 418 G HN 0.547 nan 8.290 nan 0.000 0.538 419 Q N -0.671 118.943 119.800 -0.311 0.000 2.291 419 Q HA 0.182 4.522 4.340 0.000 0.000 0.206 419 Q C 1.144 177.146 176.000 0.003 0.000 0.976 419 Q CA 1.049 56.783 55.803 -0.115 0.000 0.875 419 Q CB -0.016 28.627 28.738 -0.158 0.000 0.927 419 Q HN 0.774 nan 8.270 nan 0.000 0.450 420 G N -1.122 107.684 108.800 0.010 0.000 2.350 420 G HA2 0.220 4.181 3.960 0.000 0.000 0.282 420 G HA3 0.220 4.181 3.960 0.000 0.000 0.282 420 G C -0.548 174.375 174.900 0.038 0.000 1.314 420 G CA -0.787 44.332 45.100 0.033 0.000 0.915 420 G HN 0.238 nan 8.290 nan 0.000 0.499 421 G N -1.619 107.204 108.800 0.039 0.000 2.631 421 G HA2 0.572 4.532 3.960 0.000 0.000 0.271 421 G HA3 0.572 4.532 3.960 0.000 0.000 0.271 421 G C 1.415 176.346 174.900 0.053 0.000 1.302 421 G CA 1.438 46.567 45.100 0.050 0.000 1.002 421 G HN 2.500 nan 8.290 nan 0.000 0.519 422 G N -1.900 106.941 108.800 0.067 0.000 2.136 422 G HA2 -0.165 3.795 3.960 0.000 0.000 0.242 422 G HA3 -0.165 3.795 3.960 0.000 0.000 0.242 422 G C 0.573 175.524 174.900 0.085 0.000 0.989 422 G CA 0.795 45.955 45.100 0.099 0.000 0.682 422 G HN 1.355 nan 8.290 nan 0.000 0.522 423 S N -0.900 114.835 115.700 0.058 0.000 2.565 423 S HA 0.628 5.098 4.470 0.000 0.000 0.274 423 S C 1.175 175.747 174.600 -0.046 0.000 1.309 423 S CA -0.197 58.026 58.200 0.039 0.000 1.043 423 S CB 1.115 64.351 63.200 0.060 0.000 0.939 423 S HN 0.409 nan 8.310 nan 0.000 0.504 424 L N 4.031 125.206 121.223 -0.080 0.000 2.600 424 L HA 0.595 4.935 4.340 0.000 0.000 0.213 424 L C -0.821 175.698 176.870 -0.584 0.000 1.045 424 L CA 0.968 55.548 54.840 -0.433 0.000 0.863 424 L CB 0.050 41.927 42.059 -0.303 0.000 1.189 424 L HN 0.676 nan 8.230 nan 0.000 0.484 425 F N -0.710 119.338 119.950 0.163 0.000 2.569 425 F HA 0.480 5.007 4.527 -0.000 0.000 0.312 425 F C -0.292 175.588 175.800 0.133 0.000 1.109 425 F CA -0.752 57.339 58.000 0.152 0.000 0.919 425 F CB 1.910 40.981 39.000 0.119 0.000 1.211 425 F HN -0.323 nan 8.300 nan 0.000 0.446 426 I N 2.950 123.681 120.570 0.268 0.000 2.562 426 I HA 0.678 4.848 4.170 0.000 0.000 0.301 426 I C -1.152 175.119 176.117 0.258 0.000 1.003 426 I CA -0.633 60.795 61.300 0.214 0.000 1.127 426 I CB 1.744 39.789 38.000 0.075 0.000 1.304 426 I HN 0.683 nan 8.210 nan 0.000 0.446 427 K N 3.423 124.020 120.400 0.328 0.000 2.575 427 K HA 0.651 4.972 4.320 0.000 0.000 0.279 427 K C -1.174 175.741 176.600 0.525 0.000 0.969 427 K CA -0.415 56.110 56.287 0.396 0.000 0.868 427 K CB 2.098 34.823 32.500 0.376 0.000 1.457 427 K HN 0.688 nan 8.250 nan 0.000 0.426 428 T N -0.173 114.682 114.554 0.501 0.000 2.653 428 T HA 0.426 4.776 4.350 0.000 0.000 0.306 428 T C -2.236 172.453 174.700 -0.019 0.000 1.426 428 T CA -0.461 61.869 62.100 0.383 0.000 1.008 428 T CB 0.691 69.711 68.868 0.253 0.000 1.692 428 T HN 0.584 nan 8.240 nan 0.000 0.483 429 H N -0.285 118.602 119.070 -0.305 0.000 3.064 429 H HA 0.352 4.908 4.556 0.000 0.000 0.352 429 H C -2.450 172.803 175.328 -0.123 0.000 1.260 429 H CA -1.257 54.566 56.048 -0.375 0.000 1.160 429 H CB 2.311 31.514 29.762 -0.933 0.000 1.879 429 H HN 0.346 nan 8.280 nan 0.000 0.544 430 P HA -0.067 nan 4.420 nan 0.000 0.216 430 P C 0.645 177.993 177.300 0.079 0.000 1.150 430 P CA 1.535 64.586 63.100 -0.083 0.000 0.837 430 P CB 0.306 31.893 31.700 -0.188 0.000 0.786 431 K N -1.222 119.347 120.400 0.282 0.000 2.444 431 K HA 0.144 4.464 4.320 0.000 0.000 0.193 431 K C 0.732 177.427 176.600 0.158 0.000 1.024 431 K CA 0.068 56.483 56.287 0.214 0.000 1.077 431 K CB 0.162 32.801 32.500 0.231 0.000 0.833 431 K HN 0.033 nan 8.250 nan 0.000 0.517 432 S N 0.171 115.966 115.700 0.160 0.000 2.549 432 S HA 0.165 4.635 4.470 0.000 0.000 0.297 432 S C 0.672 175.309 174.600 0.060 0.000 1.115 432 S CA -0.803 57.488 58.200 0.151 0.000 1.059 432 S CB 1.461 64.828 63.200 0.278 0.000 1.046 432 S HN 0.198 nan 8.310 nan 0.000 0.506 433 S N 2.517 118.179 115.700 -0.064 0.000 2.557 433 S HA 0.316 4.786 4.470 0.000 0.000 0.223 433 S C -0.006 174.443 174.600 -0.252 0.000 0.969 433 S CA -0.297 57.795 58.200 -0.180 0.000 0.927 433 S CB -0.432 62.624 63.200 -0.239 0.000 0.806 433 S HN 0.804 nan 8.310 nan 0.000 0.489 434 H N 0.165 119.296 119.070 0.102 0.000 2.567 434 H HA 0.723 5.280 4.556 0.000 0.000 0.345 434 H C -1.158 174.199 175.328 0.049 0.000 1.169 434 H CA -0.970 55.097 56.048 0.032 0.000 1.227 434 H CB 1.680 31.451 29.762 0.015 0.000 1.607 434 H HN 0.187 nan 8.280 nan 0.000 0.534 435 L N 2.923 124.185 121.223 0.065 0.000 2.446 435 L HA 0.316 4.656 4.340 0.000 0.000 0.268 435 L C -1.804 175.131 176.870 0.108 0.000 0.975 435 L CA -0.442 54.472 54.840 0.124 0.000 0.848 435 L CB 0.242 42.303 42.059 0.003 0.000 1.225 435 L HN 0.515 nan 8.230 nan 0.000 0.410 436 Y N 3.774 124.262 120.300 0.313 0.000 2.335 436 Y HA 0.736 5.286 4.550 0.000 0.000 0.323 436 Y C -0.017 176.045 175.900 0.271 0.000 1.224 436 Y CA -0.723 57.552 58.100 0.292 0.000 1.241 436 Y CB 1.719 40.356 38.460 0.295 0.000 1.235 436 Y HN 0.276 nan 8.280 nan 0.000 0.492 437 V N 2.849 122.991 119.914 0.380 0.000 2.655 437 V HA 0.211 4.332 4.120 0.000 0.000 0.301 437 V C -0.956 175.264 176.094 0.210 0.000 1.082 437 V CA -1.101 61.363 62.300 0.274 0.000 0.899 437 V CB 1.626 33.594 31.823 0.241 0.000 1.014 437 V HN 0.847 nan 8.190 nan 0.000 0.429 438 D N 2.564 123.100 120.400 0.226 0.000 2.466 438 D HA 0.601 5.241 4.640 0.000 0.000 0.262 438 D C 0.281 176.638 176.300 0.094 0.000 1.177 438 D CA -0.428 53.677 54.000 0.174 0.000 1.035 438 D CB 1.515 42.462 40.800 0.245 0.000 1.105 438 D HN 0.546 nan 8.370 nan 0.000 0.551 439 T N -3.754 110.829 114.554 0.049 0.000 4.003 439 T HA 0.208 4.558 4.350 0.000 0.000 0.239 439 T C 0.775 175.462 174.700 -0.022 0.000 0.992 439 T CA -0.578 61.532 62.100 0.016 0.000 1.317 439 T CB -0.501 68.359 68.868 -0.013 0.000 0.940 439 T HN 0.336 nan 8.240 nan 0.000 0.593 440 T N 1.131 115.661 114.554 -0.040 0.000 2.685 440 T HA -0.102 4.248 4.350 0.000 0.000 0.268 440 T C 0.603 175.028 174.700 -0.460 0.000 1.034 440 T CA 1.607 63.570 62.100 -0.228 0.000 1.149 440 T CB -0.399 68.326 68.868 -0.237 0.000 0.860 440 T HN 0.515 nan 8.240 nan 0.000 0.449 441 F N 1.180 121.141 119.950 0.019 0.000 2.684 441 F HA 0.366 4.894 4.527 0.000 0.000 0.298 441 F C 0.934 176.719 175.800 -0.025 0.000 1.120 441 F CA -1.256 56.737 58.000 -0.011 0.000 1.332 441 F CB -0.248 38.743 39.000 -0.014 0.000 0.986 441 F HN 0.029 nan 8.300 nan 0.000 0.524 442 N N 2.977 121.716 118.700 0.065 0.000 2.513 442 N HA 0.044 4.784 4.740 0.000 0.000 0.268 442 N C -1.485 174.035 175.510 0.017 0.000 1.180 442 N CA -0.992 52.079 53.050 0.036 0.000 0.948 442 N CB 1.385 39.874 38.487 0.004 0.000 1.083 442 N HN -0.022 nan 8.380 nan 0.000 0.455 443 P HA -0.046 nan 4.420 nan 0.000 0.230 443 P C -0.290 176.999 177.300 -0.019 0.000 1.158 443 P CA 0.683 63.781 63.100 -0.003 0.000 0.769 443 P CB 0.208 31.904 31.700 -0.007 0.000 0.807 444 D N -0.468 119.919 120.400 -0.021 0.000 2.249 444 D HA 0.373 5.013 4.640 0.000 0.000 0.246 444 D C 1.346 177.620 176.300 -0.043 0.000 1.114 444 D CA -0.336 53.646 54.000 -0.030 0.000 0.854 444 D CB 1.210 41.995 40.800 -0.026 0.000 1.132 444 D HN -0.147 nan 8.370 nan 0.000 0.461 445 A N 4.780 127.571 122.820 -0.048 0.000 1.902 445 A HA -0.186 4.134 4.320 0.000 0.000 0.217 445 A C 2.100 179.643 177.584 -0.069 0.000 1.181 445 A CA 1.295 53.296 52.037 -0.060 0.000 0.623 445 A CB -0.373 18.593 19.000 -0.057 0.000 0.818 445 A HN 0.700 nan 8.150 nan 0.000 0.443 446 R N -0.449 120.012 120.500 -0.064 0.000 2.092 446 R HA -0.033 4.307 4.340 0.000 0.000 0.231 446 R C 1.895 178.144 176.300 -0.084 0.000 1.119 446 R CA 1.571 57.625 56.100 -0.076 0.000 0.970 446 R CB -0.308 29.952 30.300 -0.067 0.000 0.864 446 R HN 0.576 nan 8.270 nan 0.000 0.440 447 I N 0.485 121.015 120.570 -0.067 0.000 2.353 447 I HA -0.213 3.957 4.170 0.000 0.000 0.248 447 I C 2.334 178.407 176.117 -0.073 0.000 1.119 447 I CA 1.289 62.549 61.300 -0.066 0.000 1.417 447 I CB -0.207 37.767 38.000 -0.043 0.000 1.078 447 I HN 0.282 nan 8.210 nan 0.000 0.421 448 S N 0.161 115.818 115.700 -0.071 0.000 2.447 448 S HA -0.179 4.291 4.470 0.000 0.000 0.233 448 S C 1.665 176.211 174.600 -0.089 0.000 1.006 448 S CA 0.774 58.926 58.200 -0.081 0.000 0.957 448 S CB -0.304 62.839 63.200 -0.095 0.000 0.773 448 S HN 0.517 nan 8.310 nan 0.000 0.507 449 Q N 1.374 121.115 119.800 -0.098 0.000 2.246 449 Q HA 0.284 4.624 4.340 0.000 0.000 0.202 449 Q C 0.193 176.101 176.000 -0.153 0.000 0.883 449 Q CA 0.004 55.741 55.803 -0.110 0.000 0.952 449 Q CB 0.590 29.262 28.738 -0.109 0.000 1.078 449 Q HN 0.745 nan 8.270 nan 0.000 0.493 450 S N -1.104 114.504 115.700 -0.152 0.000 2.661 450 S HA 0.757 5.228 4.470 0.000 0.000 0.285 450 S C -0.591 173.912 174.600 -0.161 0.000 1.138 450 S CA -0.893 57.182 58.200 -0.209 0.000 0.855 450 S CB 1.918 64.990 63.200 -0.214 0.000 1.136 450 S HN 0.070 nan 8.310 nan 0.000 0.484 451 V N -1.453 118.345 119.914 -0.193 0.000 2.735 451 V HA 0.971 5.091 4.120 0.000 0.000 0.310 451 V C -0.001 176.032 176.094 -0.102 0.000 1.061 451 V CA -0.808 61.444 62.300 -0.080 0.000 0.913 451 V CB 0.885 32.734 31.823 0.043 0.000 1.005 451 V HN 1.490 nan 8.190 nan 0.000 0.428 452 A N 3.833 126.571 122.820 -0.136 0.000 2.327 452 A HA 0.825 5.145 4.320 0.000 0.000 0.283 452 A C -0.274 177.207 177.584 -0.172 0.000 1.127 452 A CA -0.492 51.357 52.037 -0.313 0.000 0.810 452 A CB 1.000 19.561 19.000 -0.733 0.000 1.066 452 A HN 1.616 nan 8.150 nan 0.000 0.492 453 V N 2.383 122.140 119.914 -0.261 0.000 2.525 453 V HA 0.473 4.593 4.120 0.000 0.000 0.299 453 V C -0.913 175.013 176.094 -0.280 0.000 1.034 453 V CA -0.342 61.781 62.300 -0.296 0.000 0.863 453 V CB 0.862 32.452 31.823 -0.388 0.000 0.999 453 V HN 0.736 nan 8.190 nan 0.000 0.423 454 F N 1.625 121.536 119.950 -0.064 0.000 2.450 454 F HA 0.571 5.098 4.527 0.000 0.000 0.328 454 F C 0.416 176.230 175.800 0.023 0.000 1.068 454 F CA -0.640 57.367 58.000 0.011 0.000 1.007 454 F CB 1.137 40.142 39.000 0.007 0.000 1.251 454 F HN 0.438 nan 8.300 nan 0.000 0.492 455 D N 1.512 122.049 120.400 0.228 0.000 2.427 455 D HA 0.269 4.909 4.640 0.000 0.000 0.226 455 D C 0.720 177.037 176.300 0.030 0.000 1.076 455 D CA -0.077 54.002 54.000 0.131 0.000 0.849 455 D CB 0.846 41.706 40.800 0.101 0.000 1.052 455 D HN 0.449 nan 8.370 nan 0.000 0.515 456 L N 2.952 124.131 121.223 -0.073 0.000 2.265 456 L HA -0.093 4.247 4.340 0.000 0.000 0.215 456 L C 1.918 178.726 176.870 -0.103 0.000 1.117 456 L CA 0.886 55.625 54.840 -0.169 0.000 0.782 456 L CB -0.109 41.789 42.059 -0.268 0.000 0.914 456 L HN 0.309 nan 8.230 nan 0.000 0.441 457 K N -0.358 120.000 120.400 -0.070 0.000 2.418 457 K HA -0.009 4.311 4.320 0.000 0.000 0.195 457 K C 0.323 176.904 176.600 -0.030 0.000 1.035 457 K CA 0.239 56.496 56.287 -0.049 0.000 1.003 457 K CB 0.100 32.575 32.500 -0.043 0.000 0.793 457 K HN 0.065 nan 8.250 nan 0.000 0.494 458 N N 0.628 119.320 118.700 -0.012 0.000 2.732 458 N HA 0.123 4.863 4.740 0.000 0.000 0.235 458 N C -0.133 175.402 175.510 0.042 0.000 1.466 458 N CA -0.071 52.985 53.050 0.010 0.000 0.751 458 N CB 0.272 38.770 38.487 0.018 0.000 1.317 458 N HN -0.072 nan 8.380 nan 0.000 0.525 459 L N -0.266 120.975 121.223 0.031 0.000 2.633 459 L HA 0.004 4.344 4.340 0.000 0.000 0.235 459 L C 0.792 177.738 176.870 0.125 0.000 1.163 459 L CA 0.688 55.578 54.840 0.083 0.000 0.859 459 L CB 0.085 42.172 42.059 0.047 0.000 0.973 459 L HN 0.350 nan 8.230 nan 0.000 0.451 460 D N 0.363 120.818 120.400 0.092 0.000 2.271 460 D HA 0.061 4.701 4.640 0.000 0.000 0.206 460 D C 1.177 177.528 176.300 0.085 0.000 0.967 460 D CA 0.412 54.465 54.000 0.089 0.000 0.867 460 D CB 0.241 41.077 40.800 0.059 0.000 0.960 460 D HN 0.235 nan 8.370 nan 0.000 0.509 461 A N 1.197 124.061 122.820 0.073 0.000 2.445 461 A HA 0.127 4.447 4.320 0.000 0.000 0.242 461 A C 0.586 178.192 177.584 0.037 0.000 1.075 461 A CA -0.183 51.875 52.037 0.036 0.000 0.777 461 A CB 0.432 19.443 19.000 0.018 0.000 1.013 461 A HN -0.019 nan 8.150 nan 0.000 0.493 462 K N 1.138 121.497 120.400 -0.068 0.000 2.295 462 K HA 0.290 4.610 4.320 0.000 0.000 0.270 462 K C -0.288 176.102 176.600 -0.350 0.000 1.011 462 K CA -0.313 55.843 56.287 -0.219 0.000 0.953 462 K CB 0.204 32.497 32.500 -0.345 0.000 0.956 462 K HN 0.669 nan 8.250 nan 0.000 0.477 463 Y N 0.548 120.614 120.300 -0.390 0.000 2.459 463 Y HA 0.063 4.613 4.550 0.000 0.000 0.349 463 Y C -0.227 175.467 175.900 -0.344 0.000 1.266 463 Y CA -0.492 57.231 58.100 -0.627 0.000 1.483 463 Y CB 0.219 37.975 38.460 -1.173 0.000 1.362 463 Y HN 0.434 nan 8.280 nan 0.000 0.628 464 Q N 1.234 120.979 119.800 -0.091 0.000 2.256 464 Q HA 0.560 4.901 4.340 0.000 0.000 0.257 464 Q C -1.295 174.711 176.000 0.010 0.000 0.936 464 Q CA -1.142 54.620 55.803 -0.068 0.000 0.903 464 Q CB 2.444 31.130 28.738 -0.087 0.000 1.263 464 Q HN 0.636 nan 8.270 nan 0.000 0.440 465 V N 3.949 123.864 119.914 0.002 0.000 2.364 465 V HA 0.164 4.284 4.120 0.000 0.000 0.272 465 V C -0.457 175.528 176.094 -0.182 0.000 1.036 465 V CA -0.562 61.708 62.300 -0.050 0.000 0.880 465 V CB 0.674 32.486 31.823 -0.019 0.000 0.991 465 V HN 0.545 nan 8.190 nan 0.000 0.460 466 L N 9.072 130.141 121.223 -0.256 0.000 2.265 466 L HA 0.434 4.774 4.340 0.000 0.000 0.288 466 L C -1.832 174.625 176.870 -0.688 0.000 1.058 466 L CA -1.812 52.736 54.840 -0.486 0.000 0.809 466 L CB 1.358 43.205 42.059 -0.352 0.000 1.179 466 L HN 0.433 nan 8.230 nan 0.000 0.429 467 P HA 0.112 nan 4.420 nan 0.000 0.231 467 P C 0.876 177.586 177.300 -0.984 0.000 1.811 467 P CA -0.273 62.304 63.100 -0.871 0.000 1.051 467 P CB 0.313 31.526 31.700 -0.812 0.000 1.951 468 I N 1.899 122.082 120.570 -0.645 0.000 2.163 468 I HA -0.216 3.954 4.170 0.000 0.000 0.243 468 I C 2.303 178.333 176.117 -0.145 0.000 1.085 468 I CA 1.625 62.712 61.300 -0.356 0.000 1.347 468 I CB -1.972 35.771 38.000 -0.427 0.000 1.044 468 I HN 0.176 nan 8.210 nan 0.000 0.408 469 A N 0.081 122.806 122.820 -0.159 0.000 2.014 469 A HA -0.183 4.137 4.320 0.000 0.000 0.218 469 A C 2.361 179.911 177.584 -0.056 0.000 1.163 469 A CA 1.295 53.286 52.037 -0.077 0.000 0.652 469 A CB -0.556 18.397 19.000 -0.078 0.000 0.808 469 A HN 0.537 nan 8.150 nan 0.000 0.449 470 E N -1.216 118.915 120.200 -0.115 0.000 2.107 470 E HA -0.188 4.163 4.350 0.000 0.000 0.191 470 E C 1.558 178.194 176.600 0.060 0.000 0.982 470 E CA 0.907 57.263 56.400 -0.073 0.000 0.809 470 E CB -0.190 29.415 29.700 -0.159 0.000 0.756 470 E HN 0.738 nan 8.360 nan 0.000 0.459 471 W N 0.679 121.924 121.300 -0.090 0.000 2.425 471 W HA 0.046 4.706 4.660 0.000 0.000 0.277 471 W C 2.331 178.799 176.519 -0.086 0.000 1.231 471 W CA 0.989 58.279 57.345 -0.093 0.000 1.248 471 W CB -0.820 28.569 29.460 -0.118 0.000 1.117 471 W HN 0.216 nan 8.180 nan 0.000 0.568 472 A N -0.084 122.823 122.820 0.144 0.000 1.933 472 A HA -0.173 4.147 4.320 0.000 0.000 0.218 472 A C 0.815 178.418 177.584 0.031 0.000 1.175 472 A CA 1.600 53.671 52.037 0.057 0.000 0.628 472 A CB -0.679 18.339 19.000 0.030 0.000 0.814 472 A HN 0.174 nan 8.150 nan 0.000 0.444 473 D N -2.085 118.335 120.400 0.033 0.000 2.848 473 D HA -0.121 4.519 4.640 0.000 0.000 0.245 473 D C 0.229 176.532 176.300 0.005 0.000 1.122 473 D CA 0.769 54.779 54.000 0.017 0.000 0.769 473 D CB -1.444 39.364 40.800 0.014 0.000 1.025 473 D HN 0.414 nan 8.370 nan 0.000 0.423 474 L N -0.041 121.183 121.223 0.002 0.000 2.575 474 L HA 0.449 4.789 4.340 0.000 0.000 0.228 474 L C 2.049 178.917 176.870 -0.003 0.000 1.075 474 L CA 0.379 55.219 54.840 0.000 0.000 0.867 474 L CB 0.019 42.080 42.059 0.002 0.000 1.097 474 L HN 0.563 nan 8.230 nan 0.000 0.485 475 G N 1.323 110.118 108.800 -0.008 0.000 2.513 475 G HA2 -0.216 3.744 3.960 0.000 0.000 0.227 475 G HA3 -0.216 3.744 3.960 0.000 0.000 0.227 475 G C -0.252 174.639 174.900 -0.015 0.000 1.176 475 G CA 0.002 45.096 45.100 -0.010 0.000 0.967 475 G HN 0.375 nan 8.290 nan 0.000 0.587 476 E N 0.723 120.914 120.200 -0.014 0.000 2.369 476 E HA 0.541 4.891 4.350 0.000 0.000 0.255 476 E C 0.483 177.069 176.600 -0.023 0.000 1.172 476 E CA -0.080 56.308 56.400 -0.019 0.000 0.932 476 E CB 1.281 30.971 29.700 -0.017 0.000 1.040 476 E HN 2.527 nan 8.360 nan 0.000 0.454 477 G N -0.590 108.190 108.800 -0.032 0.000 2.515 477 G HA2 0.095 4.055 3.960 0.000 0.000 0.686 477 G HA3 0.095 4.055 3.960 0.000 0.000 0.686 477 G C 0.333 175.196 174.900 -0.061 0.000 1.274 477 G CA -0.116 44.958 45.100 -0.044 0.000 0.874 477 G HN 0.784 nan 8.290 nan 0.000 0.631 478 A N 0.337 123.105 122.820 -0.087 0.000 1.940 478 A HA 0.206 4.527 4.320 0.000 0.000 0.219 478 A C 1.585 179.107 177.584 -0.104 0.000 1.176 478 A CA 2.413 54.384 52.037 -0.109 0.000 0.631 478 A CB -0.647 18.257 19.000 -0.159 0.000 0.814 478 A HN 1.832 nan 8.150 nan 0.000 0.446 479 K N -0.642 119.703 120.400 -0.092 0.000 3.419 479 K HA -0.176 4.144 4.320 0.000 0.000 0.272 479 K C -0.791 175.773 176.600 -0.060 0.000 0.973 479 K CA 0.598 56.851 56.287 -0.056 0.000 0.749 479 K CB -1.194 31.280 32.500 -0.044 0.000 1.403 479 K HN 0.636 nan 8.250 nan 0.000 0.456 480 R N 0.586 121.036 120.500 -0.084 0.000 2.347 480 R HA 0.213 4.553 4.340 0.000 0.000 0.304 480 R C 0.317 176.641 176.300 0.040 0.000 1.072 480 R CA -0.514 55.539 56.100 -0.079 0.000 0.980 480 R CB 0.893 31.068 30.300 -0.207 0.000 0.986 480 R HN -0.028 nan 8.270 nan 0.000 0.448 481 V N 4.519 124.443 119.914 0.017 0.000 2.498 481 V HA 0.290 4.410 4.120 0.000 0.000 0.279 481 V C 0.018 176.185 176.094 0.122 0.000 1.048 481 V CA -0.283 62.060 62.300 0.072 0.000 0.967 481 V CB 1.492 33.323 31.823 0.012 0.000 0.988 481 V HN 0.491 nan 8.190 nan 0.000 0.473 482 V N 5.353 125.365 119.914 0.164 0.000 2.971 482 V HA 0.539 4.659 4.120 0.000 0.000 0.309 482 V C -0.453 175.679 176.094 0.064 0.000 1.130 482 V CA -0.416 61.984 62.300 0.167 0.000 0.964 482 V CB 1.794 33.715 31.823 0.162 0.000 1.029 482 V HN 1.076 nan 8.190 nan 0.000 0.427 483 Q N 4.577 124.402 119.800 0.042 0.000 2.630 483 Q HA -0.106 4.235 4.340 0.000 0.000 0.210 483 Q C -2.560 173.264 176.000 -0.294 0.000 1.400 483 Q CA 0.255 55.844 55.803 -0.356 0.000 0.668 483 Q CB -0.072 28.093 28.738 -0.955 0.000 0.781 483 Q HN 0.586 nan 8.270 nan 0.000 0.311 484 P HA 0.196 nan 4.420 nan 0.000 0.275 484 P C -0.902 176.158 177.300 -0.399 0.000 1.227 484 P CA 0.262 62.999 63.100 -0.604 0.000 0.781 484 P CB 1.121 32.555 31.700 -0.443 0.000 0.906 485 E N 1.922 121.865 120.200 -0.427 0.000 2.287 485 E HA 0.323 4.673 4.350 0.000 0.000 0.274 485 E C -1.497 175.096 176.600 -0.012 0.000 0.896 485 E CA -0.554 55.776 56.400 -0.117 0.000 0.788 485 E CB 0.448 30.089 29.700 -0.098 0.000 1.244 485 E HN 0.181 nan 8.360 nan 0.000 0.408 486 Y N 2.504 122.820 120.300 0.026 0.000 2.298 486 Y HA 0.265 4.816 4.550 0.000 0.000 0.329 486 Y C 1.390 177.342 175.900 0.087 0.000 1.293 486 Y CA -0.105 58.039 58.100 0.074 0.000 1.388 486 Y CB 0.565 39.055 38.460 0.050 0.000 1.309 486 Y HN 0.626 nan 8.280 nan 0.000 0.544 487 N N 0.538 119.420 118.700 0.303 0.000 2.495 487 N HA 0.091 4.831 4.740 0.000 0.000 0.294 487 N C 0.810 176.376 175.510 0.093 0.000 1.276 487 N CA -0.535 52.632 53.050 0.195 0.000 0.973 487 N CB 0.412 39.099 38.487 0.332 0.000 1.143 487 N HN 0.606 nan 8.380 nan 0.000 0.589 488 K N 0.137 120.559 120.400 0.037 0.000 2.074 488 K HA -0.141 4.179 4.320 0.000 0.000 0.209 488 K C 1.492 178.092 176.600 0.000 0.000 1.048 488 K CA 1.406 57.700 56.287 0.011 0.000 0.926 488 K CB -0.050 32.400 32.500 -0.082 0.000 0.713 488 K HN 0.682 nan 8.250 nan 0.000 0.444 489 R N -0.813 119.686 120.500 -0.002 0.000 2.310 489 R HA 0.125 4.465 4.340 0.000 0.000 0.202 489 R C 0.990 177.237 176.300 -0.089 0.000 0.933 489 R CA 0.600 56.693 56.100 -0.012 0.000 1.054 489 R CB -0.086 30.217 30.300 0.006 0.000 0.985 489 R HN 0.244 nan 8.270 nan 0.000 0.489 490 G N 2.957 111.627 108.800 -0.217 0.000 2.283 490 G HA2 -0.292 3.668 3.960 0.000 0.000 0.280 490 G HA3 -0.292 3.668 3.960 0.000 0.000 0.280 490 G C -0.032 174.875 174.900 0.011 0.000 1.029 490 G CA 0.743 45.550 45.100 -0.488 0.000 0.840 490 G HN 0.708 nan 8.290 nan 0.000 0.505 491 D N -0.603 119.863 120.400 0.111 0.000 2.398 491 D HA 0.205 4.845 4.640 0.000 0.000 0.210 491 D C 0.701 177.102 176.300 0.169 0.000 1.094 491 D CA 0.587 54.678 54.000 0.151 0.000 0.839 491 D CB 0.141 41.002 40.800 0.102 0.000 0.963 491 D HN 0.814 nan 8.370 nan 0.000 0.506 492 E N -0.512 119.803 120.200 0.191 0.000 2.321 492 E HA 0.530 4.880 4.350 0.000 0.000 0.278 492 E C -1.440 175.211 176.600 0.085 0.000 0.902 492 E CA -1.165 55.319 56.400 0.141 0.000 0.758 492 E CB 2.185 31.992 29.700 0.180 0.000 1.213 492 E HN -0.157 nan 8.360 nan 0.000 0.426 493 V N 2.021 121.853 119.914 -0.137 0.000 2.459 493 V HA 0.414 4.534 4.120 0.000 0.000 0.295 493 V C -0.986 174.987 176.094 -0.203 0.000 1.029 493 V CA -0.698 61.335 62.300 -0.445 0.000 0.874 493 V CB 0.610 31.751 31.823 -1.135 0.000 0.985 493 V HN 0.638 nan 8.190 nan 0.000 0.438 494 W N 3.748 124.687 121.300 -0.601 0.000 2.512 494 W HA 0.810 5.470 4.660 0.001 0.000 0.335 494 W C -0.633 175.460 176.519 -0.709 0.000 1.088 494 W CA -0.949 56.117 57.345 -0.465 0.000 1.236 494 W CB 0.889 30.077 29.460 -0.452 0.000 1.307 494 W HN 0.332 nan 8.180 nan 0.000 0.567 495 F N 0.510 120.456 119.950 -0.007 0.000 2.603 495 F HA 0.551 5.079 4.527 0.000 0.000 0.317 495 F C 0.186 175.967 175.800 -0.030 0.000 1.066 495 F CA -1.304 56.674 58.000 -0.037 0.000 0.941 495 F CB 1.656 40.631 39.000 -0.042 0.000 1.291 495 F HN -0.050 nan 8.300 nan 0.000 0.472 496 S N 0.919 116.707 115.700 0.146 0.000 2.451 496 S HA 0.579 5.049 4.470 0.000 0.000 0.301 496 S C -0.777 173.895 174.600 0.119 0.000 1.116 496 S CA -0.666 57.581 58.200 0.079 0.000 1.093 496 S CB 1.522 64.710 63.200 -0.019 0.000 1.017 496 S HN 0.334 nan 8.310 nan 0.000 0.482 497 V N 4.468 124.446 119.914 0.107 0.000 2.247 497 V HA 0.168 4.288 4.120 0.000 0.000 0.262 497 V C -0.548 175.651 176.094 0.175 0.000 1.096 497 V CA -0.676 61.690 62.300 0.110 0.000 0.895 497 V CB -0.196 31.663 31.823 0.060 0.000 1.141 497 V HN 0.928 nan 8.190 nan 0.000 0.478 498 W N 5.796 127.081 121.300 -0.025 0.000 2.160 498 W HA 0.281 4.941 4.660 0.000 0.000 0.464 498 W C 0.201 176.706 176.519 -0.024 0.000 0.914 498 W CA -0.661 56.669 57.345 -0.025 0.000 1.742 498 W CB -0.512 28.925 29.460 -0.039 0.000 1.780 498 W HN 0.482 nan 8.180 nan 0.000 0.307 499 N N 1.915 120.717 118.700 0.170 0.000 2.478 499 N HA 0.561 5.302 4.740 0.000 0.000 0.275 499 N C 0.626 176.147 175.510 0.018 0.000 1.221 499 N CA 0.035 53.096 53.050 0.019 0.000 0.979 499 N CB 0.890 39.393 38.487 0.027 0.000 1.202 499 N HN 0.320 nan 8.380 nan 0.000 0.564 500 G N -0.007 108.776 108.800 -0.028 0.000 2.732 500 G HA2 -0.034 3.926 3.960 0.000 0.000 0.244 500 G HA3 -0.034 3.926 3.960 0.000 0.000 0.244 500 G C 0.783 175.718 174.900 0.058 0.000 1.226 500 G CA -0.032 45.066 45.100 -0.004 0.000 0.860 500 G HN 0.741 nan 8.290 nan 0.000 0.583 501 K N -0.625 119.818 120.400 0.072 0.000 2.155 501 K HA -0.025 4.295 4.320 0.000 0.000 0.203 501 K C 1.721 178.359 176.600 0.064 0.000 1.052 501 K CA 1.537 57.877 56.287 0.089 0.000 0.948 501 K CB -0.109 32.452 32.500 0.103 0.000 0.728 501 K HN 0.557 nan 8.250 nan 0.000 0.448 502 N N 0.613 119.340 118.700 0.046 0.000 2.280 502 N HA 0.019 4.759 4.740 0.000 0.000 0.192 502 N C -0.566 174.960 175.510 0.026 0.000 1.109 502 N CA -0.197 52.874 53.050 0.035 0.000 0.855 502 N CB 0.447 38.951 38.487 0.028 0.000 0.974 502 N HN 0.181 nan 8.380 nan 0.000 0.482 503 D N -0.484 119.932 120.400 0.027 0.000 2.567 503 D HA 0.174 4.815 4.640 0.000 0.000 0.275 503 D C -0.325 175.991 176.300 0.028 0.000 1.195 503 D CA -0.202 53.810 54.000 0.019 0.000 1.087 503 D CB 0.895 41.700 40.800 0.008 0.000 1.165 503 D HN -0.203 nan 8.370 nan 0.000 0.609 504 S N -0.710 115.003 115.700 0.022 0.000 2.454 504 S HA 0.534 5.004 4.470 0.000 0.000 0.306 504 S C -0.647 173.973 174.600 0.034 0.000 1.100 504 S CA -0.389 57.827 58.200 0.026 0.000 1.087 504 S CB 0.659 63.868 63.200 0.016 0.000 1.019 504 S HN 0.324 nan 8.310 nan 0.000 0.480 505 S N 1.970 117.697 115.700 0.044 0.000 2.715 505 S HA 1.023 5.493 4.470 0.000 0.000 0.307 505 S C -0.703 173.920 174.600 0.038 0.000 1.119 505 S CA -0.480 57.754 58.200 0.056 0.000 0.937 505 S CB 1.691 64.945 63.200 0.089 0.000 1.150 505 S HN 1.169 nan 8.310 nan 0.000 0.521 506 A N 0.532 123.376 122.820 0.039 0.000 2.566 506 A HA 0.702 5.022 4.320 0.000 0.000 0.290 506 A C -2.268 175.326 177.584 0.016 0.000 1.071 506 A CA -0.697 51.349 52.037 0.016 0.000 0.658 506 A CB 0.658 19.658 19.000 0.000 0.000 1.285 506 A HN 0.616 nan 8.150 nan 0.000 0.427 507 L N 0.878 122.089 121.223 -0.019 0.000 2.333 507 L HA 0.639 4.980 4.340 0.000 0.000 0.280 507 L C -0.994 175.805 176.870 -0.118 0.000 1.004 507 L CA -1.036 53.785 54.840 -0.031 0.000 0.820 507 L CB 1.817 43.864 42.059 -0.019 0.000 1.247 507 L HN 0.446 nan 8.230 nan 0.000 0.416 508 V N 4.076 123.955 119.914 -0.058 0.000 2.384 508 V HA 0.365 4.485 4.120 0.000 0.000 0.287 508 V C 0.042 176.051 176.094 -0.141 0.000 1.020 508 V CA -0.666 61.581 62.300 -0.088 0.000 0.850 508 V CB 2.063 33.906 31.823 0.033 0.000 0.987 508 V HN 0.423 nan 8.190 nan 0.000 0.436 509 V N 5.866 125.536 119.914 -0.406 0.000 2.407 509 V HA 0.488 4.608 4.120 0.000 0.000 0.278 509 V C -0.023 175.920 176.094 -0.252 0.000 1.037 509 V CA -0.506 61.458 62.300 -0.560 0.000 0.900 509 V CB 1.625 32.861 31.823 -0.979 0.000 0.983 509 V HN 0.598 nan 8.190 nan 0.000 0.459 510 V N 3.312 123.178 119.914 -0.080 0.000 2.555 510 V HA 0.345 4.465 4.120 0.000 0.000 0.302 510 V C 0.003 176.095 176.094 -0.004 0.000 1.038 510 V CA -0.707 61.586 62.300 -0.012 0.000 0.887 510 V CB 1.991 33.927 31.823 0.188 0.000 0.991 510 V HN 0.890 nan 8.190 nan 0.000 0.434 511 D N 2.911 123.298 120.400 -0.022 0.000 2.346 511 D HA -0.020 4.620 4.640 0.000 0.000 0.260 511 D C 0.822 177.189 176.300 0.111 0.000 1.252 511 D CA 0.257 54.272 54.000 0.026 0.000 0.895 511 D CB 1.301 42.096 40.800 -0.007 0.000 1.097 511 D HN 0.747 nan 8.370 nan 0.000 0.489 512 D N 3.355 123.856 120.400 0.168 0.000 2.144 512 D HA -0.194 4.446 4.640 0.000 0.000 0.199 512 D C 1.670 178.184 176.300 0.355 0.000 0.984 512 D CA 1.058 55.245 54.000 0.313 0.000 0.834 512 D CB 0.296 41.324 40.800 0.380 0.000 0.955 512 D HN 0.253 nan 8.370 nan 0.000 0.465 513 K N -0.401 120.139 120.400 0.234 0.000 2.057 513 K HA -0.089 4.231 4.320 0.000 0.000 0.206 513 K C 1.795 178.513 176.600 0.197 0.000 1.050 513 K CA 1.837 58.245 56.287 0.202 0.000 0.935 513 K CB -0.411 32.163 32.500 0.123 0.000 0.715 513 K HN 0.400 nan 8.250 nan 0.000 0.439 514 T N -2.207 112.429 114.554 0.136 0.000 3.001 514 T HA 0.202 4.552 4.350 0.000 0.000 0.251 514 T C 1.087 175.829 174.700 0.070 0.000 1.040 514 T CA 0.079 62.234 62.100 0.091 0.000 0.985 514 T CB -0.021 68.871 68.868 0.040 0.000 1.011 514 T HN 0.295 nan 8.240 nan 0.000 0.509 515 L N -0.308 120.959 121.223 0.073 0.000 4.040 515 L HA -0.178 4.162 4.340 0.000 0.000 0.410 515 L C -0.010 176.909 176.870 0.082 0.000 1.187 515 L CA 0.553 55.430 54.840 0.062 0.000 0.956 515 L CB -1.693 40.352 42.059 -0.024 0.000 2.022 515 L HN 0.371 nan 8.230 nan 0.000 0.897 516 K N 0.312 120.702 120.400 -0.017 0.000 2.156 516 K HA 0.576 4.896 4.320 0.000 0.000 0.250 516 K C -0.156 176.216 176.600 -0.379 0.000 0.955 516 K CA -1.117 55.067 56.287 -0.173 0.000 0.855 516 K CB 2.091 34.509 32.500 -0.136 0.000 1.101 516 K HN 0.002 nan 8.250 nan 0.000 0.434 517 L N 2.624 123.373 121.223 -0.790 0.000 2.499 517 L HA 0.006 4.346 4.340 0.000 0.000 0.273 517 L C 0.877 177.478 176.870 -0.449 0.000 1.195 517 L CA 1.103 55.430 54.840 -0.855 0.000 0.882 517 L CB 0.405 41.725 42.059 -1.232 0.000 1.133 517 L HN 0.711 nan 8.230 nan 0.000 0.483 518 K N 3.739 123.937 120.400 -0.338 0.000 2.367 518 K HA 0.548 4.868 4.320 0.000 0.000 0.198 518 K C -0.105 176.347 176.600 -0.246 0.000 1.132 518 K CA 0.507 56.647 56.287 -0.245 0.000 0.941 518 K CB 0.508 32.894 32.500 -0.190 0.000 1.052 518 K HN 0.778 nan 8.250 nan 0.000 0.507 519 A N 0.033 122.678 122.820 -0.292 0.000 2.601 519 A HA 0.557 4.877 4.320 0.000 0.000 0.291 519 A C -1.798 175.618 177.584 -0.281 0.000 1.075 519 A CA -0.677 51.195 52.037 -0.275 0.000 0.671 519 A CB 1.917 20.741 19.000 -0.294 0.000 1.277 519 A HN -0.088 nan 8.150 nan 0.000 0.417 520 V N 1.020 120.801 119.914 -0.222 0.000 2.488 520 V HA 0.415 4.535 4.120 0.000 0.000 0.293 520 V C -0.645 175.358 176.094 -0.152 0.000 1.027 520 V CA -0.559 61.635 62.300 -0.177 0.000 0.862 520 V CB 1.540 33.295 31.823 -0.113 0.000 1.008 520 V HN 0.779 nan 8.190 nan 0.000 0.428 521 V N 5.760 125.574 119.914 -0.166 0.000 2.385 521 V HA 0.441 4.561 4.120 0.000 0.000 0.269 521 V C 0.199 176.262 176.094 -0.051 0.000 1.043 521 V CA -0.359 61.876 62.300 -0.108 0.000 0.906 521 V CB 0.823 32.581 31.823 -0.108 0.000 0.995 521 V HN 0.798 nan 8.190 nan 0.000 0.467 522 K N 3.693 124.074 120.400 -0.032 0.000 2.375 522 K HA 0.697 5.017 4.320 0.000 0.000 0.249 522 K C -1.291 175.309 176.600 0.000 0.000 0.942 522 K CA -0.863 55.417 56.287 -0.011 0.000 0.806 522 K CB 2.626 35.118 32.500 -0.013 0.000 1.227 522 K HN 0.676 nan 8.250 nan 0.000 0.430 523 D N 1.601 122.008 120.400 0.011 0.000 2.747 523 D HA 0.062 4.702 4.640 0.000 0.000 0.218 523 D C -2.179 174.135 176.300 0.023 0.000 1.230 523 D CA -1.128 52.883 54.000 0.018 0.000 0.774 523 D CB 2.025 42.839 40.800 0.024 0.000 1.667 523 D HN 0.193 nan 8.370 nan 0.000 0.499 524 P HA -0.085 nan 4.420 nan 0.000 0.218 524 P C 0.970 178.290 177.300 0.033 0.000 1.148 524 P CA 0.798 63.914 63.100 0.026 0.000 0.822 524 P CB 0.453 32.168 31.700 0.024 0.000 0.784 525 R N -0.859 119.662 120.500 0.034 0.000 2.236 525 R HA 0.085 4.425 4.340 0.000 0.000 0.208 525 R C 1.140 177.465 176.300 0.041 0.000 1.036 525 R CA -0.091 56.032 56.100 0.039 0.000 1.001 525 R CB -0.580 29.743 30.300 0.038 0.000 0.896 525 R HN 0.128 nan 8.270 nan 0.000 0.464 526 L N 2.250 123.497 121.223 0.039 0.000 2.376 526 L HA 0.171 4.511 4.340 0.000 0.000 0.250 526 L C -0.530 176.370 176.870 0.050 0.000 1.335 526 L CA 0.443 55.308 54.840 0.041 0.000 1.214 526 L CB -0.179 41.902 42.059 0.037 0.000 1.395 526 L HN 0.021 nan 8.230 nan 0.000 0.424 527 I N 2.724 123.326 120.570 0.054 0.000 2.365 527 I HA 0.136 4.306 4.170 0.000 0.000 0.291 527 I C 0.870 177.038 176.117 0.085 0.000 1.004 527 I CA -0.415 60.928 61.300 0.072 0.000 1.311 527 I CB 1.126 39.170 38.000 0.073 0.000 1.401 527 I HN 0.645 nan 8.210 nan 0.000 0.491 528 T N 3.800 118.438 114.554 0.140 0.000 3.473 528 T HA -0.105 4.246 4.350 0.000 0.000 0.403 528 T C -2.183 172.549 174.700 0.053 0.000 0.768 528 T CA -0.719 61.519 62.100 0.230 0.000 2.009 528 T CB -1.981 67.063 68.868 0.294 0.000 1.715 528 T HN 0.414 nan 8.240 nan 0.000 0.666 529 P HA 0.194 nan 4.420 nan 0.000 0.271 529 P C 1.001 178.145 177.300 -0.261 0.000 1.226 529 P CA 0.092 63.143 63.100 -0.081 0.000 0.765 529 P CB 1.452 33.146 31.700 -0.010 0.000 0.835 530 T N 1.110 115.441 114.554 -0.372 0.000 2.995 530 T HA 0.352 4.702 4.350 0.000 0.000 0.170 530 T C 1.039 175.504 174.700 -0.392 0.000 0.844 530 T CA 0.115 61.880 62.100 -0.558 0.000 1.137 530 T CB -0.836 67.557 68.868 -0.791 0.000 2.193 530 T HN 0.347 nan 8.240 nan 0.000 0.384 531 G N 1.668 110.250 108.800 -0.363 0.000 2.483 531 G HA2 0.526 4.486 3.960 0.000 0.000 0.248 531 G HA3 0.526 4.486 3.960 0.000 0.000 0.248 531 G C -1.048 173.587 174.900 -0.441 0.000 1.248 531 G CA -0.520 44.316 45.100 -0.440 0.000 0.838 531 G HN 0.616 nan 8.290 nan 0.000 0.566 532 K N 0.535 120.488 120.400 -0.746 0.000 2.482 532 K HA 0.437 4.757 4.320 0.000 0.000 0.251 532 K C -1.674 174.459 176.600 -0.778 0.000 0.936 532 K CA -0.457 55.572 56.287 -0.431 0.000 0.791 532 K CB 2.317 34.717 32.500 -0.167 0.000 1.213 532 K HN 0.367 nan 8.250 nan 0.000 0.428 533 F N 1.610 121.540 119.950 -0.032 0.000 2.553 533 F HA 0.252 4.779 4.527 0.001 0.000 0.335 533 F C 0.292 175.922 175.800 -0.284 0.000 1.148 533 F CA -0.960 56.971 58.000 -0.116 0.000 0.963 533 F CB 1.394 40.342 39.000 -0.085 0.000 1.217 533 F HN 0.432 nan 8.300 nan 0.000 0.441 534 N N 2.670 121.138 118.700 -0.386 0.000 2.475 534 N HA 0.063 4.804 4.740 0.000 0.000 0.267 534 N C 1.051 176.411 175.510 -0.252 0.000 1.169 534 N CA 0.040 52.628 53.050 -0.770 0.000 0.947 534 N CB 1.464 39.410 38.487 -0.901 0.000 1.061 534 N HN 0.486 nan 8.380 nan 0.000 0.466 535 V N 4.792 124.589 119.914 -0.195 0.000 2.278 535 V HA -0.294 3.826 4.120 0.000 0.000 0.251 535 V C 1.783 177.908 176.094 0.051 0.000 1.062 535 V CA 1.833 64.112 62.300 -0.034 0.000 1.038 535 V CB -1.062 30.760 31.823 -0.001 0.000 0.646 535 V HN 0.741 nan 8.190 nan 0.000 0.447 536 Y N 1.728 122.020 120.300 -0.013 0.000 2.133 536 Y HA -0.206 4.344 4.550 0.000 0.000 0.287 536 Y C 2.559 178.564 175.900 0.175 0.000 1.134 536 Y CA 2.121 60.293 58.100 0.120 0.000 1.133 536 Y CB -0.357 38.154 38.460 0.083 0.000 0.987 536 Y HN 0.300 nan 8.280 nan 0.000 0.502 537 N N -0.728 118.098 118.700 0.209 0.000 2.223 537 N HA -0.148 4.592 4.740 0.000 0.000 0.185 537 N C 1.714 177.324 175.510 0.167 0.000 1.016 537 N CA 1.866 55.033 53.050 0.195 0.000 0.863 537 N CB -0.764 37.861 38.487 0.230 0.000 0.983 537 N HN 0.383 nan 8.380 nan 0.000 0.429 538 T N 0.774 115.401 114.554 0.122 0.000 2.732 538 T HA -0.131 4.219 4.350 0.000 0.000 0.261 538 T C 1.832 176.572 174.700 0.067 0.000 1.040 538 T CA 0.950 63.133 62.100 0.139 0.000 1.145 538 T CB -0.183 68.748 68.868 0.105 0.000 0.866 538 T HN 0.329 nan 8.240 nan 0.000 0.427 539 Q N 0.167 119.945 119.800 -0.037 0.000 2.135 539 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 539 Q C 1.355 177.186 176.000 -0.282 0.000 0.981 539 Q CA 1.379 57.079 55.803 -0.173 0.000 0.856 539 Q CB -0.043 28.535 28.738 -0.267 0.000 0.902 539 Q HN 0.631 nan 8.270 nan 0.000 0.425 540 H N -0.017 118.979 119.070 -0.124 0.000 2.549 540 H HA 0.116 4.672 4.556 0.000 0.000 0.279 540 H C -0.574 174.786 175.328 0.053 0.000 1.018 540 H CA 0.471 56.455 56.048 -0.106 0.000 1.175 540 H CB 0.393 29.919 29.762 -0.393 0.000 1.485 540 H HN 0.397 nan 8.280 nan 0.000 0.543 541 D N 0.600 121.112 120.400 0.188 0.000 2.697 541 D HA -0.147 4.493 4.640 0.000 0.000 0.238 541 D C -0.598 175.639 176.300 -0.105 0.000 1.152 541 D CA 0.201 54.301 54.000 0.167 0.000 0.666 541 D CB -1.065 39.784 40.800 0.081 0.000 1.037 541 D HN 0.081 nan 8.370 nan 0.000 0.423 542 V N 1.704 121.661 119.914 0.070 0.000 2.339 542 V HA 0.467 4.587 4.120 0.000 0.000 0.261 542 V C 0.060 176.232 176.094 0.130 0.000 1.058 542 V CA 0.099 62.400 62.300 0.002 0.000 0.897 542 V CB -0.738 31.116 31.823 0.051 0.000 1.052 542 V HN 0.375 nan 8.190 nan 0.000 0.480 543 Y N 0.000 120.404 120.300 0.173 0.000 2.660 543 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 543 Y CA 0.000 58.216 58.100 0.194 0.000 1.940 543 Y CB 0.000 38.606 38.460 0.244 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758