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 2q0c_1_B DATA FIRST_RESID 3 DATA SEQUENCE PSPAVVGRSL VNSFKQFVSK DLHTRHVDAT YRLVLDCVAA VDXXMRLYTF DATA SEQUENCE GSTVVYGVHE KGSDVDFVVL NKXXXXXXXX XXXXXXVAKG LQADILAKLA DATA SEQUENCE RVIRQKHLSW NVEEVRXXXX PVVRVKGGGA VDFDITAYRR NGVRNSALLR DATA SEQUENCE AYFEQNPPCR WLSMSIKRWS KQTGLNASVI GGSITSYGFN LMVVYYLLQR DATA SEQUENCE NHLQFVPPST IDVSRVEPLP PHLPLEEPAD EGLELGTQVL DFLHFFLHEF DATA SEQUENCE DSDKQVISLN RPGITTKEEL DWTKSAEDFA RMNGEKVHYQ WCIEDPYELN DATA SEQUENCE LNVGRNVTPL KRDFLRRHLE KARDTALLTI V 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.310 177.300 0.017 0.000 1.155 3 P CA 0.000 63.111 63.100 0.018 0.000 0.800 3 P CB 0.000 31.716 31.700 0.027 0.000 0.726 4 S N 2.026 117.733 115.700 0.011 0.000 2.586 4 S HA 0.489 4.959 4.470 -0.000 0.000 0.274 4 S C -1.265 173.339 174.600 0.007 0.000 1.281 4 S CA -1.096 57.110 58.200 0.009 0.000 1.035 4 S CB 1.186 64.389 63.200 0.005 0.000 0.962 4 S HN -0.027 nan 8.310 nan 0.000 0.512 5 P HA -0.103 nan 4.420 nan 0.000 0.215 5 P C 1.253 178.551 177.300 -0.003 0.000 1.157 5 P CA 1.921 65.025 63.100 0.007 0.000 0.874 5 P CB -0.037 31.671 31.700 0.012 0.000 0.790 6 A N -1.003 121.815 122.820 -0.005 0.000 1.930 6 A HA -0.110 4.209 4.320 -0.000 0.000 0.217 6 A C 2.324 179.899 177.584 -0.015 0.000 1.175 6 A CA 1.493 53.523 52.037 -0.012 0.000 0.627 6 A CB -1.549 17.445 19.000 -0.010 0.000 0.815 6 A HN 0.042 nan 8.150 nan 0.000 0.443 7 V N -0.602 119.306 119.914 -0.010 0.000 2.453 7 V HA -0.174 3.945 4.120 -0.000 0.000 0.247 7 V C 2.540 178.625 176.094 -0.015 0.000 1.048 7 V CA 1.784 64.077 62.300 -0.011 0.000 1.049 7 V CB -0.402 31.418 31.823 -0.006 0.000 0.672 7 V HN 0.364 nan 8.190 nan 0.000 0.457 8 V N 0.779 120.686 119.914 -0.013 0.000 2.307 8 V HA -0.125 3.994 4.120 -0.000 0.000 0.245 8 V C 2.625 178.703 176.094 -0.026 0.000 1.045 8 V CA 2.141 64.430 62.300 -0.018 0.000 1.024 8 V CB -1.218 30.597 31.823 -0.014 0.000 0.651 8 V HN 0.597 nan 8.190 nan 0.000 0.449 9 G N -0.630 108.153 108.800 -0.028 0.000 2.422 9 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 9 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 9 G C 1.716 176.586 174.900 -0.049 0.000 1.146 9 G CA 0.864 45.939 45.100 -0.041 0.000 0.769 9 G HN 0.400 nan 8.290 nan 0.000 0.547 10 R N 0.258 120.734 120.500 -0.040 0.000 2.083 10 R HA -0.101 4.238 4.340 -0.000 0.000 0.237 10 R C 2.797 179.075 176.300 -0.038 0.000 1.137 10 R CA 1.823 57.899 56.100 -0.039 0.000 0.951 10 R CB -0.453 29.829 30.300 -0.030 0.000 0.851 10 R HN 0.390 nan 8.270 nan 0.000 0.434 11 S N 0.226 115.906 115.700 -0.033 0.000 2.356 11 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 11 S C 2.024 176.598 174.600 -0.044 0.000 1.032 11 S CA 1.050 59.228 58.200 -0.037 0.000 1.005 11 S CB -0.204 62.977 63.200 -0.033 0.000 0.867 11 S HN 0.350 nan 8.310 nan 0.000 0.449 12 L N 1.001 122.205 121.223 -0.032 0.000 2.012 12 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 12 L C 2.569 179.471 176.870 0.053 0.000 1.073 12 L CA 1.207 56.047 54.840 -0.000 0.000 0.748 12 L CB -0.673 41.404 42.059 0.029 0.000 0.891 12 L HN 0.234 nan 8.230 nan 0.000 0.431 13 V N 0.095 120.000 119.914 -0.015 0.000 2.287 13 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 13 V C 2.256 178.350 176.094 0.001 0.000 1.053 13 V CA 1.963 64.234 62.300 -0.050 0.000 1.027 13 V CB -0.676 31.076 31.823 -0.119 0.000 0.646 13 V HN 0.515 nan 8.190 nan 0.000 0.447 14 N N 0.676 119.362 118.700 -0.022 0.000 2.205 14 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 14 N C 2.007 177.497 175.510 -0.034 0.000 1.015 14 N CA 1.843 54.880 53.050 -0.023 0.000 0.862 14 N CB -0.232 38.236 38.487 -0.032 0.000 0.986 14 N HN 0.666 nan 8.380 nan 0.000 0.429 15 S N -0.757 114.891 115.700 -0.087 0.000 2.561 15 S HA 0.043 4.513 4.470 -0.000 0.000 0.225 15 S C 1.108 175.530 174.600 -0.296 0.000 0.977 15 S CA 0.244 58.319 58.200 -0.209 0.000 0.926 15 S CB -0.417 62.597 63.200 -0.309 0.000 0.769 15 S HN 0.216 nan 8.310 nan 0.000 0.533 16 F N 0.977 120.920 119.950 -0.011 0.000 2.684 16 F HA 0.470 4.997 4.527 -0.000 0.000 0.298 16 F C 1.864 177.738 175.800 0.123 0.000 1.120 16 F CA -0.678 57.363 58.000 0.069 0.000 1.332 16 F CB 0.499 39.533 39.000 0.056 0.000 0.986 16 F HN -0.001 nan 8.300 nan 0.000 0.524 17 K N 0.225 120.734 120.400 0.181 0.000 2.062 17 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 17 K C 2.018 178.695 176.600 0.129 0.000 1.051 17 K CA 1.000 57.363 56.287 0.126 0.000 0.941 17 K CB -0.236 32.297 32.500 0.056 0.000 0.719 17 K HN 0.287 nan 8.250 nan 0.000 0.440 18 Q N -0.038 119.838 119.800 0.127 0.000 2.224 18 Q HA -0.077 4.263 4.340 -0.000 0.000 0.203 18 Q C 1.760 177.862 176.000 0.170 0.000 0.970 18 Q CA 1.130 57.000 55.803 0.112 0.000 0.865 18 Q CB -0.204 28.583 28.738 0.083 0.000 0.922 18 Q HN 0.254 nan 8.270 nan 0.000 0.445 19 F N -1.287 118.737 119.950 0.124 0.000 2.179 19 F HA -0.012 4.514 4.527 -0.001 0.000 0.292 19 F C 1.885 177.772 175.800 0.146 0.000 1.089 19 F CA 0.919 59.018 58.000 0.164 0.000 1.295 19 F CB -0.217 38.986 39.000 0.338 0.000 1.041 19 F HN -0.008 nan 8.300 nan 0.000 0.487 20 V N -0.322 119.743 119.914 0.251 0.000 2.759 20 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 20 V C 2.503 178.606 176.094 0.015 0.000 1.080 20 V CA 1.945 64.321 62.300 0.128 0.000 1.101 20 V CB -0.541 31.390 31.823 0.180 0.000 0.698 20 V HN 0.587 nan 8.190 nan 0.000 0.477 21 S N -0.228 115.482 115.700 0.018 0.000 2.368 21 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 21 S C 1.257 175.827 174.600 -0.049 0.000 1.030 21 S CA 0.769 58.966 58.200 -0.005 0.000 0.999 21 S CB -0.201 63.006 63.200 0.012 0.000 0.844 21 S HN 0.492 nan 8.310 nan 0.000 0.459 22 K N 2.394 122.731 120.400 -0.106 0.000 2.276 22 K HA 0.246 4.566 4.320 -0.000 0.000 0.259 22 K C -0.423 176.090 176.600 -0.146 0.000 1.001 22 K CA 0.032 56.236 56.287 -0.138 0.000 0.927 22 K CB 0.318 32.700 32.500 -0.196 0.000 0.969 22 K HN 0.475 nan 8.250 nan 0.000 0.490 23 D N 1.478 121.818 120.400 -0.101 0.000 2.348 23 D HA 0.070 4.710 4.640 -0.000 0.000 0.253 23 D C 0.027 176.272 176.300 -0.092 0.000 1.161 23 D CA -0.188 53.772 54.000 -0.066 0.000 0.876 23 D CB 0.460 41.246 40.800 -0.023 0.000 1.160 23 D HN 0.134 nan 8.370 nan 0.000 0.459 24 L N 3.145 124.323 121.223 -0.075 0.000 2.693 24 L HA 0.139 4.479 4.340 -0.000 0.000 0.235 24 L C 0.721 177.565 176.870 -0.043 0.000 1.127 24 L CA -0.038 54.763 54.840 -0.065 0.000 0.914 24 L CB -1.506 40.512 42.059 -0.069 0.000 1.193 24 L HN 0.665 nan 8.230 nan 0.000 0.502 25 H N 0.901 119.804 119.070 -0.278 0.000 2.929 25 H HA -0.015 4.540 4.556 -0.000 0.000 0.358 25 H C 0.790 176.016 175.328 -0.171 0.000 1.111 25 H CA 1.308 57.011 56.048 -0.575 0.000 1.409 25 H CB 1.129 30.647 29.762 -0.407 0.000 1.373 25 H HN 0.150 nan 8.280 nan 0.000 0.610 26 T N 0.953 115.533 114.554 0.043 0.000 3.206 26 T HA 0.161 4.510 4.350 -0.000 0.000 0.253 26 T C 1.655 176.441 174.700 0.143 0.000 1.042 26 T CA -0.343 61.838 62.100 0.135 0.000 0.931 26 T CB 0.175 69.111 68.868 0.112 0.000 1.029 26 T HN 0.488 nan 8.240 nan 0.000 0.564 27 R N 0.469 121.083 120.500 0.189 0.000 2.091 27 R HA -0.101 4.238 4.340 -0.000 0.000 0.238 27 R C 1.939 178.229 176.300 -0.017 0.000 1.136 27 R CA 1.766 57.894 56.100 0.046 0.000 0.959 27 R CB -0.410 29.839 30.300 -0.086 0.000 0.856 27 R HN 0.534 nan 8.270 nan 0.000 0.437 28 H N -0.640 118.422 119.070 -0.012 0.000 2.428 28 H HA -0.027 4.529 4.556 -0.001 0.000 0.296 28 H C 1.950 177.240 175.328 -0.063 0.000 1.062 28 H CA 1.180 57.209 56.048 -0.032 0.000 1.350 28 H CB 0.166 29.914 29.762 -0.025 0.000 1.403 28 H HN -0.064 nan 8.280 nan 0.000 0.533 29 V N 0.542 120.449 119.914 -0.013 0.000 2.548 29 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 29 V C 1.510 177.656 176.094 0.087 0.000 1.055 29 V CA 1.675 63.947 62.300 -0.047 0.000 1.065 29 V CB -0.180 31.536 31.823 -0.178 0.000 0.681 29 V HN 0.447 nan 8.190 nan 0.000 0.462 30 D N 0.999 121.435 120.400 0.061 0.000 2.097 30 D HA -0.075 4.564 4.640 -0.000 0.000 0.197 30 D C 2.262 178.630 176.300 0.114 0.000 0.984 30 D CA 1.620 55.674 54.000 0.091 0.000 0.826 30 D CB -0.431 40.394 40.800 0.041 0.000 0.973 30 D HN 0.412 nan 8.370 nan 0.000 0.460 31 A N 0.352 123.197 122.820 0.041 0.000 1.972 31 A HA -0.154 4.165 4.320 -0.000 0.000 0.219 31 A C 2.295 179.904 177.584 0.042 0.000 1.169 31 A CA 1.964 54.012 52.037 0.018 0.000 0.635 31 A CB -0.861 18.105 19.000 -0.056 0.000 0.810 31 A HN 0.227 nan 8.150 nan 0.000 0.446 32 T N -1.775 112.816 114.554 0.060 0.000 2.821 32 T HA -0.124 4.225 4.350 -0.000 0.000 0.267 32 T C 1.754 176.398 174.700 -0.094 0.000 1.046 32 T CA 1.493 63.604 62.100 0.017 0.000 1.139 32 T CB -0.375 68.529 68.868 0.060 0.000 0.871 32 T HN 0.611 nan 8.240 nan 0.000 0.454 33 Y N 2.056 122.311 120.300 -0.075 0.000 2.200 33 Y HA -0.100 4.449 4.550 -0.000 0.000 0.290 33 Y C 2.450 178.238 175.900 -0.186 0.000 1.137 33 Y CA 1.235 59.246 58.100 -0.147 0.000 1.163 33 Y CB -0.086 38.437 38.460 0.104 0.000 0.988 33 Y HN -0.044 nan 8.280 nan 0.000 0.518 34 R N -0.229 120.218 120.500 -0.087 0.000 2.073 34 R HA -0.152 4.187 4.340 -0.000 0.000 0.234 34 R C 2.059 178.240 176.300 -0.197 0.000 1.134 34 R CA 1.604 57.612 56.100 -0.152 0.000 0.952 34 R CB -0.874 29.421 30.300 -0.009 0.000 0.850 34 R HN 0.279 nan 8.270 nan 0.000 0.433 35 L N -0.082 121.066 121.223 -0.125 0.000 2.089 35 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 35 L C 2.051 178.815 176.870 -0.177 0.000 1.079 35 L CA 1.595 56.386 54.840 -0.082 0.000 0.758 35 L CB -0.520 41.534 42.059 -0.008 0.000 0.891 35 L HN 0.047 nan 8.230 nan 0.000 0.433 36 V N -1.626 118.062 119.914 -0.376 0.000 2.788 36 V HA -0.122 3.998 4.120 -0.000 0.000 0.251 36 V C 2.123 177.967 176.094 -0.416 0.000 1.068 36 V CA 0.676 62.699 62.300 -0.461 0.000 1.090 36 V CB -0.180 31.096 31.823 -0.911 0.000 0.710 36 V HN 0.302 nan 8.190 nan 0.000 0.467 37 L N 0.295 121.225 121.223 -0.488 0.000 2.217 37 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 37 L C 1.858 178.596 176.870 -0.219 0.000 1.107 37 L CA 1.749 56.350 54.840 -0.398 0.000 0.783 37 L CB -0.575 41.188 42.059 -0.492 0.000 0.919 37 L HN 0.260 nan 8.230 nan 0.000 0.442 38 D N -1.486 118.810 120.400 -0.172 0.000 2.224 38 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 38 D C 2.211 178.459 176.300 -0.086 0.000 0.965 38 D CA 1.218 55.156 54.000 -0.104 0.000 0.852 38 D CB -0.250 40.508 40.800 -0.070 0.000 0.947 38 D HN 0.401 nan 8.370 nan 0.000 0.494 39 C N -0.197 119.048 119.300 -0.092 0.000 2.485 39 C HA 0.061 4.521 4.460 -0.000 0.000 0.277 39 C C 2.755 177.707 174.990 -0.063 0.000 1.376 39 C CA -0.098 58.882 59.018 -0.063 0.000 1.759 39 C CB -0.469 27.246 27.740 -0.041 0.000 1.970 39 C HN 0.152 nan 8.230 nan 0.000 0.509 40 V N 1.369 121.229 119.914 -0.090 0.000 2.535 40 V HA -0.039 4.081 4.120 -0.000 0.000 0.246 40 V C 2.723 178.780 176.094 -0.060 0.000 1.045 40 V CA 1.753 64.007 62.300 -0.076 0.000 1.058 40 V CB -1.160 30.603 31.823 -0.101 0.000 0.689 40 V HN 0.508 nan 8.190 nan 0.000 0.461 41 A N 0.390 123.168 122.820 -0.070 0.000 2.032 41 A HA -0.183 4.136 4.320 -0.000 0.000 0.221 41 A C 2.357 179.919 177.584 -0.038 0.000 1.165 41 A CA 2.228 54.233 52.037 -0.053 0.000 0.645 41 A CB -0.562 18.402 19.000 -0.059 0.000 0.807 41 A HN 0.570 nan 8.150 nan 0.000 0.453 42 A N -0.667 122.129 122.820 -0.040 0.000 1.898 42 A HA 0.118 4.437 4.320 -0.000 0.000 0.214 42 A C 1.745 179.317 177.584 -0.020 0.000 1.183 42 A CA 1.446 53.465 52.037 -0.030 0.000 0.622 42 A CB -0.559 18.420 19.000 -0.035 0.000 0.824 42 A HN 0.594 nan 8.150 nan 0.000 0.444 43 V N 0.311 120.213 119.914 -0.019 0.000 3.563 43 V HA 0.182 4.302 4.120 -0.000 0.000 0.299 43 V C 0.172 176.266 176.094 -0.001 0.000 1.290 43 V CA 0.658 62.954 62.300 -0.007 0.000 1.201 43 V CB -1.582 30.236 31.823 -0.007 0.000 1.045 43 V HN 0.667 nan 8.190 nan 0.000 0.425 48 R N 1.425 121.954 120.500 0.049 0.000 2.758 48 R HA 0.877 5.217 4.340 -0.000 0.000 0.265 48 R C -1.193 175.146 176.300 0.065 0.000 1.016 48 R CA -1.001 55.122 56.100 0.038 0.000 1.040 48 R CB 2.314 32.658 30.300 0.072 0.000 1.152 48 R HN 0.553 nan 8.270 nan 0.000 0.503 49 L N 0.916 122.134 121.223 -0.009 0.000 2.370 49 L HA 0.519 4.859 4.340 -0.000 0.000 0.266 49 L C -1.781 175.133 176.870 0.072 0.000 1.002 49 L CA -0.536 54.353 54.840 0.083 0.000 0.818 49 L CB 1.771 43.801 42.059 -0.049 0.000 1.325 49 L HN 0.487 nan 8.230 nan 0.000 0.418 50 Y N 1.159 121.667 120.300 0.347 0.000 2.457 50 Y HA 0.537 5.087 4.550 -0.000 0.000 0.343 50 Y C -0.183 175.954 175.900 0.396 0.000 0.994 50 Y CA -0.707 57.583 58.100 0.317 0.000 1.031 50 Y CB 2.500 41.070 38.460 0.182 0.000 1.246 50 Y HN 0.559 nan 8.280 nan 0.000 0.449 51 T N 4.687 119.460 114.554 0.365 0.000 2.889 51 T HA 0.594 4.944 4.350 -0.000 0.000 0.291 51 T C -0.758 174.068 174.700 0.210 0.000 0.995 51 T CA -0.394 61.765 62.100 0.098 0.000 1.092 51 T CB 0.314 69.100 68.868 -0.137 0.000 0.954 51 T HN 0.458 nan 8.240 nan 0.000 0.506 52 F N -0.952 118.957 119.950 -0.069 0.000 2.692 52 F HA 0.871 5.398 4.527 -0.000 0.000 0.320 52 F C 0.254 176.019 175.800 -0.060 0.000 1.123 52 F CA -0.437 57.539 58.000 -0.040 0.000 0.961 52 F CB 0.850 39.840 39.000 -0.017 0.000 1.383 52 F HN 1.044 nan 8.300 nan 0.000 0.483 53 G N 0.677 109.497 108.800 0.032 0.000 2.627 53 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.214 53 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.214 53 G C 0.520 175.403 174.900 -0.029 0.000 1.331 53 G CA 0.332 45.395 45.100 -0.061 0.000 0.891 53 G HN 1.898 nan 8.290 nan 0.000 0.539 54 S N -1.196 114.496 115.700 -0.014 0.000 2.400 54 S HA -0.215 4.255 4.470 -0.000 0.000 0.234 54 S C 2.383 177.023 174.600 0.066 0.000 1.049 54 S CA 3.292 61.503 58.200 0.018 0.000 1.039 54 S CB -0.657 62.622 63.200 0.132 0.000 0.856 54 S HN 1.343 nan 8.310 nan 0.000 0.465 55 T N 1.079 115.669 114.554 0.059 0.000 2.867 55 T HA 0.021 4.370 4.350 -0.000 0.000 0.268 55 T C 1.799 176.531 174.700 0.053 0.000 1.057 55 T CA 1.280 63.434 62.100 0.089 0.000 1.136 55 T CB -0.294 68.604 68.868 0.050 0.000 0.874 55 T HN 0.314 nan 8.240 nan 0.000 0.466 56 V N 1.122 121.044 119.914 0.013 0.000 2.255 56 V HA -0.119 4.001 4.120 -0.000 0.000 0.243 56 V C 2.653 178.766 176.094 0.032 0.000 1.038 56 V CA 1.196 63.512 62.300 0.026 0.000 1.008 56 V CB -0.727 31.123 31.823 0.044 0.000 0.645 56 V HN 0.277 nan 8.190 nan 0.000 0.449 57 V N -0.761 119.145 119.914 -0.014 0.000 2.278 57 V HA -0.313 3.806 4.120 -0.000 0.000 0.251 57 V C 2.188 178.259 176.094 -0.037 0.000 1.062 57 V CA 2.375 64.638 62.300 -0.061 0.000 1.038 57 V CB -0.765 30.916 31.823 -0.236 0.000 0.646 57 V HN 0.581 nan 8.190 nan 0.000 0.447 58 Y N -0.176 120.175 120.300 0.085 0.000 2.503 58 Y HA 0.423 4.972 4.550 -0.001 0.000 0.277 58 Y C 2.082 177.951 175.900 -0.052 0.000 1.102 58 Y CA 0.187 58.269 58.100 -0.031 0.000 1.261 58 Y CB -0.414 37.983 38.460 -0.105 0.000 1.096 58 Y HN 0.324 nan 8.280 nan 0.000 0.546 59 G N 0.719 109.594 108.800 0.125 0.000 2.143 59 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 59 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 59 G C -0.135 174.811 174.900 0.077 0.000 0.991 59 G CA 0.373 45.502 45.100 0.048 0.000 0.689 59 G HN 0.576 nan 8.290 nan 0.000 0.522 60 V N -3.273 116.730 119.914 0.149 0.000 2.789 60 V HA 0.840 4.959 4.120 -0.000 0.000 0.311 60 V C -0.324 175.891 176.094 0.202 0.000 1.073 60 V CA -1.227 61.183 62.300 0.184 0.000 0.921 60 V CB 2.263 34.126 31.823 0.067 0.000 1.009 60 V HN 0.558 nan 8.190 nan 0.000 0.426 61 H N 2.657 121.773 119.070 0.077 0.000 2.547 61 H HA 0.503 5.059 4.556 -0.001 0.000 0.342 61 H C -0.977 174.361 175.328 0.016 0.000 1.048 61 H CA -0.281 55.797 56.048 0.051 0.000 1.204 61 H CB 2.120 31.908 29.762 0.042 0.000 1.493 61 H HN 1.014 nan 8.280 nan 0.000 0.511 62 E N 3.511 123.463 120.200 -0.413 0.000 2.301 62 E HA 0.027 4.377 4.350 -0.000 0.000 0.275 62 E C 0.600 176.885 176.600 -0.524 0.000 1.030 62 E CA -0.564 55.632 56.400 -0.340 0.000 0.852 62 E CB 1.411 31.052 29.700 -0.099 0.000 1.060 62 E HN 0.523 nan 8.360 nan 0.000 0.401 63 K N 2.464 122.714 120.400 -0.250 0.000 2.173 63 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 63 K C 1.398 177.941 176.600 -0.095 0.000 1.046 63 K CA 1.949 58.146 56.287 -0.150 0.000 0.929 63 K CB -0.329 32.102 32.500 -0.115 0.000 0.720 63 K HN 0.582 nan 8.250 nan 0.000 0.453 64 G N -1.216 107.517 108.800 -0.112 0.000 2.784 64 G HA2 0.018 3.978 3.960 -0.000 0.000 0.208 64 G HA3 0.018 3.978 3.960 -0.000 0.000 0.208 64 G C 0.176 175.068 174.900 -0.013 0.000 1.120 64 G CA 0.294 45.370 45.100 -0.041 0.000 0.774 64 G HN 0.390 nan 8.290 nan 0.000 0.528 65 S N 0.238 115.898 115.700 -0.066 0.000 2.606 65 S HA 0.279 4.749 4.470 -0.000 0.000 0.257 65 S C -0.429 174.237 174.600 0.109 0.000 1.327 65 S CA -0.452 57.747 58.200 -0.002 0.000 0.984 65 S CB 1.424 64.603 63.200 -0.035 0.000 0.941 65 S HN 0.101 nan 8.310 nan 0.000 0.576 66 D N -0.834 119.614 120.400 0.080 0.000 2.329 66 D HA 0.565 5.204 4.640 -0.000 0.000 0.246 66 D C -0.828 175.520 176.300 0.080 0.000 1.111 66 D CA -0.064 53.986 54.000 0.083 0.000 0.941 66 D CB 1.048 41.870 40.800 0.037 0.000 1.169 66 D HN 0.374 nan 8.370 nan 0.000 0.441 67 V N 1.957 121.899 119.914 0.047 0.000 2.876 67 V HA 0.358 4.478 4.120 -0.000 0.000 0.312 67 V C -0.930 175.050 176.094 -0.189 0.000 1.085 67 V CA -0.790 61.446 62.300 -0.106 0.000 0.945 67 V CB 2.309 34.038 31.823 -0.157 0.000 1.017 67 V HN 0.527 nan 8.190 nan 0.000 0.428 68 D N 2.615 122.720 120.400 -0.492 0.000 2.375 68 D HA 0.567 5.207 4.640 -0.000 0.000 0.247 68 D C -1.090 174.804 176.300 -0.676 0.000 1.061 68 D CA 0.062 53.703 54.000 -0.599 0.000 0.834 68 D CB 2.219 42.261 40.800 -1.263 0.000 1.247 68 D HN 0.219 nan 8.370 nan 0.000 0.489 69 F N 0.414 120.371 119.950 0.012 0.000 2.594 69 F HA 0.618 5.145 4.527 -0.000 0.000 0.335 69 F C 0.093 176.144 175.800 0.418 0.000 1.058 69 F CA -1.082 57.036 58.000 0.197 0.000 0.981 69 F CB 1.943 41.004 39.000 0.102 0.000 1.289 69 F HN -0.037 nan 8.300 nan 0.000 0.490 70 V N 1.844 122.122 119.914 0.607 0.000 2.851 70 V HA 0.559 4.679 4.120 -0.000 0.000 0.307 70 V C -1.811 174.436 176.094 0.254 0.000 1.129 70 V CA -0.762 61.766 62.300 0.380 0.000 0.932 70 V CB 2.223 34.185 31.823 0.233 0.000 1.024 70 V HN 0.577 nan 8.190 nan 0.000 0.426 71 V N 7.900 127.875 119.914 0.101 0.000 2.427 71 V HA 0.655 4.775 4.120 -0.000 0.000 0.286 71 V C -0.580 175.452 176.094 -0.104 0.000 1.034 71 V CA -0.218 62.087 62.300 0.009 0.000 0.893 71 V CB 1.419 33.202 31.823 -0.067 0.000 0.982 71 V HN 0.783 nan 8.190 nan 0.000 0.452 72 L N 5.730 126.958 121.223 0.008 0.000 2.386 72 L HA 0.575 4.914 4.340 -0.000 0.000 0.271 72 L C -0.485 176.459 176.870 0.123 0.000 0.993 72 L CA -0.587 54.285 54.840 0.053 0.000 0.819 72 L CB 2.243 44.367 42.059 0.109 0.000 1.294 72 L HN 0.602 nan 8.230 nan 0.000 0.414 73 N N 2.841 121.705 118.700 0.272 0.000 2.444 73 N HA 0.489 5.228 4.740 -0.000 0.000 0.262 73 N C -1.147 174.454 175.510 0.150 0.000 0.974 73 N CA -0.523 52.679 53.050 0.252 0.000 0.933 73 N CB 0.924 39.624 38.487 0.354 0.000 1.137 73 N HN 0.420 nan 8.380 nan 0.000 0.498 90 A N 0.078 122.890 122.820 -0.014 0.000 2.192 90 A HA 0.294 4.614 4.320 -0.000 0.000 0.208 90 A C 1.406 178.994 177.584 0.006 0.000 1.220 90 A CA 0.927 52.947 52.037 -0.028 0.000 0.900 90 A CB 0.039 19.023 19.000 -0.026 0.000 0.937 90 A HN 0.576 nan 8.150 nan 0.000 0.487 91 K N 0.540 120.953 120.400 0.022 0.000 2.418 91 K HA 0.203 4.523 4.320 -0.000 0.000 0.195 91 K C 1.682 178.306 176.600 0.040 0.000 1.035 91 K CA 0.838 57.150 56.287 0.041 0.000 1.003 91 K CB -0.385 32.137 32.500 0.037 0.000 0.793 91 K HN 0.269 nan 8.250 nan 0.000 0.494 92 G N 1.733 110.547 108.800 0.024 0.000 2.637 92 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 92 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 92 G C 1.171 176.094 174.900 0.037 0.000 1.289 92 G CA 0.388 45.503 45.100 0.024 0.000 0.816 92 G HN 0.167 nan 8.290 nan 0.000 0.580 93 L N 0.922 122.155 121.223 0.018 0.000 2.651 93 L HA -0.050 4.290 4.340 -0.000 0.000 0.236 93 L C 2.730 179.687 176.870 0.145 0.000 1.173 93 L CA 1.081 55.942 54.840 0.035 0.000 0.843 93 L CB -0.288 41.726 42.059 -0.076 0.000 0.964 93 L HN 0.333 nan 8.230 nan 0.000 0.454 94 Q N -0.449 119.437 119.800 0.143 0.000 1.990 94 Q HA -0.150 4.189 4.340 -0.000 0.000 0.200 94 Q C 2.329 178.425 176.000 0.159 0.000 0.980 94 Q CA 2.005 57.932 55.803 0.207 0.000 0.832 94 Q CB -0.240 28.582 28.738 0.140 0.000 0.897 94 Q HN 0.466 nan 8.270 nan 0.000 0.427 95 A N 0.286 123.170 122.820 0.106 0.000 2.015 95 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 95 A C 0.968 178.601 177.584 0.082 0.000 1.163 95 A CA 1.434 53.520 52.037 0.082 0.000 0.646 95 A CB -0.425 18.611 19.000 0.061 0.000 0.806 95 A HN 0.391 nan 8.150 nan 0.000 0.448 96 D N -1.153 119.304 120.400 0.095 0.000 2.490 96 D HA 0.194 4.834 4.640 -0.000 0.000 0.255 96 D C 0.406 176.771 176.300 0.109 0.000 1.248 96 D CA 0.459 54.512 54.000 0.088 0.000 0.887 96 D CB 0.386 41.232 40.800 0.077 0.000 0.978 96 D HN 0.405 nan 8.370 nan 0.000 0.491 97 I N -1.255 119.375 120.570 0.101 0.000 4.724 97 I HA 0.038 4.208 4.170 -0.000 0.000 0.398 97 I C 0.318 176.456 176.117 0.036 0.000 1.074 97 I CA 0.212 61.554 61.300 0.070 0.000 1.395 97 I CB 0.584 38.631 38.000 0.078 0.000 2.372 97 I HN -0.120 nan 8.210 nan 0.000 0.746 98 L N 0.560 121.814 121.223 0.052 0.000 2.791 98 L HA 0.525 4.864 4.340 -0.000 0.000 0.239 98 L C 1.283 178.181 176.870 0.047 0.000 1.203 98 L CA 0.740 55.609 54.840 0.049 0.000 1.002 98 L CB 0.177 42.272 42.059 0.060 0.000 1.295 98 L HN 0.285 nan 8.230 nan 0.000 0.504 99 A N -0.702 122.143 122.820 0.042 0.000 2.010 99 A HA 0.118 4.438 4.320 -0.000 0.000 0.193 99 A C 1.785 179.386 177.584 0.030 0.000 1.659 99 A CA -0.192 51.867 52.037 0.036 0.000 1.175 99 A CB 0.361 19.383 19.000 0.035 0.000 1.301 99 A HN 0.102 nan 8.150 nan 0.000 0.448 100 K N 0.042 120.461 120.400 0.031 0.000 2.432 100 K HA 0.131 4.451 4.320 -0.000 0.000 0.196 100 K C 1.266 177.876 176.600 0.017 0.000 1.038 100 K CA 0.643 56.944 56.287 0.023 0.000 0.986 100 K CB 0.053 32.569 32.500 0.027 0.000 0.782 100 K HN 0.400 nan 8.250 nan 0.000 0.485 101 L N 0.653 121.888 121.223 0.021 0.000 2.362 101 L HA 0.273 4.613 4.340 -0.000 0.000 0.204 101 L C 2.118 179.007 176.870 0.032 0.000 1.060 101 L CA 0.975 55.826 54.840 0.019 0.000 0.827 101 L CB -0.415 41.653 42.059 0.015 0.000 1.027 101 L HN 0.051 nan 8.230 nan 0.000 0.474 102 A N -0.337 122.507 122.820 0.040 0.000 2.070 102 A HA -0.203 4.116 4.320 -0.000 0.000 0.220 102 A C 2.396 180.000 177.584 0.035 0.000 1.159 102 A CA 1.659 53.724 52.037 0.046 0.000 0.656 102 A CB -0.534 18.492 19.000 0.043 0.000 0.800 102 A HN 0.439 nan 8.150 nan 0.000 0.453 103 R N -0.762 119.752 120.500 0.023 0.000 2.093 103 R HA -0.000 4.339 4.340 -0.000 0.000 0.224 103 R C 1.597 177.897 176.300 0.001 0.000 1.101 103 R CA 1.453 57.559 56.100 0.011 0.000 0.979 103 R CB -0.214 30.091 30.300 0.008 0.000 0.877 103 R HN 0.289 nan 8.270 nan 0.000 0.441 104 V N 1.197 121.112 119.914 0.000 0.000 2.951 104 V HA -0.093 4.027 4.120 -0.000 0.000 0.255 104 V C 1.879 177.963 176.094 -0.016 0.000 1.088 104 V CA 1.206 63.498 62.300 -0.015 0.000 1.109 104 V CB -0.197 31.616 31.823 -0.017 0.000 0.724 104 V HN 0.452 nan 8.190 nan 0.000 0.471 105 I N -1.125 119.451 120.570 0.011 0.000 2.716 105 I HA 0.012 4.182 4.170 -0.000 0.000 0.259 105 I C 2.347 178.456 176.117 -0.014 0.000 1.172 105 I CA 1.316 62.630 61.300 0.024 0.000 1.478 105 I CB -0.464 37.599 38.000 0.105 0.000 1.104 105 I HN -0.027 nan 8.210 nan 0.000 0.439 106 R N 0.595 121.096 120.500 0.000 0.000 2.075 106 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 106 R C 2.418 178.683 176.300 -0.057 0.000 1.126 106 R CA 1.680 57.774 56.100 -0.011 0.000 0.963 106 R CB -0.528 29.779 30.300 0.011 0.000 0.858 106 R HN 0.604 nan 8.270 nan 0.000 0.435 107 Q N 0.828 120.593 119.800 -0.060 0.000 2.050 107 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 107 Q C 1.736 177.649 176.000 -0.144 0.000 0.980 107 Q CA 1.389 57.143 55.803 -0.082 0.000 0.840 107 Q CB 0.146 28.846 28.738 -0.063 0.000 0.898 107 Q HN 0.026 nan 8.270 nan 0.000 0.424 108 K N -0.416 119.879 120.400 -0.175 0.000 2.305 108 K HA -0.026 4.294 4.320 -0.000 0.000 0.199 108 K C -0.265 175.936 176.600 -0.665 0.000 1.047 108 K CA 0.651 56.744 56.287 -0.324 0.000 0.976 108 K CB 0.234 32.601 32.500 -0.222 0.000 0.765 108 K HN 0.313 nan 8.250 nan 0.000 0.474 109 H N -0.526 118.282 119.070 -0.437 0.000 2.808 109 H HA 0.180 4.736 4.556 -0.000 0.000 0.268 109 H C 0.068 175.116 175.328 -0.467 0.000 1.306 109 H CA -0.225 55.395 56.048 -0.713 0.000 1.565 109 H CB 0.725 29.479 29.762 -1.680 0.000 1.632 109 H HN -0.140 nan 8.280 nan 0.000 0.525 110 L N 0.729 121.842 121.223 -0.184 0.000 2.554 110 L HA -0.010 4.330 4.340 -0.000 0.000 0.226 110 L C 1.909 178.799 176.870 0.033 0.000 1.137 110 L CA 0.978 55.782 54.840 -0.060 0.000 0.863 110 L CB 0.036 42.061 42.059 -0.057 0.000 0.985 110 L HN 0.531 nan 8.230 nan 0.000 0.451 111 S N -3.053 112.705 115.700 0.096 0.000 2.517 111 S HA 0.035 4.505 4.470 -0.000 0.000 0.214 111 S C 0.242 175.046 174.600 0.340 0.000 0.991 111 S CA -0.560 57.762 58.200 0.203 0.000 0.906 111 S CB -0.234 63.099 63.200 0.222 0.000 0.789 111 S HN 0.183 nan 8.310 nan 0.000 0.513 112 W N 3.755 125.084 121.300 0.049 0.000 2.216 112 W HA 0.422 5.082 4.660 -0.001 0.000 0.326 112 W C -0.020 176.500 176.519 0.002 0.000 1.319 112 W CA -1.942 55.419 57.345 0.026 0.000 1.213 112 W CB -0.584 28.895 29.460 0.032 0.000 1.171 112 W HN 0.198 nan 8.180 nan 0.000 0.557 113 N N 1.301 120.087 118.700 0.144 0.000 2.475 113 N HA 0.287 5.027 4.740 -0.000 0.000 0.267 113 N C -1.026 174.510 175.510 0.042 0.000 1.169 113 N CA -0.184 52.901 53.050 0.059 0.000 0.947 113 N CB 1.170 39.654 38.487 -0.006 0.000 1.061 113 N HN 0.206 nan 8.380 nan 0.000 0.466 114 V N 2.096 122.036 119.914 0.043 0.000 2.577 114 V HA 0.235 4.355 4.120 -0.000 0.000 0.294 114 V C -0.908 175.193 176.094 0.012 0.000 1.052 114 V CA -0.483 61.833 62.300 0.027 0.000 0.891 114 V CB 1.117 32.994 31.823 0.089 0.000 1.017 114 V HN 0.651 nan 8.190 nan 0.000 0.436 115 E N 3.737 123.929 120.200 -0.013 0.000 2.267 115 E HA 0.582 4.932 4.350 -0.000 0.000 0.258 115 E C -0.742 175.862 176.600 0.006 0.000 1.074 115 E CA -0.701 55.697 56.400 -0.004 0.000 0.915 115 E CB 1.819 31.511 29.700 -0.013 0.000 1.186 115 E HN 0.745 nan 8.360 nan 0.000 0.439 116 E N 0.970 121.178 120.200 0.013 0.000 3.386 116 E HA 0.178 4.527 4.350 -0.000 0.000 0.236 116 E C -1.165 175.449 176.600 0.022 0.000 1.227 116 E CA -0.196 56.218 56.400 0.022 0.000 0.970 116 E CB 1.349 31.065 29.700 0.026 0.000 1.343 116 E HN 0.140 nan 8.360 nan 0.000 0.397 117 V N 2.575 122.500 119.914 0.020 0.000 2.814 117 V HA -0.033 4.087 4.120 -0.000 0.000 0.307 117 V C 0.758 176.866 176.094 0.024 0.000 1.089 117 V CA 0.744 63.055 62.300 0.019 0.000 1.212 117 V CB -0.098 31.735 31.823 0.018 0.000 0.912 117 V HN 0.552 nan 8.190 nan 0.000 0.497 124 V N 0.285 120.244 119.914 0.075 0.000 3.007 124 V HA 0.706 4.825 4.120 -0.000 0.000 0.311 124 V C -1.168 174.965 176.094 0.065 0.000 1.120 124 V CA -0.799 61.553 62.300 0.086 0.000 0.980 124 V CB 2.954 34.833 31.823 0.093 0.000 1.033 124 V HN 0.026 nan 8.190 nan 0.000 0.429 125 V N 5.868 125.825 119.914 0.071 0.000 2.357 125 V HA 0.566 4.686 4.120 -0.000 0.000 0.284 125 V C -0.011 176.073 176.094 -0.017 0.000 1.018 125 V CA -0.578 61.745 62.300 0.037 0.000 0.841 125 V CB 1.588 33.445 31.823 0.057 0.000 0.991 125 V HN 0.841 nan 8.190 nan 0.000 0.437 126 R N 4.427 124.890 120.500 -0.061 0.000 2.265 126 R HA 0.715 5.055 4.340 -0.000 0.000 0.328 126 R C -1.522 174.641 176.300 -0.228 0.000 0.969 126 R CA -0.286 55.733 56.100 -0.136 0.000 0.832 126 R CB 1.429 31.685 30.300 -0.074 0.000 1.139 126 R HN 0.536 nan 8.270 nan 0.000 0.457 127 V N 4.941 124.572 119.914 -0.472 0.000 2.604 127 V HA 0.502 4.621 4.120 -0.000 0.000 0.305 127 V C -0.294 175.508 176.094 -0.487 0.000 1.043 127 V CA -0.929 61.053 62.300 -0.531 0.000 0.888 127 V CB 1.804 33.107 31.823 -0.867 0.000 0.995 127 V HN 0.753 nan 8.190 nan 0.000 0.429 128 K N 1.782 121.988 120.400 -0.323 0.000 2.331 128 K HA 0.955 5.275 4.320 -0.000 0.000 0.238 128 K C 0.123 176.415 176.600 -0.513 0.000 1.058 128 K CA -0.349 55.745 56.287 -0.321 0.000 0.871 128 K CB 2.542 34.932 32.500 -0.184 0.000 1.292 128 K HN 0.999 nan 8.250 nan 0.000 0.470 129 G N -1.016 107.461 108.800 -0.538 0.000 2.455 129 G HA2 0.351 4.311 3.960 -0.000 0.000 0.223 129 G HA3 0.351 4.311 3.960 -0.000 0.000 0.223 129 G C -1.500 173.145 174.900 -0.425 0.000 1.226 129 G CA -0.250 44.404 45.100 -0.744 0.000 0.948 129 G HN 0.672 nan 8.290 nan 0.000 0.478 130 G N -1.527 107.085 108.800 -0.313 0.000 2.702 130 G HA2 0.689 4.648 3.960 -0.000 0.000 0.295 130 G HA3 0.689 4.648 3.960 -0.000 0.000 0.295 130 G C 0.725 175.685 174.900 0.100 0.000 1.446 130 G CA 1.084 46.169 45.100 -0.025 0.000 0.983 130 G HN 2.323 nan 8.290 nan 0.000 0.520 131 G N 0.254 109.095 108.800 0.067 0.000 2.195 131 G HA2 0.239 4.198 3.960 -0.000 0.000 0.224 131 G HA3 0.239 4.198 3.960 -0.000 0.000 0.224 131 G C 0.530 175.483 174.900 0.088 0.000 0.990 131 G CA 0.426 45.605 45.100 0.132 0.000 0.639 131 G HN 1.986 nan 8.290 nan 0.000 0.514 132 A N -0.188 122.588 122.820 -0.074 0.000 2.356 132 A HA 0.944 5.264 4.320 -0.000 0.000 0.323 132 A C 0.392 177.949 177.584 -0.044 0.000 1.119 132 A CA 0.043 52.021 52.037 -0.099 0.000 0.790 132 A CB 1.728 20.501 19.000 -0.378 0.000 1.273 132 A HN 1.798 nan 8.150 nan 0.000 0.452 133 V N -0.344 119.608 119.914 0.063 0.000 2.732 133 V HA 0.377 4.497 4.120 -0.000 0.000 0.297 133 V C -0.448 175.735 176.094 0.149 0.000 1.060 133 V CA -0.950 61.400 62.300 0.083 0.000 1.038 133 V CB 0.552 32.400 31.823 0.042 0.000 1.003 133 V HN 0.714 nan 8.190 nan 0.000 0.481 134 D N 4.366 124.810 120.400 0.074 0.000 2.472 134 D HA 0.321 4.960 4.640 -0.000 0.000 0.248 134 D C -0.374 176.019 176.300 0.155 0.000 1.174 134 D CA 0.994 55.011 54.000 0.029 0.000 0.883 134 D CB -0.079 40.717 40.800 -0.007 0.000 1.149 134 D HN 0.711 nan 8.370 nan 0.000 0.488 135 F N -0.655 119.306 119.950 0.018 0.000 2.599 135 F HA 0.574 5.100 4.527 -0.000 0.000 0.311 135 F C -0.742 175.108 175.800 0.083 0.000 1.076 135 F CA -1.298 56.751 58.000 0.082 0.000 0.937 135 F CB 1.496 40.657 39.000 0.268 0.000 1.282 135 F HN -0.141 nan 8.300 nan 0.000 0.460 136 D N 2.484 123.021 120.400 0.229 0.000 2.163 136 D HA 0.553 5.193 4.640 -0.000 0.000 0.248 136 D C -1.097 175.426 176.300 0.372 0.000 1.035 136 D CA -0.023 54.076 54.000 0.166 0.000 0.872 136 D CB 2.412 43.267 40.800 0.092 0.000 1.183 136 D HN 0.814 nan 8.370 nan 0.000 0.445 137 I N 0.997 121.753 120.570 0.309 0.000 2.534 137 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 137 I C -0.687 175.574 176.117 0.239 0.000 1.077 137 I CA -0.082 61.435 61.300 0.363 0.000 1.051 137 I CB 1.809 40.082 38.000 0.455 0.000 1.234 137 I HN 0.224 nan 8.210 nan 0.000 0.425 138 T N 4.913 119.618 114.554 0.252 0.000 2.807 138 T HA 0.926 5.276 4.350 -0.000 0.000 0.277 138 T C -0.985 173.781 174.700 0.111 0.000 1.006 138 T CA -0.254 61.949 62.100 0.171 0.000 1.006 138 T CB 1.646 70.620 68.868 0.178 0.000 1.274 138 T HN 0.768 nan 8.240 nan 0.000 0.569 139 A N 0.015 122.865 122.820 0.050 0.000 2.515 139 A HA 0.706 5.026 4.320 -0.000 0.000 0.296 139 A C -0.882 176.709 177.584 0.011 0.000 1.094 139 A CA -0.518 51.466 52.037 -0.087 0.000 0.718 139 A CB 0.460 19.307 19.000 -0.255 0.000 1.307 139 A HN 1.079 nan 8.150 nan 0.000 0.408 140 Y N -1.403 118.917 120.300 0.033 0.000 4.916 140 Y HA -0.243 4.307 4.550 -0.001 0.000 0.247 140 Y C 0.612 176.492 175.900 -0.033 0.000 0.962 140 Y CA 1.552 59.655 58.100 0.004 0.000 1.933 140 Y CB -1.841 36.626 38.460 0.012 0.000 1.451 140 Y HN 0.737 nan 8.280 nan 0.000 0.539 141 R N 0.643 121.177 120.500 0.057 0.000 2.338 141 R HA 0.574 4.914 4.340 -0.000 0.000 0.317 141 R C 0.996 177.204 176.300 -0.154 0.000 0.968 141 R CA -0.340 55.737 56.100 -0.038 0.000 0.849 141 R CB 0.915 31.185 30.300 -0.050 0.000 1.128 141 R HN 0.361 nan 8.270 nan 0.000 0.448 142 R N 0.797 121.191 120.500 -0.176 0.000 2.365 142 R HA 0.199 4.538 4.340 -0.000 0.000 0.223 142 R C 0.416 176.518 176.300 -0.329 0.000 0.899 142 R CA -0.147 55.793 56.100 -0.267 0.000 1.059 142 R CB 0.168 30.329 30.300 -0.232 0.000 1.086 142 R HN 0.329 nan 8.270 nan 0.000 0.522 143 N N 1.392 119.926 118.700 -0.277 0.000 2.331 143 N HA -0.044 4.696 4.740 -0.000 0.000 0.180 143 N C 1.745 177.095 175.510 -0.267 0.000 1.019 143 N CA 1.508 54.410 53.050 -0.247 0.000 0.881 143 N CB -0.281 38.153 38.487 -0.088 0.000 0.972 143 N HN 0.449 nan 8.380 nan 0.000 0.435 144 G N 0.800 109.336 108.800 -0.440 0.000 2.418 144 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 144 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 144 G C 1.606 176.269 174.900 -0.395 0.000 1.158 144 G CA 1.218 45.959 45.100 -0.600 0.000 0.771 144 G HN 0.325 nan 8.290 nan 0.000 0.545 145 V N -1.209 118.441 119.914 -0.440 0.000 2.809 145 V HA 0.182 4.302 4.120 -0.000 0.000 0.256 145 V C 2.413 178.409 176.094 -0.163 0.000 1.080 145 V CA 1.974 64.166 62.300 -0.179 0.000 1.102 145 V CB -0.384 31.294 31.823 -0.242 0.000 0.705 145 V HN 0.290 nan 8.190 nan 0.000 0.475 146 R N 1.912 122.257 120.500 -0.257 0.000 2.100 146 R HA -0.010 4.329 4.340 -0.000 0.000 0.220 146 R C 2.195 178.475 176.300 -0.034 0.000 1.091 146 R CA 1.560 57.471 56.100 -0.314 0.000 0.986 146 R CB -0.235 29.637 30.300 -0.714 0.000 0.888 146 R HN 0.828 nan 8.270 nan 0.000 0.444 147 N N -0.985 117.784 118.700 0.116 0.000 2.416 147 N HA -0.023 4.716 4.740 -0.000 0.000 0.177 147 N C 1.103 176.740 175.510 0.212 0.000 1.036 147 N CA 1.095 54.343 53.050 0.329 0.000 0.901 147 N CB -0.090 38.641 38.487 0.405 0.000 0.976 147 N HN -0.077 nan 8.380 nan 0.000 0.444 148 S N 0.168 115.943 115.700 0.124 0.000 2.383 148 S HA 0.052 4.522 4.470 -0.000 0.000 0.227 148 S C 2.021 176.677 174.600 0.094 0.000 1.026 148 S CA 0.913 59.186 58.200 0.123 0.000 0.981 148 S CB -0.495 62.793 63.200 0.147 0.000 0.818 148 S HN 0.649 nan 8.310 nan 0.000 0.472 149 A N 1.301 124.164 122.820 0.071 0.000 1.930 149 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 149 A C 2.084 179.688 177.584 0.033 0.000 1.175 149 A CA 1.101 53.163 52.037 0.042 0.000 0.627 149 A CB -0.620 18.387 19.000 0.012 0.000 0.815 149 A HN 0.404 nan 8.150 nan 0.000 0.443 150 L N -0.106 121.166 121.223 0.082 0.000 1.994 150 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 150 L C 2.327 179.232 176.870 0.059 0.000 1.071 150 L CA 1.730 56.605 54.840 0.059 0.000 0.745 150 L CB -0.537 41.623 42.059 0.170 0.000 0.892 150 L HN 0.409 nan 8.230 nan 0.000 0.431 151 L N -1.044 120.242 121.223 0.104 0.000 2.056 151 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 151 L C 2.724 179.559 176.870 -0.058 0.000 1.078 151 L CA 1.221 56.069 54.840 0.015 0.000 0.749 151 L CB -0.627 41.465 42.059 0.055 0.000 0.901 151 L HN 0.271 nan 8.230 nan 0.000 0.433 152 R N 1.082 121.608 120.500 0.043 0.000 2.113 152 R HA -0.208 4.132 4.340 -0.000 0.000 0.244 152 R C 2.178 178.493 176.300 0.027 0.000 1.142 152 R CA 2.032 58.177 56.100 0.074 0.000 0.953 152 R CB -0.803 29.532 30.300 0.057 0.000 0.860 152 R HN 0.335 nan 8.270 nan 0.000 0.438 153 A N -0.842 121.945 122.820 -0.054 0.000 1.902 153 A HA -0.147 4.172 4.320 -0.000 0.000 0.217 153 A C 2.212 179.690 177.584 -0.176 0.000 1.181 153 A CA 1.525 53.480 52.037 -0.136 0.000 0.623 153 A CB -0.888 17.973 19.000 -0.232 0.000 0.818 153 A HN 0.539 nan 8.150 nan 0.000 0.443 154 Y N -1.438 118.761 120.300 -0.168 0.000 2.097 154 Y HA -0.238 4.312 4.550 -0.001 0.000 0.282 154 Y C 2.189 177.995 175.900 -0.157 0.000 1.152 154 Y CA 1.736 59.698 58.100 -0.230 0.000 1.136 154 Y CB -0.415 37.804 38.460 -0.401 0.000 0.975 154 Y HN 0.344 nan 8.280 nan 0.000 0.498 155 F N 0.074 120.127 119.950 0.170 0.000 2.365 155 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 155 F C 2.134 177.966 175.800 0.053 0.000 1.090 155 F CA 0.757 58.818 58.000 0.102 0.000 1.408 155 F CB -0.598 38.457 39.000 0.092 0.000 1.060 155 F HN 0.139 nan 8.300 nan 0.000 0.534 156 E N 0.129 120.431 120.200 0.169 0.000 2.150 156 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 156 E C 2.020 178.663 176.600 0.071 0.000 0.985 156 E CA 0.765 57.217 56.400 0.087 0.000 0.814 156 E CB -0.351 29.369 29.700 0.033 0.000 0.752 156 E HN 0.573 nan 8.360 nan 0.000 0.466 157 Q N 0.053 119.896 119.800 0.071 0.000 2.226 157 Q HA -0.066 4.273 4.340 -0.000 0.000 0.204 157 Q C 0.553 176.608 176.000 0.092 0.000 0.975 157 Q CA 0.673 56.514 55.803 0.064 0.000 0.866 157 Q CB -0.013 28.764 28.738 0.065 0.000 0.915 157 Q HN 0.104 nan 8.270 nan 0.000 0.440 158 N N -1.057 117.723 118.700 0.134 0.000 2.946 158 N HA 0.099 4.838 4.740 -0.000 0.000 0.213 158 N C -2.533 173.070 175.510 0.154 0.000 1.440 158 N CA -0.833 52.297 53.050 0.135 0.000 0.745 158 N CB 1.112 39.691 38.487 0.153 0.000 1.471 158 N HN -0.202 nan 8.380 nan 0.000 0.569 159 P HA -0.035 nan 4.420 nan 0.000 0.218 159 P C -1.701 175.591 177.300 -0.013 0.000 1.148 159 P CA 0.913 64.042 63.100 0.047 0.000 0.822 159 P CB -0.305 31.400 31.700 0.008 0.000 0.784 160 P HA -0.080 nan 4.420 nan 0.000 0.222 160 P C 0.684 178.049 177.300 0.109 0.000 1.147 160 P CA 1.048 64.226 63.100 0.129 0.000 0.790 160 P CB -0.620 31.160 31.700 0.134 0.000 0.780 161 C N -1.163 118.185 119.300 0.080 0.000 2.466 161 C HA 0.030 4.490 4.460 -0.000 0.000 0.283 161 C C 2.435 177.378 174.990 -0.077 0.000 1.472 161 C CA 0.246 59.328 59.018 0.107 0.000 1.765 161 C CB -1.729 26.167 27.740 0.260 0.000 1.724 161 C HN 0.289 nan 8.230 nan 0.000 0.560 162 R N -0.412 119.874 120.500 -0.357 0.000 2.115 162 R HA -0.125 4.214 4.340 -0.000 0.000 0.230 162 R C 1.926 177.847 176.300 -0.632 0.000 1.111 162 R CA 1.471 57.135 56.100 -0.726 0.000 0.976 162 R CB -0.201 29.610 30.300 -0.816 0.000 0.870 162 R HN 0.659 nan 8.270 nan 0.000 0.445 163 W N 0.756 121.864 121.300 -0.320 0.000 2.335 163 W HA -0.195 4.464 4.660 -0.001 0.000 0.311 163 W C 2.054 178.422 176.519 -0.251 0.000 1.213 163 W CA 0.170 57.310 57.345 -0.342 0.000 1.274 163 W CB -0.494 28.802 29.460 -0.272 0.000 1.148 163 W HN 0.086 nan 8.180 nan 0.000 0.498 164 L N 0.414 121.668 121.223 0.052 0.000 1.990 164 L HA -0.269 4.071 4.340 -0.000 0.000 0.213 164 L C 2.648 179.466 176.870 -0.087 0.000 1.072 164 L CA 2.561 57.387 54.840 -0.024 0.000 0.755 164 L CB -1.505 40.571 42.059 0.028 0.000 0.889 164 L HN -0.022 nan 8.230 nan 0.000 0.432 165 S N -0.833 114.833 115.700 -0.057 0.000 2.359 165 S HA -0.277 4.192 4.470 -0.000 0.000 0.223 165 S C 2.002 176.577 174.600 -0.041 0.000 1.039 165 S CA 2.159 60.364 58.200 0.009 0.000 1.042 165 S CB -0.321 62.927 63.200 0.080 0.000 0.915 165 S HN 0.548 nan 8.310 nan 0.000 0.439 166 M N 0.803 120.286 119.600 -0.195 0.000 2.296 166 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 166 M C 2.348 178.646 176.300 -0.003 0.000 1.064 166 M CA 1.102 56.275 55.300 -0.211 0.000 1.109 166 M CB -0.416 31.863 32.600 -0.536 0.000 1.396 166 M HN 0.239 nan 8.290 nan 0.000 0.430 167 S N 0.836 116.565 115.700 0.049 0.000 2.368 167 S HA -0.037 4.433 4.470 -0.000 0.000 0.224 167 S C 1.885 176.480 174.600 -0.009 0.000 1.029 167 S CA 0.930 59.197 58.200 0.111 0.000 0.988 167 S CB -0.132 63.105 63.200 0.063 0.000 0.838 167 S HN 0.301 nan 8.310 nan 0.000 0.462 168 I N 2.082 122.577 120.570 -0.124 0.000 2.286 168 I HA -0.087 4.082 4.170 -0.000 0.000 0.245 168 I C 2.396 178.458 176.117 -0.092 0.000 1.104 168 I CA 1.279 62.473 61.300 -0.175 0.000 1.397 168 I CB -1.162 36.626 38.000 -0.352 0.000 1.072 168 I HN 0.318 nan 8.210 nan 0.000 0.417 169 K N 1.328 121.677 120.400 -0.085 0.000 2.032 169 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 169 K C 2.385 178.935 176.600 -0.083 0.000 1.048 169 K CA 1.613 57.849 56.287 -0.086 0.000 0.927 169 K CB -0.145 32.379 32.500 0.039 0.000 0.712 169 K HN 0.121 nan 8.250 nan 0.000 0.441 170 R N -0.288 120.193 120.500 -0.031 0.000 2.081 170 R HA -0.190 4.149 4.340 -0.000 0.000 0.235 170 R C 2.210 178.480 176.300 -0.049 0.000 1.131 170 R CA 1.902 57.975 56.100 -0.044 0.000 0.960 170 R CB -0.581 29.696 30.300 -0.038 0.000 0.856 170 R HN 0.514 nan 8.270 nan 0.000 0.436 171 W N 1.546 122.714 121.300 -0.221 0.000 2.363 171 W HA -0.166 4.493 4.660 -0.000 0.000 0.296 171 W C 2.121 178.465 176.519 -0.290 0.000 1.212 171 W CA 1.817 59.023 57.345 -0.232 0.000 1.260 171 W CB -0.270 29.059 29.460 -0.218 0.000 1.131 171 W HN 0.198 nan 8.180 nan 0.000 0.530 172 S N -0.061 115.363 115.700 -0.461 0.000 2.481 172 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 172 S C 1.568 175.842 174.600 -0.543 0.000 0.996 172 S CA 1.186 58.884 58.200 -0.836 0.000 0.942 172 S CB -0.353 62.233 63.200 -1.023 0.000 0.768 172 S HN 0.428 nan 8.310 nan 0.000 0.520 173 K N 0.946 121.134 120.400 -0.353 0.000 2.128 173 K HA 0.110 4.430 4.320 -0.000 0.000 0.202 173 K C 2.561 179.013 176.600 -0.247 0.000 1.050 173 K CA 0.846 56.996 56.287 -0.227 0.000 0.966 173 K CB -0.182 32.238 32.500 -0.134 0.000 0.759 173 K HN 0.410 nan 8.250 nan 0.000 0.454 174 Q N 0.249 119.881 119.800 -0.281 0.000 2.050 174 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 174 Q C 2.081 177.886 176.000 -0.325 0.000 0.980 174 Q CA 1.683 57.336 55.803 -0.250 0.000 0.840 174 Q CB -0.187 28.425 28.738 -0.210 0.000 0.898 174 Q HN 0.193 nan 8.270 nan 0.000 0.424 175 T N -1.316 112.889 114.554 -0.581 0.000 3.035 175 T HA 0.030 4.380 4.350 -0.000 0.000 0.268 175 T C 1.057 175.382 174.700 -0.626 0.000 1.109 175 T CA 1.028 62.651 62.100 -0.795 0.000 1.119 175 T CB -0.277 67.710 68.868 -1.469 0.000 0.900 175 T HN 0.666 nan 8.240 nan 0.000 0.503 176 G N 0.496 109.055 108.800 -0.401 0.000 2.136 176 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.242 176 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.242 176 G C 0.721 175.552 174.900 -0.116 0.000 0.989 176 G CA 0.460 45.456 45.100 -0.173 0.000 0.682 176 G HN 0.542 nan 8.290 nan 0.000 0.522 177 L N -0.202 120.853 121.223 -0.280 0.000 2.354 177 L HA 0.219 4.559 4.340 -0.000 0.000 0.212 177 L C 1.612 178.507 176.870 0.041 0.000 1.091 177 L CA -0.039 54.718 54.840 -0.138 0.000 0.828 177 L CB -0.100 41.782 42.059 -0.296 0.000 0.973 177 L HN 0.332 nan 8.230 nan 0.000 0.461 178 N N 0.784 119.490 118.700 0.010 0.000 2.454 178 N HA -0.035 4.704 4.740 -0.000 0.000 0.254 178 N C 0.873 176.431 175.510 0.081 0.000 1.228 178 N CA 0.609 53.734 53.050 0.127 0.000 0.900 178 N CB 1.728 40.234 38.487 0.032 0.000 1.089 178 N HN 0.112 nan 8.380 nan 0.000 0.449 179 A N 2.513 125.397 122.820 0.106 0.000 2.067 179 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 179 A C 2.148 179.763 177.584 0.051 0.000 1.158 179 A CA 1.586 53.664 52.037 0.067 0.000 0.661 179 A CB -0.560 18.484 19.000 0.073 0.000 0.801 179 A HN 0.812 nan 8.150 nan 0.000 0.452 180 S N -0.749 114.984 115.700 0.056 0.000 2.442 180 S HA 0.004 4.474 4.470 -0.000 0.000 0.236 180 S C 0.670 175.279 174.600 0.015 0.000 1.007 180 S CA 0.875 59.098 58.200 0.037 0.000 0.965 180 S CB -0.705 62.518 63.200 0.039 0.000 0.773 180 S HN 0.163 nan 8.310 nan 0.000 0.504 181 V N 2.120 122.037 119.914 0.006 0.000 2.617 181 V HA 0.369 4.489 4.120 -0.000 0.000 0.298 181 V C 0.511 176.603 176.094 -0.002 0.000 1.048 181 V CA -1.016 61.279 62.300 -0.008 0.000 0.964 181 V CB 1.359 33.165 31.823 -0.029 0.000 1.004 181 V HN 0.426 nan 8.190 nan 0.000 0.466 182 I N 3.635 124.200 120.570 -0.007 0.000 2.775 182 I HA 0.222 4.391 4.170 -0.000 0.000 0.290 182 I C 1.532 177.641 176.117 -0.014 0.000 1.203 182 I CA 1.716 63.010 61.300 -0.010 0.000 1.433 182 I CB 0.266 38.257 38.000 -0.015 0.000 1.354 182 I HN 0.979 nan 8.210 nan 0.000 0.579 183 G N 4.245 113.033 108.800 -0.020 0.000 2.363 183 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.238 183 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.238 183 G C 0.720 175.620 174.900 -0.000 0.000 1.062 183 G CA -0.080 45.001 45.100 -0.032 0.000 0.629 183 G HN 1.015 nan 8.290 nan 0.000 0.514 184 G N 0.240 109.053 108.800 0.022 0.000 2.484 184 G HA2 0.500 4.460 3.960 -0.000 0.000 0.235 184 G HA3 0.500 4.460 3.960 -0.000 0.000 0.235 184 G C 1.048 175.967 174.900 0.030 0.000 1.282 184 G CA 1.149 46.273 45.100 0.041 0.000 0.857 184 G HN 1.560 nan 8.290 nan 0.000 0.571 185 S N 0.237 115.956 115.700 0.032 0.000 2.589 185 S HA 0.329 4.799 4.470 -0.000 0.000 0.235 185 S C 0.469 175.058 174.600 -0.018 0.000 1.051 185 S CA -0.238 57.961 58.200 -0.002 0.000 0.978 185 S CB 0.258 63.445 63.200 -0.022 0.000 0.929 185 S HN 0.458 nan 8.310 nan 0.000 0.523 186 I N 2.858 123.419 120.570 -0.015 0.000 2.533 186 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 186 I C -0.112 176.042 176.117 0.061 0.000 1.056 186 I CA -0.891 60.355 61.300 -0.089 0.000 1.057 186 I CB 2.371 40.089 38.000 -0.469 0.000 1.240 186 I HN 0.057 nan 8.210 nan 0.000 0.423 187 T N 0.798 115.406 114.554 0.089 0.000 2.856 187 T HA 0.109 4.459 4.350 -0.000 0.000 0.306 187 T C 1.192 176.092 174.700 0.334 0.000 1.062 187 T CA -0.538 61.683 62.100 0.203 0.000 1.083 187 T CB 1.208 70.211 68.868 0.226 0.000 0.984 187 T HN 0.575 nan 8.240 nan 0.000 0.542 188 S N 0.460 116.372 115.700 0.354 0.000 2.380 188 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 188 S C 1.479 176.311 174.600 0.386 0.000 1.043 188 S CA 1.674 60.102 58.200 0.379 0.000 1.038 188 S CB -0.909 62.445 63.200 0.256 0.000 0.872 188 S HN 0.788 nan 8.310 nan 0.000 0.456 189 Y N 2.226 122.644 120.300 0.196 0.000 2.128 189 Y HA -0.130 4.420 4.550 -0.000 0.000 0.284 189 Y C 2.409 178.393 175.900 0.139 0.000 1.154 189 Y CA 1.335 59.529 58.100 0.157 0.000 1.149 189 Y CB -1.129 37.410 38.460 0.131 0.000 0.976 189 Y HN 0.198 nan 8.280 nan 0.000 0.505 190 G N -0.921 107.850 108.800 -0.048 0.000 2.450 190 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.220 190 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.220 190 G C 1.508 176.286 174.900 -0.203 0.000 1.130 190 G CA 0.936 45.906 45.100 -0.217 0.000 0.760 190 G HN 0.435 nan 8.290 nan 0.000 0.557 191 F N 1.240 121.219 119.950 0.048 0.000 2.146 191 F HA 0.009 4.536 4.527 -0.001 0.000 0.298 191 F C 2.574 178.446 175.800 0.121 0.000 1.096 191 F CA 1.102 59.163 58.000 0.102 0.000 1.275 191 F CB -0.298 38.783 39.000 0.135 0.000 1.008 191 F HN 0.036 nan 8.300 nan 0.000 0.480 192 N N 0.508 119.366 118.700 0.264 0.000 2.120 192 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 192 N C 2.058 177.627 175.510 0.098 0.000 1.024 192 N CA 1.073 54.255 53.050 0.219 0.000 0.852 192 N CB -0.703 37.908 38.487 0.207 0.000 1.003 192 N HN 0.223 nan 8.380 nan 0.000 0.424 193 L N 0.284 121.469 121.223 -0.063 0.000 2.051 193 L HA -0.232 4.108 4.340 -0.000 0.000 0.214 193 L C 2.306 179.222 176.870 0.076 0.000 1.076 193 L CA 1.291 56.077 54.840 -0.089 0.000 0.758 193 L CB -0.453 41.456 42.059 -0.250 0.000 0.890 193 L HN 0.217 nan 8.230 nan 0.000 0.433 194 M N -1.009 118.665 119.600 0.124 0.000 2.067 194 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 194 M C 2.351 179.021 176.300 0.618 0.000 1.069 194 M CA 1.574 57.054 55.300 0.300 0.000 1.117 194 M CB -0.476 32.143 32.600 0.032 0.000 1.334 194 M HN 0.030 nan 8.290 nan 0.000 0.407 195 V N -0.270 119.988 119.914 0.573 0.000 2.332 195 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 195 V C 2.268 178.635 176.094 0.455 0.000 1.055 195 V CA 1.684 64.360 62.300 0.627 0.000 1.038 195 V CB -0.507 31.561 31.823 0.409 0.000 0.651 195 V HN 0.298 nan 8.190 nan 0.000 0.450 196 V N -1.262 118.778 119.914 0.210 0.000 2.379 196 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 196 V C 2.174 178.237 176.094 -0.052 0.000 1.044 196 V CA 2.117 64.377 62.300 -0.066 0.000 1.036 196 V CB -0.762 30.818 31.823 -0.405 0.000 0.664 196 V HN 0.657 nan 8.190 nan 0.000 0.453 197 Y N 0.567 120.853 120.300 -0.023 0.000 2.151 197 Y HA -0.371 4.178 4.550 -0.001 0.000 0.284 197 Y C 2.459 178.302 175.900 -0.095 0.000 1.166 197 Y CA 2.293 60.386 58.100 -0.011 0.000 1.163 197 Y CB -0.639 37.878 38.460 0.096 0.000 0.974 197 Y HN 0.460 nan 8.280 nan 0.000 0.511 198 Y N -0.286 119.894 120.300 -0.199 0.000 2.263 198 Y HA -0.133 4.417 4.550 -0.000 0.000 0.292 198 Y C 1.910 177.555 175.900 -0.426 0.000 1.130 198 Y CA 1.688 59.405 58.100 -0.638 0.000 1.179 198 Y CB -0.659 37.604 38.460 -0.328 0.000 0.998 198 Y HN 0.144 nan 8.280 nan 0.000 0.532 199 L N -0.470 120.495 121.223 -0.431 0.000 2.141 199 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 199 L C 2.232 178.881 176.870 -0.368 0.000 1.094 199 L CA 0.328 54.933 54.840 -0.392 0.000 0.763 199 L CB -0.523 41.530 42.059 -0.011 0.000 0.908 199 L HN 0.286 nan 8.230 nan 0.000 0.437 200 L N -0.389 120.632 121.223 -0.336 0.000 2.046 200 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 200 L C 2.734 179.386 176.870 -0.362 0.000 1.077 200 L CA 1.650 56.334 54.840 -0.261 0.000 0.747 200 L CB -1.292 40.664 42.059 -0.171 0.000 0.896 200 L HN 0.351 nan 8.230 nan 0.000 0.432 201 Q N -0.365 119.099 119.800 -0.560 0.000 2.135 201 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 201 Q C 1.855 177.578 176.000 -0.461 0.000 0.981 201 Q CA 1.088 56.576 55.803 -0.525 0.000 0.856 201 Q CB -0.296 28.016 28.738 -0.709 0.000 0.902 201 Q HN 0.400 nan 8.270 nan 0.000 0.425 202 R N 0.798 120.927 120.500 -0.618 0.000 2.388 202 R HA 0.115 4.454 4.340 -0.000 0.000 0.247 202 R C -0.038 175.828 176.300 -0.723 0.000 0.931 202 R CA -0.163 55.545 56.100 -0.654 0.000 1.082 202 R CB -0.052 29.762 30.300 -0.810 0.000 1.135 202 R HN 0.324 nan 8.270 nan 0.000 0.525 203 N N 0.742 119.164 118.700 -0.463 0.000 2.741 203 N HA -0.188 4.552 4.740 -0.000 0.000 0.251 203 N C 0.212 175.577 175.510 -0.242 0.000 1.112 203 N CA 0.755 53.630 53.050 -0.293 0.000 0.750 203 N CB -1.123 37.232 38.487 -0.221 0.000 1.119 203 N HN 0.447 nan 8.380 nan 0.000 0.561 204 H N -0.205 118.797 119.070 -0.113 0.000 2.548 204 H HA 0.319 4.875 4.556 -0.000 0.000 0.265 204 H C 0.941 176.264 175.328 -0.009 0.000 0.969 204 H CA 0.546 56.561 56.048 -0.055 0.000 1.155 204 H CB 0.760 30.484 29.762 -0.064 0.000 1.394 204 H HN 0.289 nan 8.280 nan 0.000 0.570 205 L N 0.839 122.102 121.223 0.067 0.000 2.434 205 L HA 0.300 4.640 4.340 -0.000 0.000 0.260 205 L C -0.553 176.383 176.870 0.110 0.000 0.983 205 L CA -0.984 53.924 54.840 0.113 0.000 0.820 205 L CB 2.593 44.730 42.059 0.130 0.000 1.361 205 L HN -0.176 nan 8.230 nan 0.000 0.410 206 Q N 1.258 121.148 119.800 0.149 0.000 2.245 206 Q HA 0.388 4.728 4.340 -0.000 0.000 0.256 206 Q C -0.830 175.307 176.000 0.229 0.000 0.942 206 Q CA -0.636 55.253 55.803 0.143 0.000 0.896 206 Q CB 2.310 31.093 28.738 0.075 0.000 1.272 206 Q HN 0.382 nan 8.270 nan 0.000 0.442 207 F N 2.115 122.126 119.950 0.101 0.000 2.578 207 F HA 0.111 4.637 4.527 -0.000 0.000 0.376 207 F C -0.346 175.472 175.800 0.029 0.000 1.085 207 F CA -0.016 58.066 58.000 0.136 0.000 1.260 207 F CB 0.545 39.590 39.000 0.075 0.000 1.095 207 F HN 0.164 nan 8.300 nan 0.000 0.573 208 V N 8.179 127.595 119.914 -0.830 0.000 2.378 208 V HA 0.301 4.421 4.120 -0.000 0.000 0.288 208 V C -2.212 173.334 176.094 -0.912 0.000 1.016 208 V CA -1.993 59.868 62.300 -0.730 0.000 0.840 208 V CB 1.321 32.698 31.823 -0.745 0.000 0.994 208 V HN 0.632 nan 8.190 nan 0.000 0.431 209 P HA 0.188 nan 4.420 nan 0.000 0.266 209 P C -2.059 175.165 177.300 -0.128 0.000 1.215 209 P CA -1.180 61.814 63.100 -0.177 0.000 0.763 209 P CB 0.437 32.183 31.700 0.077 0.000 0.806 210 P HA -0.262 nan 4.420 nan 0.000 0.216 210 P C 1.521 178.949 177.300 0.214 0.000 1.154 210 P CA 1.900 64.997 63.100 -0.005 0.000 0.865 210 P CB -0.302 31.233 31.700 -0.275 0.000 0.789 211 S N -2.524 113.266 115.700 0.151 0.000 2.500 211 S HA -0.122 4.348 4.470 -0.000 0.000 0.239 211 S C 1.860 176.510 174.600 0.083 0.000 0.989 211 S CA 1.631 59.918 58.200 0.146 0.000 0.951 211 S CB -1.723 61.534 63.200 0.096 0.000 0.759 211 S HN 0.091 nan 8.310 nan 0.000 0.523 212 T N 2.006 116.591 114.554 0.051 0.000 2.995 212 T HA 0.220 4.570 4.350 -0.000 0.000 0.269 212 T C 0.535 175.235 174.700 0.000 0.000 1.091 212 T CA 0.391 62.496 62.100 0.009 0.000 1.128 212 T CB -0.314 68.535 68.868 -0.031 0.000 0.891 212 T HN 0.348 nan 8.240 nan 0.000 0.492 213 I N 2.897 123.481 120.570 0.023 0.000 2.363 213 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 213 I C 0.119 176.208 176.117 -0.047 0.000 1.075 213 I CA -0.649 60.647 61.300 -0.007 0.000 1.333 213 I CB 0.243 38.260 38.000 0.028 0.000 1.415 213 I HN 0.047 nan 8.210 nan 0.000 0.502 214 D N 6.577 126.951 120.400 -0.043 0.000 2.373 214 D HA 0.154 4.793 4.640 -0.000 0.000 0.227 214 D C 1.060 177.324 176.300 -0.059 0.000 1.091 214 D CA -0.398 53.574 54.000 -0.048 0.000 0.840 214 D CB 2.066 42.854 40.800 -0.019 0.000 1.060 214 D HN 0.236 nan 8.370 nan 0.000 0.502 215 V N 3.255 123.102 119.914 -0.112 0.000 2.568 215 V HA -0.234 3.885 4.120 -0.000 0.000 0.253 215 V C 2.197 178.271 176.094 -0.033 0.000 1.072 215 V CA 2.155 64.360 62.300 -0.158 0.000 1.084 215 V CB -0.527 31.126 31.823 -0.283 0.000 0.676 215 V HN 0.653 nan 8.190 nan 0.000 0.469 216 S N -0.899 114.803 115.700 0.003 0.000 2.660 216 S HA 0.076 4.546 4.470 -0.000 0.000 0.223 216 S C 1.533 176.175 174.600 0.070 0.000 0.963 216 S CA 0.200 58.437 58.200 0.062 0.000 0.932 216 S CB 0.012 63.235 63.200 0.038 0.000 0.775 216 S HN 0.461 nan 8.310 nan 0.000 0.531 217 R N 0.098 120.634 120.500 0.059 0.000 2.555 217 R HA 0.329 4.668 4.340 -0.000 0.000 0.312 217 R C -0.108 176.230 176.300 0.063 0.000 0.938 217 R CA -0.060 56.071 56.100 0.053 0.000 1.112 217 R CB 0.113 30.428 30.300 0.024 0.000 1.535 217 R HN 0.393 nan 8.270 nan 0.000 0.525 218 V N 2.642 122.607 119.914 0.085 0.000 2.585 218 V HA 0.053 4.172 4.120 -0.000 0.000 0.296 218 V C 0.131 176.335 176.094 0.183 0.000 1.035 218 V CA -0.085 62.282 62.300 0.111 0.000 1.084 218 V CB 0.532 32.402 31.823 0.079 0.000 0.953 218 V HN 0.210 nan 8.190 nan 0.000 0.483 219 E N 7.849 128.109 120.200 0.100 0.000 2.480 219 E HA 0.074 4.423 4.350 -0.000 0.000 0.258 219 E C -1.649 174.980 176.600 0.049 0.000 0.984 219 E CA -0.894 55.533 56.400 0.046 0.000 0.930 219 E CB 0.851 30.554 29.700 0.004 0.000 0.936 219 E HN 0.637 nan 8.360 nan 0.000 0.466 220 P HA -0.094 nan 4.420 nan 0.000 0.220 220 P C -0.271 176.881 177.300 -0.247 0.000 1.148 220 P CA 0.884 63.800 63.100 -0.308 0.000 0.803 220 P CB 0.318 31.748 31.700 -0.450 0.000 0.782 221 L N -1.181 119.868 121.223 -0.290 0.000 2.549 221 L HA 0.475 4.815 4.340 -0.000 0.000 0.260 221 L C -2.889 173.878 176.870 -0.171 0.000 1.109 221 L CA -1.999 52.637 54.840 -0.340 0.000 0.900 221 L CB 1.121 42.726 42.059 -0.757 0.000 1.119 221 L HN -0.269 nan 8.230 nan 0.000 0.471 222 P HA 0.351 nan 4.420 nan 0.000 0.271 222 P C -2.509 174.779 177.300 -0.020 0.000 1.233 222 P CA -0.748 62.331 63.100 -0.034 0.000 0.789 222 P CB -0.247 31.450 31.700 -0.005 0.000 0.951 223 P HA 0.044 nan 4.420 nan 0.000 0.286 223 P C -0.552 176.773 177.300 0.042 0.000 1.293 223 P CA -0.078 63.039 63.100 0.028 0.000 0.770 223 P CB 0.416 32.130 31.700 0.024 0.000 1.206 224 H N 0.403 119.429 119.070 -0.073 0.000 2.580 224 H HA 0.300 4.856 4.556 -0.000 0.000 0.322 224 H C -1.117 174.138 175.328 -0.121 0.000 1.082 224 H CA -0.678 55.280 56.048 -0.151 0.000 1.383 224 H CB 0.849 30.366 29.762 -0.409 0.000 1.450 224 H HN 0.130 nan 8.280 nan 0.000 0.505 225 L N 8.520 129.420 121.223 -0.537 0.000 2.301 225 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 225 L C -2.736 173.745 176.870 -0.648 0.000 1.022 225 L CA -2.029 52.540 54.840 -0.451 0.000 0.854 225 L CB 1.113 43.064 42.059 -0.180 0.000 1.226 225 L HN 0.513 nan 8.230 nan 0.000 0.429 226 P HA 0.090 nan 4.420 nan 0.000 0.268 226 P C -0.776 176.410 177.300 -0.190 0.000 1.204 226 P CA 0.090 62.952 63.100 -0.397 0.000 0.768 226 P CB 0.566 32.177 31.700 -0.147 0.000 0.842 227 L N 3.715 124.869 121.223 -0.114 0.000 2.287 227 L HA 0.222 4.562 4.340 -0.000 0.000 0.280 227 L C 0.438 177.366 176.870 0.098 0.000 1.055 227 L CA -0.469 54.318 54.840 -0.089 0.000 0.863 227 L CB 0.205 42.131 42.059 -0.223 0.000 1.245 227 L HN 0.408 nan 8.230 nan 0.000 0.432 228 E N 2.583 122.862 120.200 0.131 0.000 2.415 228 E HA -0.032 4.318 4.350 -0.000 0.000 0.262 228 E C -0.106 176.682 176.600 0.314 0.000 1.038 228 E CA 0.193 56.697 56.400 0.173 0.000 0.921 228 E CB 0.772 30.540 29.700 0.114 0.000 0.950 228 E HN 0.453 nan 8.360 nan 0.000 0.438 229 E N 4.211 124.505 120.200 0.157 0.000 2.289 229 E HA 0.113 4.462 4.350 -0.000 0.000 0.278 229 E C -1.986 174.562 176.600 -0.088 0.000 1.032 229 E CA -2.040 54.347 56.400 -0.022 0.000 0.854 229 E CB 0.495 30.164 29.700 -0.053 0.000 1.046 229 E HN 0.188 nan 8.360 nan 0.000 0.409 230 P HA -0.040 nan 4.420 nan 0.000 0.264 230 P C -0.280 176.954 177.300 -0.111 0.000 1.183 230 P CA 0.127 63.124 63.100 -0.171 0.000 0.763 230 P CB 1.245 32.771 31.700 -0.290 0.000 0.807 231 A N 2.734 125.519 122.820 -0.059 0.000 1.970 231 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 231 A C 1.685 179.240 177.584 -0.049 0.000 1.170 231 A CA 1.233 53.244 52.037 -0.043 0.000 0.645 231 A CB -1.071 17.916 19.000 -0.021 0.000 0.816 231 A HN 0.468 nan 8.150 nan 0.000 0.447 232 D N -0.250 120.118 120.400 -0.054 0.000 2.381 232 D HA -0.183 4.457 4.640 -0.000 0.000 0.212 232 D C 0.683 176.950 176.300 -0.056 0.000 0.988 232 D CA 1.452 55.422 54.000 -0.051 0.000 0.942 232 D CB -0.249 40.517 40.800 -0.058 0.000 0.882 232 D HN 0.668 nan 8.370 nan 0.000 0.480 233 E N -3.744 116.415 120.200 -0.069 0.000 3.680 233 E HA -0.298 4.052 4.350 -0.000 0.000 0.309 233 E C 1.088 177.634 176.600 -0.090 0.000 0.793 233 E CA 0.437 56.794 56.400 -0.073 0.000 1.083 233 E CB -1.335 28.335 29.700 -0.049 0.000 1.548 233 E HN 0.438 nan 8.360 nan 0.000 0.456 234 G N -0.455 108.282 108.800 -0.105 0.000 2.159 234 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.170 234 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.170 234 G C 0.514 175.369 174.900 -0.074 0.000 1.007 234 G CA 0.307 45.337 45.100 -0.117 0.000 0.672 234 G HN 0.184 nan 8.290 nan 0.000 0.507 235 L N 1.233 122.423 121.223 -0.055 0.000 2.017 235 L HA 0.189 4.528 4.340 -0.000 0.000 0.208 235 L C 2.457 179.312 176.870 -0.024 0.000 1.073 235 L CA 3.151 57.972 54.840 -0.032 0.000 0.745 235 L CB -0.365 41.680 42.059 -0.023 0.000 0.894 235 L HN 0.443 nan 8.230 nan 0.000 0.432 236 E N -0.412 119.771 120.200 -0.029 0.000 2.058 236 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 236 E C 2.308 178.898 176.600 -0.017 0.000 0.997 236 E CA 1.761 58.148 56.400 -0.022 0.000 0.801 236 E CB -0.331 29.352 29.700 -0.029 0.000 0.746 236 E HN 0.606 nan 8.360 nan 0.000 0.450 237 L N 0.362 121.565 121.223 -0.033 0.000 1.989 237 L HA -0.165 4.174 4.340 -0.000 0.000 0.211 237 L C 2.518 179.380 176.870 -0.013 0.000 1.071 237 L CA 1.966 56.792 54.840 -0.023 0.000 0.749 237 L CB -0.874 41.145 42.059 -0.068 0.000 0.890 237 L HN 0.332 nan 8.230 nan 0.000 0.431 238 G N -1.505 107.282 108.800 -0.022 0.000 2.442 238 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.219 238 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.219 238 G C 1.429 176.334 174.900 0.008 0.000 1.141 238 G CA 1.208 46.300 45.100 -0.013 0.000 0.763 238 G HN 0.396 nan 8.290 nan 0.000 0.554 239 T N 0.749 115.314 114.554 0.018 0.000 2.674 239 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 239 T C 2.391 177.141 174.700 0.083 0.000 1.039 239 T CA 1.573 63.700 62.100 0.045 0.000 1.150 239 T CB -0.296 68.597 68.868 0.041 0.000 0.864 239 T HN 0.344 nan 8.240 nan 0.000 0.427 240 Q N 0.142 119.993 119.800 0.085 0.000 2.030 240 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 240 Q C 2.599 178.667 176.000 0.114 0.000 0.986 240 Q CA 1.361 57.257 55.803 0.154 0.000 0.843 240 Q CB -0.484 28.327 28.738 0.122 0.000 0.904 240 Q HN 0.309 nan 8.270 nan 0.000 0.420 241 V N 1.070 121.001 119.914 0.027 0.000 2.332 241 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 241 V C 2.150 178.259 176.094 0.025 0.000 1.055 241 V CA 1.608 63.884 62.300 -0.041 0.000 1.038 241 V CB -0.446 31.318 31.823 -0.098 0.000 0.651 241 V HN 0.362 nan 8.190 nan 0.000 0.450 242 L N -0.331 120.921 121.223 0.048 0.000 2.156 242 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 242 L C 2.289 179.244 176.870 0.142 0.000 1.095 242 L CA 1.529 56.417 54.840 0.081 0.000 0.770 242 L CB -0.574 41.525 42.059 0.067 0.000 0.914 242 L HN 0.366 nan 8.230 nan 0.000 0.439 243 D N 0.059 120.551 120.400 0.154 0.000 2.123 243 D HA -0.220 4.420 4.640 -0.000 0.000 0.200 243 D C 2.008 178.388 176.300 0.134 0.000 0.976 243 D CA 0.920 55.049 54.000 0.214 0.000 0.831 243 D CB -0.006 40.978 40.800 0.307 0.000 0.974 243 D HN 0.175 nan 8.370 nan 0.000 0.469 244 F N 0.948 120.697 119.950 -0.335 0.000 2.065 244 F HA -0.184 4.342 4.527 -0.000 0.000 0.298 244 F C 2.022 177.797 175.800 -0.041 0.000 1.112 244 F CA 1.480 59.135 58.000 -0.575 0.000 1.212 244 F CB -0.345 38.348 39.000 -0.512 0.000 0.975 244 F HN -0.018 nan 8.300 nan 0.000 0.476 245 L N -0.705 120.665 121.223 0.245 0.000 2.046 245 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 245 L C 2.722 179.644 176.870 0.086 0.000 1.077 245 L CA 1.702 56.639 54.840 0.161 0.000 0.747 245 L CB -1.203 40.917 42.059 0.102 0.000 0.896 245 L HN 0.301 nan 8.230 nan 0.000 0.432 246 H N -0.149 118.960 119.070 0.066 0.000 2.319 246 H HA -0.261 4.295 4.556 -0.001 0.000 0.299 246 H C 2.250 177.612 175.328 0.055 0.000 1.092 246 H CA 2.322 58.422 56.048 0.086 0.000 1.302 246 H CB -0.144 29.712 29.762 0.157 0.000 1.373 246 H HN 0.309 nan 8.280 nan 0.000 0.497 247 F N 0.571 120.524 119.950 0.005 0.000 2.095 247 F HA -0.236 4.291 4.527 -0.001 0.000 0.298 247 F C 1.908 177.571 175.800 -0.227 0.000 1.104 247 F CA 1.538 59.469 58.000 -0.115 0.000 1.232 247 F CB -0.643 38.240 39.000 -0.195 0.000 0.987 247 F HN 0.022 nan 8.300 nan 0.000 0.475 248 F N -0.130 119.794 119.950 -0.043 0.000 2.710 248 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 248 F C 1.854 177.668 175.800 0.023 0.000 1.137 248 F CA 0.512 58.517 58.000 0.010 0.000 1.444 248 F CB -0.420 38.575 39.000 -0.008 0.000 1.111 248 F HN -0.002 nan 8.300 nan 0.000 0.580 249 L N -1.449 119.720 121.223 -0.091 0.000 2.168 249 L HA -0.055 4.285 4.340 -0.000 0.000 0.203 249 L C 1.866 178.433 176.870 -0.505 0.000 1.078 249 L CA 0.951 55.557 54.840 -0.390 0.000 0.780 249 L CB -0.135 41.445 42.059 -0.797 0.000 0.939 249 L HN 0.156 nan 8.230 nan 0.000 0.451 250 H N -2.128 116.811 119.070 -0.218 0.000 3.457 250 H HA 0.214 4.769 4.556 -0.000 0.000 0.255 250 H C 1.159 176.359 175.328 -0.213 0.000 1.082 250 H CA 0.157 56.059 56.048 -0.244 0.000 1.189 250 H CB 0.768 30.279 29.762 -0.417 0.000 1.511 250 H HN 0.307 nan 8.280 nan 0.000 0.527 251 E N 0.142 120.206 120.200 -0.227 0.000 2.330 251 E HA 0.045 4.394 4.350 -0.000 0.000 0.200 251 E C -0.175 176.150 176.600 -0.458 0.000 0.922 251 E CA -0.221 55.995 56.400 -0.306 0.000 0.935 251 E CB 0.642 30.142 29.700 -0.333 0.000 0.917 251 E HN -0.015 nan 8.360 nan 0.000 0.491 252 F N 3.004 122.489 119.950 -0.775 0.000 2.472 252 F HA 0.108 4.634 4.527 -0.000 0.000 0.364 252 F C -0.107 175.563 175.800 -0.215 0.000 1.090 252 F CA -0.751 56.940 58.000 -0.516 0.000 1.188 252 F CB 0.617 39.355 39.000 -0.436 0.000 1.105 252 F HN -0.253 nan 8.300 nan 0.000 0.536 253 D N 3.856 123.796 120.400 -0.766 0.000 2.428 253 D HA 0.113 4.752 4.640 -0.000 0.000 0.221 253 D C 0.752 176.534 176.300 -0.863 0.000 1.123 253 D CA -0.061 53.595 54.000 -0.573 0.000 0.869 253 D CB 1.110 41.708 40.800 -0.337 0.000 1.032 253 D HN 0.562 nan 8.370 nan 0.000 0.506 254 S N 2.183 117.522 115.700 -0.602 0.000 2.522 254 S HA -0.084 4.385 4.470 -0.000 0.000 0.227 254 S C 0.996 175.493 174.600 -0.172 0.000 0.986 254 S CA 0.164 58.114 58.200 -0.416 0.000 0.929 254 S CB 0.212 63.442 63.200 0.050 0.000 0.769 254 S HN 0.323 nan 8.310 nan 0.000 0.529 255 D N 1.481 121.797 120.400 -0.141 0.000 2.317 255 D HA 0.111 4.751 4.640 -0.000 0.000 0.211 255 D C 1.712 177.962 176.300 -0.084 0.000 0.966 255 D CA 0.794 54.757 54.000 -0.061 0.000 0.876 255 D CB 0.124 40.901 40.800 -0.039 0.000 0.927 255 D HN 0.371 nan 8.370 nan 0.000 0.519 256 K N -0.496 119.806 120.400 -0.162 0.000 2.511 256 K HA 0.203 4.523 4.320 -0.000 0.000 0.206 256 K C 0.507 177.012 176.600 -0.160 0.000 1.333 256 K CA 0.141 56.346 56.287 -0.137 0.000 0.957 256 K CB 1.284 33.706 32.500 -0.131 0.000 1.172 256 K HN 0.158 nan 8.250 nan 0.000 0.547 257 Q N 0.599 120.235 119.800 -0.273 0.000 2.306 257 Q HA 0.554 4.893 4.340 -0.000 0.000 0.269 257 Q C -0.884 175.055 176.000 -0.102 0.000 1.053 257 Q CA -0.906 54.764 55.803 -0.220 0.000 0.879 257 Q CB 2.868 31.442 28.738 -0.272 0.000 1.344 257 Q HN -0.238 nan 8.270 nan 0.000 0.464 258 V N 1.673 121.608 119.914 0.036 0.000 2.531 258 V HA 0.319 4.438 4.120 -0.000 0.000 0.301 258 V C -0.716 175.311 176.094 -0.112 0.000 1.034 258 V CA -0.740 61.586 62.300 0.043 0.000 0.865 258 V CB 1.651 33.452 31.823 -0.037 0.000 0.995 258 V HN 0.591 nan 8.190 nan 0.000 0.424 259 I N 4.285 124.670 120.570 -0.308 0.000 2.578 259 I HA 0.264 4.433 4.170 -0.000 0.000 0.286 259 I C 0.619 176.500 176.117 -0.393 0.000 1.126 259 I CA 1.259 62.102 61.300 -0.762 0.000 1.380 259 I CB 0.604 38.224 38.000 -0.633 0.000 1.408 259 I HN 0.588 nan 8.210 nan 0.000 0.532 260 S N 6.185 121.684 115.700 -0.335 0.000 2.541 260 S HA 0.638 5.108 4.470 -0.000 0.000 0.280 260 S C 0.106 174.774 174.600 0.115 0.000 1.112 260 S CA -0.695 57.470 58.200 -0.058 0.000 0.925 260 S CB 1.099 64.273 63.200 -0.043 0.000 1.067 260 S HN 0.558 nan 8.310 nan 0.000 0.479 261 L N 3.736 125.023 121.223 0.106 0.000 2.959 261 L HA 0.320 4.659 4.340 -0.000 0.000 0.259 261 L C 0.627 177.663 176.870 0.276 0.000 1.185 261 L CA -0.037 54.932 54.840 0.215 0.000 0.998 261 L CB -0.258 41.852 42.059 0.084 0.000 1.337 261 L HN 0.511 nan 8.230 nan 0.000 0.555 262 N N 0.707 119.511 118.700 0.174 0.000 2.416 262 N HA 0.064 4.804 4.740 -0.000 0.000 0.177 262 N C 0.148 175.798 175.510 0.234 0.000 1.036 262 N CA 0.596 53.729 53.050 0.137 0.000 0.901 262 N CB 0.347 38.838 38.487 0.007 0.000 0.976 262 N HN 0.201 nan 8.380 nan 0.000 0.444 263 R N -0.465 120.123 120.500 0.146 0.000 2.604 263 R HA 0.330 4.669 4.340 -0.000 0.000 0.270 263 R C -2.728 173.291 176.300 -0.468 0.000 1.052 263 R CA -1.499 54.514 56.100 -0.146 0.000 0.902 263 R CB 2.316 32.550 30.300 -0.110 0.000 1.233 263 R HN -0.030 nan 8.270 nan 0.000 0.455 264 P HA 0.274 nan 4.420 nan 0.000 0.274 264 P C 0.294 177.421 177.300 -0.288 0.000 1.256 264 P CA 0.266 62.935 63.100 -0.718 0.000 0.795 264 P CB 0.728 31.949 31.700 -0.798 0.000 1.038 265 G N 0.140 108.835 108.800 -0.175 0.000 2.593 265 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.237 265 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.237 265 G C -0.655 174.255 174.900 0.016 0.000 1.312 265 G CA -0.446 44.605 45.100 -0.080 0.000 0.896 265 G HN 0.594 nan 8.290 nan 0.000 0.574 266 I N 1.292 121.878 120.570 0.026 0.000 2.353 266 I HA 0.387 4.557 4.170 -0.000 0.000 0.293 266 I C 0.337 176.465 176.117 0.019 0.000 0.992 266 I CA -0.298 61.049 61.300 0.080 0.000 1.268 266 I CB 1.530 39.566 38.000 0.060 0.000 1.387 266 I HN 0.439 nan 8.210 nan 0.000 0.478 267 T N 3.938 118.507 114.554 0.026 0.000 2.756 267 T HA 0.235 4.584 4.350 -0.000 0.000 0.290 267 T C 0.374 175.033 174.700 -0.068 0.000 0.985 267 T CA -0.569 61.500 62.100 -0.052 0.000 0.955 267 T CB 0.923 69.739 68.868 -0.087 0.000 0.930 267 T HN 0.733 nan 8.240 nan 0.000 0.451 268 T N 1.278 115.778 114.554 -0.090 0.000 2.918 268 T HA 0.266 4.615 4.350 -0.000 0.000 0.302 268 T C 1.374 175.997 174.700 -0.128 0.000 1.045 268 T CA -0.632 61.409 62.100 -0.098 0.000 1.114 268 T CB 0.839 69.654 68.868 -0.089 0.000 0.965 268 T HN 0.493 nan 8.240 nan 0.000 0.540 269 K N 0.947 121.287 120.400 -0.100 0.000 2.103 269 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 269 K C 2.270 178.797 176.600 -0.121 0.000 1.048 269 K CA 1.770 58.006 56.287 -0.085 0.000 0.930 269 K CB -0.131 32.356 32.500 -0.021 0.000 0.716 269 K HN 0.866 nan 8.250 nan 0.000 0.444 270 E N 1.442 121.581 120.200 -0.101 0.000 2.058 270 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 270 E C 1.832 178.355 176.600 -0.129 0.000 0.997 270 E CA 1.789 58.132 56.400 -0.095 0.000 0.801 270 E CB 0.057 29.713 29.700 -0.073 0.000 0.746 270 E HN 0.480 nan 8.360 nan 0.000 0.450 271 E N 0.068 120.178 120.200 -0.151 0.000 2.347 271 E HA -0.146 4.203 4.350 -0.000 0.000 0.196 271 E C 1.955 178.415 176.600 -0.233 0.000 1.008 271 E CA 0.661 56.962 56.400 -0.165 0.000 0.852 271 E CB -0.102 29.510 29.700 -0.146 0.000 0.783 271 E HN 0.364 nan 8.360 nan 0.000 0.505 272 L N 0.294 121.309 121.223 -0.346 0.000 2.554 272 L HA 0.170 4.509 4.340 -0.000 0.000 0.225 272 L C -0.179 176.443 176.870 -0.414 0.000 1.104 272 L CA 0.107 54.615 54.840 -0.554 0.000 0.866 272 L CB -0.031 41.350 42.059 -1.130 0.000 1.047 272 L HN 0.004 nan 8.230 nan 0.000 0.468 273 D N -1.609 118.656 120.400 -0.224 0.000 2.947 273 D HA -0.192 4.448 4.640 -0.000 0.000 0.224 273 D C -0.538 175.765 176.300 0.004 0.000 1.132 273 D CA 0.394 54.346 54.000 -0.080 0.000 0.801 273 D CB -0.795 39.983 40.800 -0.037 0.000 1.097 273 D HN 0.264 nan 8.370 nan 0.000 0.431 274 W N 1.501 122.508 121.300 -0.488 0.000 2.220 274 W HA 0.318 4.978 4.660 -0.000 0.000 0.380 274 W C 0.596 176.766 176.519 -0.582 0.000 0.682 274 W CA -0.619 56.094 57.345 -1.052 0.000 2.400 274 W CB -0.878 28.028 29.460 -0.923 0.000 1.825 274 W HN -0.040 nan 8.180 nan 0.000 0.687 275 T N -3.333 111.168 114.554 -0.088 0.000 2.944 275 T HA 0.261 4.611 4.350 -0.000 0.000 0.284 275 T C 1.334 176.124 174.700 0.151 0.000 1.010 275 T CA -0.769 61.356 62.100 0.042 0.000 1.025 275 T CB 2.484 71.367 68.868 0.024 0.000 1.079 275 T HN 0.134 nan 8.240 nan 0.000 0.516 276 K N 0.421 120.895 120.400 0.123 0.000 2.160 276 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 276 K C 2.156 178.829 176.600 0.121 0.000 1.047 276 K CA 1.520 57.882 56.287 0.126 0.000 0.930 276 K CB -0.463 32.089 32.500 0.086 0.000 0.720 276 K HN 0.559 nan 8.250 nan 0.000 0.450 277 S N 0.221 115.982 115.700 0.102 0.000 2.402 277 S HA -0.099 4.370 4.470 -0.000 0.000 0.229 277 S C 1.886 176.576 174.600 0.150 0.000 1.021 277 S CA 1.087 59.350 58.200 0.105 0.000 0.974 277 S CB -0.070 63.170 63.200 0.067 0.000 0.800 277 S HN 0.522 nan 8.310 nan 0.000 0.484 278 A N 1.283 124.201 122.820 0.164 0.000 1.970 278 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 278 A C 1.962 179.708 177.584 0.270 0.000 1.170 278 A CA 0.877 53.046 52.037 0.219 0.000 0.645 278 A CB -0.354 18.789 19.000 0.239 0.000 0.816 278 A HN 0.467 nan 8.150 nan 0.000 0.447 279 E N 0.063 120.405 120.200 0.237 0.000 2.051 279 E HA -0.202 4.147 4.350 -0.000 0.000 0.192 279 E C 1.366 178.011 176.600 0.074 0.000 0.991 279 E CA 1.354 57.811 56.400 0.095 0.000 0.799 279 E CB -0.122 29.629 29.700 0.085 0.000 0.748 279 E HN 0.506 nan 8.360 nan 0.000 0.449 280 D N -0.046 120.421 120.400 0.112 0.000 2.117 280 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 280 D C 1.649 178.011 176.300 0.104 0.000 0.987 280 D CA 0.716 54.769 54.000 0.088 0.000 0.829 280 D CB -0.358 40.497 40.800 0.092 0.000 0.961 280 D HN 0.102 nan 8.370 nan 0.000 0.460 281 F N 1.632 121.594 119.950 0.020 0.000 2.102 281 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 281 F C 2.236 178.038 175.800 0.003 0.000 1.105 281 F CA 1.732 59.743 58.000 0.018 0.000 1.239 281 F CB -0.149 38.872 39.000 0.035 0.000 0.991 281 F HN -0.058 nan 8.300 nan 0.000 0.474 282 A N 0.726 123.689 122.820 0.239 0.000 1.908 282 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 282 A C 2.347 179.897 177.584 -0.056 0.000 1.181 282 A CA 1.931 54.021 52.037 0.088 0.000 0.627 282 A CB -0.976 18.054 19.000 0.049 0.000 0.818 282 A HN 0.526 nan 8.150 nan 0.000 0.445 283 R N -1.175 119.290 120.500 -0.058 0.000 2.081 283 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 283 R C 1.771 178.013 176.300 -0.096 0.000 1.131 283 R CA 1.829 57.885 56.100 -0.074 0.000 0.960 283 R CB -0.271 29.998 30.300 -0.051 0.000 0.856 283 R HN 0.388 nan 8.270 nan 0.000 0.436 284 M N 0.661 120.183 119.600 -0.131 0.000 2.549 284 M HA -0.051 4.428 4.480 -0.000 0.000 0.260 284 M C 0.918 177.082 176.300 -0.227 0.000 1.076 284 M CA 0.973 56.172 55.300 -0.167 0.000 1.090 284 M CB -0.653 31.837 32.600 -0.183 0.000 1.418 284 M HN 0.118 nan 8.290 nan 0.000 0.486 285 N N -0.215 118.326 118.700 -0.266 0.000 2.214 285 N HA 0.203 4.943 4.740 -0.000 0.000 0.214 285 N C 1.136 176.568 175.510 -0.130 0.000 1.132 285 N CA 0.739 53.632 53.050 -0.260 0.000 0.856 285 N CB 0.539 38.782 38.487 -0.407 0.000 1.020 285 N HN 0.462 nan 8.380 nan 0.000 0.509 286 G N 0.237 108.977 108.800 -0.101 0.000 2.363 286 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.238 286 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.238 286 G C 0.206 175.073 174.900 -0.054 0.000 1.062 286 G CA 0.372 45.433 45.100 -0.065 0.000 0.629 286 G HN 0.490 nan 8.290 nan 0.000 0.514 287 E N 0.302 120.469 120.200 -0.054 0.000 2.376 287 E HA 0.586 4.936 4.350 -0.000 0.000 0.254 287 E C 0.296 176.845 176.600 -0.085 0.000 1.213 287 E CA -0.122 56.249 56.400 -0.049 0.000 0.945 287 E CB 0.629 30.317 29.700 -0.021 0.000 1.057 287 E HN 0.253 nan 8.360 nan 0.000 0.479 288 K N 1.342 121.673 120.400 -0.116 0.000 2.723 288 K HA 0.243 4.562 4.320 -0.000 0.000 0.229 288 K C -1.501 174.900 176.600 -0.332 0.000 1.022 288 K CA -0.356 55.804 56.287 -0.211 0.000 1.045 288 K CB 0.853 33.283 32.500 -0.118 0.000 1.227 288 K HN 0.394 nan 8.250 nan 0.000 0.516 289 V N 0.366 120.008 119.914 -0.453 0.000 2.547 289 V HA 0.609 4.729 4.120 -0.000 0.000 0.299 289 V C -0.818 174.752 176.094 -0.873 0.000 1.040 289 V CA -0.496 61.448 62.300 -0.594 0.000 0.913 289 V CB 1.505 32.990 31.823 -0.563 0.000 0.992 289 V HN 0.618 nan 8.190 nan 0.000 0.449 290 H N 4.510 123.250 119.070 -0.549 0.000 2.589 290 H HA 0.442 4.998 4.556 -0.001 0.000 0.335 290 H C -1.458 173.581 175.328 -0.481 0.000 1.019 290 H CA -0.296 55.519 56.048 -0.389 0.000 1.213 290 H CB 1.733 31.392 29.762 -0.173 0.000 1.472 290 H HN 0.836 nan 8.280 nan 0.000 0.508 291 Y N 1.915 122.248 120.300 0.056 0.000 2.722 291 Y HA 0.106 4.655 4.550 -0.000 0.000 0.314 291 Y C 1.534 177.502 175.900 0.113 0.000 1.008 291 Y CA -0.469 57.652 58.100 0.036 0.000 1.294 291 Y CB 0.415 38.887 38.460 0.019 0.000 1.231 291 Y HN 0.466 nan 8.280 nan 0.000 0.558 292 Q N -0.557 119.401 119.800 0.264 0.000 2.204 292 Q HA -0.034 4.306 4.340 -0.000 0.000 0.198 292 Q C 0.225 176.460 176.000 0.392 0.000 0.946 292 Q CA 0.808 56.775 55.803 0.274 0.000 0.859 292 Q CB 0.759 29.633 28.738 0.226 0.000 0.946 292 Q HN 0.575 nan 8.270 nan 0.000 0.474 293 W N 1.156 122.538 121.300 0.137 0.000 2.517 293 W HA 0.304 4.964 4.660 -0.000 0.000 0.301 293 W C -1.466 175.146 176.519 0.155 0.000 1.002 293 W CA -1.050 56.389 57.345 0.156 0.000 1.415 293 W CB 0.966 30.469 29.460 0.072 0.000 1.275 293 W HN -0.157 nan 8.180 nan 0.000 0.413 294 C N 6.332 125.668 119.300 0.060 0.000 2.347 294 C HA 0.548 5.007 4.460 -0.000 0.000 0.353 294 C C 0.435 175.448 174.990 0.039 0.000 1.273 294 C CA -0.142 58.973 59.018 0.163 0.000 1.861 294 C CB -0.416 27.535 27.740 0.353 0.000 2.420 294 C HN 0.425 nan 8.230 nan 0.000 0.542 295 I N 2.745 123.386 120.570 0.118 0.000 2.439 295 I HA 0.307 4.477 4.170 -0.000 0.000 0.285 295 I C 0.012 176.253 176.117 0.206 0.000 1.021 295 I CA -0.123 61.205 61.300 0.047 0.000 1.091 295 I CB 1.160 39.146 38.000 -0.025 0.000 1.242 295 I HN 0.655 nan 8.210 nan 0.000 0.439 296 E N 5.324 125.623 120.200 0.165 0.000 2.301 296 E HA 0.117 4.466 4.350 -0.000 0.000 0.275 296 E C -0.981 175.695 176.600 0.126 0.000 1.030 296 E CA -0.513 56.019 56.400 0.220 0.000 0.852 296 E CB 1.197 30.906 29.700 0.016 0.000 1.060 296 E HN 0.493 nan 8.360 nan 0.000 0.401 297 D N 4.012 124.519 120.400 0.178 0.000 2.225 297 D HA 0.129 4.768 4.640 -0.000 0.000 0.248 297 D C -1.815 174.511 176.300 0.043 0.000 1.096 297 D CA -2.039 52.049 54.000 0.147 0.000 0.863 297 D CB 1.668 42.600 40.800 0.221 0.000 1.156 297 D HN 0.262 nan 8.370 nan 0.000 0.450 298 P HA -0.063 nan 4.420 nan 0.000 0.222 298 P C -0.011 176.950 177.300 -0.565 0.000 1.147 298 P CA 1.131 63.997 63.100 -0.390 0.000 0.790 298 P CB 0.153 31.465 31.700 -0.646 0.000 0.780 299 Y N -2.444 117.915 120.300 0.098 0.000 2.435 299 Y HA 0.227 4.776 4.550 -0.000 0.000 0.270 299 Y C 0.832 176.771 175.900 0.064 0.000 1.093 299 Y CA -0.470 57.667 58.100 0.062 0.000 1.226 299 Y CB -0.121 38.359 38.460 0.034 0.000 1.289 299 Y HN -0.230 nan 8.280 nan 0.000 0.529 300 E N 1.918 122.242 120.200 0.207 0.000 2.223 300 E HA 0.151 4.501 4.350 -0.000 0.000 0.282 300 E C -0.763 175.929 176.600 0.154 0.000 1.046 300 E CA -0.438 56.060 56.400 0.165 0.000 0.857 300 E CB 1.750 31.549 29.700 0.165 0.000 1.055 300 E HN 0.070 nan 8.360 nan 0.000 0.409 301 L N 4.538 125.840 121.223 0.132 0.000 2.410 301 L HA 0.046 4.385 4.340 -0.000 0.000 0.273 301 L C 0.835 177.809 176.870 0.174 0.000 1.144 301 L CA 0.454 55.372 54.840 0.129 0.000 0.863 301 L CB -0.187 41.930 42.059 0.096 0.000 1.140 301 L HN 0.519 nan 8.230 nan 0.000 0.463 302 N N 2.360 121.207 118.700 0.245 0.000 2.753 302 N HA -0.259 4.480 4.740 -0.000 0.000 0.251 302 N C -0.477 175.240 175.510 0.346 0.000 1.097 302 N CA 1.014 54.297 53.050 0.388 0.000 0.786 302 N CB -1.014 37.643 38.487 0.284 0.000 1.137 302 N HN 0.510 nan 8.380 nan 0.000 0.566 303 L N 1.483 122.880 121.223 0.290 0.000 2.278 303 L HA 0.367 4.706 4.340 -0.000 0.000 0.287 303 L C 0.209 177.214 176.870 0.225 0.000 1.072 303 L CA -0.384 54.576 54.840 0.199 0.000 0.819 303 L CB 0.708 42.868 42.059 0.168 0.000 1.176 303 L HN 0.070 nan 8.230 nan 0.000 0.435 304 N N 3.938 122.644 118.700 0.010 0.000 2.414 304 N HA 0.095 4.835 4.740 -0.000 0.000 0.256 304 N C 0.581 176.103 175.510 0.020 0.000 1.029 304 N CA -0.255 52.737 53.050 -0.097 0.000 0.948 304 N CB 1.519 39.703 38.487 -0.505 0.000 1.102 304 N HN 0.482 nan 8.380 nan 0.000 0.496 305 V N 2.597 122.566 119.914 0.091 0.000 3.305 305 V HA 0.037 4.157 4.120 -0.000 0.000 0.269 305 V C 1.721 177.849 176.094 0.056 0.000 1.157 305 V CA 1.614 63.966 62.300 0.087 0.000 1.157 305 V CB -0.428 31.444 31.823 0.082 0.000 0.772 305 V HN 0.778 nan 8.190 nan 0.000 0.498 306 G N 0.561 109.400 108.800 0.065 0.000 3.434 306 G HA2 0.043 4.003 3.960 -0.000 0.000 0.258 306 G HA3 0.043 4.003 3.960 -0.000 0.000 0.258 306 G C 1.396 176.330 174.900 0.057 0.000 1.128 306 G CA -0.082 45.081 45.100 0.106 0.000 0.792 306 G HN 0.566 nan 8.290 nan 0.000 0.539 307 R N -0.105 120.395 120.500 0.000 0.000 2.241 307 R HA -0.002 4.338 4.340 -0.000 0.000 0.224 307 R C 0.651 176.957 176.300 0.009 0.000 1.101 307 R CA 1.013 57.091 56.100 -0.037 0.000 0.995 307 R CB -0.175 30.084 30.300 -0.068 0.000 0.870 307 R HN 0.096 nan 8.270 nan 0.000 0.463 308 N N 0.834 119.531 118.700 -0.005 0.000 2.235 308 N HA 0.090 4.829 4.740 -0.000 0.000 0.209 308 N C -0.689 174.767 175.510 -0.090 0.000 1.122 308 N CA 0.080 53.104 53.050 -0.042 0.000 0.845 308 N CB 1.218 39.693 38.487 -0.020 0.000 1.004 308 N HN -0.023 nan 8.380 nan 0.000 0.499 309 V N 2.453 122.330 119.914 -0.062 0.000 2.322 309 V HA 0.109 4.228 4.120 -0.000 0.000 0.258 309 V C 0.914 176.926 176.094 -0.136 0.000 1.074 309 V CA -0.522 61.741 62.300 -0.061 0.000 0.909 309 V CB -0.014 31.825 31.823 0.026 0.000 1.090 309 V HN 0.216 nan 8.190 nan 0.000 0.486 310 T N 3.550 117.946 114.554 -0.264 0.000 2.766 310 T HA 0.242 4.592 4.350 -0.000 0.000 0.295 310 T C -1.451 173.184 174.700 -0.108 0.000 1.024 310 T CA -1.491 60.383 62.100 -0.375 0.000 1.018 310 T CB 0.894 69.547 68.868 -0.358 0.000 1.002 310 T HN 0.336 nan 8.240 nan 0.000 0.532 311 P HA -0.096 nan 4.420 nan 0.000 0.216 311 P C 1.370 178.680 177.300 0.018 0.000 1.154 311 P CA 1.012 64.129 63.100 0.030 0.000 0.865 311 P CB -0.125 31.601 31.700 0.044 0.000 0.789 312 L N -1.370 119.843 121.223 -0.017 0.000 2.270 312 L HA -0.014 4.326 4.340 -0.000 0.000 0.210 312 L C 2.155 179.024 176.870 -0.001 0.000 1.104 312 L CA 1.577 56.407 54.840 -0.016 0.000 0.804 312 L CB -0.787 41.241 42.059 -0.053 0.000 0.937 312 L HN -0.144 nan 8.230 nan 0.000 0.450 313 K N -0.784 119.606 120.400 -0.016 0.000 2.228 313 K HA -0.033 4.286 4.320 -0.000 0.000 0.202 313 K C 2.206 178.847 176.600 0.068 0.000 1.051 313 K CA 0.332 56.646 56.287 0.046 0.000 0.960 313 K CB 0.001 32.494 32.500 -0.011 0.000 0.743 313 K HN 0.120 nan 8.250 nan 0.000 0.458 314 R N 1.373 121.888 120.500 0.026 0.000 2.073 314 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 314 R C 1.216 177.538 176.300 0.038 0.000 1.134 314 R CA 1.898 58.007 56.100 0.015 0.000 0.952 314 R CB -0.125 30.229 30.300 0.091 0.000 0.850 314 R HN 0.179 nan 8.270 nan 0.000 0.433 315 D N -0.095 120.352 120.400 0.078 0.000 2.144 315 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 315 D C 1.640 178.025 176.300 0.143 0.000 0.984 315 D CA 0.959 55.014 54.000 0.092 0.000 0.834 315 D CB -0.482 40.365 40.800 0.080 0.000 0.955 315 D HN 0.241 nan 8.370 nan 0.000 0.465 316 F N 0.885 120.826 119.950 -0.014 0.000 2.046 316 F HA -0.259 4.268 4.527 -0.000 0.000 0.297 316 F C 2.301 178.139 175.800 0.064 0.000 1.123 316 F CA 0.709 58.721 58.000 0.020 0.000 1.199 316 F CB -0.107 38.907 39.000 0.023 0.000 0.972 316 F HN -0.076 nan 8.300 nan 0.000 0.474 317 L N 1.293 122.528 121.223 0.021 0.000 1.997 317 L HA -0.282 4.058 4.340 -0.000 0.000 0.216 317 L C 2.626 179.465 176.870 -0.052 0.000 1.074 317 L CA 2.154 56.925 54.840 -0.115 0.000 0.763 317 L CB -0.982 40.902 42.059 -0.292 0.000 0.890 317 L HN 0.175 nan 8.230 nan 0.000 0.434 318 R N -0.352 120.124 120.500 -0.041 0.000 2.096 318 R HA -0.236 4.104 4.340 -0.000 0.000 0.240 318 R C 2.537 178.848 176.300 0.018 0.000 1.139 318 R CA 1.912 58.016 56.100 0.006 0.000 0.952 318 R CB -0.600 29.722 30.300 0.035 0.000 0.854 318 R HN 0.448 nan 8.270 nan 0.000 0.436 319 R N -0.063 120.434 120.500 -0.006 0.000 2.105 319 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 319 R C 1.809 178.041 176.300 -0.113 0.000 1.135 319 R CA 1.773 57.837 56.100 -0.059 0.000 0.967 319 R CB -0.738 29.518 30.300 -0.074 0.000 0.861 319 R HN 0.492 nan 8.270 nan 0.000 0.442 320 H N 0.545 119.562 119.070 -0.088 0.000 2.428 320 H HA 0.011 4.567 4.556 -0.001 0.000 0.296 320 H C 2.159 177.614 175.328 0.213 0.000 1.062 320 H CA 1.267 57.297 56.048 -0.031 0.000 1.350 320 H CB 0.097 29.702 29.762 -0.261 0.000 1.403 320 H HN 0.198 nan 8.280 nan 0.000 0.533 321 L N 0.413 121.806 121.223 0.283 0.000 2.201 321 L HA -0.127 4.212 4.340 -0.000 0.000 0.212 321 L C 2.214 179.154 176.870 0.118 0.000 1.105 321 L CA 0.958 55.927 54.840 0.216 0.000 0.775 321 L CB -0.100 42.041 42.059 0.135 0.000 0.913 321 L HN 0.256 nan 8.230 nan 0.000 0.440 322 E N 0.055 120.310 120.200 0.091 0.000 2.051 322 E HA -0.224 4.125 4.350 -0.000 0.000 0.189 322 E C 2.089 178.736 176.600 0.079 0.000 0.979 322 E CA 0.788 57.231 56.400 0.071 0.000 0.803 322 E CB 0.021 29.755 29.700 0.055 0.000 0.761 322 E HN 0.274 nan 8.360 nan 0.000 0.451 323 K N 1.075 121.524 120.400 0.083 0.000 2.103 323 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 323 K C 2.101 178.776 176.600 0.125 0.000 1.048 323 K CA 1.254 57.594 56.287 0.088 0.000 0.930 323 K CB -0.132 32.407 32.500 0.066 0.000 0.716 323 K HN 0.093 nan 8.250 nan 0.000 0.444 324 A N 1.601 124.529 122.820 0.181 0.000 2.024 324 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 324 A C 1.899 179.487 177.584 0.007 0.000 1.164 324 A CA 1.772 53.879 52.037 0.116 0.000 0.643 324 A CB -0.442 18.547 19.000 -0.018 0.000 0.806 324 A HN 0.556 nan 8.150 nan 0.000 0.451 325 R N -0.429 120.088 120.500 0.027 0.000 2.276 325 R HA 0.143 4.483 4.340 -0.000 0.000 0.196 325 R C 0.592 176.912 176.300 0.034 0.000 0.961 325 R CA 1.155 57.270 56.100 0.024 0.000 1.024 325 R CB -0.354 29.977 30.300 0.052 0.000 0.940 325 R HN 0.346 nan 8.270 nan 0.000 0.480 326 D N 0.430 120.855 120.400 0.042 0.000 2.301 326 D HA -0.047 4.593 4.640 -0.000 0.000 0.206 326 D C 0.956 177.275 176.300 0.031 0.000 0.979 326 D CA 1.621 55.643 54.000 0.037 0.000 0.874 326 D CB 0.286 41.111 40.800 0.041 0.000 0.968 326 D HN 0.421 nan 8.370 nan 0.000 0.510 327 T N -1.931 112.646 114.554 0.038 0.000 3.145 327 T HA 0.486 4.836 4.350 -0.000 0.000 0.255 327 T C 0.890 175.605 174.700 0.024 0.000 1.039 327 T CA 0.267 62.388 62.100 0.036 0.000 0.928 327 T CB 0.091 68.993 68.868 0.056 0.000 1.029 327 T HN 0.134 nan 8.240 nan 0.000 0.554 328 A N 1.830 124.654 122.820 0.007 0.000 2.312 328 A HA -0.013 4.307 4.320 -0.000 0.000 0.286 328 A C 0.933 178.501 177.584 -0.026 0.000 1.425 328 A CA 0.434 52.459 52.037 -0.020 0.000 0.748 328 A CB -2.420 16.568 19.000 -0.020 0.000 1.126 328 A HN 1.111 nan 8.150 nan 0.000 0.368 329 L N -1.064 120.135 121.223 -0.040 0.000 3.678 329 L HA -0.273 4.067 4.340 -0.000 0.000 0.425 329 L C 1.195 178.174 176.870 0.181 0.000 1.240 329 L CA 1.861 56.716 54.840 0.024 0.000 0.876 329 L CB -2.458 39.527 42.059 -0.122 0.000 1.766 329 L HN 1.498 nan 8.230 nan 0.000 0.917 330 L N -2.381 118.927 121.223 0.141 0.000 4.560 330 L HA -0.297 4.043 4.340 -0.000 0.000 0.415 330 L C 1.358 178.242 176.870 0.023 0.000 1.123 330 L CA 1.139 56.032 54.840 0.088 0.000 0.991 330 L CB -2.007 40.108 42.059 0.092 0.000 2.127 330 L HN 0.679 nan 8.230 nan 0.000 0.765 331 T N -3.860 110.695 114.554 0.003 0.000 3.054 331 T HA 0.430 4.780 4.350 -0.000 0.000 0.255 331 T C 0.580 175.266 174.700 -0.024 0.000 1.035 331 T CA -0.058 62.022 62.100 -0.032 0.000 0.941 331 T CB 0.296 69.126 68.868 -0.062 0.000 1.026 331 T HN 0.283 nan 8.240 nan 0.000 0.533 332 I N 3.059 123.625 120.570 -0.008 0.000 2.405 332 I HA 0.512 4.682 4.170 -0.000 0.000 0.280 332 I C -0.397 175.721 176.117 0.002 0.000 1.027 332 I CA -1.045 60.252 61.300 -0.005 0.000 1.161 332 I CB 1.540 39.538 38.000 -0.003 0.000 1.300 332 I HN 0.159 nan 8.210 nan 0.000 0.463 333 V N 0.000 119.913 119.914 -0.002 0.000 2.409 333 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 333 V CA 0.000 62.300 62.300 0.001 0.000 1.235 333 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 333 V HN 0.000 nan 8.190 nan 0.000 0.556