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 2vhi_1_B DATA FIRST_RESID 8 DATA SEQUENCE NLNDCLEKHL PPDELKEVKR ILYGVEEDQT LELPTSAKDI AEQNGFDIKG DATA SEQUENCE YRFTAREEQT RKRRIVRVGA IQNSIVIPTT APIEKQREAI WNKVKTMIKA DATA SEQUENCE AAEAGCNIVC TQEAWTMPFA FCTREKFPWC EFAEEAENGP TTKMLAELAK DATA SEQUENCE AYNMVIIHSI LERDMEHGET IWNTAVVISN SGRYLGKHRK NHIPRVGDFN DATA SEQUENCE ESTYYMEGNT GHPVFETEFG KLAVNICYGR HHPQNWMMFG LNGAEIVFNP DATA SEQUENCE SATIGRLSEP LWSIEARNAA IANSYFTVPI NRVGTEQFPN EYTSGDGNKA DATA SEQUENCE HKEFGPFYGS SYVAAPDGSR TPSLSRDKDG LLVVELDLNL CRQVKDFWGF DATA SEQUENCE RMTQRVPLYA ESFKKASEHG FKPQIIKET 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.576 175.510 0.110 0.000 1.280 8 N CA 0.000 53.116 53.050 0.111 0.000 0.885 8 N CB 0.000 38.553 38.487 0.110 0.000 1.341 9 L N 3.399 124.693 121.223 0.118 0.000 2.089 9 L HA -0.141 4.199 4.340 -0.000 0.000 0.213 9 L C 1.772 178.727 176.870 0.142 0.000 1.079 9 L CA 2.267 57.179 54.840 0.120 0.000 0.758 9 L CB -0.394 41.737 42.059 0.120 0.000 0.891 9 L HN 0.657 nan 8.230 nan 0.000 0.433 10 N N -0.423 118.378 118.700 0.169 0.000 2.084 10 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 10 N C 1.565 177.105 175.510 0.050 0.000 1.030 10 N CA 1.847 54.954 53.050 0.095 0.000 0.849 10 N CB -0.240 38.276 38.487 0.048 0.000 1.012 10 N HN 0.418 nan 8.380 nan 0.000 0.423 11 D N -0.542 119.900 120.400 0.071 0.000 2.144 11 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 11 D C 2.028 178.371 176.300 0.072 0.000 0.984 11 D CA 0.829 54.865 54.000 0.060 0.000 0.834 11 D CB -0.743 40.097 40.800 0.066 0.000 0.955 11 D HN 0.429 nan 8.370 nan 0.000 0.465 12 C N 0.308 119.664 119.300 0.094 0.000 2.440 12 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 12 C C 2.704 177.783 174.990 0.149 0.000 1.295 12 C CA 0.267 59.364 59.018 0.132 0.000 1.738 12 C CB -1.232 26.568 27.740 0.100 0.000 1.987 12 C HN 0.257 nan 8.230 nan 0.000 0.492 13 L N 1.170 122.452 121.223 0.099 0.000 2.217 13 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 13 L C 2.783 179.690 176.870 0.061 0.000 1.107 13 L CA 1.858 56.748 54.840 0.084 0.000 0.783 13 L CB -0.620 41.481 42.059 0.070 0.000 0.919 13 L HN 0.582 nan 8.230 nan 0.000 0.442 14 E N 0.037 120.257 120.200 0.035 0.000 2.478 14 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 14 E C 1.721 178.320 176.600 -0.002 0.000 1.045 14 E CA 0.325 56.729 56.400 0.006 0.000 0.868 14 E CB 0.020 29.710 29.700 -0.016 0.000 0.885 14 E HN 0.316 nan 8.360 nan 0.000 0.505 15 K N -0.085 120.324 120.400 0.015 0.000 2.374 15 K HA 0.068 4.388 4.320 -0.000 0.000 0.196 15 K C 0.202 176.637 176.600 -0.275 0.000 1.023 15 K CA 0.239 56.473 56.287 -0.087 0.000 1.103 15 K CB 0.274 32.746 32.500 -0.046 0.000 0.848 15 K HN 0.160 nan 8.250 nan 0.000 0.528 16 H N -1.549 117.524 119.070 0.004 0.000 3.650 16 H HA 0.290 4.846 4.556 -0.000 0.000 0.260 16 H C -1.193 174.137 175.328 0.003 0.000 1.194 16 H CA -0.282 55.769 56.048 0.005 0.000 1.135 16 H CB 0.972 30.739 29.762 0.008 0.000 1.612 16 H HN -0.070 nan 8.280 nan 0.000 0.703 17 L N 2.814 124.085 121.223 0.080 0.000 2.362 17 L HA 0.428 4.768 4.340 -0.000 0.000 0.275 17 L C -2.232 174.650 176.870 0.019 0.000 0.998 17 L CA -2.174 52.696 54.840 0.050 0.000 0.820 17 L CB 1.815 43.901 42.059 0.045 0.000 1.270 17 L HN -0.057 nan 8.230 nan 0.000 0.415 18 P HA 0.013 nan 4.420 nan 0.000 0.263 18 P C -2.307 174.994 177.300 0.002 0.000 1.175 18 P CA -0.905 62.198 63.100 0.005 0.000 0.761 18 P CB 0.143 31.847 31.700 0.007 0.000 0.794 19 P HA -0.199 nan 4.420 nan 0.000 0.217 19 P C 1.198 178.494 177.300 -0.006 0.000 1.148 19 P CA 1.544 64.639 63.100 -0.008 0.000 0.828 19 P CB -0.060 31.633 31.700 -0.011 0.000 0.783 20 D N -0.234 120.164 120.400 -0.003 0.000 2.234 20 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 20 D C 1.526 177.828 176.300 0.003 0.000 0.962 20 D CA 1.075 55.074 54.000 -0.001 0.000 0.855 20 D CB -0.422 40.378 40.800 0.000 0.000 0.951 20 D HN 0.201 nan 8.370 nan 0.000 0.500 21 E N -0.338 119.865 120.200 0.005 0.000 2.122 21 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 21 E C 2.094 178.700 176.600 0.010 0.000 0.977 21 E CA 0.000 56.406 56.400 0.010 0.000 0.820 21 E CB 0.008 29.715 29.700 0.013 0.000 0.770 21 E HN 0.114 nan 8.360 nan 0.000 0.462 22 L N 1.979 123.206 121.223 0.006 0.000 2.081 22 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 22 L C 2.046 178.910 176.870 -0.010 0.000 1.080 22 L CA 1.867 56.707 54.840 -0.000 0.000 0.754 22 L CB -0.225 41.830 42.059 -0.008 0.000 0.893 22 L HN -0.085 nan 8.230 nan 0.000 0.433 23 K N -0.880 119.514 120.400 -0.009 0.000 2.147 23 K HA -0.241 4.079 4.320 -0.000 0.000 0.205 23 K C 2.038 178.640 176.600 0.003 0.000 1.049 23 K CA 1.654 57.935 56.287 -0.010 0.000 0.936 23 K CB 0.099 32.595 32.500 -0.007 0.000 0.722 23 K HN 0.387 nan 8.250 nan 0.000 0.446 24 E N -0.103 120.103 120.200 0.010 0.000 2.122 24 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 24 E C 1.719 178.336 176.600 0.029 0.000 0.977 24 E CA 0.565 56.976 56.400 0.019 0.000 0.820 24 E CB 0.171 29.881 29.700 0.016 0.000 0.770 24 E HN -0.010 nan 8.360 nan 0.000 0.462 25 V N 1.201 121.133 119.914 0.031 0.000 2.427 25 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 25 V C 2.167 178.311 176.094 0.084 0.000 1.051 25 V CA 1.763 64.093 62.300 0.049 0.000 1.048 25 V CB -0.374 31.476 31.823 0.046 0.000 0.666 25 V HN 0.228 nan 8.190 nan 0.000 0.456 26 K N -0.443 119.988 120.400 0.052 0.000 2.097 26 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 26 K C 2.443 179.110 176.600 0.111 0.000 1.049 26 K CA 0.934 57.251 56.287 0.049 0.000 0.933 26 K CB -0.201 32.246 32.500 -0.088 0.000 0.717 26 K HN 0.195 nan 8.250 nan 0.000 0.442 27 R N 1.002 121.542 120.500 0.067 0.000 2.092 27 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 27 R C 2.059 178.404 176.300 0.075 0.000 1.119 27 R CA 1.099 57.239 56.100 0.067 0.000 0.970 27 R CB -0.187 30.139 30.300 0.044 0.000 0.864 27 R HN 0.238 nan 8.270 nan 0.000 0.440 28 I N 0.197 120.808 120.570 0.068 0.000 2.480 28 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 28 I C 2.076 178.215 176.117 0.036 0.000 1.124 28 I CA 0.584 61.911 61.300 0.044 0.000 1.444 28 I CB 0.002 38.018 38.000 0.028 0.000 1.098 28 I HN 0.059 nan 8.210 nan 0.000 0.428 29 L N -0.775 120.498 121.223 0.085 0.000 2.084 29 L HA -0.022 4.318 4.340 -0.000 0.000 0.202 29 L C 0.996 177.799 176.870 -0.112 0.000 1.074 29 L CA 0.908 55.749 54.840 0.000 0.000 0.757 29 L CB -0.595 41.494 42.059 0.050 0.000 0.918 29 L HN 0.098 nan 8.230 nan 0.000 0.444 30 Y N -0.525 119.744 120.300 -0.051 0.000 2.534 30 Y HA 0.385 4.935 4.550 0.000 0.000 0.338 30 Y C 1.541 177.433 175.900 -0.014 0.000 1.279 30 Y CA -0.454 57.614 58.100 -0.054 0.000 1.436 30 Y CB -0.110 38.315 38.460 -0.058 0.000 1.573 30 Y HN -0.203 nan 8.280 nan 0.000 0.567 31 G N -0.727 108.189 108.800 0.193 0.000 2.603 31 G HA2 0.269 4.229 3.960 -0.000 0.000 0.214 31 G HA3 0.269 4.229 3.960 -0.000 0.000 0.214 31 G C 0.026 174.999 174.900 0.121 0.000 1.140 31 G CA 0.793 45.980 45.100 0.144 0.000 0.800 31 G HN 0.398 nan 8.290 nan 0.000 0.533 32 V N -2.645 117.333 119.914 0.106 0.000 3.182 32 V HA 0.605 4.725 4.120 -0.000 0.000 0.311 32 V C 1.058 177.169 176.094 0.030 0.000 1.221 32 V CA -0.240 62.094 62.300 0.057 0.000 1.060 32 V CB 1.767 33.607 31.823 0.028 0.000 1.164 32 V HN 0.118 nan 8.190 nan 0.000 0.466 33 E N 0.537 120.742 120.200 0.008 0.000 2.216 33 E HA 0.072 4.422 4.350 -0.000 0.000 0.192 33 E C 0.326 176.906 176.600 -0.033 0.000 0.973 33 E CA 0.788 57.185 56.400 -0.006 0.000 0.851 33 E CB 0.106 29.806 29.700 0.000 0.000 0.804 33 E HN 0.932 nan 8.360 nan 0.000 0.477 34 E N 1.545 121.722 120.200 -0.038 0.000 2.331 34 E HA 0.215 4.565 4.350 -0.000 0.000 0.275 34 E C -1.143 175.425 176.600 -0.053 0.000 0.895 34 E CA -0.727 55.640 56.400 -0.055 0.000 0.753 34 E CB 1.100 30.777 29.700 -0.038 0.000 1.216 34 E HN -0.227 nan 8.360 nan 0.000 0.434 35 D N 2.424 122.786 120.400 -0.063 0.000 2.525 35 D HA -0.042 4.598 4.640 -0.000 0.000 0.235 35 D C -0.233 176.068 176.300 0.001 0.000 1.137 35 D CA 0.720 54.706 54.000 -0.024 0.000 0.868 35 D CB 0.565 41.394 40.800 0.049 0.000 1.180 35 D HN 0.359 nan 8.370 nan 0.000 0.465 36 Q N 1.522 121.314 119.800 -0.014 0.000 2.678 36 Q HA 0.127 4.467 4.340 -0.000 0.000 0.222 36 Q C -0.135 175.876 176.000 0.018 0.000 1.281 36 Q CA -0.233 55.551 55.803 -0.031 0.000 0.994 36 Q CB 0.295 28.972 28.738 -0.101 0.000 1.452 36 Q HN 0.320 nan 8.270 nan 0.000 0.570 37 T N 1.470 116.023 114.554 -0.001 0.000 2.906 37 T HA 0.097 4.447 4.350 -0.000 0.000 0.320 37 T C -0.066 174.564 174.700 -0.117 0.000 1.088 37 T CA -0.087 61.953 62.100 -0.099 0.000 1.120 37 T CB 0.687 69.492 68.868 -0.105 0.000 1.000 37 T HN 0.393 nan 8.240 nan 0.000 0.550 38 L N 1.905 123.012 121.223 -0.193 0.000 2.341 38 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 38 L C -0.265 176.525 176.870 -0.135 0.000 1.005 38 L CA -0.900 53.864 54.840 -0.127 0.000 0.818 38 L CB 1.933 43.933 42.059 -0.097 0.000 1.259 38 L HN 0.598 nan 8.230 nan 0.000 0.418 39 E N 3.715 123.860 120.200 -0.091 0.000 2.257 39 E HA 0.347 4.697 4.350 -0.000 0.000 0.278 39 E C -0.951 175.605 176.600 -0.073 0.000 1.049 39 E CA 0.048 56.400 56.400 -0.081 0.000 0.876 39 E CB 0.807 30.471 29.700 -0.060 0.000 1.035 39 E HN 0.351 nan 8.360 nan 0.000 0.419 40 L N 5.961 127.138 121.223 -0.078 0.000 2.309 40 L HA 0.455 4.795 4.340 -0.000 0.000 0.282 40 L C -1.921 174.914 176.870 -0.057 0.000 1.036 40 L CA -2.282 52.518 54.840 -0.068 0.000 0.806 40 L CB 0.960 42.974 42.059 -0.075 0.000 1.220 40 L HN 0.379 nan 8.230 nan 0.000 0.429 41 P HA -0.123 nan 4.420 nan 0.000 0.263 41 P C 0.876 178.148 177.300 -0.046 0.000 1.162 41 P CA 0.397 63.471 63.100 -0.044 0.000 0.758 41 P CB 0.581 32.255 31.700 -0.044 0.000 0.773 42 T N 1.055 115.584 114.554 -0.041 0.000 2.720 42 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 42 T C 1.828 176.502 174.700 -0.043 0.000 1.037 42 T CA 2.091 64.166 62.100 -0.041 0.000 1.144 42 T CB -0.563 68.285 68.868 -0.034 0.000 0.864 42 T HN 0.515 nan 8.240 nan 0.000 0.444 43 S N 0.952 116.629 115.700 -0.038 0.000 2.402 43 S HA 0.122 4.592 4.470 -0.000 0.000 0.229 43 S C 2.403 176.975 174.600 -0.045 0.000 1.021 43 S CA 1.054 59.232 58.200 -0.036 0.000 0.974 43 S CB -0.759 62.424 63.200 -0.028 0.000 0.800 43 S HN 0.666 nan 8.310 nan 0.000 0.484 44 A N 2.309 125.099 122.820 -0.051 0.000 1.855 44 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 44 A C 2.257 179.794 177.584 -0.079 0.000 1.191 44 A CA 1.395 53.398 52.037 -0.055 0.000 0.613 44 A CB -0.674 18.295 19.000 -0.052 0.000 0.829 44 A HN 0.515 nan 8.150 nan 0.000 0.442 45 K N -0.526 119.824 120.400 -0.083 0.000 2.160 45 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 45 K C 1.518 178.040 176.600 -0.129 0.000 1.047 45 K CA 1.435 57.657 56.287 -0.108 0.000 0.930 45 K CB -0.172 32.277 32.500 -0.086 0.000 0.720 45 K HN 0.423 nan 8.250 nan 0.000 0.450 46 D N 0.732 121.074 120.400 -0.098 0.000 2.084 46 D HA -0.110 4.530 4.640 -0.000 0.000 0.194 46 D C 1.814 178.046 176.300 -0.113 0.000 0.990 46 D CA 1.032 54.979 54.000 -0.089 0.000 0.826 46 D CB -0.075 40.691 40.800 -0.056 0.000 0.971 46 D HN 0.132 nan 8.370 nan 0.000 0.453 47 I N 1.054 121.563 120.570 -0.102 0.000 2.208 47 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 47 I C 2.530 178.485 176.117 -0.269 0.000 1.097 47 I CA 1.248 62.495 61.300 -0.088 0.000 1.363 47 I CB -0.292 37.707 38.000 -0.001 0.000 1.051 47 I HN -0.076 nan 8.210 nan 0.000 0.413 48 A N 0.700 123.223 122.820 -0.495 0.000 1.877 48 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 48 A C 2.268 179.436 177.584 -0.692 0.000 1.186 48 A CA 2.082 53.433 52.037 -1.144 0.000 0.620 48 A CB -0.716 17.782 19.000 -0.836 0.000 0.822 48 A HN 0.514 nan 8.150 nan 0.000 0.443 49 E N -0.040 119.949 120.200 -0.351 0.000 2.033 49 E HA -0.305 4.045 4.350 -0.000 0.000 0.199 49 E C 2.087 178.598 176.600 -0.149 0.000 1.011 49 E CA 2.162 58.442 56.400 -0.199 0.000 0.815 49 E CB -0.383 29.240 29.700 -0.128 0.000 0.755 49 E HN 0.701 nan 8.360 nan 0.000 0.451 50 Q N -0.137 119.589 119.800 -0.125 0.000 2.050 50 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 50 Q C 1.712 177.699 176.000 -0.021 0.000 0.980 50 Q CA 1.681 57.451 55.803 -0.055 0.000 0.840 50 Q CB -0.038 28.681 28.738 -0.031 0.000 0.898 50 Q HN 0.413 nan 8.270 nan 0.000 0.424 51 N N -0.838 117.847 118.700 -0.025 0.000 2.398 51 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 51 N C 0.275 175.886 175.510 0.169 0.000 1.122 51 N CA 0.705 53.831 53.050 0.127 0.000 0.866 51 N CB 0.891 39.580 38.487 0.337 0.000 0.970 51 N HN 0.339 nan 8.380 nan 0.000 0.462 52 G N 1.804 110.609 108.800 0.008 0.000 2.225 52 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 52 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 52 G C -0.255 174.732 174.900 0.145 0.000 1.060 52 G CA 0.235 45.363 45.100 0.048 0.000 0.833 52 G HN 0.462 nan 8.290 nan 0.000 0.498 53 F N -1.102 118.863 119.950 0.024 0.000 2.563 53 F HA 0.763 5.290 4.527 0.000 0.000 0.316 53 F C -0.178 175.638 175.800 0.027 0.000 1.076 53 F CA -2.332 55.685 58.000 0.028 0.000 0.921 53 F CB 1.194 40.212 39.000 0.030 0.000 1.209 53 F HN -0.062 nan 8.300 nan 0.000 0.462 54 D N 2.555 123.076 120.400 0.202 0.000 2.443 54 D HA 0.236 4.876 4.640 -0.000 0.000 0.239 54 D C -0.631 175.759 176.300 0.150 0.000 1.136 54 D CA 0.697 54.768 54.000 0.119 0.000 0.879 54 D CB 1.794 42.678 40.800 0.139 0.000 1.195 54 D HN 0.768 nan 8.370 nan 0.000 0.443 55 I N 1.288 121.890 120.570 0.053 0.000 2.500 55 I HA 0.242 4.412 4.170 -0.000 0.000 0.286 55 I C -1.142 174.988 176.117 0.022 0.000 1.063 55 I CA -0.556 60.779 61.300 0.059 0.000 1.062 55 I CB 0.796 38.795 38.000 -0.002 0.000 1.223 55 I HN 0.054 nan 8.210 nan 0.000 0.435 56 K N 4.943 125.375 120.400 0.053 0.000 2.371 56 K HA 0.728 5.048 4.320 -0.000 0.000 0.251 56 K C -0.661 175.855 176.600 -0.140 0.000 0.934 56 K CA -0.846 55.415 56.287 -0.044 0.000 0.798 56 K CB 2.302 34.860 32.500 0.098 0.000 1.204 56 K HN 0.682 nan 8.250 nan 0.000 0.427 57 G N 2.059 110.593 108.800 -0.444 0.000 2.470 57 G HA2 0.620 4.580 3.960 -0.000 0.000 0.320 57 G HA3 0.620 4.580 3.960 -0.000 0.000 0.320 57 G C -1.556 172.912 174.900 -0.720 0.000 1.245 57 G CA -0.256 44.622 45.100 -0.370 0.000 0.935 57 G HN 0.422 nan 8.290 nan 0.000 0.476 58 Y N 0.022 120.326 120.300 0.007 0.000 2.609 58 Y HA 0.710 5.260 4.550 -0.000 0.000 0.342 58 Y C 0.218 176.075 175.900 -0.072 0.000 1.058 58 Y CA -1.139 56.928 58.100 -0.055 0.000 1.055 58 Y CB 2.630 41.051 38.460 -0.064 0.000 1.292 58 Y HN 0.536 nan 8.280 nan 0.000 0.476 59 R N 1.337 121.825 120.500 -0.020 0.000 2.575 59 R HA 0.617 4.957 4.340 -0.000 0.000 0.293 59 R C -2.228 173.951 176.300 -0.200 0.000 0.983 59 R CA -0.549 55.529 56.100 -0.036 0.000 0.887 59 R CB 1.115 31.404 30.300 -0.019 0.000 1.184 59 R HN 0.621 nan 8.270 nan 0.000 0.445 60 F N 0.841 120.878 119.950 0.146 0.000 2.492 60 F HA 0.468 4.995 4.527 0.000 0.000 0.327 60 F C 0.693 176.570 175.800 0.129 0.000 1.079 60 F CA -0.504 57.601 58.000 0.174 0.000 0.967 60 F CB 2.466 41.660 39.000 0.323 0.000 1.169 60 F HN 0.289 nan 8.300 nan 0.000 0.472 61 T N 1.187 115.919 114.554 0.297 0.000 2.916 61 T HA 0.865 5.215 4.350 -0.000 0.000 0.292 61 T C -1.007 173.782 174.700 0.149 0.000 1.055 61 T CA -0.445 61.755 62.100 0.166 0.000 1.009 61 T CB 1.335 70.255 68.868 0.088 0.000 1.118 61 T HN 0.800 nan 8.240 nan 0.000 0.497 62 A N 2.448 125.324 122.820 0.093 0.000 2.387 62 A HA 0.821 5.141 4.320 -0.000 0.000 0.298 62 A C -0.236 177.353 177.584 0.008 0.000 1.165 62 A CA -0.849 51.219 52.037 0.051 0.000 0.814 62 A CB 1.186 20.224 19.000 0.063 0.000 1.357 62 A HN 0.877 nan 8.150 nan 0.000 0.443 63 R N 0.216 120.700 120.500 -0.028 0.000 2.594 63 R HA 0.191 4.531 4.340 -0.000 0.000 0.272 63 R C -0.175 176.111 176.300 -0.023 0.000 1.074 63 R CA -0.041 56.033 56.100 -0.043 0.000 1.105 63 R CB 0.390 30.642 30.300 -0.080 0.000 1.008 63 R HN 0.793 nan 8.270 nan 0.000 0.472 64 E N 1.988 122.175 120.200 -0.021 0.000 2.366 64 E HA -0.026 4.324 4.350 -0.000 0.000 0.266 64 E C -0.986 175.605 176.600 -0.015 0.000 1.015 64 E CA 0.334 56.727 56.400 -0.012 0.000 0.906 64 E CB 0.678 30.371 29.700 -0.011 0.000 0.979 64 E HN 0.392 nan 8.360 nan 0.000 0.443 65 E N 2.874 123.070 120.200 -0.007 0.000 2.212 65 E HA 0.115 4.465 4.350 -0.000 0.000 0.270 65 E C 0.374 176.971 176.600 -0.004 0.000 0.956 65 E CA -0.463 55.933 56.400 -0.007 0.000 0.825 65 E CB 1.478 31.177 29.700 -0.003 0.000 1.167 65 E HN 0.572 nan 8.360 nan 0.000 0.400 66 Q N 0.059 119.856 119.800 -0.005 0.000 2.049 66 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 66 Q C 1.644 177.644 176.000 0.000 0.000 0.971 66 Q CA 1.785 57.586 55.803 -0.003 0.000 0.833 66 Q CB 0.159 28.895 28.738 -0.004 0.000 0.896 66 Q HN 0.638 nan 8.270 nan 0.000 0.434 67 T N -2.415 112.140 114.554 0.001 0.000 3.086 67 T HA 0.252 4.602 4.350 -0.000 0.000 0.250 67 T C 0.408 175.111 174.700 0.006 0.000 1.074 67 T CA -0.208 61.894 62.100 0.004 0.000 0.988 67 T CB 0.354 69.224 68.868 0.004 0.000 0.988 67 T HN -0.057 nan 8.240 nan 0.000 0.530 68 R N 1.429 121.933 120.500 0.007 0.000 2.564 68 R HA 0.380 4.720 4.340 -0.000 0.000 0.284 68 R C -0.936 175.371 176.300 0.012 0.000 1.031 68 R CA -0.830 55.276 56.100 0.011 0.000 0.904 68 R CB 1.530 31.838 30.300 0.014 0.000 1.199 68 R HN 0.262 nan 8.270 nan 0.000 0.443 69 K N 3.476 123.885 120.400 0.014 0.000 2.202 69 K HA 0.241 4.561 4.320 -0.000 0.000 0.264 69 K C -0.581 176.032 176.600 0.021 0.000 1.010 69 K CA -0.558 55.738 56.287 0.016 0.000 0.940 69 K CB 0.892 33.401 32.500 0.016 0.000 0.983 69 K HN 0.491 nan 8.250 nan 0.000 0.475 70 R N 1.813 122.326 120.500 0.021 0.000 2.502 70 R HA -0.017 4.323 4.340 -0.000 0.000 0.292 70 R C 0.004 176.324 176.300 0.032 0.000 0.998 70 R CA 0.208 56.324 56.100 0.027 0.000 1.056 70 R CB -0.027 30.288 30.300 0.025 0.000 0.939 70 R HN 0.444 nan 8.270 nan 0.000 0.411 71 R N 3.475 123.998 120.500 0.037 0.000 3.436 71 R HA 0.233 4.573 4.340 -0.000 0.000 0.247 71 R C -0.170 176.151 176.300 0.036 0.000 1.434 71 R CA -0.245 55.880 56.100 0.043 0.000 1.543 71 R CB 0.263 30.590 30.300 0.045 0.000 1.289 71 R HN 0.519 nan 8.270 nan 0.000 0.664 72 I N 2.116 122.707 120.570 0.035 0.000 2.471 72 I HA 0.115 4.285 4.170 -0.000 0.000 0.286 72 I C -0.069 176.057 176.117 0.015 0.000 1.079 72 I CA -0.070 61.242 61.300 0.020 0.000 1.398 72 I CB 1.200 39.213 38.000 0.021 0.000 1.403 72 I HN 0.077 nan 8.210 nan 0.000 0.530 73 V N 7.282 127.183 119.914 -0.022 0.000 2.841 73 V HA 0.452 4.572 4.120 -0.000 0.000 0.310 73 V C -0.411 175.636 176.094 -0.079 0.000 1.090 73 V CA -0.769 61.503 62.300 -0.047 0.000 0.930 73 V CB 2.621 34.433 31.823 -0.018 0.000 1.014 73 V HN 0.660 nan 8.190 nan 0.000 0.425 74 R N 2.558 122.990 120.500 -0.113 0.000 2.393 74 R HA 0.771 5.111 4.340 -0.000 0.000 0.315 74 R C -1.077 175.182 176.300 -0.068 0.000 0.952 74 R CA -0.384 55.669 56.100 -0.078 0.000 0.842 74 R CB 1.810 32.057 30.300 -0.087 0.000 1.163 74 R HN 0.669 nan 8.270 nan 0.000 0.450 75 V N 1.145 121.064 119.914 0.008 0.000 2.581 75 V HA 0.897 5.017 4.120 -0.000 0.000 0.303 75 V C -0.267 175.874 176.094 0.078 0.000 1.041 75 V CA -0.503 61.842 62.300 0.074 0.000 0.907 75 V CB 1.828 33.771 31.823 0.200 0.000 0.994 75 V HN 0.803 nan 8.190 nan 0.000 0.442 76 G N 3.290 112.114 108.800 0.041 0.000 2.533 76 G HA2 0.728 4.688 3.960 -0.000 0.000 0.310 76 G HA3 0.728 4.688 3.960 -0.000 0.000 0.310 76 G C -0.294 174.608 174.900 0.003 0.000 1.266 76 G CA -0.182 44.930 45.100 0.020 0.000 0.967 76 G HN 1.544 nan 8.290 nan 0.000 0.493 77 A N 3.100 125.960 122.820 0.067 0.000 2.274 77 A HA 0.752 5.072 4.320 -0.000 0.000 0.309 77 A C -0.142 177.451 177.584 0.016 0.000 1.226 77 A CA -0.484 51.583 52.037 0.050 0.000 0.853 77 A CB 0.450 19.536 19.000 0.143 0.000 1.146 77 A HN 0.667 nan 8.150 nan 0.000 0.518 78 I N 2.999 123.538 120.570 -0.051 0.000 2.382 78 I HA 0.231 4.401 4.170 -0.000 0.000 0.285 78 I C 0.006 176.093 176.117 -0.050 0.000 1.007 78 I CA -0.329 60.925 61.300 -0.075 0.000 1.142 78 I CB 1.625 39.524 38.000 -0.168 0.000 1.289 78 I HN 0.873 nan 8.210 nan 0.000 0.453 79 Q N 7.382 127.175 119.800 -0.011 0.000 2.282 79 Q HA 0.603 4.942 4.340 -0.000 0.000 0.260 79 Q C -1.273 174.716 176.000 -0.018 0.000 0.964 79 Q CA -0.815 54.985 55.803 -0.005 0.000 0.880 79 Q CB 2.201 30.951 28.738 0.020 0.000 1.286 79 Q HN 0.672 nan 8.270 nan 0.000 0.445 80 N N 0.611 119.301 118.700 -0.017 0.000 2.934 80 N HA 0.377 5.117 4.740 -0.000 0.000 0.253 80 N C -1.354 174.145 175.510 -0.019 0.000 1.466 80 N CA -0.622 52.421 53.050 -0.012 0.000 0.858 80 N CB 1.560 40.045 38.487 -0.004 0.000 1.459 80 N HN 0.744 nan 8.380 nan 0.000 0.532 81 S N -0.536 115.160 115.700 -0.006 0.000 2.648 81 S HA 0.528 4.998 4.470 -0.000 0.000 0.305 81 S C 0.390 174.984 174.600 -0.011 0.000 1.094 81 S CA -1.000 57.185 58.200 -0.024 0.000 0.983 81 S CB 1.249 64.449 63.200 -0.000 0.000 1.101 81 S HN 0.680 nan 8.310 nan 0.000 0.514 82 I N 1.010 121.559 120.570 -0.036 0.000 3.161 82 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 82 I C 0.653 176.765 176.117 -0.008 0.000 1.252 82 I CA 0.178 61.461 61.300 -0.029 0.000 1.374 82 I CB 1.128 39.090 38.000 -0.063 0.000 1.359 82 I HN 0.628 nan 8.210 nan 0.000 0.606 83 V N 7.055 126.969 119.914 -0.001 0.000 3.159 83 V HA 0.287 4.407 4.120 -0.000 0.000 0.234 83 V C 0.320 176.420 176.094 0.010 0.000 1.313 83 V CA 0.456 62.765 62.300 0.014 0.000 1.271 83 V CB 0.695 32.535 31.823 0.027 0.000 1.053 83 V HN 0.660 nan 8.190 nan 0.000 0.476 84 I N 0.841 121.414 120.570 0.005 0.000 2.603 84 I HA 0.701 4.871 4.170 -0.000 0.000 0.300 84 I C -2.600 173.519 176.117 0.003 0.000 1.017 84 I CA -2.589 58.714 61.300 0.006 0.000 1.098 84 I CB 2.045 40.048 38.000 0.005 0.000 1.279 84 I HN 0.044 nan 8.210 nan 0.000 0.437 85 P HA -0.008 nan 4.420 nan 0.000 0.265 85 P C 0.848 178.161 177.300 0.022 0.000 1.187 85 P CA 0.099 63.197 63.100 -0.002 0.000 0.766 85 P CB 0.567 32.272 31.700 0.009 0.000 0.820 86 T N -1.865 112.692 114.554 0.004 0.000 2.996 86 T HA -0.107 4.243 4.350 -0.000 0.000 0.271 86 T C 0.914 175.747 174.700 0.222 0.000 1.126 86 T CA 1.230 63.399 62.100 0.115 0.000 1.103 86 T CB -1.303 67.557 68.868 -0.013 0.000 0.870 86 T HN 0.554 nan 8.240 nan 0.000 0.528 87 T N -0.045 114.583 114.554 0.123 0.000 3.598 87 T HA 0.741 5.091 4.350 -0.000 0.000 0.343 87 T C -0.237 174.486 174.700 0.038 0.000 1.697 87 T CA -0.391 61.761 62.100 0.086 0.000 1.247 87 T CB -0.159 68.751 68.868 0.070 0.000 1.210 87 T HN 0.634 nan 8.240 nan 0.000 0.820 88 A N 2.824 125.660 122.820 0.028 0.000 2.594 88 A HA 0.734 5.054 4.320 -0.000 0.000 0.296 88 A C -3.120 174.442 177.584 -0.037 0.000 1.061 88 A CA -1.759 50.275 52.037 -0.005 0.000 0.689 88 A CB 0.661 19.664 19.000 0.004 0.000 1.280 88 A HN 0.376 nan 8.150 nan 0.000 0.406 89 P HA 0.037 nan 4.420 nan 0.000 0.259 89 P C 1.259 178.464 177.300 -0.159 0.000 1.163 89 P CA 0.341 63.371 63.100 -0.117 0.000 0.760 89 P CB 0.089 31.723 31.700 -0.111 0.000 0.762 90 I N 1.153 121.577 120.570 -0.243 0.000 2.399 90 I HA -0.258 3.912 4.170 -0.000 0.000 0.254 90 I C 1.505 177.306 176.117 -0.528 0.000 1.146 90 I CA 1.577 62.609 61.300 -0.447 0.000 1.412 90 I CB -0.567 36.942 38.000 -0.819 0.000 1.076 90 I HN 0.279 nan 8.210 nan 0.000 0.432 91 E N 1.066 121.029 120.200 -0.395 0.000 2.107 91 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 91 E C 2.050 178.450 176.600 -0.335 0.000 0.982 91 E CA 0.859 57.028 56.400 -0.385 0.000 0.809 91 E CB 0.047 29.576 29.700 -0.287 0.000 0.756 91 E HN 0.438 nan 8.360 nan 0.000 0.459 92 K N 0.657 120.923 120.400 -0.224 0.000 2.097 92 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 92 K C 2.117 178.629 176.600 -0.147 0.000 1.049 92 K CA 1.111 57.303 56.287 -0.159 0.000 0.933 92 K CB 0.081 32.522 32.500 -0.097 0.000 0.717 92 K HN 0.075 nan 8.250 nan 0.000 0.442 93 Q N -0.231 119.498 119.800 -0.119 0.000 2.020 93 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 93 Q C 2.286 178.228 176.000 -0.097 0.000 0.982 93 Q CA 1.670 57.456 55.803 -0.029 0.000 0.838 93 Q CB -0.208 28.622 28.738 0.153 0.000 0.899 93 Q HN 0.273 nan 8.270 nan 0.000 0.423 94 R N 0.984 121.351 120.500 -0.222 0.000 2.081 94 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 94 R C 1.920 177.749 176.300 -0.786 0.000 1.131 94 R CA 1.340 57.157 56.100 -0.471 0.000 0.960 94 R CB -0.008 29.923 30.300 -0.616 0.000 0.856 94 R HN 0.239 nan 8.270 nan 0.000 0.436 95 E N -0.104 119.695 120.200 -0.669 0.000 2.110 95 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 95 E C 1.838 178.408 176.600 -0.051 0.000 0.988 95 E CA 1.160 57.319 56.400 -0.401 0.000 0.804 95 E CB -0.022 29.530 29.700 -0.247 0.000 0.745 95 E HN 0.524 nan 8.360 nan 0.000 0.458 96 A N 1.098 123.880 122.820 -0.063 0.000 1.873 96 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 96 A C 2.138 179.769 177.584 0.078 0.000 1.186 96 A CA 0.989 53.039 52.037 0.022 0.000 0.616 96 A CB -0.520 18.482 19.000 0.003 0.000 0.823 96 A HN 0.154 nan 8.150 nan 0.000 0.442 97 I N -2.299 118.302 120.570 0.052 0.000 2.252 97 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 97 I C 2.409 178.726 176.117 0.334 0.000 1.102 97 I CA 0.885 62.264 61.300 0.132 0.000 1.385 97 I CB -0.460 37.560 38.000 0.034 0.000 1.064 97 I HN 0.429 nan 8.210 nan 0.000 0.414 98 W N 1.797 123.136 121.300 0.065 0.000 2.302 98 W HA -0.240 4.420 4.660 -0.000 0.000 0.320 98 W C 2.638 179.243 176.519 0.144 0.000 1.241 98 W CA 1.179 58.615 57.345 0.151 0.000 1.264 98 W CB -1.344 28.157 29.460 0.067 0.000 1.154 98 W HN 0.185 nan 8.180 nan 0.000 0.483 99 N N 0.141 119.044 118.700 0.339 0.000 2.142 99 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 99 N C 1.693 177.295 175.510 0.154 0.000 1.023 99 N CA 1.776 54.951 53.050 0.209 0.000 0.852 99 N CB -0.712 37.871 38.487 0.161 0.000 0.998 99 N HN 0.225 nan 8.380 nan 0.000 0.424 100 K N 1.006 121.492 120.400 0.144 0.000 2.001 100 K HA -0.093 4.227 4.320 -0.000 0.000 0.214 100 K C 1.800 178.421 176.600 0.034 0.000 1.050 100 K CA 1.420 57.758 56.287 0.085 0.000 0.934 100 K CB -0.284 32.262 32.500 0.077 0.000 0.718 100 K HN -0.120 nan 8.250 nan 0.000 0.443 101 V N 1.274 121.253 119.914 0.108 0.000 2.667 101 V HA -0.160 3.960 4.120 -0.000 0.000 0.252 101 V C 2.356 178.442 176.094 -0.013 0.000 1.065 101 V CA 1.701 64.015 62.300 0.023 0.000 1.083 101 V CB -0.457 31.458 31.823 0.153 0.000 0.692 101 V HN 0.417 nan 8.190 nan 0.000 0.468 102 K N 0.456 120.899 120.400 0.072 0.000 2.059 102 K HA -0.285 4.035 4.320 -0.000 0.000 0.212 102 K C 2.267 178.892 176.600 0.042 0.000 1.050 102 K CA 2.316 58.637 56.287 0.055 0.000 0.927 102 K CB -0.365 32.190 32.500 0.091 0.000 0.714 102 K HN 0.653 nan 8.250 nan 0.000 0.447 103 T N -1.405 113.176 114.554 0.045 0.000 3.023 103 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 103 T C 1.831 176.567 174.700 0.060 0.000 1.093 103 T CA 0.764 62.910 62.100 0.076 0.000 1.129 103 T CB -0.045 68.902 68.868 0.131 0.000 0.899 103 T HN 0.144 nan 8.240 nan 0.000 0.491 104 M N 0.401 119.933 119.600 -0.113 0.000 2.156 104 M HA 0.169 4.649 4.480 -0.000 0.000 0.264 104 M C 2.242 178.476 176.300 -0.110 0.000 1.067 104 M CA 1.435 56.583 55.300 -0.253 0.000 1.131 104 M CB -0.456 31.803 32.600 -0.569 0.000 1.368 104 M HN 0.269 nan 8.290 nan 0.000 0.416 105 I N -0.012 120.484 120.570 -0.122 0.000 2.394 105 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 105 I C 2.571 178.569 176.117 -0.198 0.000 1.136 105 I CA 1.103 62.323 61.300 -0.133 0.000 1.425 105 I CB -0.482 37.459 38.000 -0.099 0.000 1.079 105 I HN 0.312 nan 8.210 nan 0.000 0.425 106 K N 1.432 121.741 120.400 -0.151 0.000 2.057 106 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 106 K C 2.274 178.740 176.600 -0.223 0.000 1.050 106 K CA 1.389 57.506 56.287 -0.284 0.000 0.935 106 K CB -0.058 32.407 32.500 -0.058 0.000 0.715 106 K HN 0.283 nan 8.250 nan 0.000 0.439 107 A N 1.186 123.978 122.820 -0.046 0.000 1.902 107 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 107 A C 2.307 179.860 177.584 -0.053 0.000 1.181 107 A CA 1.904 53.944 52.037 0.005 0.000 0.623 107 A CB -0.736 18.373 19.000 0.181 0.000 0.818 107 A HN 0.453 nan 8.150 nan 0.000 0.443 108 A N -0.179 122.600 122.820 -0.069 0.000 1.940 108 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 108 A C 2.473 179.960 177.584 -0.162 0.000 1.176 108 A CA 2.149 54.130 52.037 -0.094 0.000 0.631 108 A CB -0.931 18.009 19.000 -0.101 0.000 0.814 108 A HN 1.050 nan 8.150 nan 0.000 0.446 109 A N -0.192 122.458 122.820 -0.284 0.000 1.873 109 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 109 A C 1.933 179.376 177.584 -0.236 0.000 1.186 109 A CA 1.519 53.332 52.037 -0.373 0.000 0.616 109 A CB -0.461 17.976 19.000 -0.938 0.000 0.823 109 A HN 0.617 nan 8.150 nan 0.000 0.442 110 E N -0.298 119.781 120.200 -0.203 0.000 2.208 110 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 110 E C 1.916 178.465 176.600 -0.084 0.000 0.988 110 E CA 0.685 57.015 56.400 -0.118 0.000 0.828 110 E CB -0.197 29.448 29.700 -0.093 0.000 0.763 110 E HN 0.584 nan 8.360 nan 0.000 0.478 111 A N 0.799 123.568 122.820 -0.084 0.000 2.235 111 A HA 0.186 4.506 4.320 -0.000 0.000 0.208 111 A C 1.581 179.124 177.584 -0.070 0.000 1.172 111 A CA 0.794 52.792 52.037 -0.065 0.000 0.786 111 A CB -0.450 18.520 19.000 -0.050 0.000 0.804 111 A HN 0.293 nan 8.150 nan 0.000 0.479 112 G N -1.454 107.294 108.800 -0.087 0.000 2.225 112 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 112 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 112 G C 0.213 175.044 174.900 -0.114 0.000 1.060 112 G CA 0.015 45.062 45.100 -0.089 0.000 0.833 112 G HN 0.551 nan 8.290 nan 0.000 0.498 113 C N -0.609 118.616 119.300 -0.126 0.000 2.656 113 C HA 0.408 4.868 4.460 -0.000 0.000 0.391 113 C C 1.816 176.664 174.990 -0.237 0.000 1.300 113 C CA 0.546 59.474 59.018 -0.149 0.000 2.302 113 C CB 0.509 28.180 27.740 -0.115 0.000 2.655 113 C HN 0.727 nan 8.230 nan 0.000 0.656 114 N N 0.191 118.683 118.700 -0.347 0.000 2.397 114 N HA 0.310 5.050 4.740 -0.000 0.000 0.190 114 N C -0.759 174.504 175.510 -0.411 0.000 1.099 114 N CA 0.167 52.803 53.050 -0.690 0.000 0.876 114 N CB 0.248 37.901 38.487 -1.391 0.000 1.143 114 N HN 0.511 nan 8.380 nan 0.000 0.468 115 I N 1.241 121.696 120.570 -0.191 0.000 2.478 115 I HA 0.363 4.533 4.170 -0.000 0.000 0.287 115 I C -1.168 174.893 176.117 -0.093 0.000 1.042 115 I CA -0.920 60.348 61.300 -0.053 0.000 1.067 115 I CB 2.464 40.533 38.000 0.115 0.000 1.233 115 I HN -0.265 nan 8.210 nan 0.000 0.431 116 V N 4.843 124.658 119.914 -0.164 0.000 2.715 116 V HA 0.535 4.655 4.120 -0.000 0.000 0.310 116 V C -0.767 175.105 176.094 -0.370 0.000 1.054 116 V CA -0.563 61.604 62.300 -0.222 0.000 0.928 116 V CB 2.152 33.866 31.823 -0.182 0.000 1.007 116 V HN 0.884 nan 8.190 nan 0.000 0.437 117 C N 3.518 122.565 119.300 -0.421 0.000 2.686 117 C HA 0.799 5.259 4.460 -0.000 0.000 0.318 117 C C 0.451 175.222 174.990 -0.365 0.000 1.160 117 C CA 0.006 58.703 59.018 -0.536 0.000 1.396 117 C CB 1.376 28.523 27.740 -0.988 0.000 1.924 117 C HN 1.117 nan 8.230 nan 0.000 0.471 118 T N 2.599 116.937 114.554 -0.360 0.000 2.897 118 T HA 0.552 4.902 4.350 -0.000 0.000 0.278 118 T C 0.106 174.738 174.700 -0.113 0.000 0.981 118 T CA -0.446 61.465 62.100 -0.314 0.000 0.973 118 T CB 0.971 69.475 68.868 -0.606 0.000 1.092 118 T HN 0.907 nan 8.240 nan 0.000 0.543 119 Q N 0.119 119.916 119.800 -0.004 0.000 2.370 119 Q HA 0.324 4.664 4.340 -0.000 0.000 0.186 119 Q C -0.035 176.053 176.000 0.147 0.000 1.093 119 Q CA -0.915 54.929 55.803 0.069 0.000 1.142 119 Q CB 0.432 29.199 28.738 0.048 0.000 1.175 119 Q HN 0.818 nan 8.270 nan 0.000 0.625 120 E N -0.513 119.775 120.200 0.146 0.000 2.313 120 E HA 0.301 4.651 4.350 -0.000 0.000 0.276 120 E C -0.572 176.202 176.600 0.291 0.000 1.031 120 E CA 0.327 56.854 56.400 0.212 0.000 0.857 120 E CB 0.445 30.276 29.700 0.219 0.000 1.040 120 E HN 0.745 nan 8.360 nan 0.000 0.408 121 A N 5.643 128.652 122.820 0.316 0.000 2.640 121 A HA -0.156 4.164 4.320 -0.000 0.000 0.300 121 A C 0.832 178.525 177.584 0.182 0.000 1.499 121 A CA 1.166 53.363 52.037 0.267 0.000 0.759 121 A CB -2.181 17.029 19.000 0.351 0.000 1.048 121 A HN 0.900 nan 8.150 nan 0.000 0.450 122 W N -0.914 120.451 121.300 0.108 0.000 2.538 122 W HA -0.011 4.649 4.660 -0.000 0.000 0.254 122 W C 0.862 177.438 176.519 0.095 0.000 1.249 122 W CA 1.184 58.573 57.345 0.073 0.000 1.253 122 W CB -1.022 28.486 29.460 0.080 0.000 1.130 122 W HN 0.593 nan 8.180 nan 0.000 0.618 123 T N 1.620 115.776 114.554 -0.663 0.000 3.122 123 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 123 T C 0.379 174.901 174.700 -0.297 0.000 1.067 123 T CA 0.202 61.854 62.100 -0.747 0.000 0.966 123 T CB -0.448 67.961 68.868 -0.764 0.000 1.002 123 T HN 0.292 nan 8.240 nan 0.000 0.542 124 M N 0.106 119.501 119.600 -0.342 0.000 2.520 124 M HA 0.615 5.095 4.480 -0.000 0.000 0.280 124 M C -3.175 172.855 176.300 -0.450 0.000 1.232 124 M CA -2.109 52.785 55.300 -0.675 0.000 0.892 124 M CB 1.992 33.794 32.600 -1.330 0.000 1.728 124 M HN -0.369 nan 8.290 nan 0.000 0.475 125 P HA 0.084 nan 4.420 nan 0.000 0.268 125 P C -0.843 176.297 177.300 -0.266 0.000 1.205 125 P CA 0.216 63.166 63.100 -0.251 0.000 0.771 125 P CB 0.233 31.779 31.700 -0.257 0.000 0.858 126 F N 2.972 122.818 119.950 -0.172 0.000 2.670 126 F HA 0.191 4.718 4.527 0.000 0.000 0.345 126 F C 1.408 176.950 175.800 -0.431 0.000 1.303 126 F CA -0.101 57.793 58.000 -0.177 0.000 1.172 126 F CB -0.575 38.552 39.000 0.212 0.000 1.602 126 F HN 0.402 nan 8.300 nan 0.000 0.679 127 A N 3.231 125.348 122.820 -1.172 0.000 2.259 127 A HA 0.030 4.350 4.320 -0.000 0.000 0.208 127 A C 1.500 178.085 177.584 -1.665 0.000 1.201 127 A CA 0.147 51.252 52.037 -1.553 0.000 0.824 127 A CB -1.013 16.849 19.000 -1.896 0.000 0.838 127 A HN 0.588 nan 8.150 nan 0.000 0.485 128 F N -0.192 119.012 119.950 -1.244 0.000 2.502 128 F HA -0.129 4.397 4.527 -0.000 0.000 0.298 128 F C 2.532 177.830 175.800 -0.836 0.000 1.111 128 F CA 0.761 58.111 58.000 -1.083 0.000 1.445 128 F CB -1.133 37.207 39.000 -1.100 0.000 1.081 128 F HN 0.524 nan 8.300 nan 0.000 0.558 129 C N -1.004 117.656 119.300 -1.066 0.000 2.432 129 C HA -0.105 4.355 4.460 -0.000 0.000 0.280 129 C C 2.664 176.936 174.990 -1.196 0.000 1.353 129 C CA 0.961 59.241 59.018 -1.229 0.000 1.766 129 C CB -1.791 24.807 27.740 -1.903 0.000 1.924 129 C HN 0.521 nan 8.230 nan 0.000 0.509 130 T N -2.004 111.850 114.554 -1.167 0.000 2.904 130 T HA 0.034 4.384 4.350 -0.000 0.000 0.267 130 T C 1.237 175.742 174.700 -0.326 0.000 1.059 130 T CA 0.954 62.609 62.100 -0.741 0.000 1.137 130 T CB -0.513 67.981 68.868 -0.623 0.000 0.879 130 T HN 0.648 nan 8.240 nan 0.000 0.467 131 R N 1.069 121.434 120.500 -0.225 0.000 3.878 131 R HA -0.122 4.218 4.340 -0.000 0.000 0.330 131 R C -0.889 175.372 176.300 -0.064 0.000 1.186 131 R CA 0.779 56.825 56.100 -0.091 0.000 0.885 131 R CB -2.018 28.197 30.300 -0.140 0.000 1.377 131 R HN 0.642 nan 8.270 nan 0.000 0.523 132 E N 0.476 120.722 120.200 0.077 0.000 2.249 132 E HA 0.160 4.510 4.350 -0.000 0.000 0.280 132 E C 0.447 177.180 176.600 0.222 0.000 1.016 132 E CA -0.731 55.770 56.400 0.169 0.000 0.830 132 E CB 0.961 30.869 29.700 0.347 0.000 1.081 132 E HN -0.023 nan 8.360 nan 0.000 0.395 133 K N 1.599 121.927 120.400 -0.120 0.000 2.314 133 K HA 0.139 4.459 4.320 -0.000 0.000 0.198 133 K C -0.047 176.193 176.600 -0.599 0.000 1.045 133 K CA 0.590 56.627 56.287 -0.417 0.000 0.988 133 K CB 0.268 32.256 32.500 -0.854 0.000 0.783 133 K HN 0.363 nan 8.250 nan 0.000 0.484 134 F N 1.540 121.473 119.950 -0.029 0.000 2.507 134 F HA 0.282 4.809 4.527 -0.000 0.000 0.325 134 F C -1.750 173.725 175.800 -0.541 0.000 1.116 134 F CA -2.180 55.697 58.000 -0.203 0.000 0.930 134 F CB 1.835 40.751 39.000 -0.141 0.000 1.146 134 F HN -0.190 nan 8.300 nan 0.000 0.447 135 P HA 0.120 nan 4.420 nan 0.000 0.263 135 P C 0.469 177.639 177.300 -0.216 0.000 1.448 135 P CA -0.037 62.875 63.100 -0.314 0.000 0.983 135 P CB -0.169 31.323 31.700 -0.347 0.000 1.481 136 W N -0.975 120.385 121.300 0.099 0.000 2.425 136 W HA -0.073 4.587 4.660 -0.000 0.000 0.277 136 W C 1.917 178.517 176.519 0.134 0.000 1.231 136 W CA 0.025 57.438 57.345 0.114 0.000 1.248 136 W CB -1.296 28.110 29.460 -0.090 0.000 1.117 136 W HN 0.022 nan 8.180 nan 0.000 0.568 137 C N 0.517 119.958 119.300 0.236 0.000 2.448 137 C HA -0.092 4.368 4.460 -0.000 0.000 0.280 137 C C 2.168 177.255 174.990 0.162 0.000 1.398 137 C CA 0.768 59.897 59.018 0.185 0.000 1.774 137 C CB -1.032 26.744 27.740 0.060 0.000 1.888 137 C HN 0.348 nan 8.230 nan 0.000 0.519 138 E N -0.184 120.084 120.200 0.115 0.000 2.418 138 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 138 E C 1.447 178.039 176.600 -0.013 0.000 1.026 138 E CA 0.792 57.207 56.400 0.025 0.000 0.862 138 E CB -0.221 29.445 29.700 -0.055 0.000 0.799 138 E HN 0.700 nan 8.360 nan 0.000 0.518 139 F N 1.748 121.716 119.950 0.030 0.000 2.365 139 F HA -0.017 4.510 4.527 -0.000 0.000 0.300 139 F C 1.435 177.257 175.800 0.037 0.000 1.090 139 F CA 0.216 58.223 58.000 0.013 0.000 1.408 139 F CB 0.086 39.092 39.000 0.009 0.000 1.060 139 F HN -0.146 nan 8.300 nan 0.000 0.534 140 A N 1.468 124.434 122.820 0.243 0.000 2.492 140 A HA 0.285 4.605 4.320 -0.000 0.000 0.254 140 A C 0.167 177.841 177.584 0.150 0.000 1.091 140 A CA -0.292 51.862 52.037 0.195 0.000 0.768 140 A CB -0.272 18.840 19.000 0.187 0.000 1.028 140 A HN 0.480 nan 8.150 nan 0.000 0.498 141 E N 2.324 122.617 120.200 0.155 0.000 2.370 141 E HA 0.495 4.845 4.350 -0.000 0.000 0.259 141 E C -0.866 175.814 176.600 0.132 0.000 0.947 141 E CA -1.010 55.471 56.400 0.137 0.000 0.809 141 E CB 0.949 30.743 29.700 0.157 0.000 1.300 141 E HN 0.626 nan 8.360 nan 0.000 0.419 142 E N -0.478 119.787 120.200 0.108 0.000 2.383 142 E HA 0.157 4.507 4.350 -0.000 0.000 0.264 142 E C 0.457 177.108 176.600 0.086 0.000 1.050 142 E CA 0.233 56.683 56.400 0.083 0.000 0.896 142 E CB 1.360 31.088 29.700 0.046 0.000 0.982 142 E HN 0.636 nan 8.360 nan 0.000 0.424 143 A N 3.023 125.879 122.820 0.059 0.000 1.929 143 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 143 A C 1.888 179.476 177.584 0.005 0.000 1.176 143 A CA 1.608 53.696 52.037 0.085 0.000 0.628 143 A CB -0.099 18.966 19.000 0.108 0.000 0.816 143 A HN 0.755 nan 8.150 nan 0.000 0.444 144 E N -0.748 119.316 120.200 -0.228 0.000 2.162 144 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 144 E C 0.836 177.317 176.600 -0.200 0.000 0.953 144 E CA 0.730 56.814 56.400 -0.527 0.000 0.849 144 E CB 0.142 29.374 29.700 -0.779 0.000 0.810 144 E HN 0.517 nan 8.360 nan 0.000 0.470 145 N N 0.183 118.824 118.700 -0.098 0.000 2.205 145 N HA 0.113 4.853 4.740 -0.000 0.000 0.201 145 N C 0.227 175.752 175.510 0.025 0.000 1.128 145 N CA 0.457 53.488 53.050 -0.032 0.000 0.867 145 N CB 0.788 39.259 38.487 -0.027 0.000 0.996 145 N HN 0.049 nan 8.380 nan 0.000 0.503 146 G N 2.365 111.200 108.800 0.058 0.000 2.491 146 G HA2 0.099 4.059 3.960 -0.000 0.000 0.238 146 G HA3 0.099 4.059 3.960 -0.000 0.000 0.238 146 G C -1.075 173.904 174.900 0.132 0.000 1.277 146 G CA -0.689 44.479 45.100 0.113 0.000 0.851 146 G HN -0.008 nan 8.290 nan 0.000 0.573 147 P HA -0.155 nan 4.420 nan 0.000 0.216 147 P C 1.791 179.171 177.300 0.132 0.000 1.153 147 P CA 1.678 64.907 63.100 0.215 0.000 0.858 147 P CB 0.016 31.954 31.700 0.397 0.000 0.789 148 T N -0.331 114.382 114.554 0.265 0.000 2.708 148 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 148 T C 1.910 176.575 174.700 -0.058 0.000 1.037 148 T CA 2.229 64.397 62.100 0.114 0.000 1.146 148 T CB -1.253 67.859 68.868 0.407 0.000 0.865 148 T HN 0.213 nan 8.240 nan 0.000 0.435 149 T N 2.463 117.076 114.554 0.099 0.000 2.652 149 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 149 T C 2.070 176.769 174.700 -0.002 0.000 1.039 149 T CA 0.975 63.135 62.100 0.100 0.000 1.153 149 T CB -0.186 68.813 68.868 0.218 0.000 0.863 149 T HN 0.296 nan 8.240 nan 0.000 0.428 150 K N 0.948 121.346 120.400 -0.005 0.000 2.020 150 K HA -0.164 4.156 4.320 -0.000 0.000 0.212 150 K C 2.466 179.004 176.600 -0.103 0.000 1.050 150 K CA 1.839 58.105 56.287 -0.035 0.000 0.929 150 K CB -0.517 31.974 32.500 -0.016 0.000 0.714 150 K HN 0.481 nan 8.250 nan 0.000 0.443 151 M N 0.148 119.629 119.600 -0.199 0.000 2.086 151 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 151 M C 1.918 178.065 176.300 -0.255 0.000 1.067 151 M CA 1.691 56.814 55.300 -0.295 0.000 1.116 151 M CB -0.862 31.394 32.600 -0.572 0.000 1.348 151 M HN -0.062 nan 8.290 nan 0.000 0.407 152 L N 1.028 122.090 121.223 -0.268 0.000 2.131 152 L HA 0.066 4.406 4.340 -0.000 0.000 0.210 152 L C 2.750 179.534 176.870 -0.144 0.000 1.092 152 L CA 1.920 56.622 54.840 -0.230 0.000 0.759 152 L CB -1.438 40.424 42.059 -0.328 0.000 0.903 152 L HN 0.545 nan 8.230 nan 0.000 0.435 153 A N -1.130 121.629 122.820 -0.101 0.000 1.978 153 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 153 A C 2.214 179.759 177.584 -0.065 0.000 1.170 153 A CA 1.817 53.825 52.037 -0.049 0.000 0.636 153 A CB -0.435 18.560 19.000 -0.008 0.000 0.810 153 A HN 0.548 nan 8.150 nan 0.000 0.448 154 E N -0.369 119.775 120.200 -0.094 0.000 2.047 154 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 154 E C 1.895 178.402 176.600 -0.154 0.000 0.987 154 E CA 1.173 57.506 56.400 -0.111 0.000 0.799 154 E CB -0.281 29.349 29.700 -0.116 0.000 0.752 154 E HN 0.630 nan 8.360 nan 0.000 0.449 155 L N 0.699 121.828 121.223 -0.156 0.000 2.131 155 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 155 L C 2.473 179.285 176.870 -0.096 0.000 1.092 155 L CA 1.039 55.772 54.840 -0.180 0.000 0.759 155 L CB -0.408 41.629 42.059 -0.037 0.000 0.903 155 L HN 0.130 nan 8.230 nan 0.000 0.435 156 A N -0.166 122.622 122.820 -0.053 0.000 1.873 156 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 156 A C 2.438 180.019 177.584 -0.005 0.000 1.186 156 A CA 1.704 53.739 52.037 -0.003 0.000 0.616 156 A CB -0.396 18.599 19.000 -0.009 0.000 0.823 156 A HN 0.298 nan 8.150 nan 0.000 0.442 157 K N -0.368 120.006 120.400 -0.043 0.000 2.026 157 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 157 K C 2.194 178.752 176.600 -0.070 0.000 1.048 157 K CA 1.248 57.511 56.287 -0.041 0.000 0.929 157 K CB -0.300 32.170 32.500 -0.050 0.000 0.713 157 K HN 0.376 nan 8.250 nan 0.000 0.439 158 A N -0.005 122.710 122.820 -0.174 0.000 1.898 158 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 158 A C 1.608 179.048 177.584 -0.240 0.000 1.181 158 A CA 1.134 53.001 52.037 -0.284 0.000 0.620 158 A CB -0.597 18.096 19.000 -0.512 0.000 0.819 158 A HN 0.477 nan 8.150 nan 0.000 0.442 159 Y N -1.390 118.903 120.300 -0.012 0.000 2.466 159 Y HA 0.126 4.676 4.550 -0.000 0.000 0.272 159 Y C 0.799 176.700 175.900 0.001 0.000 1.169 159 Y CA 0.023 58.115 58.100 -0.014 0.000 1.285 159 Y CB -0.135 38.306 38.460 -0.032 0.000 1.078 159 Y HN 0.495 nan 8.280 nan 0.000 0.523 160 N N 2.031 120.810 118.700 0.132 0.000 2.669 160 N HA -0.222 4.518 4.740 -0.000 0.000 0.266 160 N C -0.837 174.778 175.510 0.175 0.000 1.024 160 N CA 0.798 53.932 53.050 0.139 0.000 0.766 160 N CB -0.828 37.742 38.487 0.137 0.000 0.898 160 N HN 0.515 nan 8.380 nan 0.000 0.548 161 M N -2.427 117.263 119.600 0.150 0.000 2.484 161 M HA 0.498 4.978 4.480 -0.000 0.000 0.289 161 M C -0.801 175.570 176.300 0.118 0.000 1.206 161 M CA -1.193 54.178 55.300 0.118 0.000 0.892 161 M CB 1.658 34.257 32.600 -0.003 0.000 1.712 161 M HN -0.211 nan 8.290 nan 0.000 0.462 162 V N 3.529 123.537 119.914 0.158 0.000 2.521 162 V HA 0.285 4.405 4.120 -0.000 0.000 0.286 162 V C -0.098 175.981 176.094 -0.025 0.000 1.034 162 V CA 0.143 62.496 62.300 0.088 0.000 1.045 162 V CB 0.525 32.439 31.823 0.152 0.000 0.974 162 V HN 0.672 nan 8.190 nan 0.000 0.480 163 I N 6.602 127.133 120.570 -0.065 0.000 2.362 163 I HA 0.472 4.642 4.170 -0.000 0.000 0.289 163 I C -0.399 175.632 176.117 -0.143 0.000 0.994 163 I CA -0.261 60.961 61.300 -0.130 0.000 1.158 163 I CB 1.579 39.500 38.000 -0.131 0.000 1.315 163 I HN 0.423 nan 8.210 nan 0.000 0.451 164 I N 6.445 126.874 120.570 -0.235 0.000 2.354 164 I HA 0.391 4.561 4.170 -0.000 0.000 0.292 164 I C -0.311 175.703 176.117 -0.171 0.000 0.989 164 I CA -0.377 60.782 61.300 -0.236 0.000 1.188 164 I CB 1.110 38.886 38.000 -0.374 0.000 1.342 164 I HN 0.665 nan 8.210 nan 0.000 0.457 165 H N 2.463 121.409 119.070 -0.208 0.000 2.980 165 H HA 0.724 5.280 4.556 -0.000 0.000 0.367 165 H C -1.263 174.097 175.328 0.053 0.000 1.206 165 H CA -1.011 54.939 56.048 -0.162 0.000 1.126 165 H CB 1.769 31.420 29.762 -0.185 0.000 1.838 165 H HN 0.401 nan 8.280 nan 0.000 0.552 166 S N 2.430 118.198 115.700 0.113 0.000 2.498 166 S HA 0.619 5.089 4.470 -0.000 0.000 0.317 166 S C -0.632 174.139 174.600 0.285 0.000 1.090 166 S CA -0.596 57.667 58.200 0.105 0.000 1.089 166 S CB -0.340 62.938 63.200 0.130 0.000 0.997 166 S HN 0.692 nan 8.310 nan 0.000 0.470 167 I N 1.564 122.206 120.570 0.119 0.000 3.239 167 I HA 0.595 4.765 4.170 -0.000 0.000 0.314 167 I C -1.032 175.149 176.117 0.107 0.000 1.126 167 I CA -1.456 59.940 61.300 0.159 0.000 0.973 167 I CB 1.420 39.548 38.000 0.214 0.000 1.252 167 I HN 0.425 nan 8.210 nan 0.000 0.463 168 L N 2.078 123.382 121.223 0.136 0.000 2.319 168 L HA 0.351 4.690 4.340 -0.000 0.000 0.280 168 L C 0.031 176.987 176.870 0.145 0.000 1.099 168 L CA 0.128 55.049 54.840 0.135 0.000 0.828 168 L CB 0.897 43.075 42.059 0.199 0.000 1.150 168 L HN 0.726 nan 8.230 nan 0.000 0.442 169 E N 5.297 125.580 120.200 0.139 0.000 2.151 169 E HA 0.245 4.595 4.350 -0.000 0.000 0.275 169 E C -0.772 175.974 176.600 0.243 0.000 0.936 169 E CA -0.825 55.682 56.400 0.178 0.000 0.777 169 E CB 1.319 31.114 29.700 0.160 0.000 1.108 169 E HN 0.445 nan 8.360 nan 0.000 0.401 170 R N 3.778 124.402 120.500 0.207 0.000 2.255 170 R HA 0.140 4.480 4.340 -0.000 0.000 0.326 170 R C -1.045 175.386 176.300 0.218 0.000 0.986 170 R CA -0.570 55.660 56.100 0.217 0.000 0.847 170 R CB 0.801 31.195 30.300 0.157 0.000 1.111 170 R HN 0.395 nan 8.270 nan 0.000 0.452 171 D N 5.156 125.735 120.400 0.299 0.000 2.313 171 D HA 0.074 4.714 4.640 -0.000 0.000 0.239 171 D C 1.039 177.475 176.300 0.228 0.000 1.142 171 D CA -0.404 53.745 54.000 0.248 0.000 0.847 171 D CB 1.066 42.035 40.800 0.281 0.000 1.082 171 D HN 0.455 nan 8.370 nan 0.000 0.480 172 M N 2.687 122.384 119.600 0.161 0.000 2.081 172 M HA -0.065 4.415 4.480 -0.000 0.000 0.261 172 M C 1.608 177.976 176.300 0.113 0.000 1.075 172 M CA 1.380 56.752 55.300 0.120 0.000 1.133 172 M CB -0.997 31.649 32.600 0.078 0.000 1.330 172 M HN 0.394 nan 8.290 nan 0.000 0.414 173 E N -0.125 120.137 120.200 0.103 0.000 2.097 173 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 173 E C 0.627 177.188 176.600 -0.066 0.000 1.000 173 E CA 1.290 57.686 56.400 -0.006 0.000 0.804 173 E CB -0.516 29.142 29.700 -0.070 0.000 0.740 173 E HN 0.580 nan 8.360 nan 0.000 0.454 174 H N -0.804 118.319 119.070 0.088 0.000 2.553 174 H HA 0.435 4.991 4.556 -0.000 0.000 0.222 174 H C 0.590 176.006 175.328 0.146 0.000 1.779 174 H CA 0.172 56.292 56.048 0.120 0.000 1.241 174 H CB 0.055 29.910 29.762 0.154 0.000 1.647 174 H HN 0.251 nan 8.280 nan 0.000 0.523 175 G N 1.667 110.568 108.800 0.168 0.000 2.273 175 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.280 175 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.280 175 G C 0.254 175.233 174.900 0.132 0.000 1.047 175 G CA 0.280 45.458 45.100 0.129 0.000 0.869 175 G HN 0.753 nan 8.290 nan 0.000 0.502 176 E N -1.422 118.866 120.200 0.148 0.000 2.403 176 E HA -0.273 4.077 4.350 -0.000 0.000 0.241 176 E C 0.916 177.598 176.600 0.138 0.000 1.201 176 E CA 0.886 57.368 56.400 0.136 0.000 0.721 176 E CB -2.296 27.460 29.700 0.093 0.000 1.245 176 E HN 1.358 nan 8.360 nan 0.000 0.392 177 T N -1.713 112.959 114.554 0.195 0.000 2.904 177 T HA 0.582 4.932 4.350 -0.000 0.000 0.290 177 T C 0.465 175.197 174.700 0.053 0.000 1.018 177 T CA -0.696 61.453 62.100 0.082 0.000 1.075 177 T CB 1.399 70.295 68.868 0.047 0.000 0.986 177 T HN 0.178 nan 8.240 nan 0.000 0.523 178 I N 1.780 122.250 120.570 -0.166 0.000 2.428 178 I HA 0.548 4.718 4.170 -0.000 0.000 0.296 178 I C -0.717 175.182 176.117 -0.363 0.000 0.985 178 I CA -0.607 60.659 61.300 -0.056 0.000 1.260 178 I CB 0.995 39.051 38.000 0.093 0.000 1.389 178 I HN 0.678 nan 8.210 nan 0.000 0.484 179 W N 3.707 124.993 121.300 -0.023 0.000 3.083 179 W HA 0.379 5.039 4.660 -0.000 0.000 0.333 179 W C -0.385 175.821 176.519 -0.522 0.000 1.217 179 W CA -0.591 56.612 57.345 -0.237 0.000 1.170 179 W CB 0.827 30.204 29.460 -0.139 0.000 1.437 179 W HN 0.245 nan 8.180 nan 0.000 0.557 180 N N 1.381 119.689 118.700 -0.652 0.000 2.462 180 N HA 0.390 5.130 4.740 -0.000 0.000 0.242 180 N C -1.255 174.128 175.510 -0.213 0.000 1.010 180 N CA 0.352 53.056 53.050 -0.577 0.000 0.939 180 N CB 0.933 38.910 38.487 -0.851 0.000 1.127 180 N HN 0.345 nan 8.380 nan 0.000 0.509 181 T N 1.329 115.819 114.554 -0.106 0.000 2.861 181 T HA 0.502 4.852 4.350 -0.000 0.000 0.287 181 T C -0.523 174.130 174.700 -0.079 0.000 1.003 181 T CA -0.533 61.522 62.100 -0.075 0.000 0.977 181 T CB 1.689 70.542 68.868 -0.025 0.000 0.996 181 T HN 0.490 nan 8.240 nan 0.000 0.448 182 A N 2.672 125.441 122.820 -0.084 0.000 2.290 182 A HA 0.752 5.072 4.320 -0.000 0.000 0.310 182 A C -0.357 177.149 177.584 -0.130 0.000 1.202 182 A CA -0.515 51.453 52.037 -0.114 0.000 0.837 182 A CB 0.544 19.502 19.000 -0.069 0.000 1.139 182 A HN 0.668 nan 8.150 nan 0.000 0.509 183 V N 3.311 123.078 119.914 -0.245 0.000 2.459 183 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 183 V C -0.315 175.642 176.094 -0.229 0.000 1.029 183 V CA -0.462 61.735 62.300 -0.172 0.000 0.874 183 V CB 1.751 33.557 31.823 -0.029 0.000 0.985 183 V HN 0.637 nan 8.190 nan 0.000 0.438 184 V N 6.705 126.369 119.914 -0.416 0.000 2.350 184 V HA 0.483 4.603 4.120 -0.000 0.000 0.276 184 V C -0.137 175.777 176.094 -0.299 0.000 1.028 184 V CA -0.315 61.698 62.300 -0.478 0.000 0.860 184 V CB 1.341 32.568 31.823 -0.993 0.000 0.990 184 V HN 0.650 nan 8.190 nan 0.000 0.453 185 I N 4.476 124.964 120.570 -0.138 0.000 2.339 185 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 185 I C 0.787 176.876 176.117 -0.046 0.000 0.994 185 I CA -0.152 61.115 61.300 -0.055 0.000 1.191 185 I CB 1.898 39.906 38.000 0.013 0.000 1.343 185 I HN 0.714 nan 8.210 nan 0.000 0.458 186 S N 5.148 120.831 115.700 -0.028 0.000 2.589 186 S HA 0.050 4.520 4.470 -0.000 0.000 0.265 186 S C 1.229 175.848 174.600 0.032 0.000 1.342 186 S CA -0.457 57.744 58.200 0.001 0.000 1.005 186 S CB 0.622 63.820 63.200 -0.003 0.000 0.909 186 S HN 0.800 nan 8.310 nan 0.000 0.555 187 N N 1.043 119.783 118.700 0.067 0.000 2.520 187 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 187 N C 1.458 177.002 175.510 0.058 0.000 1.068 187 N CA 1.111 54.225 53.050 0.107 0.000 0.911 187 N CB -0.498 38.129 38.487 0.233 0.000 0.961 187 N HN 0.723 nan 8.380 nan 0.000 0.446 188 S N -0.872 114.844 115.700 0.027 0.000 2.489 188 S HA 0.254 4.724 4.470 -0.000 0.000 0.228 188 S C 1.599 176.207 174.600 0.014 0.000 0.995 188 S CA 0.734 58.943 58.200 0.015 0.000 0.934 188 S CB -0.213 62.991 63.200 0.007 0.000 0.771 188 S HN 0.564 nan 8.310 nan 0.000 0.522 189 G N 0.896 109.706 108.800 0.017 0.000 2.254 189 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.225 189 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.225 189 G C 0.182 175.102 174.900 0.033 0.000 1.003 189 G CA -0.232 44.876 45.100 0.012 0.000 0.622 189 G HN 0.569 nan 8.290 nan 0.000 0.507 190 R N -0.031 120.494 120.500 0.042 0.000 2.390 190 R HA 0.456 4.795 4.340 -0.000 0.000 0.291 190 R C 0.147 176.511 176.300 0.106 0.000 1.070 190 R CA -0.706 55.440 56.100 0.077 0.000 1.014 190 R CB 0.481 30.819 30.300 0.063 0.000 1.007 190 R HN 0.322 nan 8.270 nan 0.000 0.466 191 Y N 3.875 124.189 120.300 0.023 0.000 2.677 191 Y HA -0.089 4.461 4.550 -0.000 0.000 0.335 191 Y C 0.577 176.506 175.900 0.048 0.000 1.162 191 Y CA 0.349 58.469 58.100 0.034 0.000 1.483 191 Y CB 0.310 38.795 38.460 0.042 0.000 1.209 191 Y HN 0.614 nan 8.280 nan 0.000 0.528 192 L N 5.509 126.514 121.223 -0.363 0.000 2.131 192 L HA 0.206 4.545 4.340 -0.000 0.000 0.206 192 L C 1.309 177.970 176.870 -0.348 0.000 1.087 192 L CA 1.050 55.749 54.840 -0.236 0.000 0.767 192 L CB -0.520 41.485 42.059 -0.089 0.000 0.917 192 L HN 0.955 nan 8.230 nan 0.000 0.441 193 G N -0.281 108.006 108.800 -0.855 0.000 2.341 193 G HA2 0.165 4.125 3.960 -0.000 0.000 0.293 193 G HA3 0.165 4.125 3.960 -0.000 0.000 0.293 193 G C -1.836 172.940 174.900 -0.207 0.000 1.298 193 G CA -0.580 44.267 45.100 -0.422 0.000 0.868 193 G HN 0.099 nan 8.290 nan 0.000 0.540 194 K N -1.043 119.460 120.400 0.172 0.000 2.480 194 K HA 0.796 5.116 4.320 -0.000 0.000 0.258 194 K C -1.312 175.490 176.600 0.337 0.000 0.990 194 K CA -1.148 55.258 56.287 0.197 0.000 0.857 194 K CB 2.678 35.292 32.500 0.191 0.000 1.384 194 K HN 0.811 nan 8.250 nan 0.000 0.446 195 H N 0.836 119.993 119.070 0.145 0.000 2.877 195 H HA 0.337 4.893 4.556 -0.000 0.000 0.347 195 H C -1.200 174.148 175.328 0.033 0.000 1.042 195 H CA -0.922 55.196 56.048 0.115 0.000 1.276 195 H CB 1.705 31.605 29.762 0.231 0.000 1.681 195 H HN 0.589 nan 8.280 nan 0.000 0.521 196 R N 3.568 123.972 120.500 -0.160 0.000 2.368 196 R HA 0.132 4.472 4.340 -0.000 0.000 0.302 196 R C -0.232 175.834 176.300 -0.391 0.000 1.002 196 R CA -0.846 55.112 56.100 -0.237 0.000 0.929 196 R CB 1.657 31.885 30.300 -0.120 0.000 1.073 196 R HN 0.508 nan 8.270 nan 0.000 0.464 197 K N 2.641 122.888 120.400 -0.255 0.000 2.404 197 K HA -0.179 4.141 4.320 -0.000 0.000 0.271 197 K C 0.332 176.902 176.600 -0.050 0.000 1.130 197 K CA 0.235 56.444 56.287 -0.131 0.000 1.181 197 K CB 0.320 32.816 32.500 -0.008 0.000 0.840 197 K HN 0.470 nan 8.250 nan 0.000 0.483 198 N N 2.349 121.014 118.700 -0.058 0.000 2.270 198 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 198 N C -0.269 175.036 175.510 -0.341 0.000 1.016 198 N CA 0.969 53.906 53.050 -0.188 0.000 0.870 198 N CB 0.093 38.429 38.487 -0.253 0.000 0.979 198 N HN 0.558 nan 8.380 nan 0.000 0.431 199 H N -0.264 118.855 119.070 0.082 0.000 2.539 199 H HA 0.311 4.867 4.556 0.000 0.000 0.332 199 H C -0.556 174.974 175.328 0.337 0.000 1.031 199 H CA -0.665 55.469 56.048 0.143 0.000 1.206 199 H CB 1.599 31.368 29.762 0.011 0.000 1.446 199 H HN -0.090 nan 8.280 nan 0.000 0.496 200 I N 6.627 127.379 120.570 0.304 0.000 2.312 200 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 200 I C -2.031 173.986 176.117 -0.167 0.000 1.008 200 I CA -2.105 59.267 61.300 0.121 0.000 1.226 200 I CB 1.530 39.565 38.000 0.058 0.000 1.371 200 I HN 0.345 nan 8.210 nan 0.000 0.468 201 P HA 0.248 nan 4.420 nan 0.000 0.278 201 P C -0.490 176.584 177.300 -0.376 0.000 1.238 201 P CA -0.405 62.103 63.100 -0.987 0.000 0.794 201 P CB 0.865 32.042 31.700 -0.871 0.000 0.955 202 R N 0.998 121.334 120.500 -0.273 0.000 2.549 202 R HA 0.196 4.536 4.340 -0.000 0.000 0.399 202 R C -0.074 176.205 176.300 -0.034 0.000 0.964 202 R CA -0.426 55.607 56.100 -0.112 0.000 1.173 202 R CB -0.875 29.370 30.300 -0.092 0.000 1.535 202 R HN 0.272 nan 8.270 nan 0.000 0.551 203 V N 1.887 121.783 119.914 -0.029 0.000 2.470 203 V HA 0.464 4.584 4.120 -0.000 0.000 0.276 203 V C 1.023 177.221 176.094 0.173 0.000 1.040 203 V CA 1.613 63.945 62.300 0.053 0.000 1.008 203 V CB 0.228 32.070 31.823 0.031 0.000 0.990 203 V HN 0.764 nan 8.190 nan 0.000 0.477 204 G N 6.092 114.985 108.800 0.155 0.000 2.574 204 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.301 204 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.301 204 G C 0.579 175.601 174.900 0.203 0.000 1.166 204 G CA 0.573 45.798 45.100 0.209 0.000 0.971 204 G HN 0.707 nan 8.290 nan 0.000 0.542 205 D N 0.606 121.175 120.400 0.282 0.000 2.349 205 D HA 0.126 4.766 4.640 -0.000 0.000 0.215 205 D C 0.751 176.949 176.300 -0.171 0.000 1.016 205 D CA 0.391 54.404 54.000 0.022 0.000 0.870 205 D CB 0.036 40.878 40.800 0.070 0.000 0.917 205 D HN 0.177 nan 8.370 nan 0.000 0.524 206 F N 2.273 122.274 119.950 0.085 0.000 2.573 206 F HA 0.157 4.684 4.527 -0.000 0.000 0.349 206 F C 0.837 176.610 175.800 -0.044 0.000 1.213 206 F CA -0.493 57.568 58.000 0.100 0.000 1.300 206 F CB -0.288 38.819 39.000 0.179 0.000 1.661 206 F HN -0.216 nan 8.300 nan 0.000 0.616 207 N N 2.370 121.061 118.700 -0.014 0.000 3.331 207 N HA 0.027 4.767 4.740 -0.000 0.000 0.303 207 N C 0.658 176.109 175.510 -0.098 0.000 1.326 207 N CA 0.008 53.025 53.050 -0.055 0.000 1.207 207 N CB 0.230 38.677 38.487 -0.067 0.000 1.477 207 N HN 0.615 nan 8.380 nan 0.000 0.541 208 E N 0.395 120.461 120.200 -0.223 0.000 2.285 208 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 208 E C 1.755 177.980 176.600 -0.625 0.000 0.997 208 E CA 0.577 56.640 56.400 -0.562 0.000 0.845 208 E CB 0.176 29.550 29.700 -0.543 0.000 0.782 208 E HN 0.448 nan 8.360 nan 0.000 0.491 209 S N 0.193 115.680 115.700 -0.354 0.000 2.507 209 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 209 S C 1.829 176.257 174.600 -0.288 0.000 0.988 209 S CA 1.146 59.170 58.200 -0.293 0.000 0.944 209 S CB -0.257 62.834 63.200 -0.180 0.000 0.762 209 S HN 0.067 nan 8.310 nan 0.000 0.526 210 T N 0.366 114.748 114.554 -0.287 0.000 2.985 210 T HA 0.119 4.469 4.350 -0.000 0.000 0.266 210 T C 0.847 175.247 174.700 -0.499 0.000 1.076 210 T CA 1.021 62.899 62.100 -0.370 0.000 1.135 210 T CB -0.298 68.317 68.868 -0.422 0.000 0.890 210 T HN 0.633 nan 8.240 nan 0.000 0.480 211 Y N 0.016 120.053 120.300 -0.438 0.000 2.524 211 Y HA 0.300 4.850 4.550 0.000 0.000 0.270 211 Y C 0.281 176.007 175.900 -0.290 0.000 1.094 211 Y CA -0.894 57.001 58.100 -0.342 0.000 1.276 211 Y CB 0.473 38.774 38.460 -0.264 0.000 1.130 211 Y HN 0.301 nan 8.280 nan 0.000 0.536 212 Y N -4.301 115.920 120.300 -0.131 0.000 2.624 212 Y HA 0.587 5.136 4.550 -0.000 0.000 0.334 212 Y C -0.650 175.089 175.900 -0.268 0.000 1.155 212 Y CA -2.276 55.648 58.100 -0.293 0.000 1.046 212 Y CB 0.484 38.773 38.460 -0.284 0.000 1.316 212 Y HN -0.368 nan 8.280 nan 0.000 0.457 213 M N 1.610 121.096 119.600 -0.190 0.000 2.154 213 M HA 0.245 4.725 4.480 -0.000 0.000 0.251 213 M C 0.004 176.363 176.300 0.099 0.000 1.200 213 M CA -0.520 54.721 55.300 -0.098 0.000 0.967 213 M CB 0.558 33.054 32.600 -0.174 0.000 1.362 213 M HN 0.825 nan 8.290 nan 0.000 0.522 214 E N 0.784 121.049 120.200 0.108 0.000 2.354 214 E HA 0.323 4.673 4.350 -0.000 0.000 0.269 214 E C 0.148 176.876 176.600 0.213 0.000 1.036 214 E CA -0.289 56.182 56.400 0.118 0.000 0.876 214 E CB -0.203 29.513 29.700 0.027 0.000 1.009 214 E HN 0.738 nan 8.360 nan 0.000 0.416 215 G N 2.016 110.898 108.800 0.137 0.000 2.398 215 G HA2 0.046 4.006 3.960 -0.000 0.000 0.246 215 G HA3 0.046 4.006 3.960 -0.000 0.000 0.246 215 G C 0.464 175.367 174.900 0.005 0.000 1.289 215 G CA -0.555 44.603 45.100 0.097 0.000 0.869 215 G HN 0.579 nan 8.290 nan 0.000 0.543 216 N N -0.025 118.636 118.700 -0.064 0.000 2.234 216 N HA -0.023 4.717 4.740 -0.000 0.000 0.227 216 N C 1.134 176.575 175.510 -0.114 0.000 1.151 216 N CA 0.209 53.206 53.050 -0.089 0.000 0.865 216 N CB 0.323 38.749 38.487 -0.101 0.000 1.066 216 N HN 0.376 nan 8.380 nan 0.000 0.515 217 T N -4.041 110.465 114.554 -0.080 0.000 3.107 217 T HA 0.457 4.807 4.350 -0.000 0.000 0.249 217 T C 1.173 175.820 174.700 -0.089 0.000 1.096 217 T CA 0.097 62.169 62.100 -0.048 0.000 1.012 217 T CB -0.071 68.834 68.868 0.061 0.000 0.977 217 T HN 0.417 nan 8.240 nan 0.000 0.527 218 G N 2.157 110.876 108.800 -0.136 0.000 2.531 218 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.274 218 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.274 218 G C -0.397 174.188 174.900 -0.524 0.000 1.159 218 G CA 0.028 45.001 45.100 -0.213 0.000 0.969 218 G HN 0.696 nan 8.290 nan 0.000 0.554 219 H N 1.837 120.716 119.070 -0.318 0.000 2.511 219 H HA 0.474 5.030 4.556 -0.000 0.000 0.228 219 H C -2.359 172.768 175.328 -0.334 0.000 1.424 219 H CA -0.560 55.172 56.048 -0.526 0.000 1.321 219 H CB 1.132 30.443 29.762 -0.752 0.000 1.720 219 H HN 0.485 nan 8.280 nan 0.000 0.512 220 P HA 0.049 nan 4.420 nan 0.000 0.271 220 P C -0.175 176.944 177.300 -0.302 0.000 1.216 220 P CA -0.112 62.763 63.100 -0.375 0.000 0.776 220 P CB 2.013 33.364 31.700 -0.582 0.000 0.881 221 V N 4.171 123.895 119.914 -0.316 0.000 2.495 221 V HA 0.339 4.459 4.120 -0.000 0.000 0.298 221 V C -0.148 175.753 176.094 -0.321 0.000 1.031 221 V CA -0.453 61.743 62.300 -0.173 0.000 0.871 221 V CB 0.949 32.765 31.823 -0.011 0.000 0.988 221 V HN 0.322 nan 8.190 nan 0.000 0.432 222 F N 2.385 122.336 119.950 0.002 0.000 2.404 222 F HA 0.402 4.929 4.527 -0.000 0.000 0.354 222 F C 0.655 176.453 175.800 -0.003 0.000 1.122 222 F CA -0.523 57.472 58.000 -0.009 0.000 1.080 222 F CB 1.098 40.090 39.000 -0.012 0.000 1.131 222 F HN 0.491 nan 8.300 nan 0.000 0.471 223 E N 3.252 123.522 120.200 0.117 0.000 1.893 223 E HA 0.168 4.518 4.350 -0.000 0.000 0.269 223 E C -0.176 176.458 176.600 0.056 0.000 1.129 223 E CA -0.349 56.091 56.400 0.067 0.000 0.904 223 E CB 0.419 30.132 29.700 0.022 0.000 1.077 223 E HN 0.721 nan 8.360 nan 0.000 0.407 224 T N 0.356 114.945 114.554 0.058 0.000 2.912 224 T HA 0.146 4.496 4.350 -0.000 0.000 0.280 224 T C 1.033 175.675 174.700 -0.096 0.000 0.989 224 T CA -0.620 61.474 62.100 -0.011 0.000 0.995 224 T CB 1.373 70.260 68.868 0.032 0.000 1.077 224 T HN 0.537 nan 8.240 nan 0.000 0.531 225 E N -0.226 119.806 120.200 -0.280 0.000 2.511 225 E HA 0.026 4.376 4.350 -0.000 0.000 0.196 225 E C -0.346 175.948 176.600 -0.511 0.000 1.066 225 E CA 0.324 56.477 56.400 -0.412 0.000 0.871 225 E CB -0.437 28.944 29.700 -0.531 0.000 0.863 225 E HN 0.653 nan 8.360 nan 0.000 0.520 226 F N 0.911 120.874 119.950 0.022 0.000 2.764 226 F HA 0.492 5.019 4.527 -0.000 0.000 0.310 226 F C 0.764 176.573 175.800 0.014 0.000 1.124 226 F CA -0.054 57.955 58.000 0.015 0.000 1.252 226 F CB 1.380 40.391 39.000 0.017 0.000 1.010 226 F HN 0.159 nan 8.300 nan 0.000 0.518 227 G N 0.534 109.406 108.800 0.120 0.000 2.392 227 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.677 227 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.677 227 G C -1.125 173.825 174.900 0.084 0.000 1.334 227 G CA -1.372 43.780 45.100 0.087 0.000 0.961 227 G HN 0.002 nan 8.290 nan 0.000 0.616 228 K N 0.623 121.064 120.400 0.069 0.000 2.284 228 K HA 0.444 4.764 4.320 -0.000 0.000 0.287 228 K C 0.199 176.843 176.600 0.074 0.000 1.081 228 K CA -0.099 56.233 56.287 0.075 0.000 0.910 228 K CB 0.568 33.102 32.500 0.057 0.000 1.088 228 K HN 0.378 nan 8.250 nan 0.000 0.478 229 L N 1.946 123.254 121.223 0.140 0.000 2.334 229 L HA 0.732 5.072 4.340 -0.000 0.000 0.272 229 L C -0.106 176.891 176.870 0.213 0.000 1.020 229 L CA -0.869 54.058 54.840 0.145 0.000 0.812 229 L CB 1.765 43.960 42.059 0.227 0.000 1.264 229 L HN 0.595 nan 8.230 nan 0.000 0.439 230 A N 1.734 124.598 122.820 0.072 0.000 2.539 230 A HA 0.844 5.164 4.320 -0.000 0.000 0.296 230 A C -1.357 176.172 177.584 -0.092 0.000 1.073 230 A CA -0.522 51.525 52.037 0.018 0.000 0.700 230 A CB 2.079 20.953 19.000 -0.211 0.000 1.296 230 A HN 0.346 nan 8.150 nan 0.000 0.405 231 V N 2.269 122.136 119.914 -0.077 0.000 2.444 231 V HA 0.413 4.533 4.120 -0.000 0.000 0.294 231 V C -0.563 175.400 176.094 -0.218 0.000 1.022 231 V CA -0.761 61.503 62.300 -0.060 0.000 0.850 231 V CB 1.615 33.485 31.823 0.079 0.000 0.992 231 V HN 0.832 nan 8.190 nan 0.000 0.426 232 N N 5.280 123.753 118.700 -0.380 0.000 2.501 232 N HA 0.434 5.174 4.740 -0.000 0.000 0.245 232 N C -0.738 174.676 175.510 -0.158 0.000 0.974 232 N CA -0.399 52.429 53.050 -0.369 0.000 0.941 232 N CB 0.827 38.799 38.487 -0.857 0.000 1.122 232 N HN 0.633 nan 8.380 nan 0.000 0.507 233 I N 3.621 124.169 120.570 -0.035 0.000 2.352 233 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 233 I C 1.701 177.889 176.117 0.119 0.000 1.036 233 I CA -0.540 60.777 61.300 0.029 0.000 1.336 233 I CB 0.549 38.550 38.000 0.002 0.000 1.407 233 I HN 0.684 nan 8.210 nan 0.000 0.497 234 C N 6.024 125.417 119.300 0.156 0.000 5.666 234 C HA -0.417 4.043 4.460 -0.000 0.000 0.316 234 C C 2.285 177.460 174.990 0.309 0.000 2.344 234 C CA 1.923 61.090 59.018 0.249 0.000 2.121 234 C CB -1.549 26.374 27.740 0.305 0.000 3.232 234 C HN 0.884 nan 8.230 nan 0.000 0.389 235 Y N 2.282 122.733 120.300 0.251 0.000 2.298 235 Y HA -0.003 4.547 4.550 -0.000 0.000 0.287 235 Y C 2.181 178.307 175.900 0.377 0.000 1.164 235 Y CA 2.749 61.052 58.100 0.338 0.000 1.229 235 Y CB -0.958 37.663 38.460 0.270 0.000 0.977 235 Y HN 0.655 nan 8.280 nan 0.000 0.538 236 G N 0.460 109.427 108.800 0.278 0.000 2.501 236 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 236 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 236 G C 1.759 176.632 174.900 -0.045 0.000 1.114 236 G CA 0.764 45.949 45.100 0.142 0.000 0.757 236 G HN 0.527 nan 8.290 nan 0.000 0.559 237 R N -0.119 120.375 120.500 -0.011 0.000 2.139 237 R HA -0.162 4.178 4.340 -0.000 0.000 0.243 237 R C 1.758 178.123 176.300 0.109 0.000 1.145 237 R CA 1.629 57.775 56.100 0.076 0.000 0.976 237 R CB -0.639 29.671 30.300 0.016 0.000 0.866 237 R HN 0.479 nan 8.270 nan 0.000 0.449 238 H N -0.816 118.212 119.070 -0.070 0.000 2.548 238 H HA 0.034 4.590 4.556 -0.000 0.000 0.268 238 H C -0.042 175.058 175.328 -0.380 0.000 0.975 238 H CA 0.474 56.363 56.048 -0.265 0.000 1.195 238 H CB 0.117 29.547 29.762 -0.553 0.000 1.397 238 H HN 0.378 nan 8.280 nan 0.000 0.572 239 H N 1.836 120.853 119.070 -0.088 0.000 2.724 239 H HA 0.098 4.654 4.556 -0.000 0.000 0.278 239 H C -1.443 173.953 175.328 0.112 0.000 1.159 239 H CA -1.996 53.967 56.048 -0.142 0.000 1.254 239 H CB 1.162 30.575 29.762 -0.583 0.000 1.412 239 H HN 0.121 nan 8.280 nan 0.000 0.488 240 P HA -0.242 nan 4.420 nan 0.000 0.219 240 P C 1.369 178.822 177.300 0.254 0.000 1.146 240 P CA 1.053 64.317 63.100 0.273 0.000 0.808 240 P CB 0.501 32.241 31.700 0.067 0.000 0.779 241 Q N -0.226 119.690 119.800 0.193 0.000 2.224 241 Q HA -0.165 4.175 4.340 -0.000 0.000 0.203 241 Q C 1.706 177.793 176.000 0.145 0.000 0.970 241 Q CA 1.401 57.307 55.803 0.171 0.000 0.865 241 Q CB -1.240 27.614 28.738 0.195 0.000 0.922 241 Q HN 0.163 nan 8.270 nan 0.000 0.445 242 N N 0.614 119.440 118.700 0.210 0.000 2.062 242 N HA -0.129 4.611 4.740 -0.000 0.000 0.191 242 N C 1.371 177.035 175.510 0.256 0.000 1.042 242 N CA 1.697 54.877 53.050 0.217 0.000 0.845 242 N CB -0.556 38.083 38.487 0.254 0.000 1.024 242 N HN 0.339 nan 8.380 nan 0.000 0.424 243 W N 1.198 122.711 121.300 0.354 0.000 2.304 243 W HA -0.183 4.477 4.660 0.000 0.000 0.315 243 W C 2.648 179.380 176.519 0.355 0.000 1.233 243 W CA 1.389 58.997 57.345 0.439 0.000 1.261 243 W CB -0.611 29.000 29.460 0.252 0.000 1.150 243 W HN 0.175 nan 8.180 nan 0.000 0.494 244 M N -0.659 119.169 119.600 0.381 0.000 2.149 244 M HA -0.240 4.240 4.480 -0.000 0.000 0.261 244 M C 2.147 178.502 176.300 0.093 0.000 1.064 244 M CA 1.719 57.134 55.300 0.192 0.000 1.102 244 M CB -0.268 32.373 32.600 0.069 0.000 1.369 244 M HN 0.083 nan 8.290 nan 0.000 0.408 245 M N -0.061 119.484 119.600 -0.091 0.000 2.200 245 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 245 M C 1.416 177.575 176.300 -0.235 0.000 1.066 245 M CA 1.838 56.934 55.300 -0.340 0.000 1.127 245 M CB -0.609 31.435 32.600 -0.927 0.000 1.379 245 M HN 0.332 nan 8.290 nan 0.000 0.420 246 F N -0.480 119.485 119.950 0.025 0.000 2.161 246 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 246 F C 2.343 178.199 175.800 0.093 0.000 1.089 246 F CA 1.289 59.323 58.000 0.056 0.000 1.282 246 F CB -1.351 37.676 39.000 0.045 0.000 1.010 246 F HN 0.305 nan 8.300 nan 0.000 0.485 247 G N 0.479 109.541 108.800 0.436 0.000 2.459 247 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 247 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 247 G C 1.666 176.696 174.900 0.215 0.000 1.183 247 G CA 0.840 46.205 45.100 0.442 0.000 0.776 247 G HN 0.301 nan 8.290 nan 0.000 0.552 248 L N 0.550 121.844 121.223 0.118 0.000 2.187 248 L HA -0.063 4.277 4.340 -0.000 0.000 0.213 248 L C 2.115 179.007 176.870 0.037 0.000 1.100 248 L CA 0.684 55.554 54.840 0.049 0.000 0.765 248 L CB -0.328 41.725 42.059 -0.011 0.000 0.904 248 L HN 0.166 nan 8.230 nan 0.000 0.437 249 N N 0.074 118.798 118.700 0.040 0.000 2.398 249 N HA 0.019 4.759 4.740 -0.000 0.000 0.188 249 N C 1.260 176.799 175.510 0.048 0.000 1.122 249 N CA 0.984 54.049 53.050 0.024 0.000 0.866 249 N CB 0.753 39.242 38.487 0.002 0.000 0.970 249 N HN 0.415 nan 8.380 nan 0.000 0.462 250 G N -0.178 108.673 108.800 0.086 0.000 2.131 250 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.223 250 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.223 250 G C 0.271 175.228 174.900 0.095 0.000 0.990 250 G CA 0.065 45.219 45.100 0.090 0.000 0.671 250 G HN 0.554 nan 8.290 nan 0.000 0.521 251 A N -0.512 122.365 122.820 0.094 0.000 2.466 251 A HA 0.638 4.958 4.320 -0.000 0.000 0.238 251 A C 1.027 178.630 177.584 0.032 0.000 1.074 251 A CA 1.359 53.398 52.037 0.004 0.000 0.774 251 A CB 0.312 19.229 19.000 -0.138 0.000 1.015 251 A HN 0.531 nan 8.150 nan 0.000 0.498 252 E N 0.130 120.332 120.200 0.003 0.000 2.399 252 E HA 0.244 4.594 4.350 -0.000 0.000 0.206 252 E C -0.642 176.019 176.600 0.102 0.000 0.812 252 E CA 0.241 56.712 56.400 0.118 0.000 1.138 252 E CB 0.455 30.224 29.700 0.116 0.000 1.140 252 E HN 0.690 nan 8.360 nan 0.000 0.536 253 I N 1.834 122.355 120.570 -0.081 0.000 2.466 253 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 253 I C -0.979 174.894 176.117 -0.406 0.000 1.026 253 I CA -0.877 60.290 61.300 -0.223 0.000 1.078 253 I CB 2.417 40.198 38.000 -0.366 0.000 1.249 253 I HN -0.232 nan 8.210 nan 0.000 0.429 254 V N 6.715 126.373 119.914 -0.428 0.000 2.326 254 V HA 0.375 4.495 4.120 -0.000 0.000 0.281 254 V C -0.207 175.725 176.094 -0.270 0.000 1.015 254 V CA -0.531 61.540 62.300 -0.382 0.000 0.823 254 V CB 0.802 32.396 31.823 -0.381 0.000 1.009 254 V HN 0.396 nan 8.190 nan 0.000 0.436 255 F N 2.983 122.884 119.950 -0.082 0.000 2.418 255 F HA 0.290 4.817 4.527 -0.000 0.000 0.341 255 F C 1.081 176.837 175.800 -0.072 0.000 1.120 255 F CA 0.127 58.100 58.000 -0.045 0.000 1.232 255 F CB 0.632 39.597 39.000 -0.058 0.000 1.175 255 F HN 0.490 nan 8.300 nan 0.000 0.569 256 N N 3.618 122.429 118.700 0.185 0.000 2.841 256 N HA 0.308 5.048 4.740 -0.000 0.000 0.257 256 N C -2.972 172.616 175.510 0.129 0.000 1.396 256 N CA -1.771 51.332 53.050 0.089 0.000 0.823 256 N CB 0.826 39.390 38.487 0.129 0.000 1.162 256 N HN 0.134 nan 8.380 nan 0.000 0.503 257 P HA 0.098 nan 4.420 nan 0.000 0.271 257 P C -0.685 176.708 177.300 0.155 0.000 1.220 257 P CA 0.200 63.371 63.100 0.120 0.000 0.768 257 P CB 1.210 32.956 31.700 0.075 0.000 0.848 258 S N 1.742 117.552 115.700 0.182 0.000 2.720 258 S HA 0.910 5.380 4.470 -0.000 0.000 0.287 258 S C -1.346 173.291 174.600 0.062 0.000 1.168 258 S CA -0.997 57.319 58.200 0.194 0.000 0.832 258 S CB 1.729 65.131 63.200 0.337 0.000 1.166 258 S HN 0.418 nan 8.310 nan 0.000 0.493 259 A N 1.065 123.901 122.820 0.028 0.000 2.684 259 A HA 0.686 5.006 4.320 -0.000 0.000 0.289 259 A C -0.678 177.046 177.584 0.233 0.000 1.139 259 A CA -0.615 51.362 52.037 -0.100 0.000 0.793 259 A CB 0.422 19.003 19.000 -0.699 0.000 1.334 259 A HN 0.962 nan 8.150 nan 0.000 0.408 260 T N 1.964 116.624 114.554 0.177 0.000 2.881 260 T HA 0.642 4.992 4.350 -0.000 0.000 0.290 260 T C 0.046 174.719 174.700 -0.044 0.000 1.000 260 T CA -0.389 61.786 62.100 0.126 0.000 0.978 260 T CB 1.319 70.205 68.868 0.031 0.000 0.997 260 T HN 0.959 nan 8.240 nan 0.000 0.443 261 I N -0.026 120.550 120.570 0.009 0.000 2.566 261 I HA 0.921 5.091 4.170 -0.000 0.000 0.303 261 I C 0.464 176.692 176.117 0.185 0.000 0.983 261 I CA -0.313 60.918 61.300 -0.115 0.000 1.235 261 I CB 1.045 38.741 38.000 -0.507 0.000 1.386 261 I HN 1.034 nan 8.210 nan 0.000 0.494 262 G N 4.419 113.317 108.800 0.163 0.000 2.354 262 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.582 262 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.582 262 G C 0.217 175.096 174.900 -0.035 0.000 1.316 262 G CA -0.303 44.819 45.100 0.037 0.000 0.995 262 G HN 0.865 nan 8.290 nan 0.000 0.573 263 R N -0.349 120.136 120.500 -0.025 0.000 2.090 263 R HA 0.087 4.427 4.340 -0.000 0.000 0.228 263 R C 2.350 178.629 176.300 -0.035 0.000 1.110 263 R CA 1.618 57.691 56.100 -0.046 0.000 0.973 263 R CB -0.856 29.428 30.300 -0.028 0.000 0.869 263 R HN 0.430 nan 8.270 nan 0.000 0.440 264 L N 1.521 122.747 121.223 0.005 0.000 2.209 264 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 264 L C 2.668 179.561 176.870 0.040 0.000 1.094 264 L CA 1.623 56.476 54.840 0.021 0.000 0.790 264 L CB -0.376 41.707 42.059 0.040 0.000 0.932 264 L HN 0.287 nan 8.230 nan 0.000 0.447 265 S N -1.026 114.711 115.700 0.062 0.000 2.470 265 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 265 S C 1.939 176.602 174.600 0.104 0.000 1.006 265 S CA 0.909 59.194 58.200 0.142 0.000 0.934 265 S CB -0.081 63.246 63.200 0.212 0.000 0.778 265 S HN 0.494 nan 8.310 nan 0.000 0.517 266 E N 1.284 121.391 120.200 -0.155 0.000 2.106 266 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 266 E C -0.880 175.653 176.600 -0.112 0.000 0.984 266 E CA 1.090 57.214 56.400 -0.460 0.000 0.806 266 E CB -0.465 28.763 29.700 -0.786 0.000 0.750 266 E HN 0.506 nan 8.360 nan 0.000 0.458 267 P HA -0.110 nan 4.420 nan 0.000 0.223 267 P C 0.947 178.284 177.300 0.062 0.000 1.151 267 P CA 0.962 64.064 63.100 0.005 0.000 0.787 267 P CB -0.019 31.675 31.700 -0.010 0.000 0.788 268 L N -2.437 118.851 121.223 0.107 0.000 2.376 268 L HA -0.041 4.299 4.340 -0.000 0.000 0.219 268 L C 2.437 179.404 176.870 0.161 0.000 1.133 268 L CA 0.796 55.704 54.840 0.114 0.000 0.816 268 L CB -0.895 41.252 42.059 0.147 0.000 0.933 268 L HN 0.148 nan 8.230 nan 0.000 0.449 269 W N 1.888 123.234 121.300 0.078 0.000 2.358 269 W HA -0.223 4.437 4.660 -0.000 0.000 0.303 269 W C 2.528 179.165 176.519 0.197 0.000 1.208 269 W CA 1.958 59.406 57.345 0.171 0.000 1.274 269 W CB 0.022 29.677 29.460 0.325 0.000 1.138 269 W HN 0.346 nan 8.180 nan 0.000 0.515 270 S N -0.310 115.526 115.700 0.227 0.000 2.561 270 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 270 S C 1.502 176.067 174.600 -0.058 0.000 0.977 270 S CA 0.762 58.998 58.200 0.059 0.000 0.926 270 S CB -0.445 62.738 63.200 -0.029 0.000 0.769 270 S HN 0.114 nan 8.310 nan 0.000 0.533 271 I N 1.704 122.236 120.570 -0.063 0.000 2.681 271 I HA 0.113 4.283 4.170 -0.000 0.000 0.247 271 I C 2.591 178.598 176.117 -0.183 0.000 1.091 271 I CA 0.733 61.964 61.300 -0.116 0.000 1.442 271 I CB -1.379 36.568 38.000 -0.088 0.000 1.219 271 I HN 0.329 nan 8.210 nan 0.000 0.451 272 E N 1.714 121.792 120.200 -0.204 0.000 2.017 272 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 272 E C 2.297 178.633 176.600 -0.439 0.000 0.997 272 E CA 1.559 57.796 56.400 -0.272 0.000 0.804 272 E CB -0.192 29.365 29.700 -0.237 0.000 0.757 272 E HN 0.432 nan 8.360 nan 0.000 0.448 273 A N 1.414 123.970 122.820 -0.441 0.000 1.940 273 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 273 A C 2.105 179.372 177.584 -0.527 0.000 1.176 273 A CA 1.824 53.508 52.037 -0.589 0.000 0.631 273 A CB -0.465 18.249 19.000 -0.476 0.000 0.814 273 A HN 0.050 nan 8.150 nan 0.000 0.446 274 R N 0.443 120.768 120.500 -0.292 0.000 2.070 274 R HA -0.148 4.192 4.340 -0.000 0.000 0.233 274 R C 2.193 178.301 176.300 -0.321 0.000 1.137 274 R CA 1.904 57.876 56.100 -0.213 0.000 0.945 274 R CB -0.538 29.673 30.300 -0.148 0.000 0.845 274 R HN 0.585 nan 8.270 nan 0.000 0.430 275 N N 0.371 118.853 118.700 -0.363 0.000 2.069 275 N HA -0.180 4.560 4.740 -0.000 0.000 0.191 275 N C 1.537 176.760 175.510 -0.478 0.000 1.031 275 N CA 1.925 54.749 53.050 -0.376 0.000 0.852 275 N CB -0.354 37.930 38.487 -0.339 0.000 1.018 275 N HN 0.359 nan 8.380 nan 0.000 0.423 276 A N 0.667 123.063 122.820 -0.706 0.000 1.948 276 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 276 A C 2.430 179.634 177.584 -0.633 0.000 1.177 276 A CA 2.388 53.928 52.037 -0.828 0.000 0.636 276 A CB -1.022 16.892 19.000 -1.810 0.000 0.815 276 A HN 0.495 nan 8.150 nan 0.000 0.449 277 A N -0.376 122.129 122.820 -0.526 0.000 1.897 277 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 277 A C 2.106 179.468 177.584 -0.370 0.000 1.181 277 A CA 1.393 53.180 52.037 -0.417 0.000 0.620 277 A CB -0.542 18.295 19.000 -0.270 0.000 0.821 277 A HN 0.497 nan 8.150 nan 0.000 0.443 278 I N -0.101 120.297 120.570 -0.286 0.000 2.142 278 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 278 I C 2.973 178.984 176.117 -0.177 0.000 1.078 278 I CA 1.186 62.392 61.300 -0.157 0.000 1.343 278 I CB -0.385 37.492 38.000 -0.205 0.000 1.046 278 I HN 0.318 nan 8.210 nan 0.000 0.405 279 A N 0.768 123.369 122.820 -0.365 0.000 1.902 279 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 279 A C 2.003 179.424 177.584 -0.271 0.000 1.181 279 A CA 1.839 53.617 52.037 -0.432 0.000 0.623 279 A CB -0.562 18.201 19.000 -0.395 0.000 0.818 279 A HN 0.458 nan 8.150 nan 0.000 0.443 280 N N -0.382 118.092 118.700 -0.378 0.000 2.353 280 N HA 0.041 4.781 4.740 -0.000 0.000 0.185 280 N C -0.318 174.995 175.510 -0.328 0.000 1.098 280 N CA 0.799 53.618 53.050 -0.386 0.000 0.872 280 N CB 0.277 38.389 38.487 -0.626 0.000 0.970 280 N HN 0.259 nan 8.380 nan 0.000 0.467 281 S N 0.516 116.065 115.700 -0.252 0.000 3.697 281 S HA -0.185 4.285 4.470 -0.000 0.000 0.388 281 S C -0.607 173.957 174.600 -0.059 0.000 0.941 281 S CA 0.656 58.817 58.200 -0.065 0.000 1.247 281 S CB -2.003 61.258 63.200 0.102 0.000 0.904 281 S HN 0.661 nan 8.310 nan 0.000 0.518 282 Y N -3.364 116.916 120.300 -0.033 0.000 2.728 282 Y HA 0.837 5.387 4.550 -0.000 0.000 0.330 282 Y C -0.433 175.364 175.900 -0.170 0.000 1.234 282 Y CA -2.043 56.041 58.100 -0.028 0.000 1.070 282 Y CB 0.588 39.097 38.460 0.081 0.000 1.300 282 Y HN -0.051 nan 8.280 nan 0.000 0.467 283 F N 0.723 120.810 119.950 0.228 0.000 2.375 283 F HA 0.560 5.087 4.527 -0.000 0.000 0.333 283 F C 0.444 176.268 175.800 0.041 0.000 1.104 283 F CA -0.035 57.975 58.000 0.018 0.000 1.149 283 F CB 1.836 40.764 39.000 -0.119 0.000 1.190 283 F HN 0.450 nan 8.300 nan 0.000 0.533 284 T N 2.585 117.218 114.554 0.131 0.000 2.848 284 T HA 0.552 4.902 4.350 -0.000 0.000 0.285 284 T C -1.200 173.498 174.700 -0.003 0.000 0.995 284 T CA -0.540 61.601 62.100 0.067 0.000 0.970 284 T CB 1.066 69.931 68.868 -0.004 0.000 0.976 284 T HN 0.285 nan 8.240 nan 0.000 0.441 285 V N 7.513 127.407 119.914 -0.033 0.000 2.276 285 V HA 0.364 4.484 4.120 -0.000 0.000 0.268 285 V C -2.316 173.816 176.094 0.064 0.000 1.032 285 V CA -1.789 60.532 62.300 0.036 0.000 0.810 285 V CB 0.897 32.818 31.823 0.164 0.000 1.060 285 V HN 0.653 nan 8.190 nan 0.000 0.446 286 P HA 0.405 nan 4.420 nan 0.000 0.282 286 P C -0.553 176.819 177.300 0.120 0.000 1.274 286 P CA 0.121 63.139 63.100 -0.136 0.000 0.770 286 P CB 1.267 32.557 31.700 -0.684 0.000 0.867 287 I N 3.435 124.149 120.570 0.240 0.000 2.493 287 I HA 0.433 4.603 4.170 -0.000 0.000 0.298 287 I C 0.347 176.623 176.117 0.264 0.000 0.998 287 I CA -0.654 60.788 61.300 0.237 0.000 1.137 287 I CB 1.791 39.868 38.000 0.128 0.000 1.310 287 I HN 0.255 nan 8.210 nan 0.000 0.445 288 N N 4.152 122.916 118.700 0.107 0.000 2.235 288 N HA 0.352 5.092 4.740 -0.000 0.000 0.293 288 N C -0.725 174.686 175.510 -0.166 0.000 1.083 288 N CA -0.763 52.210 53.050 -0.129 0.000 0.801 288 N CB 2.262 40.363 38.487 -0.643 0.000 1.559 288 N HN 0.494 nan 8.380 nan 0.000 0.472 289 R N 1.149 121.517 120.500 -0.221 0.000 2.873 289 R HA 0.249 4.589 4.340 -0.000 0.000 0.267 289 R C -0.780 175.409 176.300 -0.184 0.000 1.009 289 R CA 0.142 56.068 56.100 -0.290 0.000 1.152 289 R CB 0.315 30.187 30.300 -0.712 0.000 1.047 289 R HN 0.362 nan 8.270 nan 0.000 0.470 290 V N 1.598 121.437 119.914 -0.125 0.000 3.040 290 V HA 0.673 4.793 4.120 -0.000 0.000 0.312 290 V C -0.141 175.983 176.094 0.051 0.000 1.115 290 V CA 0.640 62.937 62.300 -0.005 0.000 0.998 290 V CB 1.736 33.561 31.823 0.003 0.000 1.042 290 V HN 1.161 nan 8.190 nan 0.000 0.433 291 G N 2.489 111.348 108.800 0.099 0.000 2.796 291 G HA2 0.027 3.987 3.960 -0.000 0.000 0.571 291 G HA3 0.027 3.987 3.960 -0.000 0.000 0.571 291 G C -0.212 174.791 174.900 0.172 0.000 1.370 291 G CA 0.040 45.201 45.100 0.102 0.000 0.856 291 G HN 1.565 nan 8.290 nan 0.000 0.538 292 T N -0.564 114.060 114.554 0.117 0.000 2.863 292 T HA 0.699 5.049 4.350 -0.000 0.000 0.285 292 T C -0.404 174.363 174.700 0.112 0.000 1.009 292 T CA 0.022 62.191 62.100 0.116 0.000 0.989 292 T CB 1.627 70.520 68.868 0.043 0.000 1.004 292 T HN 0.717 nan 8.240 nan 0.000 0.455 293 E N 2.536 122.830 120.200 0.157 0.000 2.238 293 E HA 0.451 4.801 4.350 -0.000 0.000 0.267 293 E C -0.848 175.732 176.600 -0.034 0.000 0.887 293 E CA -0.935 55.479 56.400 0.023 0.000 0.769 293 E CB 2.201 31.913 29.700 0.019 0.000 1.187 293 E HN 0.756 nan 8.360 nan 0.000 0.416 294 Q N 1.846 121.520 119.800 -0.210 0.000 2.356 294 Q HA 0.579 4.919 4.340 -0.000 0.000 0.270 294 Q C -1.403 174.444 176.000 -0.256 0.000 1.058 294 Q CA -0.736 55.015 55.803 -0.088 0.000 0.802 294 Q CB 1.392 30.157 28.738 0.045 0.000 1.303 294 Q HN 0.349 nan 8.270 nan 0.000 0.444 295 F N 1.706 121.743 119.950 0.145 0.000 2.523 295 F HA 0.445 4.972 4.527 0.000 0.000 0.329 295 F C -1.560 174.342 175.800 0.170 0.000 1.061 295 F CA -2.267 55.817 58.000 0.139 0.000 0.967 295 F CB 1.357 40.393 39.000 0.061 0.000 1.218 295 F HN 0.502 nan 8.300 nan 0.000 0.480 296 P HA -0.135 nan 4.420 nan 0.000 0.212 296 P C -0.647 176.782 177.300 0.215 0.000 1.178 296 P CA 1.555 64.810 63.100 0.260 0.000 0.915 296 P CB 0.067 31.924 31.700 0.260 0.000 0.788 297 N N -0.079 118.762 118.700 0.235 0.000 2.404 297 N HA 0.165 4.905 4.740 -0.000 0.000 0.297 297 N C -0.170 175.445 175.510 0.174 0.000 1.163 297 N CA -0.683 52.468 53.050 0.168 0.000 0.864 297 N CB 1.239 39.803 38.487 0.127 0.000 1.247 297 N HN 0.228 nan 8.380 nan 0.000 0.510 298 E N -0.187 120.071 120.200 0.097 0.000 2.404 298 E HA 0.179 4.529 4.350 -0.000 0.000 0.261 298 E C -1.042 175.580 176.600 0.037 0.000 1.074 298 E CA -0.324 56.085 56.400 0.015 0.000 0.917 298 E CB 0.264 29.948 29.700 -0.027 0.000 0.965 298 E HN 0.651 nan 8.360 nan 0.000 0.433 299 Y N -1.439 118.753 120.300 -0.180 0.000 2.597 299 Y HA 0.524 5.074 4.550 -0.000 0.000 0.340 299 Y C -0.812 174.923 175.900 -0.276 0.000 1.097 299 Y CA -1.008 56.962 58.100 -0.217 0.000 1.037 299 Y CB 1.311 39.606 38.460 -0.274 0.000 1.305 299 Y HN 0.654 nan 8.280 nan 0.000 0.463 300 T N -1.246 113.310 114.554 0.003 0.000 2.925 300 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 300 T C 0.025 174.828 174.700 0.172 0.000 1.021 300 T CA -0.521 61.590 62.100 0.018 0.000 1.042 300 T CB 1.509 70.401 68.868 0.040 0.000 1.037 300 T HN 0.695 nan 8.240 nan 0.000 0.481 301 S N 0.812 116.638 115.700 0.211 0.000 2.556 301 S HA 0.405 4.875 4.470 -0.000 0.000 0.216 301 S C 1.810 176.506 174.600 0.160 0.000 0.970 301 S CA 0.123 58.475 58.200 0.252 0.000 0.912 301 S CB -0.263 63.137 63.200 0.333 0.000 0.790 301 S HN 1.477 nan 8.310 nan 0.000 0.504 302 G N 2.639 111.507 108.800 0.112 0.000 2.179 302 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 302 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 302 G C -0.149 174.796 174.900 0.075 0.000 0.977 302 G CA 0.447 45.595 45.100 0.079 0.000 0.641 302 G HN 0.642 nan 8.290 nan 0.000 0.533 303 D N -0.366 120.086 120.400 0.088 0.000 2.440 303 D HA 0.518 5.158 4.640 -0.000 0.000 0.269 303 D C 1.686 178.018 176.300 0.054 0.000 1.249 303 D CA 0.199 54.240 54.000 0.067 0.000 1.055 303 D CB -0.272 40.569 40.800 0.069 0.000 1.104 303 D HN 0.399 nan 8.370 nan 0.000 0.561 304 G N -1.260 107.564 108.800 0.040 0.000 2.534 304 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 304 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 304 G C 0.480 175.399 174.900 0.031 0.000 1.128 304 G CA 0.055 45.173 45.100 0.031 0.000 0.784 304 G HN 0.360 nan 8.290 nan 0.000 0.542 305 N N 0.592 119.313 118.700 0.035 0.000 2.344 305 N HA 0.216 4.956 4.740 -0.000 0.000 0.236 305 N C 0.401 175.938 175.510 0.045 0.000 1.279 305 N CA 0.121 53.187 53.050 0.028 0.000 0.882 305 N CB 0.450 38.942 38.487 0.009 0.000 1.110 305 N HN 0.032 nan 8.380 nan 0.000 0.436 306 K N 0.408 120.828 120.400 0.035 0.000 2.276 306 K HA 0.382 4.702 4.320 -0.000 0.000 0.259 306 K C -0.101 176.559 176.600 0.100 0.000 1.001 306 K CA -0.330 55.983 56.287 0.044 0.000 0.927 306 K CB 0.358 32.873 32.500 0.025 0.000 0.969 306 K HN 0.643 nan 8.250 nan 0.000 0.490 307 A N 2.969 125.819 122.820 0.049 0.000 2.445 307 A HA 0.243 4.563 4.320 -0.000 0.000 0.242 307 A C -0.361 177.224 177.584 0.003 0.000 1.075 307 A CA 0.054 52.075 52.037 -0.027 0.000 0.777 307 A CB -0.134 18.827 19.000 -0.065 0.000 1.013 307 A HN 0.862 nan 8.150 nan 0.000 0.493 308 H N -0.604 118.278 119.070 -0.314 0.000 2.966 308 H HA 0.540 5.096 4.556 0.000 0.000 0.330 308 H C -0.731 174.408 175.328 -0.315 0.000 1.292 308 H CA -0.963 54.927 56.048 -0.263 0.000 1.127 308 H CB 1.168 30.795 29.762 -0.226 0.000 1.863 308 H HN 0.547 nan 8.280 nan 0.000 0.543 309 K N -0.490 119.910 120.400 0.001 0.000 2.399 309 K HA 0.115 4.435 4.320 -0.000 0.000 0.196 309 K C -0.093 176.729 176.600 0.369 0.000 1.103 309 K CA -0.029 56.351 56.287 0.155 0.000 0.986 309 K CB 0.821 33.420 32.500 0.166 0.000 0.952 309 K HN 0.467 nan 8.250 nan 0.000 0.541 310 E N 0.901 121.299 120.200 0.329 0.000 2.338 310 E HA 0.073 4.423 4.350 -0.000 0.000 0.272 310 E C -1.041 175.919 176.600 0.600 0.000 1.029 310 E CA 0.016 56.638 56.400 0.370 0.000 0.872 310 E CB 0.818 30.651 29.700 0.223 0.000 1.015 310 E HN -0.100 nan 8.360 nan 0.000 0.417 311 F N 1.080 121.252 119.950 0.371 0.000 2.536 311 F HA 0.559 5.086 4.527 0.000 0.000 0.322 311 F C 0.199 176.073 175.800 0.123 0.000 1.144 311 F CA 0.090 58.289 58.000 0.331 0.000 0.924 311 F CB 1.451 40.724 39.000 0.455 0.000 1.181 311 F HN 0.605 nan 8.300 nan 0.000 0.438 312 G N 5.354 113.837 108.800 -0.529 0.000 2.320 312 G HA2 0.249 4.209 3.960 -0.000 0.000 0.274 312 G HA3 0.249 4.209 3.960 -0.000 0.000 0.274 312 G C -3.339 171.363 174.900 -0.331 0.000 1.324 312 G CA -0.779 43.940 45.100 -0.635 0.000 0.957 312 G HN 0.505 nan 8.290 nan 0.000 0.481 313 P HA 0.641 nan 4.420 nan 0.000 0.294 313 P C -0.871 176.293 177.300 -0.227 0.000 1.294 313 P CA -0.513 62.481 63.100 -0.177 0.000 0.827 313 P CB 0.733 32.411 31.700 -0.037 0.000 0.992 314 F N 2.064 121.927 119.950 -0.144 0.000 2.543 314 F HA 0.048 4.575 4.527 -0.000 0.000 0.375 314 F C 1.507 177.210 175.800 -0.162 0.000 1.075 314 F CA 0.038 57.913 58.000 -0.209 0.000 1.225 314 F CB 0.157 39.015 39.000 -0.237 0.000 1.099 314 F HN 0.368 nan 8.300 nan 0.000 0.561 315 Y N 1.327 121.593 120.300 -0.055 0.000 2.532 315 Y HA 0.507 5.057 4.550 -0.000 0.000 0.283 315 Y C 1.222 177.033 175.900 -0.148 0.000 1.181 315 Y CA -0.713 57.320 58.100 -0.111 0.000 1.256 315 Y CB -0.823 37.545 38.460 -0.153 0.000 1.112 315 Y HN 0.766 nan 8.280 nan 0.000 0.521 316 G N 1.416 110.072 108.800 -0.240 0.000 2.698 316 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.337 316 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.337 316 G C 0.720 175.516 174.900 -0.174 0.000 1.286 316 G CA 1.523 46.521 45.100 -0.169 0.000 1.000 316 G HN 1.057 nan 8.290 nan 0.000 0.547 317 S N -1.342 114.391 115.700 0.055 0.000 3.812 317 S HA -0.168 4.302 4.470 -0.000 0.000 0.341 317 S C 0.485 175.341 174.600 0.426 0.000 1.057 317 S CA 1.041 59.371 58.200 0.217 0.000 1.015 317 S CB -1.845 61.494 63.200 0.232 0.000 0.893 317 S HN 1.801 nan 8.310 nan 0.000 0.476 318 S N 1.265 117.158 115.700 0.322 0.000 2.568 318 S HA 0.550 5.020 4.470 -0.000 0.000 0.282 318 S C 0.001 174.842 174.600 0.401 0.000 1.338 318 S CA 0.105 58.513 58.200 0.347 0.000 1.045 318 S CB 0.275 63.610 63.200 0.225 0.000 0.873 318 S HN 0.791 nan 8.310 nan 0.000 0.516 319 Y N -1.830 118.639 120.300 0.281 0.000 2.764 319 Y HA 0.763 5.313 4.550 -0.000 0.000 0.331 319 Y C -1.564 174.440 175.900 0.174 0.000 1.280 319 Y CA -1.474 56.745 58.100 0.198 0.000 1.065 319 Y CB 0.716 39.270 38.460 0.156 0.000 1.319 319 Y HN 0.312 nan 8.280 nan 0.000 0.453 320 V N 1.721 121.932 119.914 0.494 0.000 2.540 320 V HA 0.856 4.976 4.120 -0.000 0.000 0.302 320 V C -0.430 175.901 176.094 0.395 0.000 1.035 320 V CA -0.381 62.136 62.300 0.362 0.000 0.873 320 V CB 1.323 33.370 31.823 0.373 0.000 0.992 320 V HN 1.073 nan 8.190 nan 0.000 0.428 321 A N 3.872 126.806 122.820 0.189 0.000 2.317 321 A HA 0.943 5.263 4.320 -0.000 0.000 0.327 321 A C -0.002 177.415 177.584 -0.278 0.000 1.178 321 A CA -0.225 51.830 52.037 0.031 0.000 0.817 321 A CB 1.355 20.383 19.000 0.047 0.000 1.189 321 A HN 1.259 nan 8.150 nan 0.000 0.489 322 A N 3.145 125.681 122.820 -0.473 0.000 2.306 322 A HA 0.790 5.110 4.320 -0.000 0.000 0.330 322 A C -1.610 175.630 177.584 -0.573 0.000 1.146 322 A CA -1.806 49.697 52.037 -0.890 0.000 0.827 322 A CB 0.524 18.968 19.000 -0.927 0.000 1.178 322 A HN 0.559 nan 8.150 nan 0.000 0.490 323 P HA -0.156 nan 4.420 nan 0.000 0.222 323 P C 0.339 177.627 177.300 -0.021 0.000 1.147 323 P CA 1.536 64.446 63.100 -0.317 0.000 0.790 323 P CB 0.044 31.547 31.700 -0.327 0.000 0.780 324 D N -1.480 118.888 120.400 -0.052 0.000 2.340 324 D HA 0.065 4.705 4.640 -0.000 0.000 0.220 324 D C 1.481 177.984 176.300 0.338 0.000 1.039 324 D CA 0.756 54.838 54.000 0.136 0.000 0.866 324 D CB -0.520 40.246 40.800 -0.058 0.000 0.913 324 D HN 0.267 nan 8.370 nan 0.000 0.523 325 G N 0.207 109.095 108.800 0.147 0.000 2.218 325 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 325 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 325 G C 0.391 175.332 174.900 0.068 0.000 0.994 325 G CA 0.235 45.394 45.100 0.099 0.000 0.637 325 G HN 0.730 nan 8.290 nan 0.000 0.505 326 S N -0.066 115.699 115.700 0.108 0.000 2.632 326 S HA 0.812 5.282 4.470 -0.000 0.000 0.267 326 S C 0.077 174.823 174.600 0.243 0.000 1.276 326 S CA 0.412 58.736 58.200 0.206 0.000 0.998 326 S CB 1.625 65.017 63.200 0.321 0.000 0.953 326 S HN 1.446 nan 8.310 nan 0.000 0.547 327 R N -0.734 119.962 120.500 0.326 0.000 2.629 327 R HA 0.515 4.855 4.340 -0.000 0.000 0.266 327 R C -1.309 175.183 176.300 0.319 0.000 1.051 327 R CA -0.764 55.528 56.100 0.320 0.000 0.895 327 R CB 0.315 30.608 30.300 -0.013 0.000 1.246 327 R HN 0.489 nan 8.270 nan 0.000 0.459 328 T N 4.207 118.979 114.554 0.364 0.000 2.940 328 T HA 0.183 4.533 4.350 -0.000 0.000 0.309 328 T C -1.990 172.698 174.700 -0.020 0.000 1.056 328 T CA -0.541 61.562 62.100 0.004 0.000 1.137 328 T CB 0.374 69.299 68.868 0.096 0.000 0.976 328 T HN 0.468 nan 8.240 nan 0.000 0.547 329 P HA 0.106 nan 4.420 nan 0.000 0.270 329 P C -0.257 177.108 177.300 0.109 0.000 1.227 329 P CA -0.306 62.869 63.100 0.125 0.000 0.788 329 P CB 0.457 32.160 31.700 0.005 0.000 0.926 330 S N 0.080 115.909 115.700 0.214 0.000 2.617 330 S HA 0.289 4.759 4.470 -0.000 0.000 0.269 330 S C 0.747 175.502 174.600 0.257 0.000 1.292 330 S CA -0.565 57.814 58.200 0.299 0.000 1.010 330 S CB -0.024 63.371 63.200 0.325 0.000 0.944 330 S HN 0.248 nan 8.310 nan 0.000 0.536 331 L N 1.274 122.658 121.223 0.268 0.000 2.464 331 L HA 0.229 4.569 4.340 -0.000 0.000 0.224 331 L C 1.227 178.207 176.870 0.184 0.000 1.219 331 L CA -0.291 54.682 54.840 0.221 0.000 0.831 331 L CB 0.151 42.332 42.059 0.204 0.000 1.284 331 L HN 0.602 nan 8.230 nan 0.000 0.522 332 S N -0.568 115.223 115.700 0.151 0.000 2.576 332 S HA 0.037 4.507 4.470 -0.000 0.000 0.272 332 S C 1.045 175.713 174.600 0.113 0.000 1.352 332 S CA -0.315 57.960 58.200 0.124 0.000 1.021 332 S CB 0.558 63.823 63.200 0.108 0.000 0.887 332 S HN 0.603 nan 8.310 nan 0.000 0.542 333 R N 1.068 121.630 120.500 0.103 0.000 2.297 333 R HA 0.188 4.528 4.340 -0.000 0.000 0.197 333 R C -0.226 176.124 176.300 0.083 0.000 0.943 333 R CA 0.777 56.937 56.100 0.101 0.000 1.038 333 R CB -0.282 30.081 30.300 0.106 0.000 0.957 333 R HN 0.697 nan 8.270 nan 0.000 0.484 334 D N -0.568 119.877 120.400 0.075 0.000 2.523 334 D HA 0.088 4.728 4.640 -0.000 0.000 0.269 334 D C -0.210 176.130 176.300 0.067 0.000 1.374 334 D CA -0.344 53.696 54.000 0.067 0.000 0.820 334 D CB 0.172 41.008 40.800 0.060 0.000 1.211 334 D HN -0.028 nan 8.370 nan 0.000 0.502 335 K N 0.774 121.220 120.400 0.076 0.000 2.259 335 K HA 0.303 4.623 4.320 -0.000 0.000 0.252 335 K C -0.994 175.665 176.600 0.098 0.000 0.936 335 K CA -0.607 55.732 56.287 0.087 0.000 0.810 335 K CB 1.602 34.158 32.500 0.093 0.000 1.143 335 K HN -0.245 nan 8.250 nan 0.000 0.427 336 D N 1.021 121.486 120.400 0.108 0.000 2.506 336 D HA 0.170 4.810 4.640 -0.000 0.000 0.234 336 D C -0.010 176.396 176.300 0.177 0.000 1.143 336 D CA 1.068 55.133 54.000 0.109 0.000 0.871 336 D CB 1.012 41.877 40.800 0.108 0.000 1.190 336 D HN 0.668 nan 8.370 nan 0.000 0.459 337 G N 0.358 109.240 108.800 0.136 0.000 2.733 337 G HA2 0.489 4.449 3.960 -0.000 0.000 0.297 337 G HA3 0.489 4.449 3.960 -0.000 0.000 0.297 337 G C -1.916 173.077 174.900 0.156 0.000 1.422 337 G CA -0.685 44.533 45.100 0.198 0.000 0.942 337 G HN 0.361 nan 8.290 nan 0.000 0.510 338 L N 1.746 123.109 121.223 0.234 0.000 2.343 338 L HA 0.754 5.094 4.340 -0.000 0.000 0.278 338 L C -1.296 175.672 176.870 0.164 0.000 0.996 338 L CA -1.132 53.808 54.840 0.167 0.000 0.831 338 L CB 1.526 43.725 42.059 0.233 0.000 1.232 338 L HN 0.432 nan 8.230 nan 0.000 0.413 339 L N 6.626 127.942 121.223 0.154 0.000 2.265 339 L HA 0.582 4.922 4.340 -0.000 0.000 0.289 339 L C -0.960 176.013 176.870 0.171 0.000 1.033 339 L CA -0.103 54.858 54.840 0.201 0.000 0.814 339 L CB 1.438 43.643 42.059 0.243 0.000 1.203 339 L HN 0.427 nan 8.230 nan 0.000 0.423 340 V N 6.238 126.244 119.914 0.154 0.000 2.347 340 V HA 0.568 4.688 4.120 -0.000 0.000 0.280 340 V C -0.390 175.796 176.094 0.153 0.000 1.021 340 V CA -0.589 61.776 62.300 0.108 0.000 0.847 340 V CB 1.606 33.452 31.823 0.038 0.000 0.990 340 V HN 0.586 nan 8.190 nan 0.000 0.444 341 V N 4.644 124.663 119.914 0.175 0.000 2.638 341 V HA 0.681 4.801 4.120 -0.000 0.000 0.306 341 V C -0.553 175.629 176.094 0.145 0.000 1.052 341 V CA -0.368 62.066 62.300 0.223 0.000 0.885 341 V CB 1.882 33.936 31.823 0.385 0.000 0.999 341 V HN 0.996 nan 8.190 nan 0.000 0.424 342 E N 5.839 126.115 120.200 0.126 0.000 2.191 342 E HA 0.699 5.049 4.350 -0.000 0.000 0.278 342 E C -1.568 175.103 176.600 0.118 0.000 0.972 342 E CA -0.763 55.678 56.400 0.069 0.000 0.804 342 E CB 1.773 31.493 29.700 0.033 0.000 1.110 342 E HN 0.828 nan 8.360 nan 0.000 0.394 343 L N 1.165 122.400 121.223 0.020 0.000 2.424 343 L HA 0.565 4.905 4.340 -0.000 0.000 0.258 343 L C -0.645 176.195 176.870 -0.051 0.000 0.995 343 L CA -1.062 53.774 54.840 -0.007 0.000 0.821 343 L CB 1.748 43.568 42.059 -0.397 0.000 1.383 343 L HN 0.322 nan 8.230 nan 0.000 0.410 344 D N 1.341 121.770 120.400 0.048 0.000 2.359 344 D HA 0.326 4.966 4.640 -0.000 0.000 0.230 344 D C 0.819 177.163 176.300 0.073 0.000 1.118 344 D CA -0.194 53.839 54.000 0.055 0.000 0.844 344 D CB 1.656 42.512 40.800 0.093 0.000 1.059 344 D HN 0.726 nan 8.370 nan 0.000 0.493 345 L N 3.415 124.648 121.223 0.015 0.000 2.447 345 L HA -0.154 4.186 4.340 -0.000 0.000 0.225 345 L C 1.865 178.818 176.870 0.139 0.000 1.148 345 L CA 0.501 55.380 54.840 0.065 0.000 0.808 345 L CB -0.234 41.842 42.059 0.029 0.000 0.928 345 L HN 0.349 nan 8.230 nan 0.000 0.448 346 N N -0.066 118.697 118.700 0.106 0.000 2.459 346 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 346 N C 1.811 177.372 175.510 0.085 0.000 1.046 346 N CA 0.664 53.763 53.050 0.082 0.000 0.904 346 N CB -0.033 38.484 38.487 0.051 0.000 0.964 346 N HN 0.236 nan 8.380 nan 0.000 0.444 347 L N 1.262 122.566 121.223 0.134 0.000 2.127 347 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 347 L C 2.047 178.946 176.870 0.047 0.000 1.089 347 L CA 1.226 56.121 54.840 0.092 0.000 0.757 347 L CB -0.500 41.660 42.059 0.168 0.000 0.899 347 L HN 0.149 nan 8.230 nan 0.000 0.434 348 C N -1.083 118.292 119.300 0.126 0.000 2.440 348 C HA -0.203 4.257 4.460 -0.000 0.000 0.282 348 C C 2.817 177.838 174.990 0.053 0.000 1.223 348 C CA 1.151 60.227 59.018 0.098 0.000 1.744 348 C CB -1.165 26.686 27.740 0.186 0.000 2.061 348 C HN 0.559 nan 8.230 nan 0.000 0.456 349 R N 0.590 121.125 120.500 0.057 0.000 2.105 349 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 349 R C 2.348 178.648 176.300 -0.002 0.000 1.135 349 R CA 1.678 57.798 56.100 0.033 0.000 0.967 349 R CB -0.367 29.954 30.300 0.035 0.000 0.861 349 R HN 0.654 nan 8.270 nan 0.000 0.442 350 Q N -0.470 119.318 119.800 -0.020 0.000 2.077 350 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 350 Q C 2.155 178.089 176.000 -0.110 0.000 0.989 350 Q CA 2.007 57.770 55.803 -0.067 0.000 0.853 350 Q CB -0.049 28.634 28.738 -0.091 0.000 0.907 350 Q HN 0.217 nan 8.270 nan 0.000 0.418 351 V N 0.988 120.822 119.914 -0.133 0.000 2.358 351 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 351 V C 2.027 178.048 176.094 -0.121 0.000 1.047 351 V CA 1.800 63.977 62.300 -0.205 0.000 1.035 351 V CB -0.403 31.326 31.823 -0.157 0.000 0.658 351 V HN 0.300 nan 8.190 nan 0.000 0.452 352 K N -0.064 120.307 120.400 -0.048 0.000 2.074 352 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 352 K C 1.790 178.364 176.600 -0.044 0.000 1.048 352 K CA 1.971 58.242 56.287 -0.026 0.000 0.926 352 K CB -0.259 32.254 32.500 0.022 0.000 0.713 352 K HN 0.474 nan 8.250 nan 0.000 0.444 353 D N -0.547 119.837 120.400 -0.027 0.000 2.234 353 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 353 D C 1.457 177.759 176.300 0.003 0.000 0.962 353 D CA 0.659 54.653 54.000 -0.009 0.000 0.855 353 D CB -0.037 40.764 40.800 0.002 0.000 0.951 353 D HN 0.072 nan 8.370 nan 0.000 0.500 354 F N -0.406 119.411 119.950 -0.221 0.000 2.147 354 F HA -0.008 4.519 4.527 -0.000 0.000 0.291 354 F C 1.600 177.269 175.800 -0.218 0.000 1.093 354 F CA 0.878 58.711 58.000 -0.278 0.000 1.263 354 F CB -0.052 38.666 39.000 -0.470 0.000 1.036 354 F HN -0.087 nan 8.300 nan 0.000 0.481 355 W N 0.695 121.765 121.300 -0.384 0.000 2.640 355 W HA 0.298 4.958 4.660 -0.000 0.000 0.268 355 W C 1.775 177.918 176.519 -0.627 0.000 1.263 355 W CA 1.213 58.134 57.345 -0.708 0.000 1.344 355 W CB -1.349 27.389 29.460 -1.204 0.000 1.093 355 W HN 0.258 nan 8.180 nan 0.000 0.603 356 G N 0.643 109.308 108.800 -0.225 0.000 2.273 356 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.280 356 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.280 356 G C 0.664 175.572 174.900 0.012 0.000 1.047 356 G CA 0.295 45.339 45.100 -0.093 0.000 0.869 356 G HN 0.321 nan 8.290 nan 0.000 0.502 357 F N -0.326 119.663 119.950 0.065 0.000 2.171 357 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 357 F C 2.847 178.646 175.800 -0.001 0.000 1.090 357 F CA 1.171 59.175 58.000 0.008 0.000 1.293 357 F CB -0.133 38.858 39.000 -0.015 0.000 1.013 357 F HN 0.181 nan 8.300 nan 0.000 0.486 358 R N -0.007 120.604 120.500 0.184 0.000 2.119 358 R HA -0.017 4.323 4.340 -0.000 0.000 0.222 358 R C 2.008 178.353 176.300 0.075 0.000 1.088 358 R CA 0.762 56.927 56.100 0.109 0.000 0.984 358 R CB -0.849 29.505 30.300 0.090 0.000 0.884 358 R HN 0.388 nan 8.270 nan 0.000 0.447 359 M N 0.858 120.497 119.600 0.066 0.000 2.279 359 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 359 M C 1.072 177.402 176.300 0.050 0.000 1.062 359 M CA 1.879 57.206 55.300 0.045 0.000 1.099 359 M CB -0.082 32.536 32.600 0.029 0.000 1.394 359 M HN 0.142 nan 8.290 nan 0.000 0.426 360 T N -4.218 110.380 114.554 0.073 0.000 3.182 360 T HA 0.190 4.540 4.350 -0.000 0.000 0.277 360 T C 1.051 175.797 174.700 0.077 0.000 1.013 360 T CA -0.374 61.767 62.100 0.070 0.000 0.900 360 T CB 0.225 69.138 68.868 0.075 0.000 1.098 360 T HN 0.274 nan 8.240 nan 0.000 0.543 361 Q N 1.644 121.487 119.800 0.071 0.000 2.167 361 Q HA 0.090 4.430 4.340 -0.000 0.000 0.202 361 Q C 0.419 176.498 176.000 0.132 0.000 0.970 361 Q CA 0.549 56.388 55.803 0.060 0.000 0.855 361 Q CB -0.185 28.569 28.738 0.026 0.000 0.911 361 Q HN 0.512 nan 8.270 nan 0.000 0.438 362 R N -0.937 119.627 120.500 0.106 0.000 3.336 362 R HA -0.195 4.145 4.340 -0.000 0.000 0.260 362 R C 0.753 177.136 176.300 0.138 0.000 1.032 362 R CA 0.228 56.387 56.100 0.098 0.000 0.693 362 R CB -2.575 27.771 30.300 0.078 0.000 1.134 362 R HN 0.125 nan 8.270 nan 0.000 0.433 363 V N -0.217 119.751 119.914 0.090 0.000 2.324 363 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 363 V C -0.424 175.672 176.094 0.003 0.000 1.060 363 V CA 2.296 64.626 62.300 0.050 0.000 1.042 363 V CB -0.939 30.882 31.823 -0.004 0.000 0.650 363 V HN 0.322 nan 8.190 nan 0.000 0.450 364 P HA -0.173 nan 4.420 nan 0.000 0.216 364 P C 1.936 179.188 177.300 -0.079 0.000 1.153 364 P CA 1.250 64.326 63.100 -0.040 0.000 0.858 364 P CB -0.118 31.563 31.700 -0.032 0.000 0.789 365 L N -1.716 119.433 121.223 -0.123 0.000 2.046 365 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 365 L C 2.177 178.845 176.870 -0.337 0.000 1.077 365 L CA 1.850 56.544 54.840 -0.243 0.000 0.747 365 L CB -1.458 40.391 42.059 -0.349 0.000 0.896 365 L HN -0.055 nan 8.230 nan 0.000 0.432 366 Y N -0.498 119.667 120.300 -0.226 0.000 2.337 366 Y HA 0.008 4.558 4.550 -0.000 0.000 0.293 366 Y C 2.537 178.093 175.900 -0.573 0.000 1.123 366 Y CA 0.977 58.796 58.100 -0.469 0.000 1.201 366 Y CB -0.644 37.444 38.460 -0.620 0.000 1.011 366 Y HN 0.307 nan 8.280 nan 0.000 0.545 367 A N 0.120 122.816 122.820 -0.206 0.000 1.908 367 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 367 A C 2.040 179.601 177.584 -0.038 0.000 1.181 367 A CA 2.111 54.075 52.037 -0.122 0.000 0.627 367 A CB -0.513 18.447 19.000 -0.066 0.000 0.818 367 A HN 0.358 nan 8.150 nan 0.000 0.445 368 E N 0.285 120.457 120.200 -0.048 0.000 2.046 368 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 368 E C 2.294 178.919 176.600 0.041 0.000 0.982 368 E CA 1.543 57.940 56.400 -0.005 0.000 0.800 368 E CB -0.378 29.305 29.700 -0.029 0.000 0.756 368 E HN 0.502 nan 8.360 nan 0.000 0.449 369 S N -0.227 115.490 115.700 0.028 0.000 2.382 369 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 369 S C 1.878 176.643 174.600 0.275 0.000 1.027 369 S CA 1.052 59.330 58.200 0.129 0.000 0.991 369 S CB -0.460 62.806 63.200 0.110 0.000 0.823 369 S HN 0.325 nan 8.310 nan 0.000 0.469 370 F N 1.575 121.530 119.950 0.009 0.000 2.206 370 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 370 F C 2.668 178.433 175.800 -0.057 0.000 1.090 370 F CA 0.515 58.500 58.000 -0.025 0.000 1.323 370 F CB -0.057 38.952 39.000 0.014 0.000 1.028 370 F HN 0.116 nan 8.300 nan 0.000 0.492 371 K N 1.165 121.673 120.400 0.179 0.000 2.026 371 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 371 K C 1.907 178.540 176.600 0.055 0.000 1.048 371 K CA 1.245 57.587 56.287 0.092 0.000 0.929 371 K CB -0.127 32.420 32.500 0.078 0.000 0.713 371 K HN 0.111 nan 8.250 nan 0.000 0.439 372 K N 0.311 120.754 120.400 0.072 0.000 2.057 372 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 372 K C 2.154 178.755 176.600 0.001 0.000 1.049 372 K CA 1.208 57.560 56.287 0.110 0.000 0.931 372 K CB -0.359 32.250 32.500 0.181 0.000 0.714 372 K HN 0.220 nan 8.250 nan 0.000 0.440 373 A N 1.730 124.365 122.820 -0.307 0.000 2.015 373 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 373 A C 2.253 179.460 177.584 -0.628 0.000 1.163 373 A CA 1.991 53.380 52.037 -1.080 0.000 0.646 373 A CB -0.453 18.021 19.000 -0.878 0.000 0.806 373 A HN 0.423 nan 8.150 nan 0.000 0.448 374 S N -0.600 114.940 115.700 -0.267 0.000 2.496 374 S HA 0.057 4.527 4.470 -0.000 0.000 0.224 374 S C 0.644 175.193 174.600 -0.086 0.000 0.996 374 S CA 0.137 58.243 58.200 -0.158 0.000 0.927 374 S CB -0.153 63.002 63.200 -0.075 0.000 0.774 374 S HN 0.614 nan 8.310 nan 0.000 0.524 375 E N 0.445 120.640 120.200 -0.009 0.000 2.392 375 E HA 0.178 4.528 4.350 -0.000 0.000 0.256 375 E C 0.897 177.560 176.600 0.105 0.000 1.145 375 E CA -0.251 56.208 56.400 0.097 0.000 0.929 375 E CB 0.375 30.160 29.700 0.142 0.000 0.998 375 E HN 0.364 nan 8.360 nan 0.000 0.442 376 H N 1.392 120.511 119.070 0.082 0.000 2.357 376 H HA -0.058 4.498 4.556 0.000 0.000 0.301 376 H C 1.558 176.949 175.328 0.105 0.000 1.082 376 H CA 1.106 57.204 56.048 0.082 0.000 1.342 376 H CB 0.131 29.925 29.762 0.055 0.000 1.389 376 H HN 0.642 nan 8.280 nan 0.000 0.511 377 G N 0.611 109.544 108.800 0.221 0.000 3.155 377 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.213 377 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.213 377 G C 0.086 175.069 174.900 0.138 0.000 1.196 377 G CA -0.469 44.718 45.100 0.146 0.000 0.846 377 G HN 0.125 nan 8.290 nan 0.000 0.516 378 F N 1.755 121.727 119.950 0.035 0.000 2.557 378 F HA 0.308 4.835 4.527 -0.000 0.000 0.384 378 F C 0.509 176.320 175.800 0.017 0.000 1.057 378 F CA -0.478 57.535 58.000 0.022 0.000 1.169 378 F CB 0.432 39.437 39.000 0.008 0.000 1.070 378 F HN -0.131 nan 8.300 nan 0.000 0.554 379 K N 8.295 128.286 120.400 -0.681 0.000 2.367 379 K HA 0.349 4.669 4.320 -0.000 0.000 0.263 379 K C -2.325 173.685 176.600 -0.982 0.000 1.000 379 K CA -1.777 54.121 56.287 -0.648 0.000 0.891 379 K CB 1.008 33.339 32.500 -0.283 0.000 1.117 379 K HN 0.392 nan 8.250 nan 0.000 0.443 380 P HA -0.078 nan 4.420 nan 0.000 0.267 380 P C -0.668 176.492 177.300 -0.232 0.000 1.200 380 P CA -0.293 62.466 63.100 -0.568 0.000 0.772 380 P CB 0.522 32.118 31.700 -0.175 0.000 0.855 381 Q N 2.071 121.832 119.800 -0.065 0.000 3.004 381 Q HA 0.183 4.523 4.340 -0.000 0.000 0.256 381 Q C -0.658 175.335 176.000 -0.012 0.000 1.387 381 Q CA -0.065 55.725 55.803 -0.023 0.000 0.962 381 Q CB -0.770 27.987 28.738 0.032 0.000 1.676 381 Q HN 0.442 nan 8.270 nan 0.000 0.568 382 I N 3.166 123.715 120.570 -0.035 0.000 2.336 382 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 382 I C -0.199 175.906 176.117 -0.020 0.000 0.991 382 I CA -0.627 60.660 61.300 -0.021 0.000 1.227 382 I CB 1.423 39.407 38.000 -0.026 0.000 1.366 382 I HN 0.355 nan 8.210 nan 0.000 0.466 383 I N 7.306 127.869 120.570 -0.011 0.000 2.321 383 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 383 I C 0.125 176.237 176.117 -0.009 0.000 0.998 383 I CA -0.552 60.742 61.300 -0.011 0.000 1.227 383 I CB 0.726 38.722 38.000 -0.006 0.000 1.368 383 I HN 0.480 nan 8.210 nan 0.000 0.466 384 K N 4.701 125.094 120.400 -0.011 0.000 2.106 384 K HA 0.351 4.671 4.320 -0.000 0.000 0.246 384 K C -0.195 176.400 176.600 -0.008 0.000 0.987 384 K CA -0.833 55.449 56.287 -0.010 0.000 0.904 384 K CB 1.373 33.866 32.500 -0.012 0.000 1.071 384 K HN 0.507 nan 8.250 nan 0.000 0.453 385 E N 1.236 121.432 120.200 -0.007 0.000 2.290 385 E HA 0.017 4.367 4.350 -0.000 0.000 0.277 385 E C -0.494 176.102 176.600 -0.006 0.000 1.035 385 E CA 0.071 56.468 56.400 -0.006 0.000 0.873 385 E CB 1.114 30.812 29.700 -0.005 0.000 1.029 385 E HN 0.359 nan 8.360 nan 0.000 0.419 386 T N 0.000 114.550 114.554 -0.006 0.000 3.816 386 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 386 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 386 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 386 T HN 0.000 nan 8.240 nan 0.000 0.658