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 3ajb_1_A DATA FIRST_RESID 52 DATA SEQUENCE ARRQYHFESN QRTCNMTVLS MLPTLREALM QQLNSESLTA LLKNRPSNKL DATA SEQUENCE EIWEDLKIIS FTRSTVAVYS TCMLVVLLRV QLNIIGGYIY LDNAAVGKNG DATA SEQUENCE TTILAPPDVQ QQYLSSIQHL LGDGLTELIT VIKQAVQKVL GSVSLKHSLS DATA SEQUENCE LLDLEQKLKE IRNLVEQXXX XXXXXXXXXK PLLCHYMMPD EETPLAVQAC DATA SEQUENCE GLSPRDITTI KLLNETRDML ESPDFSTVLN TCLNRGFSRL LDNMAEFFRP DATA SEQUENCE XXXXXXXXXX XXSLSSVSLP LAKIIPIVNG QIHSVCSETP SHFVQDLLTM DATA SEQUENCE EQVKDFAANV YEAFSTP 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 52 A HA 0.000 nan 4.320 nan 0.000 0.244 52 A C 0.000 177.633 177.584 0.082 0.000 1.274 52 A CA 0.000 52.069 52.037 0.053 0.000 0.836 52 A CB 0.000 19.043 19.000 0.072 0.000 0.831 53 R N 0.538 121.114 120.500 0.127 0.000 2.404 53 R HA 0.280 4.620 4.340 -0.000 0.000 0.236 53 R C 1.372 177.840 176.300 0.280 0.000 1.044 53 R CA 1.229 57.434 56.100 0.175 0.000 1.133 53 R CB -1.208 29.192 30.300 0.168 0.000 1.142 53 R HN 0.580 nan 8.270 nan 0.000 0.512 54 R N -1.442 119.163 120.500 0.174 0.000 2.066 54 R HA -0.102 4.238 4.340 -0.000 0.000 0.224 54 R C 2.532 178.966 176.300 0.224 0.000 1.122 54 R CA 1.095 57.279 56.100 0.140 0.000 0.974 54 R CB -0.185 30.116 30.300 0.001 0.000 0.871 54 R HN 0.465 nan 8.270 nan 0.000 0.435 55 Q N 0.286 120.183 119.800 0.163 0.000 2.152 55 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 55 Q C 1.807 177.943 176.000 0.226 0.000 0.985 55 Q CA 2.056 57.956 55.803 0.163 0.000 0.863 55 Q CB -0.590 28.217 28.738 0.115 0.000 0.904 55 Q HN 0.629 nan 8.270 nan 0.000 0.422 56 Y N -0.280 120.091 120.300 0.118 0.000 2.114 56 Y HA -0.216 4.334 4.550 -0.000 0.000 0.284 56 Y C 2.431 178.404 175.900 0.122 0.000 1.143 56 Y CA 2.382 60.548 58.100 0.109 0.000 1.135 56 Y CB -0.739 37.791 38.460 0.116 0.000 0.980 56 Y HN 0.581 nan 8.280 nan 0.000 0.499 57 H N -0.804 118.328 119.070 0.103 0.000 2.353 57 H HA -0.218 4.338 4.556 -0.000 0.000 0.300 57 H C 2.155 177.401 175.328 -0.136 0.000 1.090 57 H CA 1.731 57.796 56.048 0.029 0.000 1.327 57 H CB -0.554 29.408 29.762 0.333 0.000 1.383 57 H HN 0.505 nan 8.280 nan 0.000 0.508 58 F N 2.295 121.985 119.950 -0.433 0.000 2.095 58 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 58 F C 2.553 178.082 175.800 -0.452 0.000 1.104 58 F CA 1.864 59.391 58.000 -0.789 0.000 1.232 58 F CB -0.585 37.911 39.000 -0.840 0.000 0.987 58 F HN 0.027 nan 8.300 nan 0.000 0.475 59 E N -0.121 119.859 120.200 -0.366 0.000 2.058 59 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 59 E C 2.456 178.817 176.600 -0.398 0.000 0.997 59 E CA 1.341 57.517 56.400 -0.374 0.000 0.801 59 E CB -0.985 28.628 29.700 -0.146 0.000 0.746 59 E HN 0.635 nan 8.360 nan 0.000 0.450 60 S N 1.015 116.492 115.700 -0.372 0.000 2.368 60 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 60 S C 1.990 176.391 174.600 -0.331 0.000 1.030 60 S CA 1.361 59.372 58.200 -0.315 0.000 0.999 60 S CB -0.563 62.460 63.200 -0.295 0.000 0.844 60 S HN 0.407 nan 8.310 nan 0.000 0.459 61 N N 1.262 119.697 118.700 -0.442 0.000 2.205 61 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 61 N C 1.740 177.032 175.510 -0.364 0.000 1.015 61 N CA 1.079 53.891 53.050 -0.397 0.000 0.862 61 N CB -0.211 37.991 38.487 -0.476 0.000 0.986 61 N HN 0.181 nan 8.380 nan 0.000 0.429 62 Q N 0.365 119.863 119.800 -0.503 0.000 2.124 62 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 62 Q C 1.873 177.733 176.000 -0.232 0.000 0.977 62 Q CA 1.266 56.825 55.803 -0.406 0.000 0.850 62 Q CB -0.258 28.171 28.738 -0.516 0.000 0.901 62 Q HN 0.590 nan 8.270 nan 0.000 0.429 63 R N -0.497 119.877 120.500 -0.211 0.000 2.153 63 R HA 0.067 4.407 4.340 -0.000 0.000 0.218 63 R C 2.135 178.371 176.300 -0.107 0.000 1.072 63 R CA 1.178 57.196 56.100 -0.136 0.000 0.990 63 R CB -0.538 29.688 30.300 -0.124 0.000 0.889 63 R HN 0.139 nan 8.270 nan 0.000 0.452 64 T N 1.192 115.674 114.554 -0.121 0.000 2.720 64 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 64 T C 2.054 176.717 174.700 -0.062 0.000 1.037 64 T CA 1.546 63.596 62.100 -0.083 0.000 1.144 64 T CB -0.429 68.389 68.868 -0.083 0.000 0.864 64 T HN 0.405 nan 8.240 nan 0.000 0.444 65 C N 2.110 121.366 119.300 -0.075 0.000 2.429 65 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 65 C C 2.618 177.589 174.990 -0.032 0.000 1.262 65 C CA 0.672 59.664 59.018 -0.044 0.000 1.733 65 C CB -1.444 26.267 27.740 -0.048 0.000 2.010 65 C HN 0.492 nan 8.230 nan 0.000 0.483 66 N N 0.496 119.168 118.700 -0.046 0.000 2.084 66 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 66 N C 2.021 177.517 175.510 -0.024 0.000 1.030 66 N CA 1.992 55.023 53.050 -0.032 0.000 0.849 66 N CB -0.806 37.655 38.487 -0.043 0.000 1.012 66 N HN 0.437 nan 8.380 nan 0.000 0.423 67 M N 0.688 120.269 119.600 -0.032 0.000 2.082 67 M HA -0.113 4.367 4.480 -0.000 0.000 0.258 67 M C 2.445 178.735 176.300 -0.017 0.000 1.069 67 M CA 1.768 57.054 55.300 -0.024 0.000 1.102 67 M CB -1.814 30.770 32.600 -0.028 0.000 1.336 67 M HN 0.364 nan 8.290 nan 0.000 0.404 68 T N 0.447 114.991 114.554 -0.017 0.000 2.684 68 T HA -0.144 4.205 4.350 -0.000 0.000 0.267 68 T C 1.920 176.616 174.700 -0.006 0.000 1.036 68 T CA 1.804 63.897 62.100 -0.011 0.000 1.148 68 T CB -0.703 68.158 68.868 -0.010 0.000 0.863 68 T HN 0.393 nan 8.240 nan 0.000 0.436 69 V N 1.878 121.792 119.914 -0.001 0.000 2.252 69 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 69 V C 2.542 178.637 176.094 0.002 0.000 1.056 69 V CA 1.695 63.999 62.300 0.006 0.000 1.022 69 V CB -0.883 30.950 31.823 0.015 0.000 0.641 69 V HN 0.442 nan 8.190 nan 0.000 0.445 70 L N 0.028 121.251 121.223 -0.001 0.000 2.083 70 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 70 L C 2.694 179.561 176.870 -0.006 0.000 1.083 70 L CA 1.767 56.606 54.840 -0.002 0.000 0.752 70 L CB -0.760 41.297 42.059 -0.003 0.000 0.899 70 L HN 0.398 nan 8.230 nan 0.000 0.433 71 S N -0.287 115.409 115.700 -0.008 0.000 2.399 71 S HA -0.142 4.327 4.470 -0.000 0.000 0.231 71 S C 1.901 176.495 174.600 -0.010 0.000 1.022 71 S CA 1.312 59.507 58.200 -0.009 0.000 0.983 71 S CB -0.065 63.129 63.200 -0.010 0.000 0.803 71 S HN 0.347 nan 8.310 nan 0.000 0.480 72 M N -0.025 119.569 119.600 -0.010 0.000 2.492 72 M HA 0.254 4.734 4.480 -0.000 0.000 0.255 72 M C 1.658 177.948 176.300 -0.017 0.000 1.139 72 M CA 0.130 55.422 55.300 -0.013 0.000 1.096 72 M CB 0.001 32.594 32.600 -0.011 0.000 1.360 72 M HN 0.263 nan 8.290 nan 0.000 0.480 73 L N 0.491 121.704 121.223 -0.017 0.000 2.079 73 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 73 L C -0.628 176.222 176.870 -0.034 0.000 1.081 73 L CA 1.606 56.429 54.840 -0.028 0.000 0.752 73 L CB -1.784 40.259 42.059 -0.027 0.000 0.896 73 L HN 0.153 nan 8.230 nan 0.000 0.433 74 P HA -0.144 nan 4.420 nan 0.000 0.215 74 P C 1.588 178.871 177.300 -0.029 0.000 1.153 74 P CA 1.489 64.574 63.100 -0.025 0.000 0.853 74 P CB -0.092 31.599 31.700 -0.016 0.000 0.788 75 T N -0.006 114.532 114.554 -0.026 0.000 2.708 75 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 75 T C 1.698 176.377 174.700 -0.036 0.000 1.037 75 T CA 1.029 63.112 62.100 -0.028 0.000 1.146 75 T CB -0.984 67.870 68.868 -0.023 0.000 0.865 75 T HN 0.000 nan 8.240 nan 0.000 0.435 76 L N 1.401 122.600 121.223 -0.039 0.000 1.989 76 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 76 L C 2.538 179.369 176.870 -0.064 0.000 1.071 76 L CA 1.841 56.652 54.840 -0.049 0.000 0.749 76 L CB -0.613 41.418 42.059 -0.047 0.000 0.890 76 L HN 0.068 nan 8.230 nan 0.000 0.431 77 R N -0.693 119.764 120.500 -0.072 0.000 2.080 77 R HA -0.221 4.119 4.340 -0.000 0.000 0.236 77 R C 2.418 178.670 176.300 -0.080 0.000 1.137 77 R CA 1.883 57.927 56.100 -0.094 0.000 0.943 77 R CB -0.507 29.738 30.300 -0.092 0.000 0.846 77 R HN 0.503 nan 8.270 nan 0.000 0.431 78 E N -0.336 119.830 120.200 -0.056 0.000 2.118 78 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 78 E C 1.716 178.289 176.600 -0.045 0.000 0.992 78 E CA 1.159 57.533 56.400 -0.044 0.000 0.804 78 E CB -0.301 29.381 29.700 -0.030 0.000 0.741 78 E HN 0.615 nan 8.360 nan 0.000 0.458 79 A N 0.215 123.007 122.820 -0.047 0.000 1.897 79 A HA 0.080 4.400 4.320 -0.000 0.000 0.215 79 A C 2.417 179.971 177.584 -0.051 0.000 1.181 79 A CA 1.369 53.380 52.037 -0.044 0.000 0.620 79 A CB -0.619 18.355 19.000 -0.043 0.000 0.821 79 A HN 0.481 nan 8.150 nan 0.000 0.443 80 L N -0.845 120.340 121.223 -0.063 0.000 1.989 80 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 80 L C 2.909 179.736 176.870 -0.071 0.000 1.071 80 L CA 1.909 56.707 54.840 -0.070 0.000 0.749 80 L CB -0.496 41.510 42.059 -0.090 0.000 0.890 80 L HN 0.435 nan 8.230 nan 0.000 0.431 81 M N -1.365 118.186 119.600 -0.082 0.000 2.202 81 M HA -0.233 4.247 4.480 -0.000 0.000 0.262 81 M C 2.406 178.676 176.300 -0.051 0.000 1.063 81 M CA 1.496 56.752 55.300 -0.074 0.000 1.097 81 M CB -0.446 32.107 32.600 -0.079 0.000 1.382 81 M HN 0.220 nan 8.290 nan 0.000 0.413 82 Q N -0.149 119.625 119.800 -0.043 0.000 2.123 82 Q HA -0.101 4.239 4.340 -0.000 0.000 0.199 82 Q C 1.926 177.906 176.000 -0.032 0.000 0.966 82 Q CA 1.153 56.935 55.803 -0.034 0.000 0.845 82 Q CB -0.331 28.390 28.738 -0.029 0.000 0.907 82 Q HN 0.687 nan 8.270 nan 0.000 0.439 83 Q N -0.885 118.894 119.800 -0.035 0.000 2.398 83 Q HA 0.201 4.541 4.340 -0.000 0.000 0.204 83 Q C 0.366 176.348 176.000 -0.030 0.000 0.932 83 Q CA 0.493 56.278 55.803 -0.030 0.000 0.916 83 Q CB 0.479 29.198 28.738 -0.031 0.000 1.024 83 Q HN 0.352 nan 8.270 nan 0.000 0.504 84 L N 1.606 122.806 121.223 -0.037 0.000 2.594 84 L HA 0.291 4.630 4.340 -0.000 0.000 0.245 84 L C -0.590 176.253 176.870 -0.045 0.000 1.460 84 L CA -0.527 54.292 54.840 -0.036 0.000 0.865 84 L CB 0.743 42.781 42.059 -0.036 0.000 1.131 84 L HN -0.053 nan 8.230 nan 0.000 0.506 85 N N 0.490 119.165 118.700 -0.042 0.000 2.555 85 N HA 0.063 4.803 4.740 -0.000 0.000 0.244 85 N C 1.066 176.544 175.510 -0.053 0.000 1.114 85 N CA 0.044 53.066 53.050 -0.045 0.000 0.963 85 N CB 1.058 39.522 38.487 -0.039 0.000 1.276 85 N HN 0.438 nan 8.380 nan 0.000 0.510 86 S N 2.009 117.673 115.700 -0.061 0.000 2.458 86 S HA 0.011 4.481 4.470 -0.000 0.000 0.223 86 S C 1.260 175.807 174.600 -0.089 0.000 1.019 86 S CA 0.288 58.440 58.200 -0.080 0.000 0.937 86 S CB 0.020 63.172 63.200 -0.079 0.000 0.788 86 S HN 0.367 nan 8.310 nan 0.000 0.511 87 E N 2.492 122.654 120.200 -0.063 0.000 2.204 87 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 87 E C 2.306 178.869 176.600 -0.062 0.000 0.990 87 E CA 1.219 57.586 56.400 -0.056 0.000 0.821 87 E CB -0.402 29.282 29.700 -0.026 0.000 0.750 87 E HN 0.776 nan 8.360 nan 0.000 0.477 88 S N 0.119 115.783 115.700 -0.059 0.000 2.387 88 S HA -0.069 4.400 4.470 -0.000 0.000 0.226 88 S C 1.970 176.525 174.600 -0.075 0.000 1.026 88 S CA 0.570 58.736 58.200 -0.056 0.000 0.972 88 S CB -0.419 62.755 63.200 -0.045 0.000 0.814 88 S HN 0.219 nan 8.310 nan 0.000 0.477 89 L N 2.079 123.243 121.223 -0.098 0.000 2.131 89 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 89 L C 3.223 179.984 176.870 -0.182 0.000 1.092 89 L CA 1.621 56.379 54.840 -0.136 0.000 0.759 89 L CB -1.486 40.476 42.059 -0.161 0.000 0.903 89 L HN 0.618 nan 8.230 nan 0.000 0.435 90 T N -2.588 111.856 114.554 -0.183 0.000 2.904 90 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 90 T C 1.922 176.554 174.700 -0.113 0.000 1.059 90 T CA 0.834 62.820 62.100 -0.190 0.000 1.137 90 T CB -0.166 68.602 68.868 -0.166 0.000 0.879 90 T HN 0.287 nan 8.240 nan 0.000 0.467 91 A N 0.978 123.747 122.820 -0.084 0.000 2.015 91 A HA 0.236 4.556 4.320 -0.000 0.000 0.219 91 A C 2.241 179.796 177.584 -0.049 0.000 1.163 91 A CA 0.890 52.894 52.037 -0.055 0.000 0.646 91 A CB -0.749 18.224 19.000 -0.044 0.000 0.806 91 A HN 0.443 nan 8.150 nan 0.000 0.448 92 L N -0.459 120.727 121.223 -0.062 0.000 2.109 92 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 92 L C 2.272 179.117 176.870 -0.042 0.000 1.086 92 L CA 1.385 56.195 54.840 -0.050 0.000 0.760 92 L CB -0.520 41.504 42.059 -0.058 0.000 0.910 92 L HN 0.389 nan 8.230 nan 0.000 0.437 93 L N -1.464 119.719 121.223 -0.067 0.000 2.217 93 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 93 L C 2.384 179.256 176.870 0.003 0.000 1.107 93 L CA 0.784 55.605 54.840 -0.032 0.000 0.783 93 L CB -0.467 41.542 42.059 -0.084 0.000 0.919 93 L HN 0.171 nan 8.230 nan 0.000 0.442 94 K N 0.087 120.479 120.400 -0.013 0.000 2.057 94 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 94 K C 0.803 177.407 176.600 0.006 0.000 1.049 94 K CA 1.085 57.373 56.287 0.001 0.000 0.931 94 K CB -0.164 32.331 32.500 -0.009 0.000 0.714 94 K HN 0.216 nan 8.250 nan 0.000 0.440 95 N N 1.533 120.233 118.700 -0.001 0.000 3.050 95 N HA 0.093 4.833 4.740 -0.000 0.000 0.289 95 N C -0.408 175.108 175.510 0.010 0.000 1.209 95 N CA -0.063 52.989 53.050 0.003 0.000 1.154 95 N CB 0.057 38.543 38.487 -0.003 0.000 1.444 95 N HN 0.313 nan 8.380 nan 0.000 0.529 96 R N 1.685 122.197 120.500 0.020 0.000 2.730 96 R HA 0.024 4.364 4.340 -0.000 0.000 0.327 96 R C -1.903 174.414 176.300 0.027 0.000 0.825 96 R CA -0.042 56.077 56.100 0.032 0.000 1.130 96 R CB -1.513 28.810 30.300 0.038 0.000 0.883 96 R HN 0.459 nan 8.270 nan 0.000 0.407 97 P HA 0.595 nan 4.420 nan 0.000 0.317 97 P C 0.859 178.179 177.300 0.032 0.000 1.301 97 P CA 0.223 63.337 63.100 0.024 0.000 0.799 97 P CB 1.263 32.973 31.700 0.016 0.000 1.344 98 S N 0.412 116.128 115.700 0.026 0.000 2.336 98 S HA -0.086 4.384 4.470 -0.000 0.000 0.216 98 S C 1.171 175.794 174.600 0.038 0.000 1.032 98 S CA 1.084 59.301 58.200 0.028 0.000 0.973 98 S CB -1.212 62.000 63.200 0.020 0.000 0.888 98 S HN 0.702 nan 8.310 nan 0.000 0.455 99 N N 1.851 120.573 118.700 0.036 0.000 2.843 99 N HA 0.027 4.767 4.740 -0.000 0.000 0.284 99 N C 0.627 176.178 175.510 0.068 0.000 1.274 99 N CA 0.249 53.326 53.050 0.045 0.000 1.045 99 N CB 0.120 38.626 38.487 0.031 0.000 1.370 99 N HN 0.768 nan 8.380 nan 0.000 0.525 100 K N -0.602 119.856 120.400 0.096 0.000 2.147 100 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 100 K C 1.565 178.323 176.600 0.263 0.000 1.049 100 K CA 0.494 56.884 56.287 0.173 0.000 0.936 100 K CB -0.162 32.462 32.500 0.208 0.000 0.722 100 K HN 0.147 nan 8.250 nan 0.000 0.446 101 L N 2.042 123.371 121.223 0.176 0.000 2.017 101 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 101 L C 2.894 179.860 176.870 0.159 0.000 1.073 101 L CA 2.716 57.655 54.840 0.164 0.000 0.745 101 L CB -1.011 41.098 42.059 0.084 0.000 0.894 101 L HN 0.512 nan 8.230 nan 0.000 0.432 102 E N -0.215 120.047 120.200 0.103 0.000 2.085 102 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 102 E C 2.059 178.700 176.600 0.068 0.000 0.994 102 E CA 2.093 58.536 56.400 0.072 0.000 0.801 102 E CB -1.076 28.651 29.700 0.044 0.000 0.743 102 E HN 0.675 nan 8.360 nan 0.000 0.453 103 I N -1.865 118.739 120.570 0.057 0.000 2.315 103 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 103 I C 2.572 178.666 176.117 -0.039 0.000 1.117 103 I CA 1.168 62.456 61.300 -0.019 0.000 1.404 103 I CB -0.223 37.732 38.000 -0.075 0.000 1.071 103 I HN 0.399 nan 8.210 nan 0.000 0.419 104 W N 1.461 122.769 121.300 0.013 0.000 2.358 104 W HA -0.156 4.504 4.660 -0.000 0.000 0.303 104 W C 2.592 179.124 176.519 0.022 0.000 1.208 104 W CA 0.861 58.217 57.345 0.018 0.000 1.274 104 W CB -0.073 29.397 29.460 0.017 0.000 1.138 104 W HN 0.033 nan 8.180 nan 0.000 0.515 105 E N -0.196 120.145 120.200 0.235 0.000 2.204 105 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 105 E C 1.500 178.155 176.600 0.092 0.000 0.990 105 E CA 1.227 57.712 56.400 0.143 0.000 0.821 105 E CB -0.464 29.292 29.700 0.094 0.000 0.750 105 E HN 0.430 nan 8.360 nan 0.000 0.477 106 D N 0.597 121.033 120.400 0.060 0.000 2.091 106 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 106 D C 2.035 178.347 176.300 0.020 0.000 0.980 106 D CA 0.483 54.497 54.000 0.023 0.000 0.831 106 D CB 0.101 40.895 40.800 -0.009 0.000 0.987 106 D HN 0.072 nan 8.370 nan 0.000 0.460 107 L N 1.818 123.032 121.223 -0.015 0.000 2.127 107 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 107 L C 2.253 179.175 176.870 0.086 0.000 1.089 107 L CA 1.599 56.413 54.840 -0.044 0.000 0.757 107 L CB -0.558 41.354 42.059 -0.244 0.000 0.899 107 L HN -0.071 nan 8.230 nan 0.000 0.434 108 K N -0.678 119.822 120.400 0.167 0.000 2.032 108 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 108 K C 1.941 178.677 176.600 0.226 0.000 1.048 108 K CA 1.816 58.245 56.287 0.237 0.000 0.927 108 K CB -0.072 32.535 32.500 0.179 0.000 0.712 108 K HN 0.254 nan 8.250 nan 0.000 0.441 109 I N 1.137 121.785 120.570 0.129 0.000 2.233 109 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 109 I C 2.401 178.595 176.117 0.128 0.000 1.093 109 I CA 1.127 62.492 61.300 0.107 0.000 1.380 109 I CB -0.884 37.149 38.000 0.054 0.000 1.067 109 I HN 0.214 nan 8.210 nan 0.000 0.413 110 I N 1.139 121.760 120.570 0.085 0.000 2.179 110 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 110 I C 2.819 178.972 176.117 0.060 0.000 1.088 110 I CA 1.733 63.063 61.300 0.050 0.000 1.357 110 I CB -0.308 37.695 38.000 0.005 0.000 1.051 110 I HN 0.242 nan 8.210 nan 0.000 0.409 111 S N 0.714 116.459 115.700 0.074 0.000 2.365 111 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 111 S C 2.017 176.623 174.600 0.010 0.000 1.039 111 S CA 1.373 59.586 58.200 0.023 0.000 1.033 111 S CB -1.156 62.056 63.200 0.020 0.000 0.887 111 S HN 0.326 nan 8.310 nan 0.000 0.447 112 F N 2.402 122.375 119.950 0.039 0.000 2.206 112 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 112 F C 2.958 178.794 175.800 0.059 0.000 1.090 112 F CA 1.402 59.438 58.000 0.060 0.000 1.323 112 F CB -1.027 38.014 39.000 0.068 0.000 1.028 112 F HN 0.198 nan 8.300 nan 0.000 0.492 113 T N -0.559 114.120 114.554 0.208 0.000 2.737 113 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 113 T C 2.108 176.849 174.700 0.069 0.000 1.038 113 T CA 1.247 63.422 62.100 0.125 0.000 1.144 113 T CB -0.223 68.692 68.868 0.079 0.000 0.866 113 T HN 0.121 nan 8.240 nan 0.000 0.434 114 R N 0.796 121.312 120.500 0.026 0.000 2.070 114 R HA -0.078 4.261 4.340 -0.000 0.000 0.233 114 R C 2.698 178.970 176.300 -0.045 0.000 1.137 114 R CA 1.710 57.793 56.100 -0.027 0.000 0.945 114 R CB -0.347 29.917 30.300 -0.060 0.000 0.845 114 R HN 0.210 nan 8.270 nan 0.000 0.430 115 S N -0.516 115.150 115.700 -0.057 0.000 2.382 115 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 115 S C 1.785 176.378 174.600 -0.013 0.000 1.027 115 S CA 1.741 59.890 58.200 -0.085 0.000 0.991 115 S CB -0.147 62.976 63.200 -0.128 0.000 0.823 115 S HN 0.489 nan 8.310 nan 0.000 0.469 116 T N 1.832 116.457 114.554 0.120 0.000 2.777 116 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 116 T C 1.945 176.825 174.700 0.299 0.000 1.040 116 T CA 1.081 63.363 62.100 0.303 0.000 1.141 116 T CB -0.355 68.752 68.868 0.398 0.000 0.868 116 T HN 0.205 nan 8.240 nan 0.000 0.444 117 V N 1.904 121.914 119.914 0.160 0.000 2.358 117 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 117 V C 2.942 179.058 176.094 0.036 0.000 1.047 117 V CA 1.532 63.890 62.300 0.098 0.000 1.035 117 V CB -1.319 30.508 31.823 0.006 0.000 0.658 117 V HN 0.518 nan 8.190 nan 0.000 0.452 118 A N 0.039 122.830 122.820 -0.048 0.000 1.892 118 A HA -0.207 4.112 4.320 -0.000 0.000 0.218 118 A C 2.412 179.890 177.584 -0.177 0.000 1.188 118 A CA 2.480 54.433 52.037 -0.141 0.000 0.631 118 A CB -0.784 18.084 19.000 -0.220 0.000 0.822 118 A HN 0.349 nan 8.150 nan 0.000 0.447 119 V N -1.776 118.004 119.914 -0.224 0.000 2.270 119 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 119 V C 2.348 178.314 176.094 -0.214 0.000 1.043 119 V CA 1.987 64.076 62.300 -0.352 0.000 1.014 119 V CB -1.104 30.161 31.823 -0.930 0.000 0.645 119 V HN 0.632 nan 8.190 nan 0.000 0.447 120 Y N 1.662 121.902 120.300 -0.099 0.000 2.097 120 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 120 Y C 2.994 178.884 175.900 -0.017 0.000 1.152 120 Y CA 2.203 60.300 58.100 -0.004 0.000 1.136 120 Y CB -0.767 37.701 38.460 0.014 0.000 0.975 120 Y HN 0.409 nan 8.280 nan 0.000 0.498 121 S N -1.760 114.019 115.700 0.132 0.000 2.383 121 S HA -0.174 4.296 4.470 -0.000 0.000 0.227 121 S C 1.960 176.586 174.600 0.044 0.000 1.026 121 S CA 1.582 59.820 58.200 0.064 0.000 0.981 121 S CB -1.047 62.159 63.200 0.010 0.000 0.818 121 S HN 0.405 nan 8.310 nan 0.000 0.472 122 T N 1.489 116.051 114.554 0.012 0.000 2.746 122 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 122 T C 1.988 176.730 174.700 0.071 0.000 1.039 122 T CA 1.498 63.614 62.100 0.025 0.000 1.142 122 T CB -0.794 68.069 68.868 -0.008 0.000 0.866 122 T HN 0.557 nan 8.240 nan 0.000 0.444 123 C N 0.856 120.196 119.300 0.066 0.000 2.457 123 C HA 0.112 4.572 4.460 -0.000 0.000 0.278 123 C C 2.772 177.800 174.990 0.063 0.000 1.309 123 C CA 0.400 59.444 59.018 0.043 0.000 1.735 123 C CB -1.056 26.681 27.740 -0.006 0.000 1.992 123 C HN 0.557 nan 8.230 nan 0.000 0.493 124 M N -0.015 119.648 119.600 0.105 0.000 2.086 124 M HA -0.166 4.313 4.480 -0.000 0.000 0.261 124 M C 2.167 178.549 176.300 0.138 0.000 1.067 124 M CA 1.598 56.989 55.300 0.152 0.000 1.116 124 M CB -0.547 32.161 32.600 0.180 0.000 1.348 124 M HN 0.306 nan 8.290 nan 0.000 0.407 125 L N 0.039 121.319 121.223 0.095 0.000 2.012 125 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 125 L C 2.191 179.111 176.870 0.083 0.000 1.073 125 L CA 1.671 56.556 54.840 0.075 0.000 0.748 125 L CB -0.572 41.514 42.059 0.044 0.000 0.891 125 L HN 0.055 nan 8.230 nan 0.000 0.431 126 V N -0.704 119.257 119.914 0.078 0.000 2.261 126 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 126 V C 2.581 178.741 176.094 0.111 0.000 1.047 126 V CA 1.858 64.202 62.300 0.074 0.000 1.015 126 V CB -0.762 31.092 31.823 0.051 0.000 0.642 126 V HN 0.530 nan 8.190 nan 0.000 0.446 127 V N -1.569 118.420 119.914 0.124 0.000 2.453 127 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 127 V C 2.346 178.659 176.094 0.365 0.000 1.048 127 V CA 1.787 64.204 62.300 0.195 0.000 1.049 127 V CB -0.772 31.045 31.823 -0.011 0.000 0.672 127 V HN 0.425 nan 8.190 nan 0.000 0.457 128 L N 0.122 121.534 121.223 0.315 0.000 2.046 128 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 128 L C 2.308 179.281 176.870 0.171 0.000 1.077 128 L CA 1.925 56.924 54.840 0.266 0.000 0.747 128 L CB -0.665 41.504 42.059 0.184 0.000 0.896 128 L HN 0.296 nan 8.230 nan 0.000 0.432 129 L N -0.989 120.311 121.223 0.128 0.000 2.093 129 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 129 L C 2.759 179.692 176.870 0.106 0.000 1.085 129 L CA 0.726 55.615 54.840 0.082 0.000 0.755 129 L CB -0.563 41.526 42.059 0.050 0.000 0.904 129 L HN 0.210 nan 8.230 nan 0.000 0.435 130 R N -0.308 120.284 120.500 0.155 0.000 2.105 130 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 130 R C 2.182 178.589 176.300 0.177 0.000 1.135 130 R CA 1.180 57.383 56.100 0.170 0.000 0.967 130 R CB -0.832 29.617 30.300 0.250 0.000 0.861 130 R HN 0.258 nan 8.270 nan 0.000 0.442 131 V N 1.411 121.472 119.914 0.246 0.000 2.244 131 V HA -0.260 3.860 4.120 -0.000 0.000 0.244 131 V C 2.486 178.639 176.094 0.098 0.000 1.042 131 V CA 1.734 64.142 62.300 0.179 0.000 1.006 131 V CB -0.551 31.422 31.823 0.249 0.000 0.641 131 V HN 0.340 nan 8.190 nan 0.000 0.446 132 Q N -0.534 119.336 119.800 0.116 0.000 2.077 132 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 132 Q C 2.268 178.388 176.000 0.200 0.000 0.989 132 Q CA 1.822 57.718 55.803 0.155 0.000 0.853 132 Q CB -0.280 28.432 28.738 -0.043 0.000 0.907 132 Q HN 0.522 nan 8.270 nan 0.000 0.418 133 L N 0.479 121.774 121.223 0.120 0.000 2.179 133 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 133 L C 1.895 178.846 176.870 0.135 0.000 1.096 133 L CA 0.548 55.455 54.840 0.112 0.000 0.779 133 L CB -0.151 41.938 42.059 0.051 0.000 0.922 133 L HN 0.263 nan 8.230 nan 0.000 0.443 134 N N -0.198 118.579 118.700 0.130 0.000 2.354 134 N HA -0.025 4.715 4.740 -0.000 0.000 0.179 134 N C 1.871 177.439 175.510 0.097 0.000 1.021 134 N CA 0.994 54.166 53.050 0.203 0.000 0.887 134 N CB 0.236 38.854 38.487 0.217 0.000 0.974 134 N HN 0.339 nan 8.380 nan 0.000 0.437 135 I N 0.616 121.131 120.570 -0.091 0.000 2.133 135 I HA -0.229 3.941 4.170 -0.000 0.000 0.238 135 I C 2.210 178.351 176.117 0.041 0.000 1.074 135 I CA 0.830 61.923 61.300 -0.344 0.000 1.342 135 I CB -0.148 37.524 38.000 -0.547 0.000 1.053 135 I HN -0.019 nan 8.210 nan 0.000 0.404 136 I N 1.360 122.015 120.570 0.141 0.000 2.226 136 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 136 I C 2.396 178.673 176.117 0.267 0.000 1.100 136 I CA 1.630 63.054 61.300 0.207 0.000 1.374 136 I CB -0.921 37.233 38.000 0.257 0.000 1.057 136 I HN 0.164 nan 8.210 nan 0.000 0.413 137 G N -0.273 108.689 108.800 0.271 0.000 2.459 137 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 137 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 137 G C 1.768 176.944 174.900 0.460 0.000 1.183 137 G CA 0.752 46.086 45.100 0.390 0.000 0.776 137 G HN 0.548 nan 8.290 nan 0.000 0.552 138 G N -0.206 108.711 108.800 0.195 0.000 2.469 138 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 138 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 138 G C 1.645 176.538 174.900 -0.010 0.000 1.150 138 G CA 1.110 46.136 45.100 -0.123 0.000 0.763 138 G HN 0.454 nan 8.290 nan 0.000 0.561 139 Y N 0.376 120.748 120.300 0.121 0.000 2.200 139 Y HA 0.045 4.595 4.550 -0.000 0.000 0.290 139 Y C 2.762 178.721 175.900 0.099 0.000 1.137 139 Y CA 0.830 58.985 58.100 0.092 0.000 1.163 139 Y CB -0.239 38.242 38.460 0.035 0.000 0.988 139 Y HN 0.123 nan 8.280 nan 0.000 0.518 140 I N -1.337 119.409 120.570 0.292 0.000 2.208 140 I HA -0.376 3.794 4.170 -0.000 0.000 0.245 140 I C 2.233 178.421 176.117 0.119 0.000 1.097 140 I CA 1.622 63.051 61.300 0.216 0.000 1.363 140 I CB -0.474 37.692 38.000 0.276 0.000 1.051 140 I HN 0.217 nan 8.210 nan 0.000 0.413 141 Y N 1.435 121.753 120.300 0.029 0.000 2.128 141 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 141 Y C 2.287 178.138 175.900 -0.082 0.000 1.154 141 Y CA 1.758 59.768 58.100 -0.151 0.000 1.149 141 Y CB -0.226 38.175 38.460 -0.098 0.000 0.976 141 Y HN 0.020 nan 8.280 nan 0.000 0.505 142 L N -0.333 120.908 121.223 0.030 0.000 2.056 142 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 142 L C 2.140 178.964 176.870 -0.077 0.000 1.078 142 L CA 1.370 56.185 54.840 -0.041 0.000 0.749 142 L CB -0.646 41.429 42.059 0.027 0.000 0.901 142 L HN 0.187 nan 8.230 nan 0.000 0.433 143 D N 0.119 120.514 120.400 -0.009 0.000 2.133 143 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 143 D C 1.944 178.196 176.300 -0.081 0.000 0.997 143 D CA 1.143 55.135 54.000 -0.014 0.000 0.840 143 D CB -0.300 40.518 40.800 0.031 0.000 0.947 143 D HN 0.231 nan 8.370 nan 0.000 0.452 144 N N 0.333 118.943 118.700 -0.151 0.000 2.166 144 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 144 N C 1.590 176.955 175.510 -0.243 0.000 1.019 144 N CA 1.137 54.069 53.050 -0.196 0.000 0.856 144 N CB -0.274 38.062 38.487 -0.251 0.000 0.993 144 N HN 0.128 nan 8.380 nan 0.000 0.426 145 A N 0.064 122.675 122.820 -0.349 0.000 2.119 145 A HA 0.221 4.541 4.320 -0.000 0.000 0.217 145 A C 1.963 179.463 177.584 -0.139 0.000 1.153 145 A CA 1.292 53.161 52.037 -0.280 0.000 0.692 145 A CB -0.246 18.549 19.000 -0.342 0.000 0.799 145 A HN 0.268 nan 8.150 nan 0.000 0.458 146 A N -0.886 121.869 122.820 -0.107 0.000 2.275 146 A HA 0.367 4.687 4.320 -0.000 0.000 0.212 146 A C 1.750 179.307 177.584 -0.045 0.000 1.201 146 A CA 0.665 52.667 52.037 -0.058 0.000 0.843 146 A CB -0.286 18.692 19.000 -0.036 0.000 0.873 146 A HN 0.227 nan 8.150 nan 0.000 0.492 147 V N -0.121 119.760 119.914 -0.055 0.000 2.515 147 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 147 V C 2.757 178.831 176.094 -0.033 0.000 1.058 147 V CA 1.790 64.066 62.300 -0.039 0.000 1.064 147 V CB -1.044 30.754 31.823 -0.041 0.000 0.675 147 V HN 0.585 nan 8.190 nan 0.000 0.461 148 G N 0.426 109.202 108.800 -0.040 0.000 2.586 148 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 148 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 148 G C 1.102 175.989 174.900 -0.023 0.000 1.216 148 G CA 1.289 46.371 45.100 -0.031 0.000 0.786 148 G HN 0.645 nan 8.290 nan 0.000 0.583 149 K N -0.650 119.736 120.400 -0.024 0.000 2.393 149 K HA 0.398 4.718 4.320 -0.000 0.000 0.264 149 K C 0.170 176.762 176.600 -0.014 0.000 0.979 149 K CA 0.842 57.119 56.287 -0.018 0.000 0.893 149 K CB -1.140 31.349 32.500 -0.018 0.000 0.967 149 K HN 1.292 nan 8.250 nan 0.000 0.521 150 N N -1.177 117.517 118.700 -0.011 0.000 2.240 150 N HA 0.642 5.382 4.740 -0.000 0.000 0.302 150 N C 1.185 176.691 175.510 -0.007 0.000 1.106 150 N CA 0.198 53.243 53.050 -0.008 0.000 0.778 150 N CB 1.712 40.194 38.487 -0.007 0.000 1.431 150 N HN 1.968 nan 8.380 nan 0.000 0.479 151 G N -0.153 108.643 108.800 -0.006 0.000 2.143 151 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.248 151 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.248 151 G C 0.366 175.264 174.900 -0.004 0.000 0.991 151 G CA 1.138 46.236 45.100 -0.004 0.000 0.689 151 G HN 1.863 nan 8.290 nan 0.000 0.522 152 T N -1.632 112.919 114.554 -0.005 0.000 2.829 152 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 152 T C -0.114 174.585 174.700 -0.003 0.000 0.990 152 T CA 0.135 62.233 62.100 -0.004 0.000 1.028 152 T CB 2.739 71.603 68.868 -0.007 0.000 0.951 152 T HN 0.415 nan 8.240 nan 0.000 0.460 153 T N 2.023 116.577 114.554 0.000 0.000 2.940 153 T HA 0.614 4.964 4.350 -0.000 0.000 0.288 153 T C 0.064 174.767 174.700 0.005 0.000 1.033 153 T CA -1.133 60.968 62.100 0.001 0.000 1.033 153 T CB 0.416 69.284 68.868 0.000 0.000 1.079 153 T HN 0.770 nan 8.240 nan 0.000 0.496 154 I N 3.132 123.706 120.570 0.005 0.000 2.441 154 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 154 I C 0.738 176.862 176.117 0.010 0.000 1.049 154 I CA -0.592 60.715 61.300 0.012 0.000 1.381 154 I CB 0.805 38.813 38.000 0.013 0.000 1.409 154 I HN 0.473 nan 8.210 nan 0.000 0.523 155 L N 6.153 127.389 121.223 0.021 0.000 2.044 155 L HA 0.172 4.512 4.340 -0.000 0.000 0.205 155 L C 1.614 178.463 176.870 -0.035 0.000 1.075 155 L CA 1.850 56.688 54.840 -0.004 0.000 0.747 155 L CB -0.548 41.528 42.059 0.029 0.000 0.903 155 L HN 0.909 nan 8.230 nan 0.000 0.435 156 A N 0.536 123.355 122.820 -0.002 0.000 3.047 156 A HA 0.493 4.813 4.320 -0.000 0.000 0.337 156 A C -2.397 175.202 177.584 0.025 0.000 1.143 156 A CA -1.221 50.812 52.037 -0.006 0.000 0.905 156 A CB -0.694 18.315 19.000 0.015 0.000 1.088 156 A HN 0.096 nan 8.150 nan 0.000 0.488 157 P HA 0.204 nan 4.420 nan 0.000 0.274 157 P C -2.202 175.116 177.300 0.030 0.000 1.256 157 P CA -1.198 61.916 63.100 0.023 0.000 0.795 157 P CB 0.558 32.266 31.700 0.013 0.000 1.038 158 P HA -0.222 nan 4.420 nan 0.000 0.217 158 P C 1.131 178.451 177.300 0.033 0.000 1.151 158 P CA 1.885 65.007 63.100 0.036 0.000 0.849 158 P CB -0.262 31.456 31.700 0.030 0.000 0.787 159 D N -1.191 119.224 120.400 0.025 0.000 2.183 159 D HA -0.088 4.552 4.640 -0.000 0.000 0.203 159 D C 1.751 178.068 176.300 0.027 0.000 0.969 159 D CA 0.926 54.939 54.000 0.022 0.000 0.842 159 D CB -1.210 39.599 40.800 0.015 0.000 0.957 159 D HN 0.047 nan 8.370 nan 0.000 0.484 160 V N 0.815 120.743 119.914 0.024 0.000 2.307 160 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 160 V C 2.752 178.888 176.094 0.070 0.000 1.045 160 V CA 1.819 64.134 62.300 0.024 0.000 1.024 160 V CB -0.817 30.997 31.823 -0.015 0.000 0.651 160 V HN 0.156 nan 8.190 nan 0.000 0.449 161 Q N -0.196 119.649 119.800 0.075 0.000 2.045 161 Q HA -0.342 3.998 4.340 -0.000 0.000 0.206 161 Q C 2.394 178.469 176.000 0.125 0.000 0.991 161 Q CA 2.409 58.288 55.803 0.127 0.000 0.851 161 Q CB -0.304 28.495 28.738 0.102 0.000 0.911 161 Q HN 0.708 nan 8.270 nan 0.000 0.418 162 Q N 0.551 120.394 119.800 0.073 0.000 2.079 162 Q HA -0.244 4.095 4.340 -0.000 0.000 0.200 162 Q C 2.151 178.172 176.000 0.035 0.000 0.974 162 Q CA 1.492 57.321 55.803 0.044 0.000 0.840 162 Q CB 0.010 28.767 28.738 0.030 0.000 0.898 162 Q HN 0.416 nan 8.270 nan 0.000 0.430 163 Q N -0.759 119.071 119.800 0.051 0.000 2.079 163 Q HA -0.216 4.123 4.340 -0.000 0.000 0.200 163 Q C 1.932 177.973 176.000 0.067 0.000 0.974 163 Q CA 1.365 57.195 55.803 0.044 0.000 0.840 163 Q CB -0.291 28.472 28.738 0.042 0.000 0.898 163 Q HN 0.504 nan 8.270 nan 0.000 0.430 164 Y N 1.341 121.628 120.300 -0.022 0.000 2.030 164 Y HA -0.283 4.267 4.550 -0.000 0.000 0.274 164 Y C 1.786 177.678 175.900 -0.013 0.000 1.153 164 Y CA 2.037 60.121 58.100 -0.027 0.000 1.115 164 Y CB -0.641 37.796 38.460 -0.039 0.000 0.969 164 Y HN 0.139 nan 8.280 nan 0.000 0.488 165 L N 0.374 121.442 121.223 -0.258 0.000 2.261 165 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 165 L C 2.557 179.309 176.870 -0.197 0.000 1.114 165 L CA 1.504 56.161 54.840 -0.304 0.000 0.777 165 L CB -0.926 41.066 42.059 -0.111 0.000 0.910 165 L HN 0.430 nan 8.230 nan 0.000 0.440 166 S N -0.893 114.737 115.700 -0.118 0.000 2.515 166 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 166 S C 2.104 176.658 174.600 -0.076 0.000 0.987 166 S CA 0.737 58.895 58.200 -0.071 0.000 0.936 166 S CB -0.412 62.769 63.200 -0.032 0.000 0.766 166 S HN 0.551 nan 8.310 nan 0.000 0.528 167 S N 1.742 117.364 115.700 -0.130 0.000 2.440 167 S HA -0.097 4.373 4.470 -0.000 0.000 0.238 167 S C 1.559 176.126 174.600 -0.056 0.000 1.010 167 S CA 0.897 59.037 58.200 -0.099 0.000 0.972 167 S CB -0.893 62.222 63.200 -0.142 0.000 0.774 167 S HN 0.471 nan 8.310 nan 0.000 0.501 168 I N 2.911 123.432 120.570 -0.082 0.000 2.502 168 I HA -0.177 3.993 4.170 -0.000 0.000 0.258 168 I C 3.030 179.147 176.117 -0.001 0.000 1.172 168 I CA 1.727 63.004 61.300 -0.037 0.000 1.430 168 I CB -1.041 36.928 38.000 -0.052 0.000 1.086 168 I HN 0.527 nan 8.210 nan 0.000 0.440 169 Q N -0.813 118.987 119.800 0.001 0.000 2.297 169 Q HA -0.317 4.023 4.340 -0.000 0.000 0.208 169 Q C 2.091 178.114 176.000 0.039 0.000 0.981 169 Q CA 2.103 57.912 55.803 0.011 0.000 0.876 169 Q CB -1.577 27.166 28.738 0.008 0.000 0.921 169 Q HN 0.818 nan 8.270 nan 0.000 0.446 170 H N -0.288 118.761 119.070 -0.034 0.000 2.326 170 H HA -0.022 4.534 4.556 -0.000 0.000 0.301 170 H C 1.965 177.284 175.328 -0.016 0.000 1.081 170 H CA 1.707 57.736 56.048 -0.031 0.000 1.334 170 H CB -0.174 29.561 29.762 -0.045 0.000 1.385 170 H HN 0.424 nan 8.280 nan 0.000 0.504 171 L N 0.278 121.472 121.223 -0.048 0.000 2.042 171 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 171 L C 1.884 178.702 176.870 -0.085 0.000 1.076 171 L CA 1.677 56.475 54.840 -0.070 0.000 0.749 171 L CB -0.625 41.449 42.059 0.025 0.000 0.893 171 L HN 0.430 nan 8.230 nan 0.000 0.432 172 L N -1.392 119.796 121.223 -0.058 0.000 2.478 172 L HA 0.139 4.479 4.340 -0.000 0.000 0.223 172 L C 1.673 178.503 176.870 -0.066 0.000 1.140 172 L CA 0.390 55.199 54.840 -0.051 0.000 0.842 172 L CB -0.800 41.240 42.059 -0.032 0.000 0.953 172 L HN 0.436 nan 8.230 nan 0.000 0.452 173 G N -0.974 107.768 108.800 -0.096 0.000 3.110 173 G HA2 0.000 3.960 3.960 -0.000 0.000 0.207 173 G HA3 0.000 3.960 3.960 -0.000 0.000 0.207 173 G C 0.243 175.065 174.900 -0.129 0.000 1.841 173 G CA -0.005 45.045 45.100 -0.083 0.000 0.751 173 G HN -0.038 nan 8.290 nan 0.000 0.771 174 D N 0.426 120.739 120.400 -0.146 0.000 2.219 174 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 174 D C 2.460 178.613 176.300 -0.246 0.000 0.970 174 D CA 1.244 55.171 54.000 -0.122 0.000 0.851 174 D CB -0.394 40.414 40.800 0.013 0.000 0.943 174 D HN 0.306 nan 8.370 nan 0.000 0.488 175 G N 0.602 109.004 108.800 -0.664 0.000 2.402 175 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 175 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 175 G C 1.570 176.393 174.900 -0.129 0.000 1.162 175 G CA 0.475 45.254 45.100 -0.535 0.000 0.777 175 G HN 0.248 nan 8.290 nan 0.000 0.539 176 L N 0.970 122.101 121.223 -0.152 0.000 1.989 176 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 176 L C 2.945 179.780 176.870 -0.057 0.000 1.071 176 L CA 2.658 57.447 54.840 -0.084 0.000 0.749 176 L CB -1.013 40.998 42.059 -0.079 0.000 0.890 176 L HN 0.187 nan 8.230 nan 0.000 0.431 177 T N -0.845 113.678 114.554 -0.051 0.000 2.720 177 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 177 T C 1.773 176.482 174.700 0.014 0.000 1.037 177 T CA 1.780 63.867 62.100 -0.021 0.000 1.144 177 T CB -0.219 68.638 68.868 -0.020 0.000 0.864 177 T HN 0.519 nan 8.240 nan 0.000 0.444 178 E N 0.026 120.257 120.200 0.051 0.000 2.208 178 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 178 E C 2.074 178.779 176.600 0.176 0.000 0.988 178 E CA 0.385 56.872 56.400 0.145 0.000 0.828 178 E CB -0.105 29.722 29.700 0.210 0.000 0.763 178 E HN 0.252 nan 8.360 nan 0.000 0.478 179 L N 0.993 122.246 121.223 0.050 0.000 2.027 179 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 179 L C 2.019 178.785 176.870 -0.173 0.000 1.074 179 L CA 1.472 56.137 54.840 -0.292 0.000 0.745 179 L CB -0.386 41.400 42.059 -0.456 0.000 0.898 179 L HN 0.227 nan 8.230 nan 0.000 0.433 180 I N -0.939 119.579 120.570 -0.087 0.000 2.151 180 I HA -0.391 3.779 4.170 -0.000 0.000 0.243 180 I C 2.243 178.345 176.117 -0.025 0.000 1.080 180 I CA 1.953 63.223 61.300 -0.050 0.000 1.339 180 I CB -0.722 37.259 38.000 -0.031 0.000 1.039 180 I HN 0.285 nan 8.210 nan 0.000 0.409 181 T N 0.217 114.771 114.554 0.000 0.000 2.720 181 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 181 T C 1.939 176.650 174.700 0.017 0.000 1.037 181 T CA 1.461 63.572 62.100 0.020 0.000 1.144 181 T CB -0.240 68.655 68.868 0.045 0.000 0.864 181 T HN 0.121 nan 8.240 nan 0.000 0.444 182 V N 0.950 120.874 119.914 0.016 0.000 2.379 182 V HA -0.033 4.087 4.120 -0.000 0.000 0.245 182 V C 2.338 178.411 176.094 -0.036 0.000 1.044 182 V CA 1.223 63.529 62.300 0.010 0.000 1.036 182 V CB -0.457 31.396 31.823 0.051 0.000 0.664 182 V HN 0.475 nan 8.190 nan 0.000 0.453 183 I N 0.027 120.549 120.570 -0.080 0.000 2.315 183 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 183 I C 2.524 178.642 176.117 0.002 0.000 1.117 183 I CA 1.578 62.846 61.300 -0.053 0.000 1.404 183 I CB -0.325 37.634 38.000 -0.067 0.000 1.071 183 I HN 0.272 nan 8.210 nan 0.000 0.419 184 K N 0.629 121.031 120.400 0.003 0.000 2.097 184 K HA -0.254 4.066 4.320 -0.000 0.000 0.206 184 K C 2.363 178.971 176.600 0.014 0.000 1.049 184 K CA 1.635 57.933 56.287 0.018 0.000 0.933 184 K CB -0.158 32.350 32.500 0.014 0.000 0.717 184 K HN 0.078 nan 8.250 nan 0.000 0.442 185 Q N -0.410 119.395 119.800 0.008 0.000 2.124 185 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 185 Q C 2.032 178.033 176.000 0.002 0.000 0.977 185 Q CA 1.426 57.233 55.803 0.006 0.000 0.850 185 Q CB -0.416 28.327 28.738 0.008 0.000 0.901 185 Q HN 0.613 nan 8.270 nan 0.000 0.429 186 A N -0.491 122.330 122.820 0.003 0.000 1.872 186 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 186 A C 2.337 179.922 177.584 0.000 0.000 1.187 186 A CA 1.536 53.574 52.037 0.002 0.000 0.614 186 A CB -0.712 18.291 19.000 0.005 0.000 0.826 186 A HN 0.448 nan 8.150 nan 0.000 0.442 187 V N -0.140 119.784 119.914 0.016 0.000 2.332 187 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 187 V C 2.703 178.778 176.094 -0.031 0.000 1.055 187 V CA 2.413 64.716 62.300 0.004 0.000 1.038 187 V CB -0.921 30.939 31.823 0.061 0.000 0.651 187 V HN 0.674 nan 8.190 nan 0.000 0.450 188 Q N 0.061 119.853 119.800 -0.013 0.000 2.045 188 Q HA -0.281 4.059 4.340 -0.000 0.000 0.206 188 Q C 2.272 178.253 176.000 -0.032 0.000 0.991 188 Q CA 2.271 58.062 55.803 -0.020 0.000 0.851 188 Q CB -0.237 28.497 28.738 -0.007 0.000 0.911 188 Q HN 0.499 nan 8.270 nan 0.000 0.418 189 K N -1.105 119.279 120.400 -0.027 0.000 2.063 189 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 189 K C 1.755 178.326 176.600 -0.049 0.000 1.048 189 K CA 1.432 57.700 56.287 -0.031 0.000 0.928 189 K CB -0.187 32.300 32.500 -0.022 0.000 0.713 189 K HN 0.098 nan 8.250 nan 0.000 0.442 190 V N -0.105 119.774 119.914 -0.059 0.000 2.446 190 V HA -0.046 4.073 4.120 -0.000 0.000 0.244 190 V C 1.774 177.794 176.094 -0.123 0.000 1.039 190 V CA 1.280 63.532 62.300 -0.080 0.000 1.045 190 V CB -0.111 31.670 31.823 -0.071 0.000 0.681 190 V HN 0.248 nan 8.190 nan 0.000 0.459 191 L N -0.475 120.659 121.223 -0.148 0.000 2.664 191 L HA 0.299 4.639 4.340 -0.000 0.000 0.233 191 L C 2.372 179.163 176.870 -0.132 0.000 1.113 191 L CA 0.734 55.455 54.840 -0.198 0.000 0.896 191 L CB -0.436 41.418 42.059 -0.342 0.000 1.163 191 L HN 0.401 nan 8.230 nan 0.000 0.497 192 G N 0.807 109.554 108.800 -0.088 0.000 2.446 192 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.217 192 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.217 192 G C 1.441 176.310 174.900 -0.051 0.000 1.168 192 G CA 1.178 46.246 45.100 -0.054 0.000 0.771 192 G HN 0.464 nan 8.290 nan 0.000 0.551 193 S N -0.453 115.209 115.700 -0.063 0.000 2.679 193 S HA 0.468 4.938 4.470 -0.000 0.000 0.233 193 S C 0.010 174.558 174.600 -0.087 0.000 0.951 193 S CA -0.542 57.622 58.200 -0.060 0.000 0.973 193 S CB 0.492 63.660 63.200 -0.052 0.000 0.778 193 S HN 0.007 nan 8.310 nan 0.000 0.477 194 V N 2.523 122.372 119.914 -0.110 0.000 2.370 194 V HA 0.464 4.584 4.120 -0.000 0.000 0.279 194 V C 0.620 176.667 176.094 -0.078 0.000 1.029 194 V CA -0.644 61.562 62.300 -0.157 0.000 0.870 194 V CB 1.250 32.932 31.823 -0.234 0.000 0.984 194 V HN 0.570 nan 8.190 nan 0.000 0.451 195 S N 4.506 120.180 115.700 -0.043 0.000 2.573 195 S HA 0.210 4.680 4.470 -0.000 0.000 0.277 195 S C 1.144 175.759 174.600 0.025 0.000 1.346 195 S CA -0.334 57.868 58.200 0.004 0.000 1.034 195 S CB 0.469 63.683 63.200 0.024 0.000 0.879 195 S HN 0.590 nan 8.310 nan 0.000 0.528 196 L N 3.124 124.349 121.223 0.003 0.000 2.353 196 L HA -0.044 4.296 4.340 -0.000 0.000 0.220 196 L C 2.362 179.216 176.870 -0.026 0.000 1.133 196 L CA 1.156 55.985 54.840 -0.019 0.000 0.798 196 L CB -0.301 41.706 42.059 -0.086 0.000 0.922 196 L HN 0.720 nan 8.230 nan 0.000 0.445 197 K N -1.549 118.850 120.400 -0.002 0.000 2.314 197 K HA -0.035 4.285 4.320 -0.000 0.000 0.198 197 K C 0.495 177.117 176.600 0.037 0.000 1.045 197 K CA -0.099 56.184 56.287 -0.006 0.000 0.988 197 K CB 0.075 32.568 32.500 -0.012 0.000 0.783 197 K HN 0.157 nan 8.250 nan 0.000 0.484 198 H N 0.557 119.615 119.070 -0.019 0.000 3.034 198 H HA 0.027 4.583 4.556 -0.000 0.000 0.324 198 H C -0.639 174.697 175.328 0.015 0.000 1.015 198 H CA 0.330 56.376 56.048 -0.003 0.000 1.429 198 H CB 0.515 30.274 29.762 -0.004 0.000 1.429 198 H HN -0.116 nan 8.280 nan 0.000 0.585 199 S N 4.779 120.295 115.700 -0.307 0.000 2.554 199 S HA 0.446 4.916 4.470 -0.000 0.000 0.278 199 S C -0.673 173.874 174.600 -0.087 0.000 1.242 199 S CA -0.751 57.367 58.200 -0.138 0.000 1.051 199 S CB 0.521 63.645 63.200 -0.126 0.000 0.986 199 S HN 0.483 nan 8.310 nan 0.000 0.502 200 L N 2.441 123.731 121.223 0.111 0.000 2.408 200 L HA 0.475 4.815 4.340 -0.000 0.000 0.268 200 L C 0.433 177.470 176.870 0.277 0.000 0.986 200 L CA -0.713 54.236 54.840 0.182 0.000 0.820 200 L CB 2.208 44.419 42.059 0.253 0.000 1.303 200 L HN 0.716 nan 8.230 nan 0.000 0.411 201 S N 1.384 117.194 115.700 0.183 0.000 2.617 201 S HA 0.170 4.640 4.470 -0.000 0.000 0.259 201 S C 0.979 175.556 174.600 -0.038 0.000 1.301 201 S CA -0.557 57.753 58.200 0.183 0.000 0.984 201 S CB 0.908 64.153 63.200 0.075 0.000 0.954 201 S HN 0.606 nan 8.310 nan 0.000 0.572 202 L N 0.521 121.487 121.223 -0.428 0.000 2.051 202 L HA -0.086 4.253 4.340 -0.000 0.000 0.214 202 L C 2.130 178.808 176.870 -0.320 0.000 1.076 202 L CA 1.783 56.131 54.840 -0.820 0.000 0.758 202 L CB -0.757 40.911 42.059 -0.651 0.000 0.890 202 L HN 0.816 nan 8.230 nan 0.000 0.433 203 L N -1.316 119.815 121.223 -0.152 0.000 2.313 203 L HA -0.087 4.253 4.340 -0.000 0.000 0.214 203 L C 1.994 178.847 176.870 -0.029 0.000 1.119 203 L CA 0.526 55.322 54.840 -0.073 0.000 0.809 203 L CB -0.672 41.362 42.059 -0.043 0.000 0.933 203 L HN 0.268 nan 8.230 nan 0.000 0.449 204 D N 0.264 120.662 120.400 -0.004 0.000 2.149 204 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 204 D C 2.082 178.417 176.300 0.059 0.000 0.972 204 D CA 0.945 54.970 54.000 0.042 0.000 0.835 204 D CB 0.121 40.969 40.800 0.081 0.000 0.966 204 D HN 0.162 nan 8.370 nan 0.000 0.476 205 L N 1.505 122.760 121.223 0.054 0.000 2.027 205 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 205 L C 2.173 179.091 176.870 0.081 0.000 1.074 205 L CA 1.822 56.729 54.840 0.112 0.000 0.745 205 L CB -0.614 41.506 42.059 0.102 0.000 0.898 205 L HN -0.053 nan 8.230 nan 0.000 0.433 206 E N -0.992 119.215 120.200 0.011 0.000 2.114 206 E HA -0.353 3.997 4.350 -0.000 0.000 0.199 206 E C 2.187 178.791 176.600 0.006 0.000 1.008 206 E CA 1.680 58.086 56.400 0.010 0.000 0.810 206 E CB -0.124 29.565 29.700 -0.018 0.000 0.739 206 E HN 0.558 nan 8.360 nan 0.000 0.456 207 Q N 0.388 120.192 119.800 0.007 0.000 2.119 207 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 207 Q C 1.909 177.910 176.000 0.002 0.000 0.972 207 Q CA 1.335 57.137 55.803 -0.001 0.000 0.847 207 Q CB 0.093 28.835 28.738 0.006 0.000 0.903 207 Q HN 0.088 nan 8.270 nan 0.000 0.433 208 K N 0.032 120.449 120.400 0.028 0.000 2.057 208 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 208 K C 2.060 178.676 176.600 0.027 0.000 1.049 208 K CA 1.011 57.311 56.287 0.021 0.000 0.931 208 K CB -0.556 31.964 32.500 0.033 0.000 0.714 208 K HN 0.301 nan 8.250 nan 0.000 0.440 209 L N 0.903 122.161 121.223 0.059 0.000 2.127 209 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 209 L C 2.394 179.182 176.870 -0.136 0.000 1.089 209 L CA 1.335 56.181 54.840 0.009 0.000 0.757 209 L CB -0.350 41.736 42.059 0.046 0.000 0.899 209 L HN 0.167 nan 8.230 nan 0.000 0.434 210 K N 0.011 120.344 120.400 -0.112 0.000 2.103 210 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 210 K C 2.004 178.555 176.600 -0.081 0.000 1.052 210 K CA 1.154 57.363 56.287 -0.129 0.000 0.945 210 K CB 0.001 32.449 32.500 -0.087 0.000 0.722 210 K HN 0.318 nan 8.250 nan 0.000 0.443 211 E N 0.778 120.949 120.200 -0.049 0.000 2.106 211 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 211 E C 1.898 178.483 176.600 -0.026 0.000 0.984 211 E CA 0.889 57.270 56.400 -0.033 0.000 0.806 211 E CB -0.021 29.662 29.700 -0.028 0.000 0.750 211 E HN 0.234 nan 8.360 nan 0.000 0.458 212 I N 0.736 121.294 120.570 -0.020 0.000 2.179 212 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 212 I C 2.405 178.531 176.117 0.016 0.000 1.088 212 I CA 1.211 62.516 61.300 0.009 0.000 1.357 212 I CB -0.229 37.805 38.000 0.056 0.000 1.051 212 I HN 0.020 nan 8.210 nan 0.000 0.409 213 R N 0.616 121.097 120.500 -0.032 0.000 2.105 213 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 213 R C 2.057 178.375 176.300 0.031 0.000 1.135 213 R CA 1.474 57.581 56.100 0.012 0.000 0.967 213 R CB -0.473 29.724 30.300 -0.170 0.000 0.861 213 R HN 0.419 nan 8.270 nan 0.000 0.442 214 N N 0.695 119.392 118.700 -0.005 0.000 2.244 214 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 214 N C 1.773 177.292 175.510 0.014 0.000 1.016 214 N CA 0.932 53.985 53.050 0.006 0.000 0.866 214 N CB -0.065 38.417 38.487 -0.007 0.000 0.980 214 N HN 0.230 nan 8.380 nan 0.000 0.430 215 L N 0.074 121.303 121.223 0.009 0.000 2.141 215 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 215 L C 1.951 178.828 176.870 0.011 0.000 1.094 215 L CA 0.647 55.491 54.840 0.008 0.000 0.763 215 L CB -0.163 41.897 42.059 0.001 0.000 0.908 215 L HN -0.014 nan 8.230 nan 0.000 0.437 216 V N -0.620 119.300 119.914 0.009 0.000 2.500 216 V HA -0.127 3.993 4.120 -0.000 0.000 0.243 216 V C 1.206 177.314 176.094 0.024 0.000 1.039 216 V CA 1.053 63.337 62.300 -0.026 0.000 1.053 216 V CB -0.225 31.514 31.823 -0.141 0.000 0.695 216 V HN 0.383 nan 8.190 nan 0.000 0.463 217 E N 1.083 121.322 120.200 0.065 0.000 2.422 217 E HA 0.493 4.842 4.350 -0.000 0.000 0.267 217 E C 0.360 177.001 176.600 0.068 0.000 1.466 217 E CA 0.352 56.810 56.400 0.096 0.000 1.767 217 E CB -0.128 29.650 29.700 0.131 0.000 1.471 217 E HN 0.624 nan 8.360 nan 0.000 0.446 232 P HA 0.561 nan 4.420 nan 0.000 0.298 232 P C -0.553 176.758 177.300 0.017 0.000 1.341 232 P CA -0.866 62.176 63.100 -0.097 0.000 1.032 232 P CB 1.161 32.645 31.700 -0.360 0.000 1.386 233 L N 1.060 122.294 121.223 0.018 0.000 2.492 233 L HA 0.005 4.345 4.340 -0.000 0.000 0.280 233 L C 1.753 178.727 176.870 0.174 0.000 1.240 233 L CA -0.034 54.865 54.840 0.099 0.000 0.831 233 L CB 0.261 42.371 42.059 0.085 0.000 1.100 233 L HN 0.436 nan 8.230 nan 0.000 0.505 234 L N 1.819 123.201 121.223 0.264 0.000 2.201 234 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 234 L C 2.563 179.649 176.870 0.360 0.000 1.105 234 L CA 0.688 55.773 54.840 0.410 0.000 0.775 234 L CB -0.453 41.823 42.059 0.362 0.000 0.913 234 L HN 0.871 nan 8.230 nan 0.000 0.440 235 C N -0.350 119.098 119.300 0.246 0.000 2.403 235 C HA -0.254 4.206 4.460 -0.000 0.000 0.282 235 C C 2.749 177.799 174.990 0.100 0.000 1.297 235 C CA 1.300 60.414 59.018 0.161 0.000 1.785 235 C CB -0.952 26.841 27.740 0.089 0.000 1.963 235 C HN 0.670 nan 8.230 nan 0.000 0.507 236 H N -1.429 117.590 119.070 -0.086 0.000 2.491 236 H HA -0.050 4.506 4.556 -0.000 0.000 0.290 236 H C 1.478 176.673 175.328 -0.221 0.000 1.050 236 H CA 2.029 57.940 56.048 -0.228 0.000 1.309 236 H CB -0.381 29.140 29.762 -0.401 0.000 1.392 236 H HN 0.689 nan 8.280 nan 0.000 0.554 237 Y N -1.264 119.057 120.300 0.035 0.000 2.500 237 Y HA 0.123 4.673 4.550 -0.000 0.000 0.270 237 Y C 2.038 177.965 175.900 0.046 0.000 1.134 237 Y CA 0.290 58.375 58.100 -0.025 0.000 1.293 237 Y CB 0.082 38.541 38.460 -0.001 0.000 1.063 237 Y HN 0.236 nan 8.280 nan 0.000 0.534 238 M N -1.028 118.712 119.600 0.234 0.000 2.486 238 M HA 0.137 4.617 4.480 -0.000 0.000 0.264 238 M C 0.273 176.714 176.300 0.235 0.000 1.125 238 M CA 0.775 56.204 55.300 0.215 0.000 1.144 238 M CB 0.660 33.366 32.600 0.176 0.000 1.353 238 M HN 0.133 nan 8.290 nan 0.000 0.466 239 M N 0.651 120.324 119.600 0.123 0.000 2.324 239 M HA 0.447 4.927 4.480 -0.000 0.000 0.288 239 M C -2.639 173.421 176.300 -0.400 0.000 1.097 239 M CA -1.948 53.280 55.300 -0.119 0.000 0.928 239 M CB 2.512 35.065 32.600 -0.077 0.000 1.648 239 M HN -0.296 nan 8.290 nan 0.000 0.460 240 P HA 0.128 nan 4.420 nan 0.000 0.272 240 P C -1.280 175.888 177.300 -0.219 0.000 1.223 240 P CA -0.062 62.695 63.100 -0.572 0.000 0.784 240 P CB 0.391 31.773 31.700 -0.529 0.000 0.923 241 D N 1.194 121.541 120.400 -0.088 0.000 2.400 241 D HA -0.053 4.587 4.640 -0.000 0.000 0.238 241 D C 1.452 177.728 176.300 -0.039 0.000 1.157 241 D CA 0.210 54.199 54.000 -0.017 0.000 0.889 241 D CB 0.449 41.270 40.800 0.036 0.000 1.199 241 D HN 0.515 nan 8.370 nan 0.000 0.436 242 E N 0.689 120.875 120.200 -0.024 0.000 2.204 242 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 242 E C 0.285 176.874 176.600 -0.018 0.000 0.990 242 E CA 0.937 57.323 56.400 -0.023 0.000 0.821 242 E CB -0.158 29.535 29.700 -0.013 0.000 0.750 242 E HN 0.335 nan 8.360 nan 0.000 0.477 243 E N 1.077 121.270 120.200 -0.013 0.000 2.352 243 E HA 0.098 4.448 4.350 -0.000 0.000 0.197 243 E C -0.767 175.827 176.600 -0.011 0.000 1.224 243 E CA 0.299 56.694 56.400 -0.009 0.000 1.118 243 E CB 0.339 30.036 29.700 -0.005 0.000 1.198 243 E HN 0.020 nan 8.360 nan 0.000 0.454 244 T N 1.101 115.644 114.554 -0.019 0.000 2.887 244 T HA 0.392 4.741 4.350 -0.000 0.000 0.288 244 T C -2.556 172.131 174.700 -0.021 0.000 1.021 244 T CA -2.368 59.719 62.100 -0.023 0.000 1.000 244 T CB 1.179 70.020 68.868 -0.045 0.000 1.034 244 T HN -0.160 nan 8.240 nan 0.000 0.467 245 P HA 0.154 nan 4.420 nan 0.000 0.264 245 P C 0.988 178.277 177.300 -0.018 0.000 1.193 245 P CA 0.041 63.133 63.100 -0.013 0.000 0.763 245 P CB 0.386 32.081 31.700 -0.007 0.000 0.810 246 L N 2.560 123.774 121.223 -0.015 0.000 2.089 246 L HA -0.310 4.030 4.340 -0.000 0.000 0.213 246 L C 2.325 179.187 176.870 -0.015 0.000 1.079 246 L CA 2.059 56.890 54.840 -0.016 0.000 0.758 246 L CB -0.871 41.182 42.059 -0.009 0.000 0.891 246 L HN 0.447 nan 8.230 nan 0.000 0.433 247 A N -0.146 122.669 122.820 -0.010 0.000 1.978 247 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 247 A C 2.150 179.730 177.584 -0.007 0.000 1.170 247 A CA 1.858 53.892 52.037 -0.006 0.000 0.636 247 A CB -0.843 18.156 19.000 -0.003 0.000 0.810 247 A HN 0.399 nan 8.150 nan 0.000 0.448 248 V N -3.087 116.819 119.914 -0.013 0.000 3.573 248 V HA -0.009 4.111 4.120 -0.000 0.000 0.270 248 V C 1.452 177.527 176.094 -0.032 0.000 1.221 248 V CA 1.526 63.820 62.300 -0.011 0.000 1.163 248 V CB -0.575 31.244 31.823 -0.006 0.000 0.847 248 V HN 0.614 nan 8.190 nan 0.000 0.468 249 Q N 0.894 120.669 119.800 -0.043 0.000 2.391 249 Q HA 0.619 4.959 4.340 -0.000 0.000 0.211 249 Q C 0.831 176.810 176.000 -0.035 0.000 0.908 249 Q CA 0.829 56.593 55.803 -0.064 0.000 0.920 249 Q CB 0.882 29.582 28.738 -0.063 0.000 1.056 249 Q HN 0.788 nan 8.270 nan 0.000 0.523 250 A N -0.064 122.747 122.820 -0.016 0.000 2.606 250 A HA 0.373 4.693 4.320 -0.000 0.000 0.293 250 A C -1.294 176.288 177.584 -0.003 0.000 1.082 250 A CA -0.795 51.236 52.037 -0.009 0.000 0.685 250 A CB 1.019 20.022 19.000 0.005 0.000 1.284 250 A HN 0.236 nan 8.150 nan 0.000 0.408 251 C N 1.520 120.819 119.300 -0.003 0.000 2.648 251 C HA 0.478 4.938 4.460 -0.000 0.000 0.406 251 C C 1.664 176.656 174.990 0.003 0.000 1.406 251 C CA 1.521 60.539 59.018 0.000 0.000 1.610 251 C CB -1.626 26.114 27.740 -0.001 0.000 2.451 251 C HN 2.644 nan 8.230 nan 0.000 0.608 252 G N 5.224 114.026 108.800 0.002 0.000 2.225 252 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.267 252 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.267 252 G C -0.181 174.720 174.900 0.003 0.000 1.024 252 G CA 0.409 45.511 45.100 0.003 0.000 0.784 252 G HN 1.168 nan 8.290 nan 0.000 0.507 253 L N 1.806 123.030 121.223 0.002 0.000 2.410 253 L HA 0.659 4.999 4.340 -0.000 0.000 0.273 253 L C 0.674 177.544 176.870 -0.000 0.000 1.144 253 L CA 0.438 55.280 54.840 0.003 0.000 0.863 253 L CB 1.078 43.139 42.059 0.002 0.000 1.140 253 L HN 0.768 nan 8.230 nan 0.000 0.463 254 S N 4.074 119.774 115.700 -0.000 0.000 2.667 254 S HA 0.683 5.152 4.470 -0.000 0.000 0.292 254 S C -2.274 172.324 174.600 -0.003 0.000 1.126 254 S CA -1.174 57.025 58.200 -0.002 0.000 0.881 254 S CB 1.667 64.867 63.200 -0.001 0.000 1.132 254 S HN 0.442 nan 8.310 nan 0.000 0.492 255 P HA 0.010 nan 4.420 nan 0.000 0.221 255 P C 1.002 178.299 177.300 -0.005 0.000 1.145 255 P CA 0.947 64.044 63.100 -0.004 0.000 0.795 255 P CB -0.009 31.689 31.700 -0.004 0.000 0.775 256 R N -0.606 119.891 120.500 -0.005 0.000 2.235 256 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 256 R C 0.284 176.580 176.300 -0.008 0.000 1.059 256 R CA 0.677 56.774 56.100 -0.005 0.000 0.997 256 R CB -0.466 29.831 30.300 -0.004 0.000 0.884 256 R HN 0.230 nan 8.270 nan 0.000 0.462 257 D N 1.398 121.794 120.400 -0.007 0.000 2.934 257 D HA 0.015 4.655 4.640 -0.000 0.000 0.237 257 D C 1.269 177.558 176.300 -0.018 0.000 1.158 257 D CA 0.106 54.100 54.000 -0.010 0.000 0.971 257 D CB 0.221 41.020 40.800 -0.003 0.000 1.123 257 D HN 0.043 nan 8.370 nan 0.000 0.467 258 I N 0.561 121.118 120.570 -0.021 0.000 2.113 258 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 258 I C 2.240 178.329 176.117 -0.047 0.000 1.064 258 I CA 1.410 62.694 61.300 -0.027 0.000 1.320 258 I CB -1.220 36.766 38.000 -0.023 0.000 1.028 258 I HN 0.126 nan 8.210 nan 0.000 0.406 259 T N 0.379 114.895 114.554 -0.064 0.000 2.746 259 T HA -0.147 4.202 4.350 -0.000 0.000 0.267 259 T C 1.872 176.489 174.700 -0.137 0.000 1.039 259 T CA 2.039 64.070 62.100 -0.115 0.000 1.142 259 T CB -0.432 68.361 68.868 -0.125 0.000 0.866 259 T HN 0.376 nan 8.240 nan 0.000 0.444 260 T N 2.220 116.727 114.554 -0.078 0.000 2.720 260 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 260 T C 1.979 176.665 174.700 -0.023 0.000 1.037 260 T CA 0.994 63.072 62.100 -0.037 0.000 1.144 260 T CB -0.457 68.424 68.868 0.023 0.000 0.864 260 T HN 0.332 nan 8.240 nan 0.000 0.444 261 I N 0.794 121.350 120.570 -0.022 0.000 2.226 261 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 261 I C 2.670 178.775 176.117 -0.021 0.000 1.100 261 I CA 1.286 62.580 61.300 -0.010 0.000 1.374 261 I CB -0.325 37.669 38.000 -0.010 0.000 1.057 261 I HN 0.170 nan 8.210 nan 0.000 0.413 262 K N 1.310 121.680 120.400 -0.050 0.000 2.026 262 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 262 K C 2.199 178.755 176.600 -0.073 0.000 1.048 262 K CA 1.520 57.776 56.287 -0.051 0.000 0.929 262 K CB -0.136 32.320 32.500 -0.074 0.000 0.713 262 K HN 0.252 nan 8.250 nan 0.000 0.439 263 L N 1.001 122.106 121.223 -0.196 0.000 2.042 263 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 263 L C 2.446 179.267 176.870 -0.082 0.000 1.076 263 L CA 1.120 55.766 54.840 -0.323 0.000 0.749 263 L CB -0.428 41.136 42.059 -0.826 0.000 0.893 263 L HN 0.191 nan 8.230 nan 0.000 0.432 264 L N -0.404 120.847 121.223 0.047 0.000 2.083 264 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 264 L C 2.421 179.332 176.870 0.068 0.000 1.083 264 L CA 0.877 55.792 54.840 0.126 0.000 0.752 264 L CB -0.682 41.436 42.059 0.098 0.000 0.899 264 L HN 0.366 nan 8.230 nan 0.000 0.433 265 N N 0.378 119.103 118.700 0.042 0.000 2.069 265 N HA -0.207 4.533 4.740 -0.000 0.000 0.191 265 N C 1.747 177.302 175.510 0.076 0.000 1.031 265 N CA 1.498 54.575 53.050 0.046 0.000 0.852 265 N CB -0.224 38.286 38.487 0.038 0.000 1.018 265 N HN 0.447 nan 8.380 nan 0.000 0.423 266 E N -0.275 119.991 120.200 0.110 0.000 2.150 266 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 266 E C 1.693 178.387 176.600 0.158 0.000 0.985 266 E CA 1.071 57.593 56.400 0.204 0.000 0.814 266 E CB -0.061 29.871 29.700 0.386 0.000 0.752 266 E HN 0.332 nan 8.360 nan 0.000 0.466 267 T N 0.760 115.367 114.554 0.088 0.000 2.708 267 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 267 T C 1.822 176.533 174.700 0.017 0.000 1.037 267 T CA 1.104 63.241 62.100 0.061 0.000 1.146 267 T CB -0.142 68.807 68.868 0.136 0.000 0.865 267 T HN 0.105 nan 8.240 nan 0.000 0.435 268 R N 0.791 121.305 120.500 0.024 0.000 2.105 268 R HA -0.140 4.199 4.340 -0.000 0.000 0.239 268 R C 1.945 178.250 176.300 0.009 0.000 1.135 268 R CA 1.635 57.732 56.100 -0.004 0.000 0.967 268 R CB -0.230 30.074 30.300 0.006 0.000 0.861 268 R HN 0.322 nan 8.270 nan 0.000 0.442 269 D N 0.013 120.446 120.400 0.054 0.000 2.104 269 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 269 D C 1.908 178.257 176.300 0.082 0.000 0.994 269 D CA 1.189 55.234 54.000 0.076 0.000 0.830 269 D CB -0.093 40.775 40.800 0.114 0.000 0.959 269 D HN 0.193 nan 8.370 nan 0.000 0.452 270 M N 0.247 119.903 119.600 0.094 0.000 2.086 270 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 270 M C 2.406 178.680 176.300 -0.043 0.000 1.067 270 M CA 0.901 56.272 55.300 0.117 0.000 1.116 270 M CB -0.892 31.794 32.600 0.144 0.000 1.348 270 M HN 0.063 nan 8.290 nan 0.000 0.407 271 L N -0.768 120.281 121.223 -0.291 0.000 2.265 271 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 271 L C 1.630 178.367 176.870 -0.221 0.000 1.117 271 L CA 1.088 55.512 54.840 -0.693 0.000 0.782 271 L CB -0.594 41.152 42.059 -0.522 0.000 0.914 271 L HN 0.392 nan 8.230 nan 0.000 0.441 272 E N -0.465 119.714 120.200 -0.035 0.000 2.474 272 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 272 E C 0.835 177.501 176.600 0.110 0.000 1.039 272 E CA -0.113 56.320 56.400 0.056 0.000 0.881 272 E CB 0.446 30.170 29.700 0.040 0.000 0.970 272 E HN 0.381 nan 8.360 nan 0.000 0.486 273 S N 0.973 116.761 115.700 0.146 0.000 2.592 273 S HA 0.145 4.615 4.470 -0.000 0.000 0.271 273 S C -1.632 173.085 174.600 0.196 0.000 1.326 273 S CA -1.285 57.017 58.200 0.171 0.000 1.024 273 S CB 1.153 64.479 63.200 0.210 0.000 0.921 273 S HN -0.174 nan 8.310 nan 0.000 0.527 274 P HA -0.016 nan 4.420 nan 0.000 0.219 274 P C 0.536 177.906 177.300 0.117 0.000 1.150 274 P CA 0.936 64.109 63.100 0.121 0.000 0.814 274 P CB -0.073 31.679 31.700 0.087 0.000 0.787 275 D N -0.844 119.651 120.400 0.158 0.000 2.144 275 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 275 D C 1.663 177.965 176.300 0.004 0.000 0.984 275 D CA 0.823 54.910 54.000 0.145 0.000 0.834 275 D CB -0.921 40.056 40.800 0.295 0.000 0.955 275 D HN 0.150 nan 8.370 nan 0.000 0.465 276 F N 0.838 120.766 119.950 -0.036 0.000 2.186 276 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 276 F C 2.460 178.154 175.800 -0.176 0.000 1.090 276 F CA 1.045 58.902 58.000 -0.239 0.000 1.307 276 F CB -0.155 38.865 39.000 0.033 0.000 1.019 276 F HN -0.187 nan 8.300 nan 0.000 0.489 277 S N -0.577 115.149 115.700 0.043 0.000 2.383 277 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 277 S C 2.011 176.527 174.600 -0.141 0.000 1.030 277 S CA 1.958 60.150 58.200 -0.013 0.000 1.002 277 S CB -0.562 62.688 63.200 0.084 0.000 0.829 277 S HN 0.546 nan 8.310 nan 0.000 0.467 278 T N 1.362 115.834 114.554 -0.137 0.000 2.701 278 T HA -0.052 4.298 4.350 -0.000 0.000 0.263 278 T C 1.854 176.420 174.700 -0.225 0.000 1.040 278 T CA 1.487 63.506 62.100 -0.134 0.000 1.147 278 T CB -0.481 68.341 68.868 -0.076 0.000 0.865 278 T HN 0.233 nan 8.240 nan 0.000 0.426 279 V N 1.618 121.297 119.914 -0.391 0.000 2.295 279 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 279 V C 2.433 178.281 176.094 -0.411 0.000 1.049 279 V CA 1.423 63.455 62.300 -0.447 0.000 1.024 279 V CB -0.698 30.670 31.823 -0.757 0.000 0.648 279 V HN 0.320 nan 8.190 nan 0.000 0.447 280 L N 1.022 121.903 121.223 -0.570 0.000 2.042 280 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 280 L C 2.283 179.035 176.870 -0.196 0.000 1.076 280 L CA 2.285 56.878 54.840 -0.413 0.000 0.749 280 L CB -1.107 40.634 42.059 -0.529 0.000 0.893 280 L HN 0.458 nan 8.230 nan 0.000 0.432 281 N N -1.414 117.191 118.700 -0.159 0.000 2.120 281 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 281 N C 1.516 176.984 175.510 -0.071 0.000 1.024 281 N CA 1.966 54.973 53.050 -0.072 0.000 0.852 281 N CB 0.004 38.465 38.487 -0.044 0.000 1.003 281 N HN 0.452 nan 8.380 nan 0.000 0.424 282 T N 0.362 114.856 114.554 -0.100 0.000 2.746 282 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 282 T C 2.180 176.825 174.700 -0.092 0.000 1.039 282 T CA 1.073 63.122 62.100 -0.086 0.000 1.142 282 T CB -0.508 68.306 68.868 -0.090 0.000 0.866 282 T HN 0.380 nan 8.240 nan 0.000 0.444 283 C N 0.844 120.074 119.300 -0.117 0.000 2.429 283 C HA 0.059 4.518 4.460 -0.000 0.000 0.277 283 C C 2.715 177.641 174.990 -0.108 0.000 1.262 283 C CA 0.405 59.352 59.018 -0.118 0.000 1.733 283 C CB -1.347 26.321 27.740 -0.119 0.000 2.010 283 C HN 0.522 nan 8.230 nan 0.000 0.483 284 L N 0.903 122.082 121.223 -0.073 0.000 2.093 284 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 284 L C 2.339 179.250 176.870 0.069 0.000 1.085 284 L CA 1.268 56.090 54.840 -0.030 0.000 0.755 284 L CB -0.703 41.355 42.059 -0.001 0.000 0.904 284 L HN 0.412 nan 8.230 nan 0.000 0.435 285 N N 0.167 118.883 118.700 0.027 0.000 2.120 285 N HA -0.210 4.529 4.740 -0.000 0.000 0.188 285 N C 1.913 177.427 175.510 0.007 0.000 1.024 285 N CA 1.126 54.200 53.050 0.039 0.000 0.852 285 N CB -0.321 38.164 38.487 -0.004 0.000 1.003 285 N HN 0.191 nan 8.380 nan 0.000 0.424 286 R N 0.802 121.261 120.500 -0.067 0.000 2.073 286 R HA -0.020 4.320 4.340 -0.000 0.000 0.234 286 R C 2.160 178.332 176.300 -0.212 0.000 1.134 286 R CA 1.817 57.837 56.100 -0.134 0.000 0.952 286 R CB -1.077 29.120 30.300 -0.171 0.000 0.850 286 R HN 0.227 nan 8.270 nan 0.000 0.433 287 G N -0.674 107.971 108.800 -0.258 0.000 2.446 287 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 287 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 287 G C 1.200 175.986 174.900 -0.191 0.000 1.168 287 G CA 0.879 45.763 45.100 -0.360 0.000 0.771 287 G HN 0.343 nan 8.290 nan 0.000 0.551 288 F N 1.236 121.156 119.950 -0.050 0.000 2.186 288 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 288 F C 3.089 178.879 175.800 -0.016 0.000 1.090 288 F CA 1.211 59.197 58.000 -0.022 0.000 1.307 288 F CB -0.425 38.537 39.000 -0.064 0.000 1.019 288 F HN 0.092 nan 8.300 nan 0.000 0.489 289 S N -0.209 115.558 115.700 0.111 0.000 2.353 289 S HA -0.273 4.197 4.470 -0.000 0.000 0.222 289 S C 2.184 176.793 174.600 0.015 0.000 1.035 289 S CA 1.735 59.958 58.200 0.038 0.000 1.025 289 S CB -0.250 62.943 63.200 -0.012 0.000 0.902 289 S HN 0.263 nan 8.310 nan 0.000 0.440 290 R N 1.120 121.597 120.500 -0.039 0.000 2.092 290 R HA 0.020 4.360 4.340 -0.000 0.000 0.231 290 R C 2.105 178.467 176.300 0.103 0.000 1.119 290 R CA 1.334 57.417 56.100 -0.028 0.000 0.970 290 R CB -0.986 29.184 30.300 -0.217 0.000 0.864 290 R HN 0.402 nan 8.270 nan 0.000 0.440 291 L N 0.107 121.427 121.223 0.160 0.000 2.012 291 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 291 L C 2.037 178.976 176.870 0.115 0.000 1.073 291 L CA 1.756 56.690 54.840 0.157 0.000 0.748 291 L CB -0.781 41.340 42.059 0.104 0.000 0.891 291 L HN 0.363 nan 8.230 nan 0.000 0.431 292 L N -0.191 121.092 121.223 0.101 0.000 1.989 292 L HA -0.266 4.074 4.340 -0.000 0.000 0.211 292 L C 2.140 179.038 176.870 0.046 0.000 1.071 292 L CA 2.099 56.975 54.840 0.060 0.000 0.749 292 L CB -0.897 41.186 42.059 0.039 0.000 0.890 292 L HN 0.356 nan 8.230 nan 0.000 0.431 293 D N -0.496 119.930 120.400 0.042 0.000 2.158 293 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 293 D C 1.847 178.186 176.300 0.064 0.000 0.995 293 D CA 1.257 55.278 54.000 0.036 0.000 0.846 293 D CB -0.396 40.416 40.800 0.020 0.000 0.941 293 D HN 0.384 nan 8.370 nan 0.000 0.456 294 N N -0.330 118.430 118.700 0.100 0.000 2.381 294 N HA -0.035 4.705 4.740 -0.000 0.000 0.182 294 N C 1.660 177.295 175.510 0.207 0.000 1.025 294 N CA 0.477 53.606 53.050 0.132 0.000 0.888 294 N CB -0.111 38.467 38.487 0.152 0.000 0.965 294 N HN 0.316 nan 8.380 nan 0.000 0.438 295 M N -0.349 119.386 119.600 0.225 0.000 2.510 295 M HA 0.184 4.664 4.480 -0.000 0.000 0.256 295 M C 1.946 178.489 176.300 0.404 0.000 1.132 295 M CA 0.067 55.604 55.300 0.394 0.000 1.105 295 M CB 0.179 32.963 32.600 0.308 0.000 1.375 295 M HN 0.064 nan 8.290 nan 0.000 0.477 296 A N 1.627 124.556 122.820 0.182 0.000 1.892 296 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 296 A C 1.971 179.644 177.584 0.149 0.000 1.188 296 A CA 2.253 54.366 52.037 0.127 0.000 0.631 296 A CB -0.907 18.114 19.000 0.035 0.000 0.822 296 A HN 0.687 nan 8.150 nan 0.000 0.447 297 E N -1.293 118.896 120.200 -0.020 0.000 2.209 297 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 297 E C 1.383 177.865 176.600 -0.196 0.000 0.993 297 E CA 1.371 57.662 56.400 -0.182 0.000 0.819 297 E CB -0.451 29.031 29.700 -0.363 0.000 0.745 297 E HN 0.597 nan 8.360 nan 0.000 0.477 298 F N -0.367 119.673 119.950 0.150 0.000 2.710 298 F HA 0.158 4.685 4.527 -0.000 0.000 0.298 298 F C 0.973 176.753 175.800 -0.034 0.000 1.137 298 F CA 0.291 58.327 58.000 0.059 0.000 1.444 298 F CB 0.048 39.071 39.000 0.039 0.000 1.111 298 F HN -0.041 nan 8.300 nan 0.000 0.580 299 F N -0.452 119.590 119.950 0.153 0.000 2.645 299 F HA 0.259 4.786 4.527 -0.000 0.000 0.300 299 F C 1.047 176.877 175.800 0.051 0.000 1.115 299 F CA -0.262 57.798 58.000 0.099 0.000 1.355 299 F CB -0.250 38.803 39.000 0.089 0.000 1.026 299 F HN -0.332 nan 8.300 nan 0.000 0.536 300 R N 0.147 120.735 120.500 0.148 0.000 2.981 300 R HA 0.641 4.981 4.340 -0.000 0.000 0.228 300 R C -2.275 174.046 176.300 0.036 0.000 1.421 300 R CA -1.722 54.422 56.100 0.073 0.000 1.073 300 R CB -0.243 30.077 30.300 0.034 0.000 1.568 300 R HN -0.142 nan 8.270 nan 0.000 0.514 315 L N 2.224 123.452 121.223 0.007 0.000 2.640 315 L HA 0.353 4.693 4.340 -0.000 0.000 0.230 315 L C 0.422 177.302 176.870 0.016 0.000 1.123 315 L CA 0.201 55.046 54.840 0.009 0.000 0.900 315 L CB 1.159 43.221 42.059 0.005 0.000 1.146 315 L HN 0.191 nan 8.230 nan 0.000 0.484 316 S N -0.111 115.601 115.700 0.020 0.000 2.601 316 S HA 0.453 4.923 4.470 -0.000 0.000 0.271 316 S C 0.333 174.961 174.600 0.046 0.000 1.305 316 S CA -0.672 57.545 58.200 0.028 0.000 1.022 316 S CB 1.392 64.606 63.200 0.024 0.000 0.940 316 S HN 0.316 nan 8.310 nan 0.000 0.525 317 S N 0.478 116.212 115.700 0.057 0.000 2.578 317 S HA 0.786 5.256 4.470 -0.000 0.000 0.301 317 S C -0.328 174.334 174.600 0.104 0.000 1.091 317 S CA -0.831 57.427 58.200 0.097 0.000 1.032 317 S CB 1.147 64.402 63.200 0.092 0.000 1.064 317 S HN 0.831 nan 8.310 nan 0.000 0.508 318 V N -0.386 119.619 119.914 0.152 0.000 2.960 318 V HA 0.785 4.905 4.120 -0.000 0.000 0.315 318 V C -0.263 175.949 176.094 0.197 0.000 1.087 318 V CA -0.808 61.565 62.300 0.121 0.000 0.982 318 V CB 1.558 33.418 31.823 0.062 0.000 1.039 318 V HN 0.899 nan 8.190 nan 0.000 0.437 319 S N 4.014 119.791 115.700 0.128 0.000 2.465 319 S HA 0.634 5.104 4.470 -0.000 0.000 0.279 319 S C -0.237 174.404 174.600 0.070 0.000 1.201 319 S CA -0.381 57.904 58.200 0.142 0.000 1.053 319 S CB 0.206 63.447 63.200 0.068 0.000 0.953 319 S HN 0.621 nan 8.310 nan 0.000 0.488 320 L N 5.286 126.548 121.223 0.066 0.000 2.343 320 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 320 L C -2.046 174.824 176.870 0.001 0.000 1.056 320 L CA -2.529 52.279 54.840 -0.053 0.000 0.804 320 L CB 0.957 42.865 42.059 -0.252 0.000 1.203 320 L HN 0.331 nan 8.230 nan 0.000 0.440 321 P HA -0.018 nan 4.420 nan 0.000 0.271 321 P C 0.531 177.848 177.300 0.029 0.000 1.218 321 P CA -0.450 62.645 63.100 -0.008 0.000 0.780 321 P CB 1.065 32.737 31.700 -0.047 0.000 0.901 322 L N 3.771 125.040 121.223 0.077 0.000 2.043 322 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 322 L C 2.447 179.385 176.870 0.114 0.000 1.075 322 L CA 2.524 57.442 54.840 0.131 0.000 0.752 322 L CB -1.796 40.337 42.059 0.122 0.000 0.891 322 L HN 0.500 nan 8.230 nan 0.000 0.432 323 A N -1.189 121.628 122.820 -0.005 0.000 1.986 323 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 323 A C 2.292 179.858 177.584 -0.030 0.000 1.171 323 A CA 1.801 53.768 52.037 -0.117 0.000 0.640 323 A CB -0.495 18.225 19.000 -0.467 0.000 0.811 323 A HN 0.465 nan 8.150 nan 0.000 0.451 324 K N -0.786 119.592 120.400 -0.036 0.000 2.296 324 K HA 0.131 4.451 4.320 -0.000 0.000 0.200 324 K C 1.642 178.233 176.600 -0.014 0.000 1.048 324 K CA 0.733 57.000 56.287 -0.034 0.000 0.966 324 K CB -0.152 32.297 32.500 -0.085 0.000 0.754 324 K HN 0.600 nan 8.250 nan 0.000 0.466 325 I N 0.770 121.374 120.570 0.056 0.000 2.406 325 I HA -0.193 3.977 4.170 -0.000 0.000 0.249 325 I C 2.128 178.323 176.117 0.130 0.000 1.122 325 I CA 0.595 61.962 61.300 0.111 0.000 1.431 325 I CB -0.168 38.007 38.000 0.292 0.000 1.087 325 I HN 0.017 nan 8.210 nan 0.000 0.424 326 I N 1.694 122.405 120.570 0.235 0.000 2.087 326 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 326 I C -0.286 175.874 176.117 0.071 0.000 1.054 326 I CA 1.917 63.355 61.300 0.230 0.000 1.311 326 I CB -1.937 36.308 38.000 0.408 0.000 1.024 326 I HN 0.183 nan 8.210 nan 0.000 0.402 327 P HA -0.160 nan 4.420 nan 0.000 0.218 327 P C 1.828 179.047 177.300 -0.134 0.000 1.148 327 P CA 1.758 64.845 63.100 -0.021 0.000 0.822 327 P CB -0.132 31.572 31.700 0.007 0.000 0.784 328 I N -1.060 119.404 120.570 -0.176 0.000 2.353 328 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 328 I C 2.469 178.470 176.117 -0.194 0.000 1.119 328 I CA 1.012 62.133 61.300 -0.299 0.000 1.417 328 I CB -0.567 37.286 38.000 -0.245 0.000 1.078 328 I HN -0.203 nan 8.210 nan 0.000 0.421 329 V N 0.826 120.628 119.914 -0.187 0.000 2.453 329 V HA -0.239 3.880 4.120 -0.000 0.000 0.247 329 V C 2.262 178.227 176.094 -0.214 0.000 1.048 329 V CA 1.748 63.880 62.300 -0.279 0.000 1.049 329 V CB -0.838 30.587 31.823 -0.664 0.000 0.672 329 V HN 0.513 nan 8.190 nan 0.000 0.457 330 N N 0.894 119.495 118.700 -0.165 0.000 2.149 330 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 330 N C 1.778 177.239 175.510 -0.080 0.000 1.019 330 N CA 1.676 54.658 53.050 -0.113 0.000 0.857 330 N CB -0.115 38.326 38.487 -0.078 0.000 0.997 330 N HN 0.522 nan 8.380 nan 0.000 0.426 331 G N -0.114 108.650 108.800 -0.060 0.000 2.813 331 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.209 331 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.209 331 G C 1.384 176.321 174.900 0.061 0.000 1.150 331 G CA -0.051 45.082 45.100 0.056 0.000 0.785 331 G HN 0.289 nan 8.290 nan 0.000 0.535 332 Q N 0.050 119.817 119.800 -0.055 0.000 2.297 332 Q HA 0.060 4.400 4.340 -0.000 0.000 0.204 332 Q C 2.299 178.200 176.000 -0.164 0.000 0.962 332 Q CA 0.243 56.001 55.803 -0.075 0.000 0.879 332 Q CB -0.120 28.566 28.738 -0.088 0.000 0.947 332 Q HN 0.652 nan 8.270 nan 0.000 0.462 333 I N 0.749 121.174 120.570 -0.242 0.000 2.264 333 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 333 I C 1.901 177.817 176.117 -0.336 0.000 1.111 333 I CA 1.308 62.405 61.300 -0.338 0.000 1.382 333 I CB -0.018 37.755 38.000 -0.379 0.000 1.060 333 I HN 0.249 nan 8.210 nan 0.000 0.418 334 H N 0.037 119.039 119.070 -0.113 0.000 2.457 334 H HA -0.091 4.464 4.556 -0.000 0.000 0.297 334 H C 2.384 177.656 175.328 -0.092 0.000 1.092 334 H CA 1.597 57.593 56.048 -0.088 0.000 1.309 334 H CB -0.203 29.525 29.762 -0.058 0.000 1.382 334 H HN 0.436 nan 8.280 nan 0.000 0.535 335 S N 0.091 115.781 115.700 -0.016 0.000 2.427 335 S HA -0.016 4.454 4.470 -0.000 0.000 0.224 335 S C 2.549 177.017 174.600 -0.219 0.000 1.047 335 S CA 0.485 58.656 58.200 -0.048 0.000 0.953 335 S CB -0.169 63.037 63.200 0.010 0.000 0.824 335 S HN 0.082 nan 8.310 nan 0.000 0.502 336 V N 1.547 121.188 119.914 -0.456 0.000 2.261 336 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 336 V C 1.425 177.143 176.094 -0.627 0.000 1.047 336 V CA 1.143 62.833 62.300 -1.017 0.000 1.015 336 V CB -0.764 30.477 31.823 -0.969 0.000 0.642 336 V HN 0.533 nan 8.190 nan 0.000 0.446 337 C N 1.082 120.170 119.300 -0.352 0.000 2.365 337 C HA 0.435 4.895 4.460 -0.000 0.000 0.386 337 C C 1.102 176.024 174.990 -0.113 0.000 1.357 337 C CA -0.619 58.275 59.018 -0.206 0.000 1.747 337 C CB -1.627 26.005 27.740 -0.181 0.000 2.487 337 C HN 0.396 nan 8.230 nan 0.000 0.585 338 S N 1.046 116.697 115.700 -0.083 0.000 2.420 338 S HA 0.172 4.642 4.470 -0.000 0.000 0.313 338 S C 1.269 175.867 174.600 -0.004 0.000 1.079 338 S CA -0.479 57.706 58.200 -0.026 0.000 1.104 338 S CB 0.384 63.582 63.200 -0.004 0.000 0.969 338 S HN 0.756 nan 8.310 nan 0.000 0.471 339 E N 2.663 122.860 120.200 -0.005 0.000 2.204 339 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 339 E C 0.451 177.054 176.600 0.006 0.000 0.990 339 E CA 0.961 57.361 56.400 -0.000 0.000 0.821 339 E CB -0.567 29.131 29.700 -0.004 0.000 0.750 339 E HN 0.502 nan 8.360 nan 0.000 0.477 340 T N 4.667 119.226 114.554 0.008 0.000 4.729 340 T HA 0.049 4.399 4.350 -0.000 0.000 0.219 340 T C -2.264 172.446 174.700 0.016 0.000 0.849 340 T CA -0.830 61.276 62.100 0.010 0.000 0.968 340 T CB -0.480 68.394 68.868 0.011 0.000 1.436 340 T HN 0.192 nan 8.240 nan 0.000 1.056 341 P HA -0.074 nan 4.420 nan 0.000 0.231 341 P C 0.538 177.861 177.300 0.038 0.000 1.048 341 P CA 0.396 63.512 63.100 0.028 0.000 0.925 341 P CB -0.550 31.162 31.700 0.020 0.000 0.852 342 S N 2.169 117.901 115.700 0.053 0.000 2.560 342 S HA 0.099 4.569 4.470 -0.000 0.000 0.276 342 S C 1.771 176.423 174.600 0.087 0.000 1.350 342 S CA 0.651 58.895 58.200 0.072 0.000 1.024 342 S CB -0.504 62.751 63.200 0.092 0.000 0.864 342 S HN 0.690 nan 8.310 nan 0.000 0.536 343 H N 0.345 119.461 119.070 0.075 0.000 2.492 343 H HA -0.072 4.484 4.556 -0.000 0.000 0.296 343 H C 1.772 177.141 175.328 0.068 0.000 1.095 343 H CA 2.272 58.352 56.048 0.053 0.000 1.281 343 H CB -0.647 29.135 29.762 0.034 0.000 1.374 343 H HN 0.778 nan 8.280 nan 0.000 0.545 344 F N 0.811 120.745 119.950 -0.027 0.000 2.060 344 F HA -0.139 4.388 4.527 -0.000 0.000 0.295 344 F C 2.589 178.362 175.800 -0.046 0.000 1.120 344 F CA 2.007 59.982 58.000 -0.042 0.000 1.205 344 F CB -0.241 38.729 39.000 -0.051 0.000 0.986 344 F HN 0.227 nan 8.300 nan 0.000 0.470 345 V N 0.224 120.346 119.914 0.345 0.000 2.358 345 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 345 V C 2.779 178.909 176.094 0.061 0.000 1.047 345 V CA 2.245 64.671 62.300 0.210 0.000 1.035 345 V CB -1.796 30.117 31.823 0.151 0.000 0.658 345 V HN 0.562 nan 8.190 nan 0.000 0.452 346 Q N -0.201 119.622 119.800 0.039 0.000 2.170 346 Q HA -0.300 4.040 4.340 -0.000 0.000 0.203 346 Q C 1.950 177.932 176.000 -0.029 0.000 0.976 346 Q CA 1.955 57.760 55.803 0.003 0.000 0.858 346 Q CB -0.894 27.847 28.738 0.005 0.000 0.907 346 Q HN 0.697 nan 8.270 nan 0.000 0.433 347 D N 0.576 120.941 120.400 -0.059 0.000 2.137 347 D HA -0.160 4.480 4.640 -0.000 0.000 0.189 347 D C 1.885 178.115 176.300 -0.118 0.000 0.998 347 D CA 1.760 55.691 54.000 -0.115 0.000 0.839 347 D CB -0.292 40.376 40.800 -0.219 0.000 0.962 347 D HN 0.543 nan 8.370 nan 0.000 0.446 348 L N 0.046 121.185 121.223 -0.139 0.000 2.012 348 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 348 L C 2.737 179.582 176.870 -0.043 0.000 1.073 348 L CA 0.793 55.573 54.840 -0.099 0.000 0.748 348 L CB -0.546 41.468 42.059 -0.075 0.000 0.891 348 L HN 0.109 nan 8.230 nan 0.000 0.431 349 L N -0.415 120.794 121.223 -0.023 0.000 2.450 349 L HA -0.117 4.223 4.340 -0.000 0.000 0.224 349 L C 2.143 179.004 176.870 -0.015 0.000 1.149 349 L CA 1.358 56.191 54.840 -0.011 0.000 0.816 349 L CB -0.822 41.232 42.059 -0.008 0.000 0.932 349 L HN 0.470 nan 8.230 nan 0.000 0.449 350 T N -5.185 109.356 114.554 -0.023 0.000 3.044 350 T HA 0.267 4.617 4.350 -0.000 0.000 0.260 350 T C 0.657 175.348 174.700 -0.015 0.000 1.019 350 T CA -0.332 61.757 62.100 -0.018 0.000 0.921 350 T CB 0.014 68.869 68.868 -0.022 0.000 1.053 350 T HN -0.014 nan 8.240 nan 0.000 0.533 351 M N 2.278 121.865 119.600 -0.021 0.000 2.269 351 M HA 0.281 4.761 4.480 -0.000 0.000 0.350 351 M C 1.941 178.246 176.300 0.009 0.000 1.429 351 M CA 0.458 55.747 55.300 -0.018 0.000 1.063 351 M CB 0.583 33.163 32.600 -0.034 0.000 1.841 351 M HN 0.511 nan 8.290 nan 0.000 0.455 352 E N 2.660 122.866 120.200 0.011 0.000 2.110 352 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 352 E C 2.042 178.671 176.600 0.049 0.000 0.988 352 E CA 1.935 58.354 56.400 0.031 0.000 0.804 352 E CB -1.020 28.694 29.700 0.023 0.000 0.745 352 E HN 0.879 nan 8.360 nan 0.000 0.458 353 Q N 0.106 119.925 119.800 0.033 0.000 2.061 353 Q HA -0.047 4.293 4.340 -0.000 0.000 0.204 353 Q C 2.735 178.791 176.000 0.093 0.000 0.984 353 Q CA 1.911 57.740 55.803 0.044 0.000 0.846 353 Q CB -1.152 27.587 28.738 0.002 0.000 0.902 353 Q HN 0.597 nan 8.270 nan 0.000 0.421 354 V N 1.055 121.015 119.914 0.076 0.000 2.343 354 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 354 V C 2.584 178.804 176.094 0.211 0.000 1.051 354 V CA 2.307 64.690 62.300 0.139 0.000 1.036 354 V CB -0.675 31.194 31.823 0.076 0.000 0.654 354 V HN 0.707 nan 8.190 nan 0.000 0.451 355 K N -0.416 120.072 120.400 0.147 0.000 2.057 355 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 355 K C 1.833 178.556 176.600 0.205 0.000 1.050 355 K CA 1.870 58.258 56.287 0.169 0.000 0.935 355 K CB -0.763 31.808 32.500 0.118 0.000 0.715 355 K HN 0.681 nan 8.250 nan 0.000 0.439 356 D N -0.414 120.083 120.400 0.162 0.000 2.117 356 D HA -0.052 4.588 4.640 -0.000 0.000 0.197 356 D C 1.633 178.033 176.300 0.168 0.000 0.987 356 D CA 1.393 55.472 54.000 0.132 0.000 0.829 356 D CB -0.439 40.424 40.800 0.105 0.000 0.961 356 D HN 0.426 nan 8.370 nan 0.000 0.460 357 F N 1.840 121.839 119.950 0.081 0.000 2.102 357 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 357 F C 2.180 178.070 175.800 0.151 0.000 1.105 357 F CA 1.631 59.692 58.000 0.101 0.000 1.239 357 F CB -0.495 38.558 39.000 0.088 0.000 0.991 357 F HN -0.053 nan 8.300 nan 0.000 0.474 358 A N 0.632 123.482 122.820 0.050 0.000 1.917 358 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 358 A C 2.436 180.115 177.584 0.157 0.000 1.182 358 A CA 2.233 54.308 52.037 0.063 0.000 0.633 358 A CB -1.668 17.476 19.000 0.240 0.000 0.819 358 A HN 0.578 nan 8.150 nan 0.000 0.448 359 A N -0.162 122.709 122.820 0.086 0.000 1.930 359 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 359 A C 1.902 179.384 177.584 -0.170 0.000 1.175 359 A CA 1.660 53.504 52.037 -0.321 0.000 0.627 359 A CB -0.540 18.170 19.000 -0.484 0.000 0.815 359 A HN 0.553 nan 8.150 nan 0.000 0.443 360 N N 0.224 118.864 118.700 -0.099 0.000 2.142 360 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 360 N C 1.697 177.175 175.510 -0.053 0.000 1.023 360 N CA 1.488 54.496 53.050 -0.070 0.000 0.852 360 N CB -0.588 37.886 38.487 -0.021 0.000 0.998 360 N HN 0.245 nan 8.380 nan 0.000 0.424 361 V N 0.674 120.513 119.914 -0.126 0.000 2.287 361 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 361 V C 2.034 178.239 176.094 0.185 0.000 1.053 361 V CA 1.485 63.783 62.300 -0.005 0.000 1.027 361 V CB -0.668 31.034 31.823 -0.201 0.000 0.646 361 V HN 0.282 nan 8.190 nan 0.000 0.447 362 Y N 0.664 120.987 120.300 0.037 0.000 2.200 362 Y HA -0.202 4.348 4.550 -0.000 0.000 0.290 362 Y C 2.665 178.559 175.900 -0.010 0.000 1.137 362 Y CA 2.169 60.316 58.100 0.078 0.000 1.163 362 Y CB -0.064 38.499 38.460 0.171 0.000 0.988 362 Y HN 0.315 nan 8.280 nan 0.000 0.518 363 E N -0.054 120.151 120.200 0.007 0.000 2.051 363 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 363 E C 2.323 178.824 176.600 -0.165 0.000 0.991 363 E CA 1.067 57.403 56.400 -0.106 0.000 0.799 363 E CB -0.294 29.352 29.700 -0.091 0.000 0.748 363 E HN 0.555 nan 8.360 nan 0.000 0.449 364 A N 0.357 123.106 122.820 -0.118 0.000 1.892 364 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 364 A C 1.799 179.138 177.584 -0.408 0.000 1.188 364 A CA 1.477 53.374 52.037 -0.234 0.000 0.631 364 A CB -0.834 18.036 19.000 -0.217 0.000 0.822 364 A HN 0.348 nan 8.150 nan 0.000 0.447 365 F N 0.119 119.903 119.950 -0.277 0.000 2.797 365 F HA 0.061 4.588 4.527 -0.000 0.000 0.302 365 F C 2.088 177.594 175.800 -0.490 0.000 1.130 365 F CA 0.857 58.624 58.000 -0.387 0.000 1.387 365 F CB 0.346 39.150 39.000 -0.326 0.000 1.107 365 F HN 0.302 nan 8.300 nan 0.000 0.577 366 S N -1.950 113.531 115.700 -0.365 0.000 2.578 366 S HA 0.117 4.587 4.470 -0.000 0.000 0.231 366 S C 0.554 175.022 174.600 -0.219 0.000 0.994 366 S CA -0.112 57.866 58.200 -0.371 0.000 0.956 366 S CB -0.754 61.959 63.200 -0.812 0.000 0.870 366 S HN 0.128 nan 8.310 nan 0.000 0.494 367 T N 0.798 115.223 114.554 -0.215 0.000 2.824 367 T HA 0.702 5.052 4.350 -0.000 0.000 0.280 367 T C -2.614 172.008 174.700 -0.131 0.000 0.995 367 T CA -1.653 60.364 62.100 -0.137 0.000 1.009 367 T CB 0.707 69.491 68.868 -0.139 0.000 0.955 367 T HN -0.047 nan 8.240 nan 0.000 0.452 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.062 63.100 -0.064 0.000 0.800 368 P CB 0.000 31.679 31.700 -0.035 0.000 0.726