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 1oih_1_D DATA FIRST_RESID 13 DATA SEQUENCE LELDVHPVAG RIGAEIRGVK LSPDLDAATV EAIQAALVRH KVIFFRGQTH DATA SEQUENCE LDDQSQEGFA KLLGEPVXXX XXXXXXXTRY LLQLDXXXXX XANSWHTDVT DATA SEQUENCE FVEAYPKASI LRSVVAPASG GDTVWANTAA AYQELPEPLR ELADKLWAVH DATA SEQUENCE SNXXXXXXXX XXXXXXXXXX XXXXXXXXXY ETEHPVVRVH PISGERALQL DATA SEQUENCE GHFVKRIKGY SLADSQHLFA VLQGHVTRLE NTVRWRWEAG DVAIWDNRAT DATA SEQUENCE QHYAVDDYGT QPRIVRRVTL AGEVPVGVDG QLSRTTR 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 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.878 176.870 0.014 0.000 1.165 13 L CA 0.000 54.848 54.840 0.014 0.000 0.813 13 L CB 0.000 42.071 42.059 0.020 0.000 0.961 14 E N 5.215 125.422 120.200 0.011 0.000 2.073 14 E HA 0.580 4.929 4.350 -0.000 0.000 0.269 14 E C -0.022 176.584 176.600 0.010 0.000 0.917 14 E CA -0.491 55.913 56.400 0.006 0.000 0.757 14 E CB 1.460 31.158 29.700 -0.002 0.000 1.111 14 E HN 0.631 nan 8.360 nan 0.000 0.410 15 L N 1.384 122.616 121.223 0.014 0.000 2.476 15 L HA 0.254 4.594 4.340 -0.000 0.000 0.264 15 L C 0.919 177.779 176.870 -0.017 0.000 1.224 15 L CA -0.330 54.520 54.840 0.016 0.000 0.821 15 L CB 0.383 42.459 42.059 0.029 0.000 1.101 15 L HN 0.473 nan 8.230 nan 0.000 0.488 16 D N 1.184 121.581 120.400 -0.006 0.000 2.483 16 D HA 0.232 4.872 4.640 -0.000 0.000 0.220 16 D C -0.820 175.424 176.300 -0.093 0.000 1.173 16 D CA -0.108 53.874 54.000 -0.030 0.000 0.964 16 D CB 0.313 41.154 40.800 0.068 0.000 1.046 16 D HN 0.055 nan 8.370 nan 0.000 0.517 17 V N 4.986 124.764 119.914 -0.226 0.000 2.439 17 V HA 0.262 4.382 4.120 -0.000 0.000 0.282 17 V C 0.071 175.881 176.094 -0.474 0.000 1.039 17 V CA -0.609 61.538 62.300 -0.255 0.000 0.913 17 V CB 1.516 33.234 31.823 -0.176 0.000 0.983 17 V HN 0.477 nan 8.190 nan 0.000 0.460 18 H N 4.327 123.314 119.070 -0.140 0.000 2.866 18 H HA 0.313 4.869 4.556 -0.000 0.000 0.287 18 H C -2.609 172.644 175.328 -0.124 0.000 1.106 18 H CA -1.888 54.102 56.048 -0.096 0.000 1.396 18 H CB 1.798 31.528 29.762 -0.053 0.000 1.469 18 H HN 0.446 nan 8.280 nan 0.000 0.500 19 P HA -0.105 nan 4.420 nan 0.000 0.264 19 P C 0.968 178.277 177.300 0.014 0.000 1.179 19 P CA 0.219 63.262 63.100 -0.096 0.000 0.763 19 P CB 1.441 33.114 31.700 -0.044 0.000 0.806 20 V N 1.837 121.779 119.914 0.046 0.000 2.690 20 V HA 0.195 4.315 4.120 -0.000 0.000 0.240 20 V C 0.977 177.116 176.094 0.076 0.000 1.078 20 V CA 1.697 64.051 62.300 0.090 0.000 1.102 20 V CB -0.471 31.451 31.823 0.164 0.000 0.800 20 V HN 0.628 nan 8.190 nan 0.000 0.479 21 A N -0.370 122.503 122.820 0.088 0.000 2.344 21 A HA 0.692 5.012 4.320 -0.000 0.000 0.307 21 A C 1.325 178.949 177.584 0.067 0.000 1.151 21 A CA 0.245 52.328 52.037 0.077 0.000 0.842 21 A CB 0.890 19.949 19.000 0.099 0.000 1.350 21 A HN 0.280 nan 8.150 nan 0.000 0.459 22 G N -0.937 107.897 108.800 0.057 0.000 2.448 22 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.218 22 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.218 22 G C 1.117 176.052 174.900 0.059 0.000 1.135 22 G CA 0.719 45.849 45.100 0.050 0.000 0.784 22 G HN 0.653 nan 8.290 nan 0.000 0.543 23 R N -1.193 119.347 120.500 0.066 0.000 2.509 23 R HA 0.536 4.876 4.340 -0.000 0.000 0.297 23 R C -0.340 176.008 176.300 0.080 0.000 0.951 23 R CA -0.119 56.019 56.100 0.063 0.000 1.103 23 R CB 0.902 31.230 30.300 0.047 0.000 1.283 23 R HN 0.359 nan 8.270 nan 0.000 0.534 24 I N -0.953 119.679 120.570 0.104 0.000 2.771 24 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 24 I C -1.703 174.486 176.117 0.122 0.000 1.527 24 I CA -0.205 61.164 61.300 0.115 0.000 1.024 24 I CB 2.119 40.194 38.000 0.124 0.000 1.388 24 I HN 0.230 nan 8.210 nan 0.000 0.447 25 G N 4.615 113.465 108.800 0.084 0.000 2.895 25 G HA2 0.508 4.468 3.960 -0.000 0.000 0.686 25 G HA3 0.508 4.468 3.960 -0.000 0.000 0.686 25 G C -1.115 173.766 174.900 -0.031 0.000 1.108 25 G CA -0.230 44.901 45.100 0.052 0.000 0.761 25 G HN 1.732 nan 8.290 nan 0.000 0.611 26 A N 1.600 124.334 122.820 -0.143 0.000 2.540 26 A HA 0.803 5.123 4.320 -0.000 0.000 0.297 26 A C -0.320 177.172 177.584 -0.153 0.000 1.056 26 A CA 0.088 51.980 52.037 -0.243 0.000 0.700 26 A CB 1.715 20.279 19.000 -0.726 0.000 1.280 26 A HN 1.181 nan 8.150 nan 0.000 0.398 27 E N 2.124 122.302 120.200 -0.037 0.000 2.259 27 E HA 0.520 4.870 4.350 -0.000 0.000 0.281 27 E C -1.006 175.503 176.600 -0.152 0.000 1.027 27 E CA -0.330 56.037 56.400 -0.056 0.000 0.838 27 E CB 0.610 30.366 29.700 0.093 0.000 1.066 27 E HN 0.548 nan 8.360 nan 0.000 0.401 28 I N 5.251 125.606 120.570 -0.360 0.000 2.330 28 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 28 I C 0.266 176.308 176.117 -0.126 0.000 1.001 28 I CA -0.583 60.527 61.300 -0.316 0.000 1.193 28 I CB 1.249 38.875 38.000 -0.623 0.000 1.345 28 I HN 0.380 nan 8.210 nan 0.000 0.461 29 R N 3.420 123.938 120.500 0.030 0.000 2.573 29 R HA 0.589 4.929 4.340 -0.000 0.000 0.272 29 R C 0.837 177.197 176.300 0.099 0.000 1.009 29 R CA -0.177 55.972 56.100 0.082 0.000 1.059 29 R CB 1.341 31.702 30.300 0.101 0.000 1.112 29 R HN 0.911 nan 8.270 nan 0.000 0.517 30 G N 0.132 108.993 108.800 0.103 0.000 2.141 30 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.242 30 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.242 30 G C -0.385 174.580 174.900 0.109 0.000 0.982 30 G CA -0.113 45.043 45.100 0.093 0.000 0.662 30 G HN 0.380 nan 8.290 nan 0.000 0.527 31 V N 0.141 120.146 119.914 0.153 0.000 2.443 31 V HA 0.797 4.917 4.120 -0.000 0.000 0.293 31 V C 0.363 176.535 176.094 0.129 0.000 1.021 31 V CA -0.294 62.100 62.300 0.156 0.000 0.848 31 V CB 1.431 33.409 31.823 0.258 0.000 0.998 31 V HN 0.783 nan 8.190 nan 0.000 0.424 32 K N 5.520 125.980 120.400 0.101 0.000 2.262 32 K HA 0.730 5.050 4.320 -0.000 0.000 0.282 32 K C -0.490 176.141 176.600 0.052 0.000 1.066 32 K CA -0.388 56.011 56.287 0.187 0.000 0.901 32 K CB 0.552 33.211 32.500 0.265 0.000 1.089 32 K HN 0.714 nan 8.250 nan 0.000 0.476 33 L N 2.394 123.555 121.223 -0.103 0.000 2.426 33 L HA 0.456 4.796 4.340 -0.000 0.000 0.271 33 L C 0.848 177.619 176.870 -0.164 0.000 1.169 33 L CA 0.061 54.630 54.840 -0.451 0.000 0.836 33 L CB 1.094 42.568 42.059 -0.976 0.000 1.112 33 L HN 1.022 nan 8.230 nan 0.000 0.465 34 S N 1.432 117.053 115.700 -0.132 0.000 2.595 34 S HA 0.378 4.848 4.470 -0.000 0.000 0.270 34 S C -2.643 172.051 174.600 0.157 0.000 1.145 34 S CA -1.005 57.203 58.200 0.013 0.000 0.825 34 S CB 1.762 64.925 63.200 -0.061 0.000 1.107 34 S HN 0.297 nan 8.310 nan 0.000 0.461 35 P HA 0.167 nan 4.420 nan 0.000 0.234 35 P C -0.168 177.168 177.300 0.060 0.000 1.167 35 P CA 0.803 63.961 63.100 0.096 0.000 0.763 35 P CB -0.145 31.591 31.700 0.060 0.000 0.835 36 D N -1.030 119.399 120.400 0.047 0.000 2.538 36 D HA 0.134 4.774 4.640 -0.000 0.000 0.231 36 D C 0.427 176.747 176.300 0.032 0.000 1.229 36 D CA -0.070 53.945 54.000 0.025 0.000 0.828 36 D CB 0.429 41.231 40.800 0.003 0.000 1.035 36 D HN 0.212 nan 8.370 nan 0.000 0.495 37 L N 2.029 123.291 121.223 0.064 0.000 2.426 37 L HA 0.055 4.395 4.340 -0.000 0.000 0.271 37 L C 0.934 177.832 176.870 0.045 0.000 1.169 37 L CA -0.348 54.533 54.840 0.068 0.000 0.836 37 L CB 0.452 42.590 42.059 0.131 0.000 1.112 37 L HN 0.000 nan 8.230 nan 0.000 0.465 38 D N 1.857 122.279 120.400 0.036 0.000 2.433 38 D HA 0.204 4.844 4.640 -0.000 0.000 0.255 38 D C 0.835 177.146 176.300 0.018 0.000 1.226 38 D CA -0.138 53.875 54.000 0.021 0.000 1.015 38 D CB 0.752 41.563 40.800 0.017 0.000 1.091 38 D HN 0.478 nan 8.370 nan 0.000 0.527 39 A N -0.358 122.467 122.820 0.007 0.000 2.015 39 A HA 0.122 4.442 4.320 -0.000 0.000 0.219 39 A C 2.114 179.702 177.584 0.007 0.000 1.163 39 A CA 1.886 53.923 52.037 -0.000 0.000 0.646 39 A CB -1.213 17.782 19.000 -0.007 0.000 0.806 39 A HN 0.646 nan 8.150 nan 0.000 0.448 40 A N -0.651 122.177 122.820 0.014 0.000 1.873 40 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 40 A C 2.317 179.920 177.584 0.031 0.000 1.186 40 A CA 2.240 54.288 52.037 0.018 0.000 0.616 40 A CB -1.226 17.785 19.000 0.018 0.000 0.823 40 A HN 0.420 nan 8.150 nan 0.000 0.442 41 T N -0.292 114.288 114.554 0.043 0.000 2.777 41 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 41 T C 1.845 176.594 174.700 0.082 0.000 1.040 41 T CA 1.417 63.558 62.100 0.068 0.000 1.141 41 T CB -0.501 68.414 68.868 0.078 0.000 0.868 41 T HN 0.116 nan 8.240 nan 0.000 0.444 42 V N 1.602 121.554 119.914 0.063 0.000 2.392 42 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 42 V C 2.570 178.682 176.094 0.030 0.000 1.059 42 V CA 1.837 64.163 62.300 0.043 0.000 1.051 42 V CB -0.529 31.290 31.823 -0.008 0.000 0.658 42 V HN 0.563 nan 8.190 nan 0.000 0.455 43 E N -0.044 120.170 120.200 0.023 0.000 2.076 43 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 43 E C 2.258 178.873 176.600 0.026 0.000 0.979 43 E CA 1.048 57.456 56.400 0.013 0.000 0.807 43 E CB -0.114 29.589 29.700 0.005 0.000 0.761 43 E HN 0.554 nan 8.360 nan 0.000 0.454 44 A N 1.099 123.943 122.820 0.040 0.000 1.969 44 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 44 A C 2.088 179.712 177.584 0.068 0.000 1.169 44 A CA 0.831 52.895 52.037 0.045 0.000 0.635 44 A CB -0.465 18.564 19.000 0.049 0.000 0.810 44 A HN 0.289 nan 8.150 nan 0.000 0.445 45 I N -0.753 119.878 120.570 0.102 0.000 2.252 45 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 45 I C 2.656 178.829 176.117 0.094 0.000 1.102 45 I CA 1.038 62.428 61.300 0.150 0.000 1.385 45 I CB -0.322 37.821 38.000 0.238 0.000 1.064 45 I HN 0.340 nan 8.210 nan 0.000 0.414 46 Q N 0.584 120.414 119.800 0.050 0.000 2.124 46 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 46 Q C 2.423 178.429 176.000 0.010 0.000 0.977 46 Q CA 1.734 57.547 55.803 0.018 0.000 0.850 46 Q CB -0.262 28.472 28.738 -0.006 0.000 0.901 46 Q HN 0.563 nan 8.270 nan 0.000 0.429 47 A N 0.914 123.740 122.820 0.009 0.000 1.898 47 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 47 A C 2.320 179.891 177.584 -0.023 0.000 1.181 47 A CA 1.589 53.618 52.037 -0.013 0.000 0.620 47 A CB -0.546 18.448 19.000 -0.010 0.000 0.819 47 A HN 0.350 nan 8.150 nan 0.000 0.442 48 A N -0.462 122.372 122.820 0.023 0.000 1.902 48 A HA -0.024 4.295 4.320 -0.000 0.000 0.217 48 A C 2.112 179.726 177.584 0.050 0.000 1.181 48 A CA 1.701 53.788 52.037 0.083 0.000 0.623 48 A CB -0.604 18.452 19.000 0.093 0.000 0.818 48 A HN 0.616 nan 8.150 nan 0.000 0.443 49 L N -0.078 121.155 121.223 0.017 0.000 2.017 49 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 49 L C 2.415 179.266 176.870 -0.030 0.000 1.073 49 L CA 1.946 56.782 54.840 -0.007 0.000 0.745 49 L CB -0.573 41.490 42.059 0.008 0.000 0.894 49 L HN 0.157 nan 8.230 nan 0.000 0.432 50 V N -0.109 119.776 119.914 -0.049 0.000 2.343 50 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 50 V C 2.779 178.766 176.094 -0.178 0.000 1.051 50 V CA 2.122 64.355 62.300 -0.112 0.000 1.036 50 V CB -0.693 31.064 31.823 -0.111 0.000 0.654 50 V HN 0.529 nan 8.190 nan 0.000 0.451 51 R N -1.113 119.256 120.500 -0.219 0.000 2.073 51 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 51 R C 2.192 178.240 176.300 -0.420 0.000 1.120 51 R CA 1.393 57.268 56.100 -0.374 0.000 0.967 51 R CB -0.091 29.869 30.300 -0.567 0.000 0.862 51 R HN 0.583 nan 8.270 nan 0.000 0.436 52 H N -0.681 118.338 119.070 -0.086 0.000 2.648 52 H HA 0.213 4.769 4.556 -0.000 0.000 0.265 52 H C 0.672 175.939 175.328 -0.101 0.000 0.961 52 H CA 0.549 56.543 56.048 -0.091 0.000 1.185 52 H CB 0.917 30.608 29.762 -0.118 0.000 1.449 52 H HN 0.056 nan 8.280 nan 0.000 0.523 53 K N -0.551 119.844 120.400 -0.009 0.000 3.658 53 K HA -0.166 4.154 4.320 -0.000 0.000 0.372 53 K C 0.023 176.578 176.600 -0.075 0.000 0.598 53 K CA 1.256 57.539 56.287 -0.006 0.000 1.635 53 K CB -0.941 31.581 32.500 0.036 0.000 1.178 53 K HN 0.183 nan 8.250 nan 0.000 0.470 54 V N 1.243 121.007 119.914 -0.251 0.000 2.733 54 V HA 0.695 4.815 4.120 -0.000 0.000 0.306 54 V C -1.349 174.251 176.094 -0.823 0.000 1.084 54 V CA -0.547 61.372 62.300 -0.635 0.000 0.905 54 V CB 1.496 32.594 31.823 -1.210 0.000 1.010 54 V HN 0.282 nan 8.190 nan 0.000 0.424 55 I N 2.792 122.818 120.570 -0.906 0.000 2.646 55 I HA 0.745 4.915 4.170 -0.000 0.000 0.299 55 I C -1.630 173.777 176.117 -1.184 0.000 1.036 55 I CA -0.685 60.072 61.300 -0.905 0.000 1.074 55 I CB 2.318 40.048 38.000 -0.451 0.000 1.258 55 I HN 0.456 nan 8.210 nan 0.000 0.430 56 F N 3.807 123.342 119.950 -0.692 0.000 2.520 56 F HA 0.636 5.163 4.527 -0.000 0.000 0.322 56 F C -0.892 174.500 175.800 -0.680 0.000 1.103 56 F CA -0.643 56.907 58.000 -0.750 0.000 0.926 56 F CB 1.946 40.195 39.000 -1.253 0.000 1.154 56 F HN 0.250 nan 8.300 nan 0.000 0.453 57 F N 2.677 122.600 119.950 -0.045 0.000 2.460 57 F HA 0.554 5.081 4.527 -0.000 0.000 0.341 57 F C 0.212 176.052 175.800 0.066 0.000 1.130 57 F CA -0.918 57.083 58.000 0.001 0.000 0.962 57 F CB 1.356 40.322 39.000 -0.057 0.000 1.171 57 F HN 0.260 nan 8.300 nan 0.000 0.436 58 R N 0.946 121.591 120.500 0.243 0.000 2.532 58 R HA 0.569 4.909 4.340 -0.000 0.000 0.272 58 R C 0.740 177.121 176.300 0.135 0.000 1.032 58 R CA -0.247 55.988 56.100 0.224 0.000 1.089 58 R CB 1.090 31.513 30.300 0.206 0.000 1.098 58 R HN 0.915 nan 8.270 nan 0.000 0.526 59 G N 1.556 110.416 108.800 0.100 0.000 2.246 59 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.273 59 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.273 59 G C 0.122 174.975 174.900 -0.078 0.000 1.055 59 G CA -0.099 45.018 45.100 0.028 0.000 0.851 59 G HN 0.495 nan 8.290 nan 0.000 0.500 60 Q N -0.444 119.285 119.800 -0.117 0.000 2.579 60 Q HA 0.367 4.707 4.340 -0.000 0.000 0.344 60 Q C 2.008 177.817 176.000 -0.318 0.000 0.997 60 Q CA 0.782 56.356 55.803 -0.380 0.000 0.991 60 Q CB -0.292 28.281 28.738 -0.275 0.000 1.279 60 Q HN 0.775 nan 8.270 nan 0.000 0.420 61 T N -0.235 114.206 114.554 -0.189 0.000 2.788 61 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 61 T C 1.509 176.205 174.700 -0.007 0.000 1.044 61 T CA 1.620 63.687 62.100 -0.054 0.000 1.139 61 T CB -0.757 68.108 68.868 -0.005 0.000 0.867 61 T HN 0.658 nan 8.240 nan 0.000 0.454 62 H N -0.853 118.225 119.070 0.013 0.000 2.557 62 H HA 0.212 4.768 4.556 -0.000 0.000 0.287 62 H C 0.689 176.015 175.328 -0.003 0.000 1.043 62 H CA -0.198 55.852 56.048 0.004 0.000 1.226 62 H CB -0.209 29.551 29.762 -0.004 0.000 1.361 62 H HN 0.413 nan 8.280 nan 0.000 0.592 63 L N 1.806 123.157 121.223 0.214 0.000 2.360 63 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 63 L C -0.261 176.672 176.870 0.105 0.000 1.057 63 L CA 0.567 55.546 54.840 0.231 0.000 0.803 63 L CB 1.602 43.700 42.059 0.064 0.000 1.207 63 L HN 0.442 nan 8.230 nan 0.000 0.445 64 D N 0.798 121.252 120.400 0.090 0.000 2.559 64 D HA 0.464 5.104 4.640 -0.000 0.000 0.250 64 D C 0.554 176.887 176.300 0.056 0.000 1.135 64 D CA 0.230 54.267 54.000 0.062 0.000 0.955 64 D CB 0.744 41.576 40.800 0.053 0.000 1.442 64 D HN 0.752 nan 8.370 nan 0.000 0.471 65 D N -1.812 118.615 120.400 0.045 0.000 2.190 65 D HA 0.101 4.741 4.640 -0.000 0.000 0.200 65 D C 2.127 178.459 176.300 0.052 0.000 0.992 65 D CA 3.271 57.299 54.000 0.045 0.000 0.854 65 D CB -0.715 40.105 40.800 0.034 0.000 0.936 65 D HN 0.824 nan 8.370 nan 0.000 0.462 66 Q N -1.193 118.636 119.800 0.047 0.000 2.226 66 Q HA 0.420 4.760 4.340 -0.000 0.000 0.199 66 Q C 2.696 178.733 176.000 0.062 0.000 0.945 66 Q CA 1.578 57.409 55.803 0.047 0.000 0.861 66 Q CB -0.981 27.774 28.738 0.029 0.000 0.953 66 Q HN 0.865 nan 8.270 nan 0.000 0.490 67 S N 0.443 116.180 115.700 0.062 0.000 2.507 67 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 67 S C 1.961 176.628 174.600 0.112 0.000 0.988 67 S CA 1.538 59.782 58.200 0.073 0.000 0.944 67 S CB -0.158 63.077 63.200 0.059 0.000 0.762 67 S HN 0.696 nan 8.310 nan 0.000 0.526 68 Q N 0.151 120.017 119.800 0.111 0.000 2.165 68 Q HA -0.012 4.328 4.340 -0.000 0.000 0.197 68 Q C 1.942 178.039 176.000 0.161 0.000 0.952 68 Q CA 0.867 56.755 55.803 0.141 0.000 0.848 68 Q CB -0.168 28.630 28.738 0.101 0.000 0.931 68 Q HN 0.748 nan 8.270 nan 0.000 0.470 69 E N -0.633 119.642 120.200 0.124 0.000 2.153 69 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 69 E C 1.547 178.211 176.600 0.107 0.000 0.988 69 E CA 1.247 57.724 56.400 0.128 0.000 0.811 69 E CB -0.146 29.645 29.700 0.151 0.000 0.746 69 E HN 0.512 nan 8.360 nan 0.000 0.466 70 G N -0.266 108.597 108.800 0.105 0.000 2.662 70 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.212 70 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.212 70 G C 1.148 176.093 174.900 0.076 0.000 1.141 70 G CA 0.067 45.212 45.100 0.076 0.000 0.797 70 G HN 0.328 nan 8.290 nan 0.000 0.531 71 F N 2.717 122.656 119.950 -0.018 0.000 2.102 71 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 71 F C 2.645 178.411 175.800 -0.058 0.000 1.105 71 F CA 1.318 59.290 58.000 -0.046 0.000 1.239 71 F CB -0.335 38.626 39.000 -0.065 0.000 0.991 71 F HN 0.186 nan 8.300 nan 0.000 0.474 72 A N 0.615 123.314 122.820 -0.203 0.000 1.940 72 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 72 A C 2.320 179.718 177.584 -0.309 0.000 1.176 72 A CA 2.723 54.572 52.037 -0.312 0.000 0.631 72 A CB -1.501 17.427 19.000 -0.121 0.000 0.814 72 A HN 0.473 nan 8.150 nan 0.000 0.446 73 K N 0.061 120.343 120.400 -0.196 0.000 2.209 73 K HA 0.097 4.417 4.320 -0.000 0.000 0.204 73 K C 1.777 178.266 176.600 -0.186 0.000 1.048 73 K CA 1.481 57.672 56.287 -0.160 0.000 0.940 73 K CB -1.123 31.339 32.500 -0.063 0.000 0.729 73 K HN 0.569 nan 8.250 nan 0.000 0.451 74 L N -0.239 120.838 121.223 -0.244 0.000 2.275 74 L HA -0.003 4.337 4.340 -0.000 0.000 0.215 74 L C 2.274 178.987 176.870 -0.262 0.000 1.119 74 L CA 0.854 55.552 54.840 -0.237 0.000 0.790 74 L CB -0.235 41.663 42.059 -0.268 0.000 0.919 74 L HN 0.282 nan 8.230 nan 0.000 0.443 75 L N -1.540 119.482 121.223 -0.335 0.000 2.556 75 L HA 0.322 4.662 4.340 -0.000 0.000 0.226 75 L C 1.002 177.749 176.870 -0.205 0.000 1.089 75 L CA 0.297 54.971 54.840 -0.275 0.000 0.864 75 L CB 0.262 42.117 42.059 -0.340 0.000 1.067 75 L HN 0.306 nan 8.230 nan 0.000 0.477 76 G N -0.637 108.039 108.800 -0.206 0.000 2.364 76 G HA2 0.401 4.361 3.960 -0.000 0.000 0.286 76 G HA3 0.401 4.361 3.960 -0.000 0.000 0.286 76 G C -1.677 173.107 174.900 -0.192 0.000 1.241 76 G CA 0.043 45.036 45.100 -0.177 0.000 0.887 76 G HN -0.131 nan 8.290 nan 0.000 0.484 77 E N 0.732 120.816 120.200 -0.194 0.000 2.092 77 E HA 0.746 5.096 4.350 -0.000 0.000 0.271 77 E C -2.718 173.690 176.600 -0.320 0.000 0.919 77 E CA -1.750 54.511 56.400 -0.232 0.000 0.760 77 E CB 1.021 30.619 29.700 -0.169 0.000 1.106 77 E HN 0.430 nan 8.360 nan 0.000 0.408 78 P HA 0.362 nan 4.420 nan 0.000 0.268 78 P C -0.052 176.918 177.300 -0.550 0.000 1.208 78 P CA 0.209 62.919 63.100 -0.649 0.000 0.777 78 P CB 1.102 32.055 31.700 -1.245 0.000 0.875 91 R N 1.183 121.558 120.500 -0.208 0.000 2.175 91 R HA 0.359 4.699 4.340 -0.000 0.000 0.202 91 R C 1.057 177.068 176.300 -0.481 0.000 1.018 91 R CA 1.153 56.976 56.100 -0.461 0.000 1.029 91 R CB -0.607 29.211 30.300 -0.803 0.000 0.959 91 R HN 0.831 nan 8.270 nan 0.000 0.480 92 Y N -1.747 118.558 120.300 0.008 0.000 2.441 92 Y HA 0.345 4.895 4.550 -0.000 0.000 0.266 92 Y C 0.512 176.421 175.900 0.014 0.000 1.093 92 Y CA -1.017 57.088 58.100 0.008 0.000 1.246 92 Y CB 0.526 38.985 38.460 -0.001 0.000 1.262 92 Y HN 0.126 nan 8.280 nan 0.000 0.518 93 L N 2.678 123.996 121.223 0.158 0.000 2.562 93 L HA 0.312 4.652 4.340 -0.000 0.000 0.271 93 L C -0.129 176.789 176.870 0.080 0.000 1.167 93 L CA 0.314 55.217 54.840 0.106 0.000 0.917 93 L CB -0.143 41.965 42.059 0.080 0.000 1.187 93 L HN 0.113 nan 8.230 nan 0.000 0.482 94 L N 5.315 126.586 121.223 0.080 0.000 2.295 94 L HA 0.586 4.926 4.340 -0.000 0.000 0.285 94 L C 0.048 176.953 176.870 0.058 0.000 1.035 94 L CA -0.701 54.182 54.840 0.071 0.000 0.806 94 L CB 1.075 43.185 42.059 0.085 0.000 1.214 94 L HN 0.802 nan 8.230 nan 0.000 0.426 95 Q N 2.752 122.579 119.800 0.045 0.000 2.274 95 Q HA 0.646 4.986 4.340 -0.000 0.000 0.256 95 Q C -1.470 174.551 176.000 0.035 0.000 0.927 95 Q CA -0.577 55.245 55.803 0.032 0.000 0.939 95 Q CB 1.243 29.995 28.738 0.023 0.000 1.201 95 Q HN 0.701 nan 8.270 nan 0.000 0.426 96 L N 4.846 126.085 121.223 0.027 0.000 2.305 96 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 96 L C -0.593 176.281 176.870 0.007 0.000 1.013 96 L CA -0.454 54.404 54.840 0.030 0.000 0.819 96 L CB 0.707 42.794 42.059 0.047 0.000 1.227 96 L HN 0.844 nan 8.230 nan 0.000 0.417 105 N N 0.088 118.502 118.700 -0.478 0.000 3.331 105 N HA 0.432 5.171 4.740 -0.000 0.000 0.303 105 N C -0.273 174.577 175.510 -1.099 0.000 1.326 105 N CA 0.423 52.879 53.050 -0.989 0.000 1.207 105 N CB 0.578 38.742 38.487 -0.537 0.000 1.477 105 N HN 0.161 nan 8.380 nan 0.000 0.541 106 S N 0.640 115.788 115.700 -0.920 0.000 2.543 106 S HA 0.254 4.724 4.470 -0.000 0.000 0.273 106 S C -1.646 172.976 174.600 0.038 0.000 1.152 106 S CA -0.879 57.155 58.200 -0.277 0.000 0.910 106 S CB 0.515 63.673 63.200 -0.069 0.000 1.105 106 S HN 0.479 nan 8.310 nan 0.000 0.465 107 W N 6.035 127.489 121.300 0.257 0.000 2.304 107 W HA 0.443 5.103 4.660 -0.000 0.000 0.313 107 W C 0.862 177.371 176.519 -0.016 0.000 1.323 107 W CA 0.380 57.834 57.345 0.183 0.000 1.223 107 W CB 0.522 30.081 29.460 0.164 0.000 1.237 107 W HN 0.673 nan 8.180 nan 0.000 0.535 108 H N 0.388 119.374 119.070 -0.139 0.000 3.042 108 H HA 0.453 5.009 4.556 0.000 0.000 0.346 108 H C -1.384 173.791 175.328 -0.255 0.000 1.294 108 H CA -1.156 54.636 56.048 -0.427 0.000 1.141 108 H CB 0.809 29.869 29.762 -1.170 0.000 1.872 108 H HN 0.062 nan 8.280 nan 0.000 0.541 109 T N 1.901 116.358 114.554 -0.162 0.000 2.867 109 T HA 0.181 4.531 4.350 -0.000 0.000 0.282 109 T C -0.357 174.389 174.700 0.077 0.000 1.000 109 T CA -0.659 61.393 62.100 -0.079 0.000 1.042 109 T CB 0.833 69.678 68.868 -0.039 0.000 0.973 109 T HN 0.402 nan 8.240 nan 0.000 0.465 110 D N 2.387 122.892 120.400 0.175 0.000 2.383 110 D HA 0.169 4.809 4.640 -0.000 0.000 0.252 110 D C 0.835 177.204 176.300 0.115 0.000 1.166 110 D CA 0.223 54.429 54.000 0.343 0.000 0.879 110 D CB 0.775 41.834 40.800 0.431 0.000 1.164 110 D HN 0.484 nan 8.370 nan 0.000 0.462 111 V N 2.143 122.095 119.914 0.063 0.000 5.306 111 V HA -0.298 3.822 4.120 -0.000 0.000 0.296 111 V C 1.744 177.376 176.094 -0.769 0.000 0.463 111 V CA 1.561 63.494 62.300 -0.613 0.000 0.715 111 V CB -2.881 28.702 31.823 -0.401 0.000 0.548 111 V HN 0.800 nan 8.190 nan 0.000 1.307 112 T N -2.438 111.839 114.554 -0.462 0.000 3.160 112 T HA 0.030 4.380 4.350 -0.000 0.000 0.257 112 T C 1.073 175.680 174.700 -0.155 0.000 1.147 112 T CA 1.144 63.085 62.100 -0.265 0.000 1.064 112 T CB -0.484 68.357 68.868 -0.045 0.000 0.949 112 T HN 1.029 nan 8.240 nan 0.000 0.526 113 F N 2.207 122.032 119.950 -0.208 0.000 2.699 113 F HA 0.416 4.943 4.527 0.000 0.000 0.298 113 F C 0.572 176.324 175.800 -0.079 0.000 1.154 113 F CA -1.096 56.817 58.000 -0.144 0.000 1.457 113 F CB -1.136 37.722 39.000 -0.237 0.000 1.106 113 F HN 0.174 nan 8.300 nan 0.000 0.585 114 V N -1.889 117.870 119.914 -0.258 0.000 2.975 114 V HA 0.404 4.524 4.120 -0.000 0.000 0.318 114 V C 1.131 177.297 176.094 0.120 0.000 1.077 114 V CA -0.858 61.421 62.300 -0.036 0.000 1.000 114 V CB 1.703 33.474 31.823 -0.087 0.000 1.066 114 V HN 0.156 nan 8.190 nan 0.000 0.452 115 E N 1.831 122.104 120.200 0.122 0.000 2.007 115 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 115 E C 1.160 177.812 176.600 0.086 0.000 0.999 115 E CA 1.593 58.105 56.400 0.187 0.000 0.811 115 E CB -0.109 29.648 29.700 0.094 0.000 0.762 115 E HN 0.974 nan 8.360 nan 0.000 0.450 116 A N 1.273 124.081 122.820 -0.020 0.000 3.000 116 A HA 0.217 4.537 4.320 -0.000 0.000 0.315 116 A C -0.530 176.969 177.584 -0.141 0.000 1.434 116 A CA -0.518 51.429 52.037 -0.150 0.000 1.108 116 A CB -0.755 18.175 19.000 -0.117 0.000 1.171 116 A HN 0.297 nan 8.150 nan 0.000 0.524 117 Y N 0.031 120.278 120.300 -0.088 0.000 2.330 117 Y HA 0.562 5.112 4.550 -0.000 0.000 0.341 117 Y C -2.698 173.152 175.900 -0.083 0.000 1.278 117 Y CA -3.352 54.687 58.100 -0.101 0.000 1.453 117 Y CB -0.705 37.695 38.460 -0.099 0.000 1.342 117 Y HN 0.277 nan 8.280 nan 0.000 0.590 118 P HA 0.005 nan 4.420 nan 0.000 0.266 118 P C -0.110 177.240 177.300 0.083 0.000 1.195 118 P CA 0.096 63.241 63.100 0.076 0.000 0.768 118 P CB 0.670 32.419 31.700 0.081 0.000 0.838 119 K N 2.084 122.457 120.400 -0.044 0.000 2.305 119 K HA 0.345 4.665 4.320 -0.000 0.000 0.199 119 K C 0.321 176.898 176.600 -0.040 0.000 1.047 119 K CA 0.332 56.586 56.287 -0.056 0.000 0.976 119 K CB 0.313 32.739 32.500 -0.123 0.000 0.765 119 K HN 0.403 nan 8.250 nan 0.000 0.474 120 A N 0.189 122.940 122.820 -0.115 0.000 2.597 120 A HA 0.572 4.892 4.320 -0.000 0.000 0.292 120 A C -1.417 175.911 177.584 -0.426 0.000 1.057 120 A CA -0.819 51.056 52.037 -0.269 0.000 0.674 120 A CB 1.798 20.668 19.000 -0.217 0.000 1.278 120 A HN 0.080 nan 8.150 nan 0.000 0.416 121 S N -0.511 114.689 115.700 -0.833 0.000 2.569 121 S HA 0.776 5.246 4.470 -0.000 0.000 0.280 121 S C -1.271 172.907 174.600 -0.703 0.000 1.111 121 S CA -0.321 57.395 58.200 -0.806 0.000 0.887 121 S CB 1.316 63.889 63.200 -1.045 0.000 1.095 121 S HN 0.582 nan 8.310 nan 0.000 0.476 122 I N 2.530 122.911 120.570 -0.315 0.000 2.410 122 I HA 0.505 4.675 4.170 -0.000 0.000 0.286 122 I C -1.214 174.927 176.117 0.039 0.000 1.009 122 I CA -0.238 61.017 61.300 -0.074 0.000 1.111 122 I CB 1.547 39.568 38.000 0.035 0.000 1.262 122 I HN 0.379 nan 8.210 nan 0.000 0.443 123 L N 7.197 128.539 121.223 0.199 0.000 2.381 123 L HA 0.647 4.987 4.340 -0.000 0.000 0.274 123 L C -0.600 176.435 176.870 0.275 0.000 0.988 123 L CA -0.372 54.636 54.840 0.281 0.000 0.824 123 L CB 1.375 43.775 42.059 0.569 0.000 1.263 123 L HN 0.611 nan 8.230 nan 0.000 0.410 124 R N 2.751 123.325 120.500 0.122 0.000 2.534 124 R HA 0.585 4.925 4.340 -0.000 0.000 0.301 124 R C -0.985 175.297 176.300 -0.030 0.000 0.961 124 R CA -0.409 55.757 56.100 0.110 0.000 0.871 124 R CB 1.776 32.122 30.300 0.078 0.000 1.170 124 R HN 0.698 nan 8.270 nan 0.000 0.446 125 S N 2.687 118.381 115.700 -0.009 0.000 2.474 125 S HA 0.171 4.641 4.470 -0.000 0.000 0.276 125 S C 0.682 175.272 174.600 -0.017 0.000 1.227 125 S CA -0.666 57.463 58.200 -0.119 0.000 1.050 125 S CB 1.189 64.427 63.200 0.064 0.000 0.939 125 S HN 0.489 nan 8.310 nan 0.000 0.490 126 V N 5.291 125.173 119.914 -0.052 0.000 2.690 126 V HA 0.235 4.355 4.120 -0.000 0.000 0.240 126 V C 0.042 176.126 176.094 -0.017 0.000 1.078 126 V CA 0.477 62.767 62.300 -0.017 0.000 1.102 126 V CB 0.491 32.303 31.823 -0.019 0.000 0.800 126 V HN 0.711 nan 8.190 nan 0.000 0.479 127 V N 0.654 120.540 119.914 -0.045 0.000 2.525 127 V HA 0.834 4.954 4.120 -0.000 0.000 0.299 127 V C -0.504 175.547 176.094 -0.071 0.000 1.034 127 V CA -0.503 61.773 62.300 -0.039 0.000 0.863 127 V CB 1.366 33.169 31.823 -0.034 0.000 0.999 127 V HN 0.285 nan 8.190 nan 0.000 0.423 128 A N 6.286 129.084 122.820 -0.038 0.000 2.319 128 A HA 0.921 5.241 4.320 -0.000 0.000 0.310 128 A C -2.715 174.847 177.584 -0.036 0.000 1.152 128 A CA -1.721 50.294 52.037 -0.038 0.000 0.783 128 A CB 0.995 20.027 19.000 0.054 0.000 1.184 128 A HN 0.651 nan 8.150 nan 0.000 0.474 129 P HA 0.131 nan 4.420 nan 0.000 0.265 129 P C 1.000 178.300 177.300 0.000 0.000 1.187 129 P CA 0.601 63.676 63.100 -0.041 0.000 0.766 129 P CB 0.830 32.480 31.700 -0.083 0.000 0.820 130 A N 2.288 125.116 122.820 0.014 0.000 2.015 130 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 130 A C 0.854 178.447 177.584 0.016 0.000 1.163 130 A CA 1.559 53.605 52.037 0.013 0.000 0.646 130 A CB -0.531 18.477 19.000 0.013 0.000 0.806 130 A HN 0.621 nan 8.150 nan 0.000 0.448 131 S N -2.750 112.970 115.700 0.033 0.000 2.540 131 S HA 0.634 5.104 4.470 -0.000 0.000 0.275 131 S C 0.018 174.664 174.600 0.077 0.000 1.123 131 S CA 0.090 58.313 58.200 0.039 0.000 0.907 131 S CB 1.215 64.435 63.200 0.033 0.000 1.081 131 S HN 2.135 nan 8.310 nan 0.000 0.476 132 G N 0.939 109.786 108.800 0.078 0.000 2.760 132 G HA2 0.366 4.326 3.960 -0.000 0.000 0.246 132 G HA3 0.366 4.326 3.960 -0.000 0.000 0.246 132 G C 0.744 175.717 174.900 0.122 0.000 1.359 132 G CA 0.439 45.621 45.100 0.138 0.000 0.861 132 G HN 2.633 nan 8.290 nan 0.000 0.541 133 G N -1.237 107.677 108.800 0.191 0.000 2.141 133 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.231 133 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.231 133 G C 0.086 175.112 174.900 0.211 0.000 0.984 133 G CA 1.067 46.186 45.100 0.032 0.000 0.660 133 G HN 1.291 nan 8.290 nan 0.000 0.525 134 D N 0.700 121.237 120.400 0.227 0.000 2.368 134 D HA 0.539 5.179 4.640 -0.000 0.000 0.240 134 D C 0.708 177.170 176.300 0.270 0.000 1.169 134 D CA 0.776 54.923 54.000 0.245 0.000 0.906 134 D CB 0.773 41.632 40.800 0.099 0.000 1.187 134 D HN 0.103 nan 8.370 nan 0.000 0.435 135 T N 0.168 114.879 114.554 0.261 0.000 2.856 135 T HA 0.544 4.894 4.350 -0.000 0.000 0.283 135 T C -0.389 174.217 174.700 -0.155 0.000 1.008 135 T CA -0.706 61.378 62.100 -0.027 0.000 0.997 135 T CB 1.476 70.268 68.868 -0.126 0.000 0.992 135 T HN 0.003 nan 8.240 nan 0.000 0.454 136 V N 2.486 122.213 119.914 -0.313 0.000 2.555 136 V HA 0.550 4.670 4.120 -0.000 0.000 0.302 136 V C -0.734 175.252 176.094 -0.180 0.000 1.038 136 V CA -1.049 61.201 62.300 -0.083 0.000 0.887 136 V CB 1.809 33.591 31.823 -0.069 0.000 0.991 136 V HN 0.784 nan 8.190 nan 0.000 0.434 137 W N 1.699 123.137 121.300 0.231 0.000 2.706 137 W HA 0.812 5.472 4.660 0.000 0.000 0.346 137 W C -0.143 176.590 176.519 0.356 0.000 1.071 137 W CA -0.782 56.727 57.345 0.273 0.000 1.206 137 W CB 2.483 32.011 29.460 0.113 0.000 1.413 137 W HN 0.651 nan 8.180 nan 0.000 0.542 138 A N 2.443 125.582 122.820 0.531 0.000 2.365 138 A HA 0.364 4.684 4.320 -0.000 0.000 0.318 138 A C -0.572 177.117 177.584 0.176 0.000 1.091 138 A CA -0.720 51.442 52.037 0.209 0.000 0.763 138 A CB 1.294 20.222 19.000 -0.121 0.000 1.248 138 A HN 0.518 nan 8.150 nan 0.000 0.442 139 N N 1.668 120.434 118.700 0.110 0.000 2.469 139 N HA 0.110 4.850 4.740 -0.000 0.000 0.239 139 N C 1.111 176.655 175.510 0.057 0.000 1.053 139 N CA 0.536 53.642 53.050 0.093 0.000 0.937 139 N CB 0.997 39.529 38.487 0.075 0.000 1.163 139 N HN 0.677 nan 8.380 nan 0.000 0.509 140 T N 0.216 114.811 114.554 0.068 0.000 3.085 140 T HA 0.076 4.426 4.350 -0.000 0.000 0.263 140 T C 1.561 176.301 174.700 0.066 0.000 1.127 140 T CA 0.656 62.788 62.100 0.052 0.000 1.103 140 T CB 0.111 69.014 68.868 0.058 0.000 0.921 140 T HN 0.329 nan 8.240 nan 0.000 0.510 141 A N 1.650 124.504 122.820 0.056 0.000 1.898 141 A HA 0.544 4.864 4.320 -0.000 0.000 0.214 141 A C 2.780 180.414 177.584 0.084 0.000 1.183 141 A CA 1.199 53.268 52.037 0.053 0.000 0.622 141 A CB -1.298 17.702 19.000 -0.000 0.000 0.824 141 A HN 0.658 nan 8.150 nan 0.000 0.444 142 A N 0.100 122.952 122.820 0.053 0.000 1.933 142 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 142 A C 2.472 180.081 177.584 0.042 0.000 1.175 142 A CA 2.089 54.152 52.037 0.043 0.000 0.628 142 A CB -0.975 18.045 19.000 0.033 0.000 0.814 142 A HN 1.019 nan 8.150 nan 0.000 0.444 143 A N -1.401 121.447 122.820 0.047 0.000 1.902 143 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 143 A C 2.150 179.736 177.584 0.003 0.000 1.181 143 A CA 1.703 53.761 52.037 0.035 0.000 0.623 143 A CB -0.853 18.164 19.000 0.028 0.000 0.818 143 A HN 0.757 nan 8.150 nan 0.000 0.443 144 Y N 0.471 120.731 120.300 -0.066 0.000 2.145 144 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 144 Y C 2.534 178.379 175.900 -0.092 0.000 1.145 144 Y CA 2.387 60.436 58.100 -0.084 0.000 1.148 144 Y CB -0.419 38.009 38.460 -0.053 0.000 0.981 144 Y HN 0.428 nan 8.280 nan 0.000 0.507 145 Q N -0.026 119.798 119.800 0.039 0.000 2.135 145 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 145 Q C 1.990 177.903 176.000 -0.145 0.000 0.981 145 Q CA 1.836 57.615 55.803 -0.041 0.000 0.856 145 Q CB -0.229 28.532 28.738 0.038 0.000 0.902 145 Q HN 0.780 nan 8.270 nan 0.000 0.425 146 E N 0.317 120.435 120.200 -0.137 0.000 2.481 146 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 146 E C -0.038 176.415 176.600 -0.245 0.000 1.047 146 E CA -0.107 56.212 56.400 -0.135 0.000 0.867 146 E CB -0.058 29.612 29.700 -0.050 0.000 0.858 146 E HN 0.247 nan 8.360 nan 0.000 0.513 147 L N 2.481 123.466 121.223 -0.397 0.000 2.453 147 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 147 L C -1.992 174.700 176.870 -0.297 0.000 1.182 147 L CA -1.961 52.604 54.840 -0.458 0.000 0.858 147 L CB -0.102 41.646 42.059 -0.518 0.000 1.120 147 L HN -0.088 nan 8.230 nan 0.000 0.474 148 P HA -0.047 nan 4.420 nan 0.000 0.268 148 P C 0.519 177.731 177.300 -0.148 0.000 1.208 148 P CA -0.067 62.949 63.100 -0.140 0.000 0.777 148 P CB 0.582 32.226 31.700 -0.093 0.000 0.875 149 E N 3.488 123.622 120.200 -0.111 0.000 2.097 149 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 149 E C -0.815 175.737 176.600 -0.080 0.000 1.000 149 E CA 1.815 58.156 56.400 -0.098 0.000 0.804 149 E CB -1.239 28.425 29.700 -0.059 0.000 0.740 149 E HN 0.412 nan 8.360 nan 0.000 0.454 150 P HA -0.155 nan 4.420 nan 0.000 0.218 150 P C 1.333 178.605 177.300 -0.046 0.000 1.148 150 P CA 0.850 63.928 63.100 -0.037 0.000 0.822 150 P CB 0.004 31.689 31.700 -0.026 0.000 0.784 151 L N -0.717 120.457 121.223 -0.082 0.000 2.179 151 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 151 L C 2.256 179.050 176.870 -0.126 0.000 1.096 151 L CA 1.528 56.310 54.840 -0.095 0.000 0.779 151 L CB -0.806 41.180 42.059 -0.121 0.000 0.922 151 L HN -0.221 nan 8.230 nan 0.000 0.443 152 R N -0.226 120.152 120.500 -0.203 0.000 2.083 152 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 152 R C 2.094 178.378 176.300 -0.027 0.000 1.137 152 R CA 1.922 57.866 56.100 -0.259 0.000 0.951 152 R CB -0.373 29.677 30.300 -0.417 0.000 0.851 152 R HN 0.504 nan 8.270 nan 0.000 0.434 153 E N 0.513 120.705 120.200 -0.015 0.000 2.077 153 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 153 E C 1.936 178.573 176.600 0.062 0.000 0.989 153 E CA 0.949 57.374 56.400 0.041 0.000 0.800 153 E CB -0.106 29.610 29.700 0.026 0.000 0.746 153 E HN 0.092 nan 8.360 nan 0.000 0.452 154 L N 0.970 122.218 121.223 0.041 0.000 2.017 154 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 154 L C 2.201 179.116 176.870 0.076 0.000 1.073 154 L CA 2.105 56.981 54.840 0.060 0.000 0.745 154 L CB -0.740 41.337 42.059 0.031 0.000 0.894 154 L HN 0.049 nan 8.230 nan 0.000 0.432 155 A N -0.779 122.078 122.820 0.063 0.000 1.940 155 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 155 A C 1.930 179.586 177.584 0.120 0.000 1.176 155 A CA 1.862 53.954 52.037 0.090 0.000 0.631 155 A CB -0.936 18.136 19.000 0.120 0.000 0.814 155 A HN 0.563 nan 8.150 nan 0.000 0.446 156 D N -0.319 120.171 120.400 0.151 0.000 2.265 156 D HA -0.111 4.529 4.640 -0.000 0.000 0.208 156 D C 1.552 177.928 176.300 0.127 0.000 0.977 156 D CA 1.295 55.373 54.000 0.129 0.000 0.871 156 D CB -0.123 40.761 40.800 0.139 0.000 0.925 156 D HN 0.579 nan 8.370 nan 0.000 0.485 157 K N -0.589 119.905 120.400 0.157 0.000 2.353 157 K HA 0.211 4.531 4.320 -0.000 0.000 0.195 157 K C 0.531 177.321 176.600 0.317 0.000 1.031 157 K CA -0.104 56.320 56.287 0.228 0.000 1.079 157 K CB 0.994 33.611 32.500 0.194 0.000 0.857 157 K HN 0.052 nan 8.250 nan 0.000 0.535 158 L N 0.646 122.004 121.223 0.225 0.000 2.375 158 L HA 0.303 4.643 4.340 -0.000 0.000 0.271 158 L C -0.687 176.306 176.870 0.205 0.000 1.107 158 L CA -0.690 54.310 54.840 0.267 0.000 0.806 158 L CB 0.520 42.659 42.059 0.133 0.000 1.146 158 L HN -0.025 nan 8.230 nan 0.000 0.447 159 W N 1.094 122.503 121.300 0.182 0.000 2.761 159 W HA 0.714 5.374 4.660 0.000 0.000 0.340 159 W C -0.402 176.239 176.519 0.204 0.000 1.072 159 W CA -0.306 57.150 57.345 0.185 0.000 1.215 159 W CB 1.966 31.521 29.460 0.158 0.000 1.420 159 W HN 0.436 nan 8.180 nan 0.000 0.519 160 A N 1.389 124.432 122.820 0.372 0.000 2.454 160 A HA 0.829 5.149 4.320 -0.000 0.000 0.302 160 A C -1.632 176.182 177.584 0.383 0.000 1.079 160 A CA -0.774 51.464 52.037 0.335 0.000 0.731 160 A CB 1.217 20.389 19.000 0.285 0.000 1.299 160 A HN 0.365 nan 8.150 nan 0.000 0.413 161 V N 3.049 123.130 119.914 0.279 0.000 2.407 161 V HA 0.325 4.445 4.120 -0.000 0.000 0.278 161 V C -0.128 176.120 176.094 0.256 0.000 1.037 161 V CA -0.220 62.231 62.300 0.252 0.000 0.900 161 V CB 0.652 32.571 31.823 0.160 0.000 0.983 161 V HN 0.869 nan 8.190 nan 0.000 0.459 162 H N 2.470 121.592 119.070 0.087 0.000 2.492 162 H HA 0.685 5.241 4.556 -0.000 0.000 0.345 162 H C -0.247 175.173 175.328 0.152 0.000 1.136 162 H CA -0.349 55.789 56.048 0.150 0.000 1.202 162 H CB 2.245 32.089 29.762 0.135 0.000 1.524 162 H HN 0.656 nan 8.280 nan 0.000 0.506 163 S N 1.950 117.835 115.700 0.308 0.000 2.607 163 S HA 0.238 4.708 4.470 -0.000 0.000 0.273 163 S C -1.029 173.618 174.600 0.078 0.000 1.148 163 S CA -1.008 57.286 58.200 0.156 0.000 0.833 163 S CB 1.438 64.691 63.200 0.087 0.000 1.130 163 S HN 0.851 nan 8.310 nan 0.000 0.470 193 E N 1.477 121.727 120.200 0.083 0.000 2.272 193 E HA 0.685 5.035 4.350 -0.000 0.000 0.269 193 E C -1.207 175.442 176.600 0.082 0.000 0.877 193 E CA -0.694 55.761 56.400 0.093 0.000 0.755 193 E CB 2.763 32.505 29.700 0.070 0.000 1.192 193 E HN 0.606 nan 8.360 nan 0.000 0.422 194 T N 1.914 116.504 114.554 0.061 0.000 2.912 194 T HA 0.244 4.594 4.350 -0.000 0.000 0.299 194 T C -0.972 173.701 174.700 -0.045 0.000 1.052 194 T CA -0.802 61.277 62.100 -0.036 0.000 0.996 194 T CB 1.472 70.230 68.868 -0.184 0.000 1.070 194 T HN 0.314 nan 8.240 nan 0.000 0.465 195 E N 2.575 122.814 120.200 0.064 0.000 2.146 195 E HA 0.363 4.713 4.350 -0.000 0.000 0.282 195 E C -0.692 176.107 176.600 0.332 0.000 0.989 195 E CA -0.785 55.773 56.400 0.262 0.000 0.799 195 E CB 0.783 30.710 29.700 0.379 0.000 1.088 195 E HN 0.449 nan 8.360 nan 0.000 0.397 196 H N 2.390 121.582 119.070 0.204 0.000 2.622 196 H HA 0.340 4.896 4.556 0.000 0.000 0.363 196 H C -2.288 172.721 175.328 -0.531 0.000 1.151 196 H CA -2.609 53.362 56.048 -0.128 0.000 1.184 196 H CB 1.359 31.003 29.762 -0.198 0.000 1.643 196 H HN 0.362 nan 8.280 nan 0.000 0.531 197 P HA -0.013 nan 4.420 nan 0.000 0.272 197 P C 0.866 177.924 177.300 -0.402 0.000 1.223 197 P CA -0.152 62.215 63.100 -1.221 0.000 0.784 197 P CB 1.426 32.513 31.700 -1.022 0.000 0.923 198 V N 1.866 121.627 119.914 -0.255 0.000 2.759 198 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 198 V C 1.109 177.173 176.094 -0.051 0.000 1.080 198 V CA 1.380 63.656 62.300 -0.040 0.000 1.101 198 V CB -0.101 31.738 31.823 0.025 0.000 0.698 198 V HN 0.326 nan 8.190 nan 0.000 0.477 199 V N 0.935 120.773 119.914 -0.126 0.000 2.378 199 V HA 0.412 4.532 4.120 -0.000 0.000 0.288 199 V C 0.016 175.996 176.094 -0.191 0.000 1.016 199 V CA -0.745 61.465 62.300 -0.149 0.000 0.840 199 V CB 1.657 33.386 31.823 -0.158 0.000 0.994 199 V HN 0.328 nan 8.190 nan 0.000 0.431 200 R N 3.647 124.047 120.500 -0.166 0.000 2.312 200 R HA 0.663 5.003 4.340 -0.000 0.000 0.311 200 R C -1.152 175.063 176.300 -0.141 0.000 1.004 200 R CA -0.446 55.565 56.100 -0.149 0.000 0.902 200 R CB 1.649 31.887 30.300 -0.102 0.000 1.073 200 R HN 0.527 nan 8.270 nan 0.000 0.457 201 V N 5.061 124.902 119.914 -0.121 0.000 2.406 201 V HA 0.098 4.218 4.120 -0.000 0.000 0.272 201 V C 0.440 176.509 176.094 -0.041 0.000 1.043 201 V CA -0.554 61.694 62.300 -0.086 0.000 0.915 201 V CB 0.843 32.623 31.823 -0.071 0.000 0.988 201 V HN 0.717 nan 8.190 nan 0.000 0.466 202 H N 8.951 127.960 119.070 -0.103 0.000 2.803 202 H HA 0.143 4.699 4.556 0.000 0.000 0.330 202 H C -1.624 173.657 175.328 -0.078 0.000 1.057 202 H CA -1.452 54.545 56.048 -0.085 0.000 1.458 202 H CB 2.062 31.783 29.762 -0.069 0.000 1.470 202 H HN 0.403 nan 8.280 nan 0.000 0.560 203 P HA -0.066 nan 4.420 nan 0.000 0.233 203 P C 1.109 178.382 177.300 -0.045 0.000 1.167 203 P CA 0.524 63.536 63.100 -0.147 0.000 0.770 203 P CB 0.689 32.256 31.700 -0.223 0.000 0.837 204 I N -0.031 120.604 120.570 0.107 0.000 2.947 204 I HA -0.023 4.147 4.170 -0.000 0.000 0.263 204 I C 2.236 178.438 176.117 0.142 0.000 1.130 204 I CA 1.310 62.698 61.300 0.145 0.000 1.448 204 I CB -1.549 36.566 38.000 0.191 0.000 1.222 204 I HN 0.028 nan 8.210 nan 0.000 0.453 205 S N 0.252 116.083 115.700 0.217 0.000 2.503 205 S HA 0.227 4.697 4.470 -0.000 0.000 0.217 205 S C 1.789 176.389 174.600 0.001 0.000 0.999 205 S CA 0.601 58.797 58.200 -0.006 0.000 0.914 205 S CB 0.366 63.444 63.200 -0.203 0.000 0.782 205 S HN 0.556 nan 8.310 nan 0.000 0.520 206 G N 1.097 109.929 108.800 0.053 0.000 2.184 206 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 206 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 206 G C -0.159 174.731 174.900 -0.017 0.000 0.975 206 G CA 0.344 45.451 45.100 0.012 0.000 0.642 206 G HN 0.611 nan 8.290 nan 0.000 0.536 207 E N 0.652 120.830 120.200 -0.037 0.000 2.373 207 E HA 0.374 4.724 4.350 -0.000 0.000 0.267 207 E C 0.791 177.335 176.600 -0.094 0.000 1.032 207 E CA -0.321 56.035 56.400 -0.073 0.000 0.889 207 E CB 0.478 30.111 29.700 -0.113 0.000 0.984 207 E HN 0.381 nan 8.360 nan 0.000 0.425 208 R N 1.133 121.518 120.500 -0.192 0.000 2.441 208 R HA 0.510 4.850 4.340 -0.000 0.000 0.284 208 R C -0.671 175.414 176.300 -0.358 0.000 1.070 208 R CA -0.281 55.576 56.100 -0.404 0.000 1.047 208 R CB 1.207 30.969 30.300 -0.896 0.000 1.016 208 R HN 0.437 nan 8.270 nan 0.000 0.477 209 A N 3.358 126.011 122.820 -0.279 0.000 2.486 209 A HA 0.409 4.729 4.320 -0.000 0.000 0.300 209 A C -0.730 176.815 177.584 -0.065 0.000 1.048 209 A CA -0.809 51.169 52.037 -0.099 0.000 0.696 209 A CB 1.105 20.108 19.000 0.006 0.000 1.278 209 A HN 0.606 nan 8.150 nan 0.000 0.405 210 L N 1.460 122.700 121.223 0.027 0.000 2.455 210 L HA 0.246 4.586 4.340 -0.000 0.000 0.272 210 L C 0.025 176.926 176.870 0.052 0.000 1.174 210 L CA -0.077 54.791 54.840 0.047 0.000 0.869 210 L CB 0.617 42.709 42.059 0.055 0.000 1.130 210 L HN 0.680 nan 8.230 nan 0.000 0.474 211 Q N 4.117 123.959 119.800 0.071 0.000 2.506 211 Q HA 0.575 4.915 4.340 -0.000 0.000 0.242 211 Q C -0.706 175.437 176.000 0.239 0.000 1.060 211 Q CA 0.146 56.031 55.803 0.136 0.000 0.826 211 Q CB 1.108 29.907 28.738 0.102 0.000 1.169 211 Q HN 0.526 nan 8.270 nan 0.000 0.521 212 L N -0.565 120.781 121.223 0.205 0.000 3.136 212 L HA 0.893 5.233 4.340 -0.000 0.000 0.225 212 L C 0.459 177.459 176.870 0.217 0.000 2.010 212 L CA -0.650 54.319 54.840 0.215 0.000 2.244 212 L CB 0.237 42.326 42.059 0.050 0.000 2.217 212 L HN 0.646 nan 8.230 nan 0.000 0.579 213 G N -0.569 108.359 108.800 0.213 0.000 2.685 213 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.387 213 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.387 213 G C 0.196 175.210 174.900 0.192 0.000 1.324 213 G CA 0.222 45.428 45.100 0.177 0.000 0.878 213 G HN 0.996 nan 8.290 nan 0.000 0.527 214 H N -1.156 117.949 119.070 0.058 0.000 2.546 214 H HA 0.122 4.678 4.556 0.000 0.000 0.277 214 H C 1.901 177.114 175.328 -0.192 0.000 1.004 214 H CA 1.262 57.254 56.048 -0.094 0.000 1.231 214 H CB -0.054 29.591 29.762 -0.195 0.000 1.382 214 H HN 0.317 nan 8.280 nan 0.000 0.580 215 F N 1.899 121.991 119.950 0.237 0.000 2.748 215 F HA 0.082 4.609 4.527 -0.000 0.000 0.299 215 F C 0.944 176.725 175.800 -0.032 0.000 1.154 215 F CA -0.215 57.921 58.000 0.226 0.000 1.446 215 F CB -0.052 39.173 39.000 0.375 0.000 1.112 215 F HN -0.061 nan 8.300 nan 0.000 0.584 216 V N 1.050 120.905 119.914 -0.098 0.000 2.479 216 V HA 0.217 4.337 4.120 -0.000 0.000 0.281 216 V C 1.088 177.062 176.094 -0.200 0.000 1.031 216 V CA 0.543 62.664 62.300 -0.297 0.000 1.038 216 V CB 0.469 32.128 31.823 -0.272 0.000 0.981 216 V HN 0.336 nan 8.190 nan 0.000 0.478 217 K N 5.497 125.838 120.400 -0.098 0.000 2.242 217 K HA 0.271 4.591 4.320 -0.000 0.000 0.200 217 K C 0.845 177.395 176.600 -0.084 0.000 1.050 217 K CA 1.111 57.355 56.287 -0.071 0.000 0.981 217 K CB 0.254 32.758 32.500 0.007 0.000 0.795 217 K HN 0.880 nan 8.250 nan 0.000 0.477 218 R N -1.271 119.206 120.500 -0.039 0.000 2.765 218 R HA 0.439 4.779 4.340 -0.000 0.000 0.277 218 R C -1.775 174.577 176.300 0.086 0.000 1.028 218 R CA -0.904 55.199 56.100 0.005 0.000 0.860 218 R CB 0.441 30.767 30.300 0.043 0.000 1.270 218 R HN -0.061 nan 8.270 nan 0.000 0.484 219 I N 1.835 122.482 120.570 0.128 0.000 2.325 219 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 219 I C 0.843 177.147 176.117 0.310 0.000 1.019 219 I CA -0.346 61.077 61.300 0.205 0.000 1.302 219 I CB 0.554 38.623 38.000 0.116 0.000 1.401 219 I HN 0.867 nan 8.210 nan 0.000 0.485 220 K N 3.924 124.522 120.400 0.330 0.000 2.412 220 K HA 0.460 4.780 4.320 -0.000 0.000 0.281 220 K C 1.140 177.927 176.600 0.313 0.000 1.027 220 K CA 0.195 56.652 56.287 0.284 0.000 0.989 220 K CB -0.189 32.470 32.500 0.266 0.000 0.935 220 K HN 1.180 nan 8.250 nan 0.000 0.475 221 G N 0.274 109.156 108.800 0.136 0.000 2.176 221 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.232 221 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.232 221 G C -0.229 174.451 174.900 -0.367 0.000 0.986 221 G CA 0.343 45.381 45.100 -0.103 0.000 0.643 221 G HN 0.824 nan 8.290 nan 0.000 0.522 222 Y N 1.102 121.446 120.300 0.073 0.000 2.524 222 Y HA 0.658 5.208 4.550 0.000 0.000 0.344 222 Y C 1.005 176.940 175.900 0.059 0.000 1.012 222 Y CA -0.472 57.670 58.100 0.070 0.000 1.068 222 Y CB 1.670 40.182 38.460 0.087 0.000 1.249 222 Y HN 0.398 nan 8.280 nan 0.000 0.468 223 S N 1.134 116.940 115.700 0.176 0.000 2.587 223 S HA 0.006 4.476 4.470 -0.000 0.000 0.260 223 S C 1.032 175.715 174.600 0.138 0.000 1.353 223 S CA -0.493 57.782 58.200 0.126 0.000 0.995 223 S CB 0.488 63.752 63.200 0.106 0.000 0.912 223 S HN 0.766 nan 8.310 nan 0.000 0.568 224 L N 1.865 123.141 121.223 0.088 0.000 1.989 224 L HA 0.025 4.365 4.340 -0.000 0.000 0.211 224 L C 2.669 179.574 176.870 0.059 0.000 1.071 224 L CA 2.522 57.398 54.840 0.061 0.000 0.749 224 L CB -1.615 40.463 42.059 0.031 0.000 0.890 224 L HN 0.941 nan 8.230 nan 0.000 0.431 225 A N -0.647 122.218 122.820 0.075 0.000 1.892 225 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 225 A C 2.023 179.711 177.584 0.173 0.000 1.188 225 A CA 2.228 54.324 52.037 0.097 0.000 0.631 225 A CB -1.049 18.036 19.000 0.141 0.000 0.822 225 A HN 0.581 nan 8.150 nan 0.000 0.447 226 D N -0.938 119.582 120.400 0.200 0.000 2.117 226 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 226 D C 2.288 178.678 176.300 0.149 0.000 0.982 226 D CA 1.433 55.567 54.000 0.224 0.000 0.828 226 D CB -0.462 40.505 40.800 0.278 0.000 0.967 226 D HN 0.374 nan 8.370 nan 0.000 0.464 227 S N -0.010 115.773 115.700 0.138 0.000 2.365 227 S HA -0.250 4.220 4.470 -0.000 0.000 0.225 227 S C 1.874 176.515 174.600 0.069 0.000 1.039 227 S CA 1.498 59.750 58.200 0.088 0.000 1.033 227 S CB -0.122 63.136 63.200 0.097 0.000 0.887 227 S HN 0.262 nan 8.310 nan 0.000 0.447 228 Q N -0.670 119.142 119.800 0.020 0.000 2.050 228 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 228 Q C 2.222 178.213 176.000 -0.014 0.000 0.980 228 Q CA 1.636 57.416 55.803 -0.039 0.000 0.840 228 Q CB -0.314 28.330 28.738 -0.156 0.000 0.898 228 Q HN 0.681 nan 8.270 nan 0.000 0.424 229 H N 0.283 119.398 119.070 0.075 0.000 2.353 229 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 229 H C 2.207 177.566 175.328 0.052 0.000 1.090 229 H CA 1.129 57.212 56.048 0.058 0.000 1.327 229 H CB -0.082 29.703 29.762 0.039 0.000 1.383 229 H HN 0.219 nan 8.280 nan 0.000 0.508 230 L N -0.466 120.848 121.223 0.150 0.000 2.093 230 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 230 L C 2.522 179.447 176.870 0.092 0.000 1.085 230 L CA 0.800 55.678 54.840 0.063 0.000 0.755 230 L CB -0.458 41.565 42.059 -0.061 0.000 0.904 230 L HN 0.100 nan 8.230 nan 0.000 0.435 231 F N 0.944 120.886 119.950 -0.014 0.000 2.102 231 F HA -0.214 4.313 4.527 0.000 0.000 0.298 231 F C 2.482 178.279 175.800 -0.005 0.000 1.105 231 F CA 1.279 59.273 58.000 -0.011 0.000 1.239 231 F CB -0.233 38.758 39.000 -0.016 0.000 0.991 231 F HN -0.007 nan 8.300 nan 0.000 0.474 232 A N -0.018 122.900 122.820 0.164 0.000 1.892 232 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 232 A C 2.318 179.871 177.584 -0.051 0.000 1.188 232 A CA 2.224 54.288 52.037 0.044 0.000 0.631 232 A CB -1.460 17.591 19.000 0.085 0.000 0.822 232 A HN 0.298 nan 8.150 nan 0.000 0.447 233 V N -0.051 119.864 119.914 0.002 0.000 2.261 233 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 233 V C 2.599 178.705 176.094 0.020 0.000 1.047 233 V CA 2.152 64.462 62.300 0.017 0.000 1.015 233 V CB -0.728 31.128 31.823 0.056 0.000 0.642 233 V HN 0.576 nan 8.190 nan 0.000 0.446 234 L N -0.674 120.519 121.223 -0.049 0.000 2.044 234 L HA -0.166 4.174 4.340 -0.000 0.000 0.205 234 L C 2.614 179.379 176.870 -0.175 0.000 1.075 234 L CA 1.568 56.372 54.840 -0.061 0.000 0.747 234 L CB -0.618 41.390 42.059 -0.084 0.000 0.903 234 L HN 0.338 nan 8.230 nan 0.000 0.435 235 Q N 0.634 120.178 119.800 -0.426 0.000 2.170 235 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 235 Q C 2.058 177.845 176.000 -0.356 0.000 0.976 235 Q CA 1.827 57.314 55.803 -0.526 0.000 0.858 235 Q CB -0.454 27.678 28.738 -1.010 0.000 0.907 235 Q HN 0.396 nan 8.270 nan 0.000 0.433 236 G N -0.669 107.963 108.800 -0.280 0.000 2.432 236 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 236 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 236 G C 1.224 175.930 174.900 -0.324 0.000 1.135 236 G CA 0.823 45.759 45.100 -0.272 0.000 0.767 236 G HN 0.438 nan 8.290 nan 0.000 0.550 237 H N -0.068 118.893 119.070 -0.181 0.000 2.389 237 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 237 H C 2.825 178.044 175.328 -0.181 0.000 1.081 237 H CA 1.185 57.141 56.048 -0.153 0.000 1.345 237 H CB -0.142 29.547 29.762 -0.122 0.000 1.393 237 H HN 0.189 nan 8.280 nan 0.000 0.520 238 V N 0.963 120.800 119.914 -0.128 0.000 2.255 238 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 238 V C 2.541 178.402 176.094 -0.388 0.000 1.051 238 V CA 2.452 64.615 62.300 -0.229 0.000 1.018 238 V CB -0.763 30.890 31.823 -0.283 0.000 0.641 238 V HN 0.597 nan 8.190 nan 0.000 0.445 239 T N -2.224 112.018 114.554 -0.519 0.000 3.107 239 T HA 0.074 4.424 4.350 -0.000 0.000 0.249 239 T C 0.879 175.376 174.700 -0.338 0.000 1.096 239 T CA -0.268 61.420 62.100 -0.687 0.000 1.012 239 T CB -0.283 68.052 68.868 -0.888 0.000 0.977 239 T HN 0.356 nan 8.240 nan 0.000 0.527 240 R N 0.946 121.300 120.500 -0.243 0.000 2.585 240 R HA 0.169 4.509 4.340 -0.000 0.000 0.275 240 R C 1.200 177.443 176.300 -0.094 0.000 1.018 240 R CA -0.184 55.823 56.100 -0.155 0.000 1.072 240 R CB 0.161 30.377 30.300 -0.140 0.000 0.953 240 R HN 0.316 nan 8.270 nan 0.000 0.419 241 L N 3.354 124.545 121.223 -0.054 0.000 2.043 241 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 241 L C 1.805 178.680 176.870 0.008 0.000 1.075 241 L CA 1.577 56.412 54.840 -0.009 0.000 0.752 241 L CB -0.248 41.811 42.059 -0.000 0.000 0.891 241 L HN 0.722 nan 8.230 nan 0.000 0.432 242 E N -0.083 120.116 120.200 -0.002 0.000 2.267 242 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 242 E C 1.272 177.887 176.600 0.025 0.000 0.998 242 E CA 0.773 57.181 56.400 0.013 0.000 0.830 242 E CB -0.150 29.553 29.700 0.006 0.000 0.751 242 E HN 0.399 nan 8.360 nan 0.000 0.491 243 N N 0.220 118.927 118.700 0.011 0.000 2.268 243 N HA 0.014 4.754 4.740 -0.000 0.000 0.204 243 N C -0.386 175.160 175.510 0.060 0.000 1.124 243 N CA 0.396 53.459 53.050 0.023 0.000 0.838 243 N CB 0.576 39.057 38.487 -0.011 0.000 0.994 243 N HN 0.178 nan 8.380 nan 0.000 0.489 244 T N -3.225 111.383 114.554 0.091 0.000 2.916 244 T HA 0.632 4.982 4.350 -0.000 0.000 0.292 244 T C -0.509 174.313 174.700 0.203 0.000 1.055 244 T CA -0.847 61.362 62.100 0.182 0.000 1.009 244 T CB 2.475 71.472 68.868 0.215 0.000 1.118 244 T HN -0.208 nan 8.240 nan 0.000 0.497 245 V N 1.195 121.287 119.914 0.297 0.000 2.709 245 V HA 0.759 4.879 4.120 -0.000 0.000 0.308 245 V C -0.867 175.453 176.094 0.377 0.000 1.062 245 V CA -1.045 61.433 62.300 0.298 0.000 0.901 245 V CB 1.949 33.963 31.823 0.317 0.000 1.003 245 V HN 1.125 nan 8.190 nan 0.000 0.425 246 R N 6.230 126.884 120.500 0.256 0.000 2.445 246 R HA 0.441 4.781 4.340 -0.000 0.000 0.308 246 R C -1.563 174.839 176.300 0.169 0.000 0.961 246 R CA -0.640 55.587 56.100 0.212 0.000 0.862 246 R CB 1.317 31.671 30.300 0.090 0.000 1.144 246 R HN 0.816 nan 8.270 nan 0.000 0.447 247 W N 6.341 127.599 121.300 -0.069 0.000 2.532 247 W HA 0.376 5.036 4.660 -0.000 0.000 0.321 247 W C -1.145 175.158 176.519 -0.359 0.000 1.037 247 W CA -1.038 56.083 57.345 -0.373 0.000 1.220 247 W CB 1.521 30.629 29.460 -0.587 0.000 1.361 247 W HN 0.515 nan 8.180 nan 0.000 0.468 248 R N 5.166 125.149 120.500 -0.862 0.000 2.207 248 R HA 0.215 4.555 4.340 -0.000 0.000 0.334 248 R C -1.004 174.922 176.300 -0.623 0.000 1.013 248 R CA -0.388 55.388 56.100 -0.540 0.000 0.858 248 R CB 0.595 30.645 30.300 -0.418 0.000 1.094 248 R HN 0.424 nan 8.270 nan 0.000 0.457 249 W N 3.058 124.280 121.300 -0.130 0.000 2.261 249 W HA 0.226 4.886 4.660 0.000 0.000 0.323 249 W C 0.175 176.695 176.519 0.002 0.000 1.243 249 W CA -0.184 57.206 57.345 0.076 0.000 1.210 249 W CB 0.858 30.425 29.460 0.179 0.000 1.149 249 W HN 0.407 nan 8.180 nan 0.000 0.562 250 E N 1.458 121.869 120.200 0.351 0.000 2.256 250 E HA 0.569 4.919 4.350 -0.000 0.000 0.267 250 E C -0.569 176.177 176.600 0.243 0.000 0.892 250 E CA -1.177 55.346 56.400 0.206 0.000 0.775 250 E CB 1.744 31.509 29.700 0.109 0.000 1.207 250 E HN 0.477 nan 8.360 nan 0.000 0.420 251 A N 1.166 124.073 122.820 0.145 0.000 2.540 251 A HA 0.392 4.712 4.320 -0.000 0.000 0.239 251 A C 1.219 178.879 177.584 0.126 0.000 1.061 251 A CA 1.079 53.185 52.037 0.115 0.000 0.758 251 A CB -0.547 18.489 19.000 0.059 0.000 0.991 251 A HN 0.901 nan 8.150 nan 0.000 0.502 252 G N 1.870 110.745 108.800 0.126 0.000 2.213 252 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.236 252 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.236 252 G C -0.042 174.962 174.900 0.174 0.000 0.991 252 G CA 0.277 45.438 45.100 0.102 0.000 0.629 252 G HN 0.835 nan 8.290 nan 0.000 0.517 253 D N 0.274 120.869 120.400 0.326 0.000 2.399 253 D HA 0.496 5.136 4.640 -0.000 0.000 0.241 253 D C 0.342 176.933 176.300 0.484 0.000 1.133 253 D CA 0.309 54.589 54.000 0.467 0.000 0.890 253 D CB 1.792 43.066 40.800 0.790 0.000 1.201 253 D HN 0.234 nan 8.370 nan 0.000 0.432 254 V N 1.198 121.358 119.914 0.410 0.000 2.531 254 V HA 0.660 4.780 4.120 -0.000 0.000 0.301 254 V C -0.063 176.249 176.094 0.363 0.000 1.034 254 V CA -0.874 61.656 62.300 0.382 0.000 0.865 254 V CB 1.667 33.591 31.823 0.168 0.000 0.995 254 V HN 0.673 nan 8.190 nan 0.000 0.424 255 A N 5.942 129.021 122.820 0.431 0.000 2.337 255 A HA 0.960 5.280 4.320 -0.000 0.000 0.329 255 A C -0.855 176.849 177.584 0.200 0.000 1.146 255 A CA -0.568 51.551 52.037 0.136 0.000 0.800 255 A CB 0.960 20.091 19.000 0.218 0.000 1.220 255 A HN 0.767 nan 8.150 nan 0.000 0.472 256 I N 1.430 121.993 120.570 -0.012 0.000 2.498 256 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 256 I C -0.957 175.142 176.117 -0.030 0.000 1.032 256 I CA -0.320 60.985 61.300 0.009 0.000 1.073 256 I CB 1.715 39.754 38.000 0.065 0.000 1.251 256 I HN 0.930 nan 8.210 nan 0.000 0.426 257 W N 4.538 125.758 121.300 -0.135 0.000 2.844 257 W HA 0.578 5.238 4.660 -0.000 0.000 0.340 257 W C -0.977 175.548 176.519 0.009 0.000 1.093 257 W CA -0.924 56.337 57.345 -0.139 0.000 1.212 257 W CB 0.628 30.052 29.460 -0.060 0.000 1.422 257 W HN 0.284 nan 8.180 nan 0.000 0.515 258 D N 2.308 122.850 120.400 0.236 0.000 2.393 258 D HA 0.017 4.657 4.640 -0.000 0.000 0.232 258 D C 0.626 177.133 176.300 0.345 0.000 1.192 258 D CA 0.138 54.260 54.000 0.203 0.000 0.882 258 D CB 0.475 41.379 40.800 0.173 0.000 1.038 258 D HN 0.624 nan 8.370 nan 0.000 0.499 259 N N 2.940 121.836 118.700 0.327 0.000 2.519 259 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 259 N C 1.301 177.041 175.510 0.384 0.000 1.062 259 N CA 0.774 54.082 53.050 0.430 0.000 0.910 259 N CB 0.205 38.913 38.487 0.370 0.000 0.958 259 N HN 0.346 nan 8.380 nan 0.000 0.445 260 R N -1.104 119.575 120.500 0.298 0.000 2.240 260 R HA 0.188 4.528 4.340 -0.000 0.000 0.203 260 R C 0.572 177.026 176.300 0.256 0.000 1.011 260 R CA 0.984 57.241 56.100 0.261 0.000 1.007 260 R CB 0.326 30.687 30.300 0.101 0.000 0.911 260 R HN 0.126 nan 8.270 nan 0.000 0.468 261 A N 0.829 123.803 122.820 0.256 0.000 2.605 261 A HA 0.165 4.485 4.320 -0.000 0.000 0.292 261 A C 0.015 177.708 177.584 0.181 0.000 1.055 261 A CA -0.321 51.824 52.037 0.181 0.000 0.969 261 A CB 0.454 19.528 19.000 0.123 0.000 1.236 261 A HN 0.189 nan 8.150 nan 0.000 0.534 262 T N -3.125 111.576 114.554 0.245 0.000 2.883 262 T HA 0.726 5.076 4.350 -0.000 0.000 0.296 262 T C -0.803 174.046 174.700 0.247 0.000 1.117 262 T CA -0.634 61.635 62.100 0.280 0.000 1.006 262 T CB 1.683 70.806 68.868 0.426 0.000 1.191 262 T HN 0.208 nan 8.240 nan 0.000 0.508 263 Q N 0.354 120.295 119.800 0.235 0.000 2.416 263 Q HA 0.556 4.896 4.340 -0.000 0.000 0.279 263 Q C -0.864 175.281 176.000 0.242 0.000 1.101 263 Q CA -1.133 54.769 55.803 0.166 0.000 0.830 263 Q CB 2.119 30.970 28.738 0.189 0.000 1.402 263 Q HN 0.931 nan 8.270 nan 0.000 0.445 264 H N -1.121 117.909 119.070 -0.067 0.000 2.990 264 H HA 0.534 5.090 4.556 -0.000 0.000 0.343 264 H C -1.943 173.117 175.328 -0.448 0.000 1.270 264 H CA -0.744 55.046 56.048 -0.429 0.000 1.118 264 H CB 1.599 30.692 29.762 -1.116 0.000 1.861 264 H HN 0.732 nan 8.280 nan 0.000 0.544 265 Y N 0.724 120.591 120.300 -0.722 0.000 2.399 265 Y HA 0.548 5.098 4.550 0.000 0.000 0.327 265 Y C -1.652 173.983 175.900 -0.443 0.000 1.111 265 Y CA -0.433 57.230 58.100 -0.729 0.000 1.047 265 Y CB 1.790 39.320 38.460 -1.549 0.000 1.259 265 Y HN 1.020 nan 8.280 nan 0.000 0.434 266 A N 5.490 128.199 122.820 -0.185 0.000 2.260 266 A HA 0.642 4.962 4.320 -0.000 0.000 0.314 266 A C -1.120 176.488 177.584 0.040 0.000 1.257 266 A CA -0.636 51.389 52.037 -0.021 0.000 0.871 266 A CB 0.269 19.278 19.000 0.015 0.000 1.166 266 A HN 0.565 nan 8.150 nan 0.000 0.522 267 V N 3.069 123.105 119.914 0.203 0.000 2.479 267 V HA 0.050 4.170 4.120 -0.000 0.000 0.281 267 V C 0.356 176.588 176.094 0.230 0.000 1.031 267 V CA 0.134 62.588 62.300 0.256 0.000 1.038 267 V CB 0.924 32.868 31.823 0.202 0.000 0.981 267 V HN 0.876 nan 8.190 nan 0.000 0.478 268 D N 4.113 124.579 120.400 0.110 0.000 2.767 268 D HA 0.148 4.788 4.640 -0.000 0.000 0.241 268 D C 0.443 176.678 176.300 -0.108 0.000 1.187 268 D CA -0.427 53.540 54.000 -0.054 0.000 0.999 268 D CB 0.252 40.971 40.800 -0.136 0.000 1.042 268 D HN 0.731 nan 8.370 nan 0.000 0.510 269 D N -0.029 120.375 120.400 0.006 0.000 2.535 269 D HA -0.039 4.601 4.640 -0.000 0.000 0.229 269 D C 0.613 176.947 176.300 0.057 0.000 1.238 269 D CA -0.300 53.713 54.000 0.022 0.000 0.824 269 D CB -0.973 39.876 40.800 0.082 0.000 1.045 269 D HN 0.502 nan 8.370 nan 0.000 0.500 270 Y N -1.682 118.627 120.300 0.016 0.000 2.481 270 Y HA 0.548 5.098 4.550 0.000 0.000 0.247 270 Y C 1.377 177.281 175.900 0.007 0.000 1.151 270 Y CA -0.552 57.556 58.100 0.014 0.000 1.238 270 Y CB 0.199 38.671 38.460 0.021 0.000 1.179 270 Y HN 0.043 nan 8.280 nan 0.000 0.524 271 G N 1.861 110.529 108.800 -0.220 0.000 2.583 271 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.292 271 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.292 271 G C 0.957 175.813 174.900 -0.074 0.000 1.203 271 G CA 1.447 46.471 45.100 -0.125 0.000 0.987 271 G HN 0.919 nan 8.290 nan 0.000 0.554 272 T N -0.975 113.587 114.554 0.013 0.000 3.122 272 T HA 0.411 4.761 4.350 -0.000 0.000 0.250 272 T C 0.898 175.662 174.700 0.107 0.000 1.067 272 T CA 1.070 63.198 62.100 0.046 0.000 0.966 272 T CB 0.114 68.996 68.868 0.022 0.000 1.002 272 T HN 0.705 nan 8.240 nan 0.000 0.542 273 Q N 2.860 122.760 119.800 0.166 0.000 2.300 273 Q HA 0.217 4.557 4.340 -0.000 0.000 0.280 273 Q C -2.452 173.646 176.000 0.163 0.000 1.033 273 Q CA -1.579 54.314 55.803 0.150 0.000 0.903 273 Q CB 0.204 29.034 28.738 0.152 0.000 1.195 273 Q HN 0.279 nan 8.270 nan 0.000 0.386 274 P HA 0.052 nan 4.420 nan 0.000 0.268 274 P C -1.006 176.273 177.300 -0.035 0.000 1.205 274 P CA 0.075 63.200 63.100 0.043 0.000 0.771 274 P CB 0.590 32.303 31.700 0.022 0.000 0.858 275 R N 3.255 123.714 120.500 -0.068 0.000 2.510 275 R HA 0.561 4.901 4.340 -0.000 0.000 0.294 275 R C -1.550 174.675 176.300 -0.124 0.000 1.056 275 R CA -0.465 55.520 56.100 -0.191 0.000 0.918 275 R CB 0.832 30.847 30.300 -0.476 0.000 1.187 275 R HN 0.440 nan 8.270 nan 0.000 0.437 276 I N 5.723 126.217 120.570 -0.126 0.000 2.499 276 I HA 0.389 4.559 4.170 -0.000 0.000 0.288 276 I C -0.342 175.697 176.117 -0.130 0.000 1.048 276 I CA -1.133 60.112 61.300 -0.091 0.000 1.062 276 I CB 2.112 40.084 38.000 -0.046 0.000 1.238 276 I HN 0.380 nan 8.210 nan 0.000 0.426 277 V N 2.880 122.720 119.914 -0.123 0.000 3.001 277 V HA 0.695 4.815 4.120 -0.000 0.000 0.314 277 V C -0.651 175.413 176.094 -0.051 0.000 1.099 277 V CA -0.893 61.319 62.300 -0.146 0.000 0.989 277 V CB 2.255 33.931 31.823 -0.244 0.000 1.040 277 V HN 0.727 nan 8.190 nan 0.000 0.434 278 R N 1.529 122.016 120.500 -0.023 0.000 2.480 278 R HA 0.661 5.001 4.340 -0.000 0.000 0.306 278 R C -0.788 175.543 176.300 0.052 0.000 0.958 278 R CA -0.681 55.432 56.100 0.023 0.000 0.861 278 R CB 2.542 32.859 30.300 0.028 0.000 1.171 278 R HN 0.863 nan 8.270 nan 0.000 0.445 279 R N 2.486 123.027 120.500 0.067 0.000 2.534 279 R HA 0.456 4.796 4.340 -0.000 0.000 0.301 279 R C -1.243 175.093 176.300 0.060 0.000 0.961 279 R CA -0.590 55.556 56.100 0.076 0.000 0.871 279 R CB 1.672 32.035 30.300 0.106 0.000 1.170 279 R HN 0.323 nan 8.270 nan 0.000 0.446 280 V N 3.303 123.234 119.914 0.029 0.000 2.417 280 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 280 V C -0.172 175.879 176.094 -0.071 0.000 1.024 280 V CA -0.617 61.686 62.300 0.004 0.000 0.861 280 V CB 1.791 33.615 31.823 0.001 0.000 0.985 280 V HN 0.797 nan 8.190 nan 0.000 0.436 281 T N 6.593 121.107 114.554 -0.066 0.000 2.767 281 T HA 0.605 4.955 4.350 -0.000 0.000 0.284 281 T C -0.207 174.413 174.700 -0.134 0.000 0.973 281 T CA -0.270 61.772 62.100 -0.096 0.000 0.996 281 T CB 0.720 69.576 68.868 -0.019 0.000 0.927 281 T HN 0.360 nan 8.240 nan 0.000 0.456 282 L N 2.574 123.700 121.223 -0.160 0.000 2.312 282 L HA 0.640 4.980 4.340 -0.000 0.000 0.281 282 L C 0.875 177.664 176.870 -0.135 0.000 1.070 282 L CA -1.166 53.571 54.840 -0.171 0.000 0.805 282 L CB 0.874 42.822 42.059 -0.186 0.000 1.174 282 L HN 0.643 nan 8.230 nan 0.000 0.434 283 A N 2.035 124.769 122.820 -0.143 0.000 2.462 283 A HA 0.588 4.908 4.320 -0.000 0.000 0.243 283 A C 0.435 177.941 177.584 -0.131 0.000 1.076 283 A CA 0.387 52.352 52.037 -0.119 0.000 0.773 283 A CB 0.339 19.268 19.000 -0.117 0.000 1.010 283 A HN 0.846 nan 8.150 nan 0.000 0.493 284 G N 0.685 109.399 108.800 -0.143 0.000 3.108 284 G HA2 0.608 4.568 3.960 -0.000 0.000 0.268 284 G HA3 0.608 4.568 3.960 -0.000 0.000 0.268 284 G C -0.919 173.847 174.900 -0.223 0.000 1.361 284 G CA -0.634 44.347 45.100 -0.198 0.000 1.047 284 G HN 0.701 nan 8.290 nan 0.000 0.540 285 E N -1.186 118.847 120.200 -0.279 0.000 2.239 285 E HA 0.510 4.860 4.350 -0.000 0.000 0.261 285 E C -0.345 176.076 176.600 -0.298 0.000 1.016 285 E CA -0.732 55.522 56.400 -0.244 0.000 0.882 285 E CB 1.768 31.335 29.700 -0.222 0.000 1.190 285 E HN 0.194 nan 8.360 nan 0.000 0.415 286 V N 3.064 122.855 119.914 -0.205 0.000 2.521 286 V HA 0.172 4.292 4.120 -0.000 0.000 0.286 286 V C -2.059 173.903 176.094 -0.221 0.000 1.034 286 V CA -1.347 60.845 62.300 -0.180 0.000 1.045 286 V CB 0.411 32.190 31.823 -0.074 0.000 0.974 286 V HN 0.562 nan 8.190 nan 0.000 0.480 287 P HA 0.227 nan 4.420 nan 0.000 0.271 287 P C -0.910 176.304 177.300 -0.143 0.000 1.218 287 P CA -0.098 62.836 63.100 -0.277 0.000 0.780 287 P CB 0.601 32.065 31.700 -0.393 0.000 0.901 288 V N 2.397 122.236 119.914 -0.125 0.000 2.495 288 V HA 0.589 4.709 4.120 -0.000 0.000 0.298 288 V C 0.968 177.013 176.094 -0.081 0.000 1.031 288 V CA -0.544 61.719 62.300 -0.061 0.000 0.871 288 V CB 1.294 33.087 31.823 -0.050 0.000 0.988 288 V HN 0.737 nan 8.190 nan 0.000 0.432 289 G N 2.286 111.058 108.800 -0.046 0.000 2.621 289 G HA2 0.361 4.321 3.960 -0.000 0.000 0.271 289 G HA3 0.361 4.321 3.960 -0.000 0.000 0.271 289 G C 1.043 175.936 174.900 -0.011 0.000 1.236 289 G CA -0.246 44.818 45.100 -0.060 0.000 0.958 289 G HN 0.502 nan 8.290 nan 0.000 0.512 290 V N 0.807 120.717 119.914 -0.008 0.000 2.407 290 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 290 V C 2.343 178.463 176.094 0.043 0.000 1.055 290 V CA 2.341 64.644 62.300 0.005 0.000 1.049 290 V CB -0.438 31.394 31.823 0.015 0.000 0.662 290 V HN 0.866 nan 8.190 nan 0.000 0.455 291 D N -0.525 119.926 120.400 0.084 0.000 2.340 291 D HA 0.170 4.810 4.640 -0.000 0.000 0.220 291 D C 1.541 177.892 176.300 0.085 0.000 1.039 291 D CA 0.869 54.924 54.000 0.091 0.000 0.866 291 D CB 0.241 41.116 40.800 0.125 0.000 0.913 291 D HN 0.446 nan 8.370 nan 0.000 0.523 292 G N -1.382 107.465 108.800 0.079 0.000 2.176 292 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 292 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 292 G C 0.512 175.473 174.900 0.101 0.000 0.979 292 G CA 0.475 45.615 45.100 0.066 0.000 0.641 292 G HN 0.881 nan 8.290 nan 0.000 0.530 293 Q N -0.444 119.463 119.800 0.178 0.000 2.394 293 Q HA 0.776 5.116 4.340 -0.000 0.000 0.248 293 Q C 0.111 176.285 176.000 0.291 0.000 0.992 293 Q CA 0.327 56.277 55.803 0.244 0.000 0.888 293 Q CB 0.883 29.829 28.738 0.347 0.000 1.257 293 Q HN 0.903 nan 8.270 nan 0.000 0.462 294 L N 0.749 122.132 121.223 0.267 0.000 2.331 294 L HA 0.469 4.809 4.340 -0.000 0.000 0.275 294 L C 0.479 177.573 176.870 0.373 0.000 1.022 294 L CA -0.121 54.851 54.840 0.220 0.000 0.812 294 L CB 2.321 44.447 42.059 0.112 0.000 1.257 294 L HN 0.829 nan 8.230 nan 0.000 0.435 295 S N 2.953 118.829 115.700 0.294 0.000 2.573 295 S HA 0.444 4.914 4.470 -0.000 0.000 0.277 295 S C -0.281 174.498 174.600 0.298 0.000 1.346 295 S CA -0.433 58.019 58.200 0.420 0.000 1.034 295 S CB 0.193 63.692 63.200 0.499 0.000 0.879 295 S HN 0.548 nan 8.310 nan 0.000 0.528 296 R N 0.385 121.052 120.500 0.278 0.000 2.564 296 R HA 0.396 4.736 4.340 -0.000 0.000 0.284 296 R C -1.375 174.993 176.300 0.113 0.000 1.031 296 R CA -0.643 55.550 56.100 0.155 0.000 0.904 296 R CB 0.224 30.589 30.300 0.109 0.000 1.199 296 R HN 0.442 nan 8.270 nan 0.000 0.443 297 T N 1.945 116.548 114.554 0.082 0.000 2.919 297 T HA 0.149 4.499 4.350 -0.000 0.000 0.302 297 T C 1.123 175.856 174.700 0.055 0.000 1.031 297 T CA 0.610 62.748 62.100 0.063 0.000 1.127 297 T CB 1.052 69.957 68.868 0.060 0.000 0.952 297 T HN 0.761 nan 8.240 nan 0.000 0.540 298 T N 0.146 114.732 114.554 0.053 0.000 2.966 298 T HA 0.327 4.677 4.350 -0.000 0.000 0.254 298 T C 0.671 175.393 174.700 0.038 0.000 0.961 298 T CA -0.418 61.708 62.100 0.044 0.000 0.915 298 T CB 0.623 69.521 68.868 0.049 0.000 1.186 298 T HN 0.401 nan 8.240 nan 0.000 0.505 299 R N 0.000 120.525 120.500 0.042 0.000 2.786 299 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 299 R CA 0.000 56.120 56.100 0.034 0.000 0.921 299 R CB 0.000 30.319 30.300 0.031 0.000 0.687 299 R HN 0.000 nan 8.270 nan 0.000 0.535