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 1vz5_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 4.885 125.092 120.200 0.012 0.000 2.145 14 E HA 0.646 4.996 4.350 -0.000 0.000 0.270 14 E C -0.242 176.365 176.600 0.012 0.000 0.906 14 E CA -0.510 55.895 56.400 0.008 0.000 0.761 14 E CB 2.022 31.721 29.700 -0.001 0.000 1.116 14 E HN 0.652 nan 8.360 nan 0.000 0.408 15 L N 1.363 122.595 121.223 0.016 0.000 2.468 15 L HA 0.374 4.714 4.340 -0.000 0.000 0.254 15 L C 0.695 177.562 176.870 -0.005 0.000 1.171 15 L CA -0.569 54.285 54.840 0.022 0.000 0.809 15 L CB 0.583 42.665 42.059 0.037 0.000 1.155 15 L HN 0.521 nan 8.230 nan 0.000 0.473 16 D N 1.215 121.622 120.400 0.011 0.000 2.453 16 D HA 0.247 4.887 4.640 -0.000 0.000 0.223 16 D C -0.889 175.384 176.300 -0.046 0.000 1.183 16 D CA -0.111 53.889 54.000 0.000 0.000 0.933 16 D CB 0.389 41.245 40.800 0.094 0.000 1.038 16 D HN 0.026 nan 8.370 nan 0.000 0.513 17 V N 5.103 124.896 119.914 -0.202 0.000 2.398 17 V HA 0.273 4.393 4.120 -0.000 0.000 0.286 17 V C 0.025 175.851 176.094 -0.446 0.000 1.026 17 V CA -0.713 61.451 62.300 -0.226 0.000 0.868 17 V CB 1.611 33.338 31.823 -0.160 0.000 0.982 17 V HN 0.483 nan 8.190 nan 0.000 0.443 18 H N 4.360 123.351 119.070 -0.132 0.000 2.786 18 H HA 0.314 4.870 4.556 -0.000 0.000 0.284 18 H C -2.600 172.651 175.328 -0.128 0.000 1.104 18 H CA -1.903 54.088 56.048 -0.094 0.000 1.339 18 H CB 1.746 31.479 29.762 -0.049 0.000 1.427 18 H HN 0.437 nan 8.280 nan 0.000 0.497 19 P HA -0.117 nan 4.420 nan 0.000 0.264 19 P C 0.904 178.206 177.300 0.003 0.000 1.179 19 P CA 0.252 63.277 63.100 -0.125 0.000 0.763 19 P CB 1.462 33.121 31.700 -0.068 0.000 0.806 20 V N 2.400 122.338 119.914 0.040 0.000 2.502 20 V HA 0.177 4.297 4.120 -0.000 0.000 0.234 20 V C 1.032 177.171 176.094 0.074 0.000 1.072 20 V CA 1.618 63.972 62.300 0.091 0.000 1.094 20 V CB -0.861 31.063 31.823 0.169 0.000 0.761 20 V HN 0.594 nan 8.190 nan 0.000 0.489 21 A N -0.150 122.727 122.820 0.095 0.000 2.263 21 A HA 0.638 4.958 4.320 -0.000 0.000 0.318 21 A C 1.419 179.045 177.584 0.070 0.000 1.111 21 A CA 0.279 52.364 52.037 0.080 0.000 0.901 21 A CB 0.504 19.565 19.000 0.102 0.000 1.280 21 A HN 0.407 nan 8.150 nan 0.000 0.503 22 G N -1.143 107.691 108.800 0.058 0.000 2.448 22 G HA2 0.004 3.964 3.960 -0.000 0.000 0.218 22 G HA3 0.004 3.964 3.960 -0.000 0.000 0.218 22 G C 1.094 176.031 174.900 0.061 0.000 1.135 22 G CA 0.550 45.680 45.100 0.051 0.000 0.784 22 G HN 0.659 nan 8.290 nan 0.000 0.543 23 R N -1.129 119.412 120.500 0.069 0.000 2.549 23 R HA 0.528 4.868 4.340 -0.000 0.000 0.344 23 R C -0.446 175.906 176.300 0.086 0.000 0.979 23 R CA -0.124 56.016 56.100 0.066 0.000 1.140 23 R CB 0.887 31.217 30.300 0.049 0.000 1.377 23 R HN 0.365 nan 8.270 nan 0.000 0.541 24 I N -1.180 119.457 120.570 0.113 0.000 2.800 24 I HA 0.457 4.627 4.170 -0.000 0.000 0.294 24 I C -1.697 174.502 176.117 0.136 0.000 1.538 24 I CA -0.144 61.232 61.300 0.127 0.000 1.010 24 I CB 2.142 40.220 38.000 0.130 0.000 1.381 24 I HN 0.211 nan 8.210 nan 0.000 0.462 25 G N 4.483 113.343 108.800 0.101 0.000 3.039 25 G HA2 0.511 4.471 3.960 -0.000 0.000 0.686 25 G HA3 0.511 4.471 3.960 -0.000 0.000 0.686 25 G C -1.054 173.840 174.900 -0.010 0.000 1.066 25 G CA -0.222 44.924 45.100 0.077 0.000 0.774 25 G HN 1.769 nan 8.290 nan 0.000 0.591 26 A N 1.736 124.483 122.820 -0.122 0.000 2.488 26 A HA 0.808 5.128 4.320 -0.000 0.000 0.295 26 A C -0.274 177.230 177.584 -0.132 0.000 1.045 26 A CA 0.080 51.972 52.037 -0.242 0.000 0.703 26 A CB 1.734 20.284 19.000 -0.749 0.000 1.271 26 A HN 1.148 nan 8.150 nan 0.000 0.400 27 E N 2.243 122.430 120.200 -0.021 0.000 2.249 27 E HA 0.542 4.892 4.350 -0.000 0.000 0.280 27 E C -1.062 175.451 176.600 -0.145 0.000 1.016 27 E CA -0.366 56.003 56.400 -0.051 0.000 0.830 27 E CB 0.693 30.456 29.700 0.103 0.000 1.081 27 E HN 0.568 nan 8.360 nan 0.000 0.395 28 I N 4.874 125.226 120.570 -0.363 0.000 2.339 28 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 28 I C 0.307 176.355 176.117 -0.115 0.000 0.994 28 I CA -0.587 60.539 61.300 -0.291 0.000 1.191 28 I CB 1.338 39.009 38.000 -0.547 0.000 1.343 28 I HN 0.374 nan 8.210 nan 0.000 0.458 29 R N 3.445 123.970 120.500 0.042 0.000 2.598 29 R HA 0.572 4.912 4.340 -0.000 0.000 0.279 29 R C 0.748 177.106 176.300 0.098 0.000 0.984 29 R CA -0.211 55.938 56.100 0.082 0.000 0.999 29 R CB 1.451 31.807 30.300 0.093 0.000 1.114 29 R HN 0.924 nan 8.270 nan 0.000 0.493 30 G N 0.311 109.168 108.800 0.096 0.000 2.132 30 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.234 30 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.234 30 G C -0.376 174.577 174.900 0.089 0.000 0.989 30 G CA -0.083 45.063 45.100 0.077 0.000 0.676 30 G HN 0.374 nan 8.290 nan 0.000 0.522 31 V N -0.046 119.951 119.914 0.138 0.000 2.483 31 V HA 0.820 4.940 4.120 -0.000 0.000 0.297 31 V C 0.380 176.536 176.094 0.102 0.000 1.027 31 V CA -0.320 62.061 62.300 0.135 0.000 0.855 31 V CB 1.481 33.450 31.823 0.242 0.000 0.995 31 V HN 0.783 nan 8.190 nan 0.000 0.424 32 K N 5.379 125.783 120.400 0.007 0.000 2.253 32 K HA 0.727 5.047 4.320 -0.000 0.000 0.277 32 K C -0.518 176.059 176.600 -0.039 0.000 1.053 32 K CA -0.388 55.877 56.287 -0.037 0.000 0.892 32 K CB 0.559 32.898 32.500 -0.267 0.000 1.102 32 K HN 0.711 nan 8.250 nan 0.000 0.469 33 L N 2.230 123.406 121.223 -0.078 0.000 2.439 33 L HA 0.501 4.841 4.340 -0.000 0.000 0.269 33 L C 0.872 177.650 176.870 -0.154 0.000 1.179 33 L CA 0.209 54.774 54.840 -0.459 0.000 0.828 33 L CB 1.194 42.664 42.059 -0.981 0.000 1.106 33 L HN 1.069 nan 8.230 nan 0.000 0.467 34 S N 1.056 116.690 115.700 -0.111 0.000 2.688 34 S HA 0.284 4.754 4.470 -0.000 0.000 0.269 34 S C -2.696 172.026 174.600 0.204 0.000 1.060 34 S CA -0.947 57.303 58.200 0.084 0.000 0.844 34 S CB 1.399 64.646 63.200 0.079 0.000 1.095 34 S HN 0.306 nan 8.310 nan 0.000 0.466 35 P HA 0.204 nan 4.420 nan 0.000 0.242 35 P C -0.203 177.148 177.300 0.085 0.000 1.197 35 P CA 0.723 63.896 63.100 0.122 0.000 0.765 35 P CB -0.146 31.602 31.700 0.080 0.000 0.936 36 D N -1.245 119.204 120.400 0.082 0.000 2.462 36 D HA 0.123 4.763 4.640 -0.000 0.000 0.221 36 D C 0.513 176.845 176.300 0.053 0.000 1.173 36 D CA -0.053 53.978 54.000 0.052 0.000 0.831 36 D CB 0.203 41.025 40.800 0.036 0.000 1.001 36 D HN 0.200 nan 8.370 nan 0.000 0.499 37 L N 2.087 123.359 121.223 0.083 0.000 2.456 37 L HA 0.036 4.376 4.340 -0.000 0.000 0.272 37 L C 0.881 177.783 176.870 0.053 0.000 1.189 37 L CA -0.249 54.638 54.840 0.078 0.000 0.846 37 L CB 0.412 42.554 42.059 0.138 0.000 1.111 37 L HN 0.020 nan 8.230 nan 0.000 0.475 38 D N 1.864 122.289 120.400 0.041 0.000 2.377 38 D HA 0.175 4.815 4.640 -0.000 0.000 0.245 38 D C 0.782 177.098 176.300 0.026 0.000 1.196 38 D CA -0.109 53.907 54.000 0.028 0.000 0.962 38 D CB 1.122 41.935 40.800 0.022 0.000 1.127 38 D HN 0.504 nan 8.370 nan 0.000 0.471 39 A N 0.841 123.669 122.820 0.014 0.000 1.972 39 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 39 A C 2.159 179.751 177.584 0.013 0.000 1.169 39 A CA 2.108 54.149 52.037 0.007 0.000 0.635 39 A CB -1.202 17.797 19.000 -0.001 0.000 0.810 39 A HN 0.720 nan 8.150 nan 0.000 0.446 40 A N -1.148 121.682 122.820 0.017 0.000 1.930 40 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 40 A C 2.280 179.884 177.584 0.034 0.000 1.175 40 A CA 2.163 54.212 52.037 0.020 0.000 0.627 40 A CB -1.059 17.952 19.000 0.018 0.000 0.815 40 A HN 0.411 nan 8.150 nan 0.000 0.443 41 T N -0.403 114.178 114.554 0.045 0.000 2.777 41 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 41 T C 1.884 176.634 174.700 0.084 0.000 1.040 41 T CA 1.518 63.659 62.100 0.068 0.000 1.141 41 T CB -0.350 68.562 68.868 0.074 0.000 0.868 41 T HN 0.148 nan 8.240 nan 0.000 0.444 42 V N 1.571 121.525 119.914 0.067 0.000 2.407 42 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 42 V C 2.496 178.612 176.094 0.037 0.000 1.055 42 V CA 1.934 64.267 62.300 0.056 0.000 1.049 42 V CB -0.542 31.283 31.823 0.003 0.000 0.662 42 V HN 0.579 nan 8.190 nan 0.000 0.455 43 E N 0.384 120.599 120.200 0.025 0.000 2.072 43 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 43 E C 2.210 178.827 176.600 0.027 0.000 0.982 43 E CA 1.170 57.578 56.400 0.014 0.000 0.803 43 E CB -0.201 29.503 29.700 0.006 0.000 0.755 43 E HN 0.544 nan 8.360 nan 0.000 0.453 44 A N 1.102 123.947 122.820 0.041 0.000 1.969 44 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 44 A C 2.123 179.750 177.584 0.071 0.000 1.169 44 A CA 0.972 53.037 52.037 0.047 0.000 0.635 44 A CB -0.509 18.521 19.000 0.049 0.000 0.810 44 A HN 0.344 nan 8.150 nan 0.000 0.445 45 I N -0.662 119.972 120.570 0.107 0.000 2.315 45 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 45 I C 2.656 178.833 176.117 0.099 0.000 1.117 45 I CA 1.037 62.434 61.300 0.161 0.000 1.404 45 I CB -0.288 37.860 38.000 0.247 0.000 1.071 45 I HN 0.365 nan 8.210 nan 0.000 0.419 46 Q N 0.550 120.381 119.800 0.053 0.000 2.123 46 Q HA -0.110 4.230 4.340 -0.000 0.000 0.199 46 Q C 2.471 178.477 176.000 0.009 0.000 0.966 46 Q CA 1.634 57.448 55.803 0.020 0.000 0.845 46 Q CB -0.267 28.469 28.738 -0.003 0.000 0.907 46 Q HN 0.544 nan 8.270 nan 0.000 0.439 47 A N 1.154 123.979 122.820 0.007 0.000 1.902 47 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 47 A C 2.309 179.878 177.584 -0.025 0.000 1.181 47 A CA 1.811 53.838 52.037 -0.016 0.000 0.623 47 A CB -0.575 18.419 19.000 -0.011 0.000 0.818 47 A HN 0.358 nan 8.150 nan 0.000 0.443 48 A N -0.765 122.067 122.820 0.019 0.000 1.969 48 A HA 0.054 4.373 4.320 -0.000 0.000 0.218 48 A C 2.092 179.700 177.584 0.040 0.000 1.169 48 A CA 1.569 53.647 52.037 0.068 0.000 0.635 48 A CB -0.508 18.546 19.000 0.090 0.000 0.810 48 A HN 0.628 nan 8.150 nan 0.000 0.445 49 L N -0.122 121.108 121.223 0.012 0.000 2.056 49 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 49 L C 2.326 179.173 176.870 -0.039 0.000 1.078 49 L CA 1.758 56.590 54.840 -0.012 0.000 0.749 49 L CB -0.429 41.632 42.059 0.004 0.000 0.901 49 L HN 0.143 nan 8.230 nan 0.000 0.433 50 V N 0.147 120.024 119.914 -0.062 0.000 2.358 50 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 50 V C 3.184 179.166 176.094 -0.186 0.000 1.047 50 V CA 2.219 64.443 62.300 -0.128 0.000 1.035 50 V CB -1.242 30.489 31.823 -0.154 0.000 0.658 50 V HN 0.598 nan 8.190 nan 0.000 0.452 51 R N -0.853 119.513 120.500 -0.224 0.000 2.073 51 R HA -0.134 4.206 4.340 -0.000 0.000 0.229 51 R C 2.035 178.079 176.300 -0.427 0.000 1.120 51 R CA 1.831 57.711 56.100 -0.366 0.000 0.967 51 R CB -1.061 28.918 30.300 -0.534 0.000 0.862 51 R HN 0.735 nan 8.270 nan 0.000 0.436 52 H N -1.449 117.572 119.070 -0.082 0.000 2.648 52 H HA 0.259 4.815 4.556 -0.000 0.000 0.265 52 H C 0.563 175.833 175.328 -0.098 0.000 0.961 52 H CA 0.667 56.663 56.048 -0.086 0.000 1.185 52 H CB 1.118 30.813 29.762 -0.113 0.000 1.449 52 H HN 0.391 nan 8.280 nan 0.000 0.523 53 K N -0.606 119.784 120.400 -0.017 0.000 3.467 53 K HA -0.159 4.161 4.320 -0.000 0.000 0.375 53 K C 0.008 176.561 176.600 -0.078 0.000 0.589 53 K CA 1.222 57.504 56.287 -0.009 0.000 1.651 53 K CB -0.971 31.551 32.500 0.038 0.000 1.135 53 K HN 0.187 nan 8.250 nan 0.000 0.459 54 V N 1.205 120.971 119.914 -0.247 0.000 2.760 54 V HA 0.749 4.869 4.120 -0.000 0.000 0.309 54 V C -1.351 174.231 176.094 -0.853 0.000 1.077 54 V CA -0.488 61.434 62.300 -0.629 0.000 0.910 54 V CB 1.615 32.721 31.823 -1.195 0.000 1.008 54 V HN 0.295 nan 8.190 nan 0.000 0.424 55 I N 2.539 122.534 120.570 -0.959 0.000 2.828 55 I HA 0.742 4.912 4.170 -0.000 0.000 0.302 55 I C -1.706 173.709 176.117 -1.171 0.000 1.101 55 I CA -0.717 60.030 61.300 -0.921 0.000 1.031 55 I CB 2.410 40.139 38.000 -0.451 0.000 1.231 55 I HN 0.477 nan 8.210 nan 0.000 0.427 56 F N 3.399 122.926 119.950 -0.704 0.000 2.551 56 F HA 0.663 5.190 4.527 -0.000 0.000 0.316 56 F C -0.903 174.470 175.800 -0.712 0.000 1.089 56 F CA -0.635 56.916 58.000 -0.748 0.000 0.915 56 F CB 2.027 40.272 39.000 -1.258 0.000 1.186 56 F HN 0.246 nan 8.300 nan 0.000 0.456 57 F N 2.721 122.660 119.950 -0.018 0.000 2.499 57 F HA 0.559 5.086 4.527 -0.000 0.000 0.333 57 F C 0.070 175.937 175.800 0.113 0.000 1.138 57 F CA -0.906 57.115 58.000 0.035 0.000 0.945 57 F CB 1.371 40.358 39.000 -0.021 0.000 1.181 57 F HN 0.203 nan 8.300 nan 0.000 0.435 58 R N 1.120 121.784 120.500 0.274 0.000 2.486 58 R HA 0.591 4.931 4.340 -0.000 0.000 0.286 58 R C 0.657 177.088 176.300 0.217 0.000 0.999 58 R CA -0.176 56.085 56.100 0.269 0.000 0.993 58 R CB 1.400 31.841 30.300 0.235 0.000 1.084 58 R HN 0.910 nan 8.270 nan 0.000 0.487 59 G N 1.910 110.827 108.800 0.194 0.000 2.171 59 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.238 59 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.238 59 G C -0.004 175.005 174.900 0.182 0.000 1.039 59 G CA -0.253 44.943 45.100 0.160 0.000 0.759 59 G HN 0.477 nan 8.290 nan 0.000 0.501 60 Q N -0.061 119.823 119.800 0.140 0.000 3.207 60 Q HA 0.439 4.779 4.340 -0.000 0.000 0.335 60 Q C 1.795 177.718 176.000 -0.129 0.000 1.374 60 Q CA 0.672 56.485 55.803 0.017 0.000 1.023 60 Q CB -0.067 28.619 28.738 -0.087 0.000 1.576 60 Q HN 0.753 nan 8.270 nan 0.000 0.515 61 T N -0.075 114.526 114.554 0.079 0.000 2.951 61 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 61 T C 1.448 176.155 174.700 0.011 0.000 1.073 61 T CA 1.217 63.346 62.100 0.049 0.000 1.134 61 T CB -0.375 68.551 68.868 0.096 0.000 0.884 61 T HN 0.487 nan 8.240 nan 0.000 0.479 62 H N -0.458 118.618 119.070 0.011 0.000 2.546 62 H HA 0.183 4.739 4.556 -0.000 0.000 0.277 62 H C 0.785 176.111 175.328 -0.003 0.000 1.004 62 H CA -0.022 56.028 56.048 0.003 0.000 1.231 62 H CB -0.421 29.338 29.762 -0.005 0.000 1.382 62 H HN 0.399 nan 8.280 nan 0.000 0.580 63 L N 3.038 123.916 121.223 -0.574 0.000 2.328 63 L HA 0.294 4.634 4.340 -0.000 0.000 0.280 63 L C 0.027 176.797 176.870 -0.167 0.000 1.111 63 L CA 0.295 54.882 54.840 -0.423 0.000 0.909 63 L CB -0.226 41.490 42.059 -0.571 0.000 1.277 63 L HN 0.385 nan 8.230 nan 0.000 0.433 64 D N 2.030 122.384 120.400 -0.076 0.000 2.440 64 D HA 0.390 5.030 4.640 -0.000 0.000 0.269 64 D C 1.066 177.356 176.300 -0.016 0.000 1.249 64 D CA 0.389 54.370 54.000 -0.031 0.000 1.055 64 D CB 0.047 40.845 40.800 -0.004 0.000 1.104 64 D HN 0.639 nan 8.370 nan 0.000 0.561 65 D N -1.984 118.415 120.400 -0.001 0.000 2.097 65 D HA 0.062 4.702 4.640 -0.000 0.000 0.195 65 D C 2.485 178.799 176.300 0.024 0.000 0.989 65 D CA 3.238 57.244 54.000 0.011 0.000 0.827 65 D CB -1.306 39.500 40.800 0.009 0.000 0.966 65 D HN 0.802 nan 8.370 nan 0.000 0.456 66 Q N -0.578 119.235 119.800 0.022 0.000 2.084 66 Q HA 0.101 4.441 4.340 -0.000 0.000 0.202 66 Q C 2.762 178.790 176.000 0.046 0.000 0.978 66 Q CA 2.765 58.587 55.803 0.031 0.000 0.844 66 Q CB -1.407 27.345 28.738 0.024 0.000 0.898 66 Q HN 0.912 nan 8.270 nan 0.000 0.426 67 S N 0.088 115.811 115.700 0.039 0.000 2.428 67 S HA -0.137 4.333 4.470 -0.000 0.000 0.230 67 S C 2.066 176.710 174.600 0.073 0.000 1.014 67 S CA 1.513 59.744 58.200 0.052 0.000 0.957 67 S CB -0.197 63.026 63.200 0.038 0.000 0.784 67 S HN 0.722 nan 8.310 nan 0.000 0.499 68 Q N 0.272 120.103 119.800 0.051 0.000 2.046 68 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 68 Q C 2.036 178.113 176.000 0.130 0.000 0.975 68 Q CA 1.492 57.345 55.803 0.083 0.000 0.836 68 Q CB -0.145 28.622 28.738 0.048 0.000 0.896 68 Q HN 0.793 nan 8.270 nan 0.000 0.428 69 E N -0.943 119.315 120.200 0.098 0.000 2.085 69 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 69 E C 1.775 178.426 176.600 0.085 0.000 0.994 69 E CA 1.289 57.753 56.400 0.107 0.000 0.801 69 E CB -0.309 29.469 29.700 0.130 0.000 0.743 69 E HN 0.531 nan 8.360 nan 0.000 0.453 70 G N -0.045 108.809 108.800 0.088 0.000 2.448 70 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 70 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 70 G C 1.292 176.229 174.900 0.062 0.000 1.135 70 G CA 0.463 45.602 45.100 0.065 0.000 0.784 70 G HN 0.372 nan 8.290 nan 0.000 0.543 71 F N 2.510 122.440 119.950 -0.033 0.000 2.186 71 F HA 0.152 4.679 4.527 -0.000 0.000 0.299 71 F C 2.585 178.339 175.800 -0.076 0.000 1.090 71 F CA 1.087 59.051 58.000 -0.061 0.000 1.307 71 F CB -0.236 38.710 39.000 -0.089 0.000 1.019 71 F HN 0.193 nan 8.300 nan 0.000 0.489 72 A N 0.560 123.225 122.820 -0.258 0.000 1.969 72 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 72 A C 2.254 179.618 177.584 -0.367 0.000 1.169 72 A CA 1.987 53.796 52.037 -0.380 0.000 0.635 72 A CB -1.298 17.612 19.000 -0.150 0.000 0.810 72 A HN 0.421 nan 8.150 nan 0.000 0.445 73 K N 0.035 120.290 120.400 -0.243 0.000 2.439 73 K HA 0.271 4.591 4.320 -0.000 0.000 0.197 73 K C 1.645 178.114 176.600 -0.218 0.000 1.041 73 K CA 1.156 57.327 56.287 -0.194 0.000 0.970 73 K CB -0.950 31.493 32.500 -0.095 0.000 0.773 73 K HN 0.547 nan 8.250 nan 0.000 0.479 74 L N -0.274 120.765 121.223 -0.307 0.000 2.291 74 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 74 L C 2.080 178.775 176.870 -0.292 0.000 1.120 74 L CA 0.772 55.444 54.840 -0.279 0.000 0.799 74 L CB -0.070 41.800 42.059 -0.315 0.000 0.925 74 L HN 0.299 nan 8.230 nan 0.000 0.446 75 L N -1.637 119.362 121.223 -0.373 0.000 2.556 75 L HA 0.348 4.688 4.340 -0.000 0.000 0.226 75 L C 0.945 177.686 176.870 -0.216 0.000 1.089 75 L CA 0.196 54.859 54.840 -0.295 0.000 0.864 75 L CB 0.250 42.102 42.059 -0.346 0.000 1.067 75 L HN 0.254 nan 8.230 nan 0.000 0.477 76 G N -0.604 108.065 108.800 -0.219 0.000 2.348 76 G HA2 0.421 4.381 3.960 -0.000 0.000 0.296 76 G HA3 0.421 4.381 3.960 -0.000 0.000 0.296 76 G C -1.732 173.049 174.900 -0.199 0.000 1.258 76 G CA -0.008 44.982 45.100 -0.184 0.000 0.868 76 G HN -0.133 nan 8.290 nan 0.000 0.488 77 E N 0.445 120.527 120.200 -0.196 0.000 2.109 77 E HA 0.752 5.102 4.350 -0.000 0.000 0.278 77 E C -2.732 173.679 176.600 -0.314 0.000 0.954 77 E CA -1.706 54.557 56.400 -0.228 0.000 0.779 77 E CB 1.053 30.654 29.700 -0.165 0.000 1.093 77 E HN 0.430 nan 8.360 nan 0.000 0.401 78 P HA 0.374 nan 4.420 nan 0.000 0.269 78 P C -0.046 176.924 177.300 -0.551 0.000 1.215 78 P CA 0.155 62.855 63.100 -0.668 0.000 0.780 78 P CB 1.172 32.037 31.700 -1.392 0.000 0.898 91 R N 1.351 121.731 120.500 -0.201 0.000 2.123 91 R HA 0.316 4.656 4.340 -0.000 0.000 0.209 91 R C 1.068 177.051 176.300 -0.528 0.000 1.078 91 R CA 1.153 56.975 56.100 -0.463 0.000 1.028 91 R CB -0.711 29.126 30.300 -0.771 0.000 0.939 91 R HN 0.762 nan 8.270 nan 0.000 0.463 92 Y N -1.150 119.150 120.300 -0.001 0.000 2.426 92 Y HA 0.392 4.942 4.550 -0.000 0.000 0.249 92 Y C 0.415 176.318 175.900 0.004 0.000 1.103 92 Y CA -1.384 56.715 58.100 -0.001 0.000 1.256 92 Y CB 0.282 38.735 38.460 -0.011 0.000 1.208 92 Y HN 0.151 nan 8.280 nan 0.000 0.519 93 L N 2.156 123.455 121.223 0.127 0.000 2.433 93 L HA 0.463 4.803 4.340 -0.000 0.000 0.275 93 L C -0.162 176.746 176.870 0.063 0.000 1.128 93 L CA 0.005 54.897 54.840 0.086 0.000 0.875 93 L CB -0.280 41.815 42.059 0.060 0.000 1.171 93 L HN 0.115 nan 8.230 nan 0.000 0.463 94 L N 5.066 126.330 121.223 0.068 0.000 2.309 94 L HA 0.640 4.980 4.340 -0.000 0.000 0.282 94 L C -0.044 176.855 176.870 0.049 0.000 1.036 94 L CA -0.716 54.160 54.840 0.060 0.000 0.806 94 L CB 1.178 43.282 42.059 0.076 0.000 1.220 94 L HN 0.773 nan 8.230 nan 0.000 0.429 95 Q N 2.353 122.176 119.800 0.038 0.000 2.278 95 Q HA 0.675 5.015 4.340 -0.000 0.000 0.257 95 Q C -1.695 174.325 176.000 0.032 0.000 0.928 95 Q CA -0.665 55.153 55.803 0.026 0.000 0.932 95 Q CB 1.398 30.146 28.738 0.016 0.000 1.221 95 Q HN 0.692 nan 8.270 nan 0.000 0.434 96 L N 3.301 124.540 121.223 0.027 0.000 2.313 96 L HA 0.561 4.901 4.340 -0.000 0.000 0.283 96 L C 0.183 177.060 176.870 0.012 0.000 1.013 96 L CA -0.134 54.726 54.840 0.034 0.000 0.816 96 L CB 0.690 42.783 42.059 0.057 0.000 1.236 96 L HN 0.834 nan 8.230 nan 0.000 0.419 105 N N 0.749 119.169 118.700 -0.467 0.000 3.298 105 N HA 0.394 5.134 4.740 -0.000 0.000 0.292 105 N C -0.439 174.407 175.510 -1.106 0.000 1.271 105 N CA 0.467 52.915 53.050 -1.003 0.000 1.184 105 N CB 0.644 38.813 38.487 -0.529 0.000 1.452 105 N HN 0.399 nan 8.380 nan 0.000 0.534 106 S N 0.238 115.392 115.700 -0.910 0.000 2.535 106 S HA 0.384 4.854 4.470 -0.000 0.000 0.272 106 S C -1.668 172.918 174.600 -0.024 0.000 1.149 106 S CA -0.896 57.149 58.200 -0.259 0.000 0.888 106 S CB 0.395 63.610 63.200 0.025 0.000 1.110 106 S HN 0.380 nan 8.310 nan 0.000 0.463 107 W N 5.656 127.066 121.300 0.184 0.000 2.266 107 W HA 0.475 5.135 4.660 -0.000 0.000 0.317 107 W C 0.897 177.314 176.519 -0.170 0.000 1.310 107 W CA 0.455 57.838 57.345 0.062 0.000 1.207 107 W CB 0.540 30.059 29.460 0.099 0.000 1.199 107 W HN 0.703 nan 8.180 nan 0.000 0.544 108 H N 0.247 119.195 119.070 -0.203 0.000 3.037 108 H HA 0.422 4.978 4.556 -0.000 0.000 0.336 108 H C -1.373 173.838 175.328 -0.195 0.000 1.323 108 H CA -1.043 54.727 56.048 -0.463 0.000 1.159 108 H CB 0.804 29.807 29.762 -1.266 0.000 1.882 108 H HN 0.095 nan 8.280 nan 0.000 0.535 109 T N 1.647 116.186 114.554 -0.024 0.000 2.929 109 T HA 0.178 4.528 4.350 -0.000 0.000 0.284 109 T C -0.330 174.487 174.700 0.195 0.000 1.014 109 T CA -0.637 61.484 62.100 0.035 0.000 1.051 109 T CB 0.909 69.752 68.868 -0.043 0.000 1.028 109 T HN 0.412 nan 8.240 nan 0.000 0.485 110 D N 2.035 122.593 120.400 0.263 0.000 2.351 110 D HA 0.202 4.842 4.640 -0.000 0.000 0.251 110 D C 0.802 177.147 176.300 0.076 0.000 1.137 110 D CA 0.062 54.295 54.000 0.388 0.000 0.879 110 D CB 0.785 41.846 40.800 0.435 0.000 1.181 110 D HN 0.465 nan 8.370 nan 0.000 0.448 111 V N 2.003 121.918 119.914 0.001 0.000 5.325 111 V HA -0.294 3.826 4.120 -0.000 0.000 0.291 111 V C 1.643 177.208 176.094 -0.880 0.000 0.541 111 V CA 1.562 63.420 62.300 -0.736 0.000 0.687 111 V CB -2.849 28.693 31.823 -0.468 0.000 0.491 111 V HN 0.803 nan 8.190 nan 0.000 1.145 112 T N -2.500 111.676 114.554 -0.630 0.000 3.160 112 T HA 0.078 4.428 4.350 -0.000 0.000 0.257 112 T C 1.000 175.582 174.700 -0.196 0.000 1.147 112 T CA 1.025 62.789 62.100 -0.559 0.000 1.064 112 T CB -0.476 68.029 68.868 -0.605 0.000 0.949 112 T HN 0.986 nan 8.240 nan 0.000 0.526 113 F N 2.049 121.919 119.950 -0.134 0.000 2.748 113 F HA 0.424 4.951 4.527 -0.000 0.000 0.299 113 F C 0.567 176.401 175.800 0.057 0.000 1.154 113 F CA -1.173 56.830 58.000 0.006 0.000 1.446 113 F CB -1.130 37.795 39.000 -0.124 0.000 1.112 113 F HN 0.165 nan 8.300 nan 0.000 0.584 114 V N -1.829 117.967 119.914 -0.195 0.000 3.093 114 V HA 0.411 4.531 4.120 -0.000 0.000 0.320 114 V C 1.059 177.239 176.094 0.143 0.000 1.093 114 V CA -0.787 61.514 62.300 0.002 0.000 1.016 114 V CB 1.754 33.528 31.823 -0.083 0.000 1.096 114 V HN 0.166 nan 8.190 nan 0.000 0.452 115 E N 1.540 121.787 120.200 0.078 0.000 2.033 115 E HA 0.163 4.513 4.350 -0.000 0.000 0.189 115 E C 1.124 177.755 176.600 0.053 0.000 0.979 115 E CA 1.123 57.563 56.400 0.067 0.000 0.802 115 E CB 0.068 29.770 29.700 0.005 0.000 0.763 115 E HN 0.972 nan 8.360 nan 0.000 0.449 116 A N 1.284 124.083 122.820 -0.035 0.000 3.079 116 A HA 0.256 4.576 4.320 -0.000 0.000 0.315 116 A C -0.582 176.897 177.584 -0.174 0.000 1.334 116 A CA -0.622 51.322 52.037 -0.155 0.000 1.048 116 A CB -0.683 18.247 19.000 -0.117 0.000 1.156 116 A HN 0.285 nan 8.150 nan 0.000 0.523 117 Y N -0.372 119.878 120.300 -0.083 0.000 2.281 117 Y HA 0.604 5.154 4.550 -0.000 0.000 0.337 117 Y C -2.645 173.196 175.900 -0.098 0.000 1.304 117 Y CA -3.462 54.562 58.100 -0.126 0.000 1.465 117 Y CB -0.805 37.547 38.460 -0.179 0.000 1.350 117 Y HN 0.245 nan 8.280 nan 0.000 0.575 118 P HA -0.003 nan 4.420 nan 0.000 0.265 118 P C -0.098 177.235 177.300 0.056 0.000 1.187 118 P CA 0.146 63.280 63.100 0.057 0.000 0.766 118 P CB 0.633 32.374 31.700 0.068 0.000 0.820 119 K N 2.103 122.468 120.400 -0.058 0.000 2.365 119 K HA 0.368 4.688 4.320 -0.000 0.000 0.197 119 K C 0.293 176.857 176.600 -0.059 0.000 1.042 119 K CA 0.242 56.489 56.287 -0.067 0.000 0.987 119 K CB 0.340 32.766 32.500 -0.124 0.000 0.779 119 K HN 0.391 nan 8.250 nan 0.000 0.484 120 A N 0.259 122.998 122.820 -0.136 0.000 2.597 120 A HA 0.555 4.875 4.320 -0.000 0.000 0.292 120 A C -1.428 175.887 177.584 -0.449 0.000 1.057 120 A CA -0.827 51.032 52.037 -0.298 0.000 0.674 120 A CB 1.756 20.613 19.000 -0.239 0.000 1.278 120 A HN 0.080 nan 8.150 nan 0.000 0.416 121 S N -0.097 115.080 115.700 -0.873 0.000 2.548 121 S HA 0.747 5.217 4.470 -0.000 0.000 0.286 121 S C -0.901 173.269 174.600 -0.717 0.000 1.098 121 S CA -0.376 57.326 58.200 -0.832 0.000 0.930 121 S CB 1.291 63.805 63.200 -1.145 0.000 1.070 121 S HN 0.565 nan 8.310 nan 0.000 0.480 122 I N 2.738 123.112 120.570 -0.326 0.000 2.362 122 I HA 0.486 4.656 4.170 -0.000 0.000 0.289 122 I C -1.244 174.886 176.117 0.023 0.000 0.994 122 I CA -0.594 60.655 61.300 -0.085 0.000 1.158 122 I CB 1.400 39.412 38.000 0.020 0.000 1.315 122 I HN 0.302 nan 8.210 nan 0.000 0.451 123 L N 7.469 128.803 121.223 0.186 0.000 2.409 123 L HA 0.571 4.911 4.340 -0.000 0.000 0.272 123 L C -0.719 176.307 176.870 0.259 0.000 0.980 123 L CA -0.319 54.678 54.840 0.262 0.000 0.826 123 L CB 1.735 44.114 42.059 0.533 0.000 1.268 123 L HN 0.583 nan 8.230 nan 0.000 0.407 124 R N 2.758 123.319 120.500 0.102 0.000 2.494 124 R HA 0.604 4.944 4.340 -0.000 0.000 0.305 124 R C -0.991 175.269 176.300 -0.066 0.000 0.959 124 R CA -0.404 55.747 56.100 0.085 0.000 0.864 124 R CB 1.799 32.125 30.300 0.043 0.000 1.159 124 R HN 0.702 nan 8.270 nan 0.000 0.446 125 S N 2.647 118.316 115.700 -0.051 0.000 2.474 125 S HA 0.172 4.642 4.470 -0.000 0.000 0.276 125 S C 0.658 175.237 174.600 -0.034 0.000 1.227 125 S CA -0.656 57.454 58.200 -0.150 0.000 1.050 125 S CB 1.120 64.344 63.200 0.040 0.000 0.939 125 S HN 0.494 nan 8.310 nan 0.000 0.490 126 V N 5.333 125.205 119.914 -0.071 0.000 2.690 126 V HA 0.242 4.362 4.120 -0.000 0.000 0.240 126 V C -0.016 176.063 176.094 -0.025 0.000 1.078 126 V CA 0.420 62.701 62.300 -0.032 0.000 1.102 126 V CB 0.498 32.302 31.823 -0.033 0.000 0.800 126 V HN 0.704 nan 8.190 nan 0.000 0.479 127 V N 0.771 120.654 119.914 -0.053 0.000 2.525 127 V HA 0.837 4.957 4.120 -0.000 0.000 0.299 127 V C -0.461 175.590 176.094 -0.073 0.000 1.034 127 V CA -0.548 61.728 62.300 -0.041 0.000 0.863 127 V CB 1.321 33.125 31.823 -0.033 0.000 0.999 127 V HN 0.292 nan 8.190 nan 0.000 0.423 128 A N 6.160 128.958 122.820 -0.037 0.000 2.304 128 A HA 0.912 5.232 4.320 -0.000 0.000 0.314 128 A C -2.685 174.880 177.584 -0.033 0.000 1.187 128 A CA -1.757 50.258 52.037 -0.036 0.000 0.810 128 A CB 0.921 19.956 19.000 0.058 0.000 1.183 128 A HN 0.664 nan 8.150 nan 0.000 0.487 129 P HA 0.101 nan 4.420 nan 0.000 0.263 129 P C 1.066 178.370 177.300 0.006 0.000 1.175 129 P CA 0.713 63.792 63.100 -0.034 0.000 0.761 129 P CB 0.843 32.499 31.700 -0.074 0.000 0.794 130 A N 2.689 125.520 122.820 0.018 0.000 1.978 130 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 130 A C 0.917 178.513 177.584 0.020 0.000 1.170 130 A CA 1.860 53.908 52.037 0.018 0.000 0.636 130 A CB -0.617 18.395 19.000 0.019 0.000 0.810 130 A HN 0.629 nan 8.150 nan 0.000 0.448 131 S N -3.121 112.601 115.700 0.036 0.000 2.540 131 S HA 0.630 5.100 4.470 -0.000 0.000 0.275 131 S C 0.005 174.651 174.600 0.077 0.000 1.123 131 S CA 0.134 58.358 58.200 0.040 0.000 0.907 131 S CB 1.250 64.470 63.200 0.035 0.000 1.081 131 S HN 2.186 nan 8.310 nan 0.000 0.476 132 G N 0.757 109.602 108.800 0.076 0.000 2.784 132 G HA2 0.370 4.330 3.960 -0.000 0.000 0.369 132 G HA3 0.370 4.330 3.960 -0.000 0.000 0.369 132 G C 0.729 175.696 174.900 0.112 0.000 1.362 132 G CA 0.414 45.595 45.100 0.134 0.000 0.858 132 G HN 2.636 nan 8.290 nan 0.000 0.537 133 G N -1.168 107.736 108.800 0.175 0.000 2.144 133 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.218 133 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.218 133 G C 0.104 175.113 174.900 0.181 0.000 0.988 133 G CA 1.051 46.136 45.100 -0.025 0.000 0.659 133 G HN 1.266 nan 8.290 nan 0.000 0.522 134 D N 0.634 121.160 120.400 0.211 0.000 2.361 134 D HA 0.543 5.183 4.640 -0.000 0.000 0.239 134 D C 0.737 177.188 176.300 0.252 0.000 1.200 134 D CA 0.841 54.978 54.000 0.228 0.000 0.915 134 D CB 0.678 41.532 40.800 0.091 0.000 1.170 134 D HN 0.107 nan 8.370 nan 0.000 0.444 135 T N -0.009 114.673 114.554 0.212 0.000 2.863 135 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 135 T C -0.497 174.064 174.700 -0.232 0.000 1.009 135 T CA -0.702 61.348 62.100 -0.083 0.000 0.989 135 T CB 1.521 70.294 68.868 -0.158 0.000 1.004 135 T HN 0.012 nan 8.240 nan 0.000 0.455 136 V N 2.245 121.922 119.914 -0.395 0.000 2.680 136 V HA 0.583 4.703 4.120 -0.000 0.000 0.309 136 V C -0.783 175.158 176.094 -0.255 0.000 1.052 136 V CA -1.033 61.180 62.300 -0.145 0.000 0.908 136 V CB 1.899 33.643 31.823 -0.132 0.000 1.001 136 V HN 0.781 nan 8.190 nan 0.000 0.431 137 W N 1.457 122.874 121.300 0.195 0.000 2.781 137 W HA 0.818 5.478 4.660 -0.000 0.000 0.345 137 W C -0.199 176.513 176.519 0.323 0.000 1.085 137 W CA -0.796 56.684 57.345 0.225 0.000 1.198 137 W CB 2.546 32.042 29.460 0.060 0.000 1.423 137 W HN 0.668 nan 8.180 nan 0.000 0.532 138 A N 2.305 125.422 122.820 0.496 0.000 2.374 138 A HA 0.387 4.707 4.320 -0.000 0.000 0.317 138 A C -0.636 177.048 177.584 0.166 0.000 1.094 138 A CA -0.711 51.445 52.037 0.200 0.000 0.765 138 A CB 1.394 20.299 19.000 -0.159 0.000 1.268 138 A HN 0.512 nan 8.150 nan 0.000 0.438 139 N N 1.631 120.392 118.700 0.102 0.000 2.558 139 N HA 0.119 4.859 4.740 -0.000 0.000 0.233 139 N C 0.995 176.541 175.510 0.060 0.000 1.038 139 N CA 0.462 53.568 53.050 0.093 0.000 0.934 139 N CB 0.963 39.497 38.487 0.077 0.000 1.175 139 N HN 0.660 nan 8.380 nan 0.000 0.512 140 T N 0.016 114.613 114.554 0.071 0.000 3.118 140 T HA 0.090 4.440 4.350 -0.000 0.000 0.260 140 T C 1.508 176.252 174.700 0.073 0.000 1.139 140 T CA 0.616 62.748 62.100 0.053 0.000 1.085 140 T CB 0.164 69.066 68.868 0.056 0.000 0.934 140 T HN 0.333 nan 8.240 nan 0.000 0.518 141 A N 1.551 124.413 122.820 0.070 0.000 1.903 141 A HA 0.611 4.931 4.320 -0.000 0.000 0.213 141 A C 2.750 180.392 177.584 0.097 0.000 1.185 141 A CA 1.001 53.082 52.037 0.073 0.000 0.628 141 A CB -1.237 17.779 19.000 0.027 0.000 0.830 141 A HN 0.622 nan 8.150 nan 0.000 0.446 142 A N 0.197 123.053 122.820 0.061 0.000 1.940 142 A HA 0.126 4.446 4.320 -0.000 0.000 0.219 142 A C 2.457 180.067 177.584 0.044 0.000 1.176 142 A CA 2.102 54.167 52.037 0.048 0.000 0.631 142 A CB -0.965 18.056 19.000 0.035 0.000 0.814 142 A HN 1.022 nan 8.150 nan 0.000 0.446 143 A N -1.365 121.484 122.820 0.047 0.000 1.908 143 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 143 A C 2.152 179.737 177.584 0.002 0.000 1.181 143 A CA 1.733 53.790 52.037 0.034 0.000 0.627 143 A CB -0.842 18.171 19.000 0.022 0.000 0.818 143 A HN 0.771 nan 8.150 nan 0.000 0.445 144 Y N 0.295 120.559 120.300 -0.060 0.000 2.145 144 Y HA -0.242 4.308 4.550 -0.000 0.000 0.286 144 Y C 2.526 178.377 175.900 -0.080 0.000 1.145 144 Y CA 2.367 60.422 58.100 -0.075 0.000 1.148 144 Y CB -0.499 37.934 38.460 -0.045 0.000 0.981 144 Y HN 0.417 nan 8.280 nan 0.000 0.507 145 Q N 0.004 119.816 119.800 0.019 0.000 2.135 145 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 145 Q C 2.098 178.003 176.000 -0.158 0.000 0.981 145 Q CA 2.004 57.772 55.803 -0.059 0.000 0.856 145 Q CB -0.213 28.543 28.738 0.030 0.000 0.902 145 Q HN 0.795 nan 8.270 nan 0.000 0.425 146 E N 0.156 120.276 120.200 -0.134 0.000 2.427 146 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 146 E C -0.100 176.364 176.600 -0.227 0.000 1.028 146 E CA -0.080 56.245 56.400 -0.124 0.000 0.864 146 E CB -0.100 29.577 29.700 -0.039 0.000 0.813 146 E HN 0.247 nan 8.360 nan 0.000 0.514 147 L N 2.230 123.225 121.223 -0.380 0.000 2.485 147 L HA 0.195 4.535 4.340 -0.000 0.000 0.275 147 L C -1.993 174.704 176.870 -0.289 0.000 1.207 147 L CA -2.003 52.572 54.840 -0.440 0.000 0.855 147 L CB -0.190 41.572 42.059 -0.494 0.000 1.114 147 L HN -0.077 nan 8.230 nan 0.000 0.485 148 P HA -0.055 nan 4.420 nan 0.000 0.268 148 P C 0.479 177.690 177.300 -0.149 0.000 1.208 148 P CA -0.120 62.897 63.100 -0.137 0.000 0.777 148 P CB 0.550 32.195 31.700 -0.091 0.000 0.875 149 E N 3.450 123.583 120.200 -0.112 0.000 2.085 149 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 149 E C -0.858 175.696 176.600 -0.076 0.000 0.994 149 E CA 1.904 58.245 56.400 -0.099 0.000 0.801 149 E CB -1.445 28.219 29.700 -0.060 0.000 0.743 149 E HN 0.370 nan 8.360 nan 0.000 0.453 150 P HA -0.158 nan 4.420 nan 0.000 0.216 150 P C 1.487 178.761 177.300 -0.043 0.000 1.150 150 P CA 0.843 63.923 63.100 -0.033 0.000 0.837 150 P CB -0.050 31.636 31.700 -0.024 0.000 0.786 151 L N -0.382 120.795 121.223 -0.078 0.000 2.109 151 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 151 L C 2.288 179.088 176.870 -0.117 0.000 1.086 151 L CA 1.652 56.436 54.840 -0.093 0.000 0.760 151 L CB -1.040 40.938 42.059 -0.134 0.000 0.910 151 L HN -0.163 nan 8.230 nan 0.000 0.437 152 R N -0.335 120.047 120.500 -0.197 0.000 2.103 152 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 152 R C 2.056 178.358 176.300 0.003 0.000 1.142 152 R CA 1.864 57.822 56.100 -0.237 0.000 0.960 152 R CB -0.480 29.570 30.300 -0.417 0.000 0.858 152 R HN 0.497 nan 8.270 nan 0.000 0.439 153 E N 0.629 120.830 120.200 0.001 0.000 2.072 153 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 153 E C 1.923 178.564 176.600 0.069 0.000 0.985 153 E CA 0.779 57.211 56.400 0.053 0.000 0.801 153 E CB -0.105 29.617 29.700 0.036 0.000 0.750 153 E HN 0.070 nan 8.360 nan 0.000 0.452 154 L N 1.122 122.373 121.223 0.047 0.000 1.989 154 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 154 L C 2.216 179.136 176.870 0.084 0.000 1.071 154 L CA 2.268 57.147 54.840 0.065 0.000 0.749 154 L CB -0.934 41.146 42.059 0.034 0.000 0.890 154 L HN 0.084 nan 8.230 nan 0.000 0.431 155 A N -0.857 122.007 122.820 0.073 0.000 1.948 155 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 155 A C 1.916 179.580 177.584 0.133 0.000 1.177 155 A CA 1.953 54.051 52.037 0.100 0.000 0.636 155 A CB -0.981 18.098 19.000 0.131 0.000 0.815 155 A HN 0.589 nan 8.150 nan 0.000 0.449 156 D N -0.551 119.947 120.400 0.164 0.000 2.311 156 D HA -0.095 4.545 4.640 -0.000 0.000 0.212 156 D C 1.629 178.015 176.300 0.144 0.000 0.972 156 D CA 1.262 55.346 54.000 0.140 0.000 0.887 156 D CB -0.107 40.781 40.800 0.147 0.000 0.915 156 D HN 0.567 nan 8.370 nan 0.000 0.497 157 K N -0.653 119.849 120.400 0.170 0.000 2.354 157 K HA 0.204 4.524 4.320 -0.000 0.000 0.194 157 K C 0.603 177.404 176.600 0.336 0.000 1.038 157 K CA -0.102 56.327 56.287 0.236 0.000 1.052 157 K CB 0.837 33.454 32.500 0.195 0.000 0.861 157 K HN 0.039 nan 8.250 nan 0.000 0.535 158 L N 0.837 122.209 121.223 0.249 0.000 2.395 158 L HA 0.191 4.531 4.340 -0.000 0.000 0.269 158 L C -0.638 176.390 176.870 0.264 0.000 1.133 158 L CA -0.341 54.667 54.840 0.280 0.000 0.812 158 L CB 0.376 42.515 42.059 0.134 0.000 1.125 158 L HN 0.000 nan 8.230 nan 0.000 0.452 159 W N 1.197 122.599 121.300 0.170 0.000 2.844 159 W HA 0.695 5.355 4.660 -0.000 0.000 0.340 159 W C -0.361 176.277 176.519 0.198 0.000 1.093 159 W CA -0.280 57.175 57.345 0.182 0.000 1.212 159 W CB 1.927 31.481 29.460 0.155 0.000 1.422 159 W HN 0.443 nan 8.180 nan 0.000 0.515 160 A N 1.396 124.440 122.820 0.373 0.000 2.423 160 A HA 0.861 5.181 4.320 -0.000 0.000 0.304 160 A C -1.599 176.217 177.584 0.385 0.000 1.104 160 A CA -0.775 51.449 52.037 0.312 0.000 0.757 160 A CB 1.242 20.360 19.000 0.196 0.000 1.313 160 A HN 0.365 nan 8.150 nan 0.000 0.423 161 V N 2.762 122.834 119.914 0.264 0.000 2.407 161 V HA 0.337 4.457 4.120 -0.000 0.000 0.278 161 V C -0.277 175.967 176.094 0.250 0.000 1.037 161 V CA -0.310 62.159 62.300 0.282 0.000 0.900 161 V CB 0.819 32.754 31.823 0.187 0.000 0.983 161 V HN 0.855 nan 8.190 nan 0.000 0.459 162 H N 2.643 121.873 119.070 0.266 0.000 2.469 162 H HA 0.629 5.185 4.556 -0.000 0.000 0.342 162 H C -0.256 175.251 175.328 0.300 0.000 1.115 162 H CA -0.291 55.952 56.048 0.325 0.000 1.204 162 H CB 2.227 32.236 29.762 0.411 0.000 1.492 162 H HN 0.653 nan 8.280 nan 0.000 0.499 163 S N 2.730 118.672 115.700 0.404 0.000 2.549 163 S HA 0.226 4.696 4.470 -0.000 0.000 0.280 163 S C -0.521 174.160 174.600 0.134 0.000 1.109 163 S CA -1.063 57.278 58.200 0.235 0.000 0.905 163 S CB 1.247 64.527 63.200 0.132 0.000 1.081 163 S HN 0.804 nan 8.310 nan 0.000 0.477 193 E N 2.296 122.570 120.200 0.123 0.000 2.224 193 E HA 0.679 5.029 4.350 -0.000 0.000 0.265 193 E C -1.147 175.539 176.600 0.144 0.000 0.878 193 E CA -0.917 55.572 56.400 0.148 0.000 0.759 193 E CB 2.495 32.261 29.700 0.109 0.000 1.164 193 E HN 0.724 nan 8.360 nan 0.000 0.414 194 T N 2.117 116.776 114.554 0.175 0.000 2.893 194 T HA 0.301 4.651 4.350 -0.000 0.000 0.291 194 T C -0.735 174.015 174.700 0.084 0.000 1.028 194 T CA -0.843 61.291 62.100 0.057 0.000 0.995 194 T CB 1.513 70.352 68.868 -0.048 0.000 1.051 194 T HN 0.315 nan 8.240 nan 0.000 0.470 195 E N 2.189 122.420 120.200 0.052 0.000 2.134 195 E HA 0.344 4.694 4.350 -0.000 0.000 0.278 195 E C -0.619 176.079 176.600 0.163 0.000 0.959 195 E CA -0.776 55.783 56.400 0.265 0.000 0.783 195 E CB 0.934 30.881 29.700 0.412 0.000 1.095 195 E HN 0.511 nan 8.360 nan 0.000 0.399 196 H N 2.390 121.615 119.070 0.258 0.000 2.679 196 H HA 0.317 4.873 4.556 -0.000 0.000 0.367 196 H C -2.310 172.637 175.328 -0.634 0.000 1.162 196 H CA -2.291 53.671 56.048 -0.143 0.000 1.181 196 H CB 1.772 31.461 29.762 -0.121 0.000 1.693 196 H HN 0.343 nan 8.280 nan 0.000 0.538 197 P HA -0.045 nan 4.420 nan 0.000 0.269 197 P C 1.060 178.116 177.300 -0.406 0.000 1.209 197 P CA -0.024 62.343 63.100 -1.221 0.000 0.776 197 P CB 1.319 32.529 31.700 -0.817 0.000 0.876 198 V N 2.306 122.069 119.914 -0.251 0.000 2.626 198 V HA -0.113 4.007 4.120 -0.000 0.000 0.252 198 V C 1.171 177.236 176.094 -0.048 0.000 1.067 198 V CA 1.461 63.736 62.300 -0.042 0.000 1.081 198 V CB -0.108 31.731 31.823 0.027 0.000 0.686 198 V HN 0.329 nan 8.190 nan 0.000 0.468 199 V N 1.029 120.877 119.914 -0.109 0.000 2.378 199 V HA 0.402 4.522 4.120 -0.000 0.000 0.288 199 V C 0.059 176.053 176.094 -0.167 0.000 1.016 199 V CA -0.698 61.520 62.300 -0.136 0.000 0.840 199 V CB 1.598 33.334 31.823 -0.145 0.000 0.994 199 V HN 0.356 nan 8.190 nan 0.000 0.431 200 R N 3.792 124.206 120.500 -0.144 0.000 2.368 200 R HA 0.664 5.004 4.340 -0.000 0.000 0.302 200 R C -1.173 175.054 176.300 -0.121 0.000 1.002 200 R CA -0.473 55.557 56.100 -0.117 0.000 0.929 200 R CB 1.706 31.966 30.300 -0.067 0.000 1.073 200 R HN 0.503 nan 8.270 nan 0.000 0.464 201 V N 5.112 124.968 119.914 -0.096 0.000 2.385 201 V HA 0.090 4.210 4.120 -0.000 0.000 0.269 201 V C 0.460 176.541 176.094 -0.022 0.000 1.043 201 V CA -0.519 61.741 62.300 -0.067 0.000 0.906 201 V CB 0.760 32.551 31.823 -0.053 0.000 0.995 201 V HN 0.717 nan 8.190 nan 0.000 0.467 202 H N 9.129 128.151 119.070 -0.081 0.000 2.886 202 H HA 0.118 4.674 4.556 -0.000 0.000 0.329 202 H C -1.560 173.733 175.328 -0.058 0.000 1.044 202 H CA -1.388 54.622 56.048 -0.063 0.000 1.456 202 H CB 1.983 31.713 29.762 -0.053 0.000 1.464 202 H HN 0.403 nan 8.280 nan 0.000 0.573 203 P HA -0.079 nan 4.420 nan 0.000 0.237 203 P C 0.943 178.260 177.300 0.029 0.000 1.178 203 P CA 0.603 63.653 63.100 -0.083 0.000 0.766 203 P CB 0.641 32.242 31.700 -0.166 0.000 0.876 204 I N -0.226 120.492 120.570 0.247 0.000 3.443 204 I HA -0.009 4.161 4.170 -0.000 0.000 0.277 204 I C 2.236 178.427 176.117 0.123 0.000 1.169 204 I CA 1.144 62.551 61.300 0.179 0.000 1.419 204 I CB -1.585 36.534 38.000 0.198 0.000 1.331 204 I HN 0.010 nan 8.210 nan 0.000 0.458 205 S N 0.444 116.224 115.700 0.134 0.000 2.503 205 S HA 0.219 4.689 4.470 -0.000 0.000 0.217 205 S C 1.794 176.385 174.600 -0.014 0.000 0.999 205 S CA 0.573 58.739 58.200 -0.058 0.000 0.914 205 S CB 0.164 63.203 63.200 -0.269 0.000 0.782 205 S HN 0.567 nan 8.310 nan 0.000 0.520 206 G N 1.198 110.031 108.800 0.054 0.000 2.196 206 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.268 206 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.268 206 G C -0.168 174.728 174.900 -0.006 0.000 0.975 206 G CA 0.482 45.595 45.100 0.022 0.000 0.648 206 G HN 0.636 nan 8.290 nan 0.000 0.538 207 E N 0.502 120.688 120.200 -0.023 0.000 2.384 207 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 207 E C 0.860 177.418 176.600 -0.069 0.000 1.012 207 E CA -0.315 56.055 56.400 -0.050 0.000 0.901 207 E CB 0.477 30.126 29.700 -0.084 0.000 0.967 207 E HN 0.386 nan 8.360 nan 0.000 0.435 208 R N 1.254 121.651 120.500 -0.172 0.000 2.438 208 R HA 0.456 4.796 4.340 -0.000 0.000 0.287 208 R C -0.561 175.543 176.300 -0.327 0.000 1.077 208 R CA -0.227 55.636 56.100 -0.395 0.000 1.034 208 R CB 1.073 30.829 30.300 -0.906 0.000 0.993 208 R HN 0.435 nan 8.270 nan 0.000 0.459 209 A N 3.386 126.061 122.820 -0.242 0.000 2.475 209 A HA 0.446 4.766 4.320 -0.000 0.000 0.301 209 A C -0.712 176.837 177.584 -0.059 0.000 1.059 209 A CA -0.814 51.177 52.037 -0.076 0.000 0.710 209 A CB 1.173 20.187 19.000 0.023 0.000 1.288 209 A HN 0.599 nan 8.150 nan 0.000 0.408 210 L N 1.876 123.116 121.223 0.029 0.000 2.410 210 L HA 0.256 4.596 4.340 -0.000 0.000 0.273 210 L C -0.188 176.700 176.870 0.030 0.000 1.152 210 L CA -0.236 54.627 54.840 0.038 0.000 0.855 210 L CB 0.741 42.828 42.059 0.047 0.000 1.129 210 L HN 0.599 nan 8.230 nan 0.000 0.463 211 Q N 5.743 125.565 119.800 0.038 0.000 2.456 211 Q HA 0.544 4.884 4.340 -0.000 0.000 0.252 211 Q C -0.459 175.642 176.000 0.169 0.000 1.042 211 Q CA -0.025 55.815 55.803 0.062 0.000 0.766 211 Q CB 1.943 30.687 28.738 0.009 0.000 1.196 211 Q HN 0.629 nan 8.270 nan 0.000 0.504 212 L N -0.560 120.761 121.223 0.162 0.000 3.080 212 L HA 0.818 5.158 4.340 -0.000 0.000 0.223 212 L C 0.597 177.617 176.870 0.251 0.000 1.949 212 L CA -0.496 54.471 54.840 0.212 0.000 2.355 212 L CB 0.163 42.241 42.059 0.032 0.000 2.276 212 L HN 0.690 nan 8.230 nan 0.000 0.601 213 G N -0.530 108.408 108.800 0.230 0.000 2.728 213 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.294 213 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.294 213 G C 0.252 175.326 174.900 0.291 0.000 1.342 213 G CA 0.321 45.551 45.100 0.218 0.000 0.866 213 G HN 1.003 nan 8.290 nan 0.000 0.534 214 H N -1.259 117.873 119.070 0.103 0.000 2.524 214 H HA 0.108 4.664 4.556 -0.000 0.000 0.282 214 H C 2.009 177.262 175.328 -0.124 0.000 1.016 214 H CA 1.302 57.323 56.048 -0.046 0.000 1.270 214 H CB -0.083 29.581 29.762 -0.162 0.000 1.394 214 H HN 0.331 nan 8.280 nan 0.000 0.568 215 F N 1.922 122.122 119.950 0.417 0.000 2.699 215 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 215 F C 0.995 176.867 175.800 0.120 0.000 1.154 215 F CA -0.138 58.078 58.000 0.361 0.000 1.457 215 F CB -0.140 39.166 39.000 0.510 0.000 1.106 215 F HN -0.053 nan 8.300 nan 0.000 0.585 216 V N 1.149 121.099 119.914 0.060 0.000 2.485 216 V HA 0.181 4.301 4.120 -0.000 0.000 0.287 216 V C 1.114 177.117 176.094 -0.152 0.000 1.022 216 V CA 0.665 62.830 62.300 -0.224 0.000 1.067 216 V CB 0.468 32.176 31.823 -0.191 0.000 0.967 216 V HN 0.359 nan 8.190 nan 0.000 0.479 217 K N 5.628 125.983 120.400 -0.076 0.000 2.244 217 K HA 0.280 4.600 4.320 -0.000 0.000 0.200 217 K C 0.846 177.397 176.600 -0.082 0.000 1.052 217 K CA 1.128 57.384 56.287 -0.052 0.000 0.980 217 K CB 0.262 32.778 32.500 0.026 0.000 0.838 217 K HN 0.877 nan 8.250 nan 0.000 0.481 218 R N -1.498 118.977 120.500 -0.042 0.000 2.753 218 R HA 0.439 4.779 4.340 -0.000 0.000 0.272 218 R C -1.727 174.614 176.300 0.068 0.000 1.034 218 R CA -0.763 55.333 56.100 -0.008 0.000 0.869 218 R CB 0.384 30.706 30.300 0.035 0.000 1.264 218 R HN 0.024 nan 8.270 nan 0.000 0.481 219 I N 2.037 122.671 120.570 0.108 0.000 2.352 219 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 219 I C 0.751 177.041 176.117 0.288 0.000 1.036 219 I CA -0.461 60.949 61.300 0.183 0.000 1.336 219 I CB 1.171 39.231 38.000 0.101 0.000 1.407 219 I HN 0.848 nan 8.210 nan 0.000 0.497 220 K N 4.596 125.182 120.400 0.311 0.000 2.447 220 K HA 0.417 4.737 4.320 -0.000 0.000 0.281 220 K C 0.981 177.778 176.600 0.329 0.000 1.031 220 K CA 0.318 56.772 56.287 0.279 0.000 1.019 220 K CB -0.052 32.607 32.500 0.265 0.000 0.918 220 K HN 1.108 nan 8.250 nan 0.000 0.476 221 G N 0.678 109.582 108.800 0.175 0.000 2.138 221 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.193 221 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.193 221 G C -0.410 174.286 174.900 -0.340 0.000 0.998 221 G CA 0.113 45.178 45.100 -0.058 0.000 0.668 221 G HN 0.795 nan 8.290 nan 0.000 0.516 222 Y N 0.919 121.261 120.300 0.069 0.000 2.570 222 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 222 Y C 0.982 176.915 175.900 0.056 0.000 1.014 222 Y CA -0.464 57.677 58.100 0.067 0.000 1.063 222 Y CB 1.690 40.201 38.460 0.084 0.000 1.272 222 Y HN 0.377 nan 8.280 nan 0.000 0.477 223 S N 1.014 116.813 115.700 0.164 0.000 2.606 223 S HA 0.061 4.531 4.470 -0.000 0.000 0.257 223 S C 1.034 175.714 174.600 0.134 0.000 1.327 223 S CA -0.482 57.787 58.200 0.117 0.000 0.984 223 S CB 0.473 63.732 63.200 0.098 0.000 0.941 223 S HN 0.774 nan 8.310 nan 0.000 0.576 224 L N 1.010 122.283 121.223 0.084 0.000 2.046 224 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 224 L C 2.518 179.421 176.870 0.055 0.000 1.077 224 L CA 2.332 57.206 54.840 0.058 0.000 0.747 224 L CB -1.385 40.692 42.059 0.029 0.000 0.896 224 L HN 0.885 nan 8.230 nan 0.000 0.432 225 A N -0.628 122.236 122.820 0.072 0.000 1.902 225 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 225 A C 1.978 179.655 177.584 0.155 0.000 1.181 225 A CA 1.857 53.943 52.037 0.081 0.000 0.623 225 A CB -0.897 18.175 19.000 0.120 0.000 0.818 225 A HN 0.544 nan 8.150 nan 0.000 0.443 226 D N -0.697 119.825 120.400 0.204 0.000 2.117 226 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 226 D C 2.255 178.653 176.300 0.164 0.000 0.982 226 D CA 1.462 55.607 54.000 0.242 0.000 0.828 226 D CB -0.431 40.551 40.800 0.302 0.000 0.967 226 D HN 0.360 nan 8.370 nan 0.000 0.464 227 S N -0.185 115.603 115.700 0.147 0.000 2.365 227 S HA -0.295 4.175 4.470 -0.000 0.000 0.225 227 S C 2.244 176.885 174.600 0.068 0.000 1.039 227 S CA 2.642 60.894 58.200 0.087 0.000 1.033 227 S CB -0.424 62.832 63.200 0.093 0.000 0.887 227 S HN 0.384 nan 8.310 nan 0.000 0.447 228 Q N 1.070 120.884 119.800 0.022 0.000 2.084 228 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 228 Q C 2.029 178.032 176.000 0.006 0.000 0.978 228 Q CA 2.018 57.810 55.803 -0.019 0.000 0.844 228 Q CB -1.483 27.179 28.738 -0.125 0.000 0.898 228 Q HN 0.870 nan 8.270 nan 0.000 0.426 229 H N 0.327 119.444 119.070 0.079 0.000 2.290 229 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 229 H C 2.282 177.643 175.328 0.056 0.000 1.087 229 H CA 1.706 57.792 56.048 0.063 0.000 1.291 229 H CB -0.218 29.571 29.762 0.044 0.000 1.369 229 H HN 0.457 nan 8.280 nan 0.000 0.492 230 L N -0.461 120.854 121.223 0.153 0.000 2.046 230 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 230 L C 2.591 179.518 176.870 0.095 0.000 1.077 230 L CA 1.106 55.984 54.840 0.063 0.000 0.747 230 L CB -0.587 41.432 42.059 -0.067 0.000 0.896 230 L HN 0.094 nan 8.230 nan 0.000 0.432 231 F N 1.001 120.940 119.950 -0.018 0.000 2.069 231 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 231 F C 2.520 178.318 175.800 -0.003 0.000 1.113 231 F CA 1.388 59.381 58.000 -0.012 0.000 1.214 231 F CB -0.349 38.641 39.000 -0.017 0.000 0.978 231 F HN 0.001 nan 8.300 nan 0.000 0.474 232 A N -0.096 122.839 122.820 0.193 0.000 1.917 232 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 232 A C 2.328 179.889 177.584 -0.038 0.000 1.182 232 A CA 2.297 54.369 52.037 0.058 0.000 0.633 232 A CB -1.487 17.568 19.000 0.092 0.000 0.819 232 A HN 0.315 nan 8.150 nan 0.000 0.448 233 V N -0.102 119.821 119.914 0.016 0.000 2.261 233 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 233 V C 2.594 178.715 176.094 0.045 0.000 1.047 233 V CA 2.131 64.452 62.300 0.035 0.000 1.015 233 V CB -0.722 31.139 31.823 0.065 0.000 0.642 233 V HN 0.581 nan 8.190 nan 0.000 0.446 234 L N -0.662 120.539 121.223 -0.037 0.000 2.044 234 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 234 L C 2.617 179.386 176.870 -0.169 0.000 1.075 234 L CA 1.497 56.302 54.840 -0.058 0.000 0.747 234 L CB -0.666 41.342 42.059 -0.085 0.000 0.903 234 L HN 0.326 nan 8.230 nan 0.000 0.435 235 Q N 0.781 120.332 119.800 -0.415 0.000 2.124 235 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 235 Q C 2.084 177.869 176.000 -0.359 0.000 0.977 235 Q CA 1.910 57.396 55.803 -0.529 0.000 0.850 235 Q CB -0.606 27.527 28.738 -1.009 0.000 0.901 235 Q HN 0.403 nan 8.270 nan 0.000 0.429 236 G N -0.622 108.014 108.800 -0.273 0.000 2.432 236 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 236 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 236 G C 1.272 175.984 174.900 -0.315 0.000 1.135 236 G CA 0.921 45.862 45.100 -0.265 0.000 0.767 236 G HN 0.449 nan 8.290 nan 0.000 0.550 237 H N -0.171 118.785 119.070 -0.190 0.000 2.395 237 H HA 0.010 4.566 4.556 -0.000 0.000 0.299 237 H C 2.847 178.063 175.328 -0.188 0.000 1.070 237 H CA 1.095 57.048 56.048 -0.159 0.000 1.356 237 H CB -0.123 29.564 29.762 -0.126 0.000 1.401 237 H HN 0.179 nan 8.280 nan 0.000 0.524 238 V N 0.998 120.833 119.914 -0.131 0.000 2.250 238 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 238 V C 2.503 178.356 176.094 -0.403 0.000 1.060 238 V CA 2.581 64.736 62.300 -0.241 0.000 1.030 238 V CB -0.868 30.778 31.823 -0.294 0.000 0.643 238 V HN 0.592 nan 8.190 nan 0.000 0.445 239 T N -2.389 111.840 114.554 -0.543 0.000 3.122 239 T HA 0.120 4.470 4.350 -0.000 0.000 0.250 239 T C 0.774 175.255 174.700 -0.365 0.000 1.067 239 T CA -0.314 61.341 62.100 -0.743 0.000 0.966 239 T CB -0.292 67.921 68.868 -1.091 0.000 1.002 239 T HN 0.334 nan 8.240 nan 0.000 0.542 240 R N 0.934 121.279 120.500 -0.258 0.000 2.538 240 R HA 0.173 4.513 4.340 -0.000 0.000 0.282 240 R C 1.254 177.493 176.300 -0.101 0.000 1.009 240 R CA -0.184 55.817 56.100 -0.166 0.000 1.063 240 R CB 0.168 30.378 30.300 -0.149 0.000 0.945 240 R HN 0.341 nan 8.270 nan 0.000 0.414 241 L N 3.303 124.490 121.223 -0.060 0.000 2.129 241 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 241 L C 1.711 178.583 176.870 0.004 0.000 1.087 241 L CA 1.509 56.342 54.840 -0.012 0.000 0.757 241 L CB -0.196 41.859 42.059 -0.006 0.000 0.896 241 L HN 0.717 nan 8.230 nan 0.000 0.434 242 E N -0.216 119.979 120.200 -0.009 0.000 2.265 242 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 242 E C 1.306 177.919 176.600 0.021 0.000 0.996 242 E CA 0.653 57.058 56.400 0.008 0.000 0.832 242 E CB -0.055 29.645 29.700 0.000 0.000 0.756 242 E HN 0.385 nan 8.360 nan 0.000 0.491 243 N N 0.125 118.829 118.700 0.007 0.000 2.268 243 N HA 0.014 4.754 4.740 -0.000 0.000 0.204 243 N C -0.355 175.189 175.510 0.057 0.000 1.124 243 N CA 0.416 53.477 53.050 0.019 0.000 0.838 243 N CB 0.618 39.093 38.487 -0.020 0.000 0.994 243 N HN 0.173 nan 8.380 nan 0.000 0.489 244 T N -3.333 111.274 114.554 0.089 0.000 2.916 244 T HA 0.639 4.989 4.350 -0.000 0.000 0.292 244 T C -0.553 174.271 174.700 0.206 0.000 1.064 244 T CA -0.862 61.347 62.100 0.181 0.000 1.011 244 T CB 2.426 71.423 68.868 0.215 0.000 1.152 244 T HN -0.212 nan 8.240 nan 0.000 0.510 245 V N 0.809 120.904 119.914 0.301 0.000 2.760 245 V HA 0.766 4.886 4.120 -0.000 0.000 0.309 245 V C -0.920 175.398 176.094 0.373 0.000 1.077 245 V CA -1.038 61.440 62.300 0.296 0.000 0.910 245 V CB 1.947 33.963 31.823 0.320 0.000 1.008 245 V HN 1.134 nan 8.190 nan 0.000 0.424 246 R N 6.329 126.978 120.500 0.248 0.000 2.445 246 R HA 0.448 4.788 4.340 -0.000 0.000 0.308 246 R C -1.534 174.872 176.300 0.177 0.000 0.961 246 R CA -0.642 55.580 56.100 0.203 0.000 0.862 246 R CB 1.312 31.660 30.300 0.081 0.000 1.144 246 R HN 0.825 nan 8.270 nan 0.000 0.447 247 W N 6.278 127.537 121.300 -0.069 0.000 2.587 247 W HA 0.380 5.040 4.660 -0.000 0.000 0.324 247 W C -1.187 175.116 176.519 -0.359 0.000 1.040 247 W CA -1.077 56.049 57.345 -0.366 0.000 1.222 247 W CB 1.505 30.595 29.460 -0.616 0.000 1.381 247 W HN 0.536 nan 8.180 nan 0.000 0.483 248 R N 5.257 125.248 120.500 -0.848 0.000 2.207 248 R HA 0.207 4.547 4.340 -0.000 0.000 0.334 248 R C -1.017 174.971 176.300 -0.520 0.000 1.013 248 R CA -0.372 55.426 56.100 -0.504 0.000 0.858 248 R CB 0.467 30.528 30.300 -0.398 0.000 1.094 248 R HN 0.429 nan 8.270 nan 0.000 0.457 249 W N 3.051 124.312 121.300 -0.065 0.000 2.218 249 W HA 0.203 4.863 4.660 -0.000 0.000 0.326 249 W C 0.221 176.757 176.519 0.028 0.000 1.276 249 W CA -0.154 57.265 57.345 0.123 0.000 1.210 249 W CB 0.827 30.406 29.460 0.199 0.000 1.143 249 W HN 0.423 nan 8.180 nan 0.000 0.563 250 E N 1.489 121.907 120.200 0.363 0.000 2.227 250 E HA 0.554 4.904 4.350 -0.000 0.000 0.268 250 E C -0.454 176.304 176.600 0.263 0.000 0.907 250 E CA -1.093 55.442 56.400 0.224 0.000 0.786 250 E CB 1.630 31.411 29.700 0.135 0.000 1.191 250 E HN 0.486 nan 8.360 nan 0.000 0.411 251 A N 1.340 124.256 122.820 0.160 0.000 2.565 251 A HA 0.361 4.681 4.320 -0.000 0.000 0.237 251 A C 1.245 178.915 177.584 0.144 0.000 1.053 251 A CA 1.077 53.189 52.037 0.124 0.000 0.755 251 A CB -0.586 18.453 19.000 0.066 0.000 0.980 251 A HN 0.900 nan 8.150 nan 0.000 0.506 252 G N 1.915 110.798 108.800 0.138 0.000 2.199 252 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 252 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 252 G C -0.010 175.019 174.900 0.215 0.000 0.982 252 G CA 0.352 45.533 45.100 0.135 0.000 0.632 252 G HN 0.867 nan 8.290 nan 0.000 0.529 253 D N 0.200 120.815 120.400 0.358 0.000 2.414 253 D HA 0.477 5.117 4.640 -0.000 0.000 0.242 253 D C 0.349 176.958 176.300 0.514 0.000 1.129 253 D CA 0.370 54.672 54.000 0.504 0.000 0.885 253 D CB 1.733 43.027 40.800 0.824 0.000 1.198 253 D HN 0.231 nan 8.370 nan 0.000 0.437 254 V N 1.174 121.351 119.914 0.438 0.000 2.638 254 V HA 0.676 4.796 4.120 -0.000 0.000 0.306 254 V C -0.145 176.174 176.094 0.375 0.000 1.052 254 V CA -0.835 61.705 62.300 0.400 0.000 0.885 254 V CB 1.781 33.717 31.823 0.188 0.000 0.999 254 V HN 0.682 nan 8.190 nan 0.000 0.424 255 A N 5.789 128.862 122.820 0.421 0.000 2.350 255 A HA 0.966 5.286 4.320 -0.000 0.000 0.324 255 A C -0.947 176.746 177.584 0.182 0.000 1.118 255 A CA -0.575 51.532 52.037 0.116 0.000 0.783 255 A CB 1.080 20.222 19.000 0.237 0.000 1.236 255 A HN 0.755 nan 8.150 nan 0.000 0.457 256 I N 1.401 121.953 120.570 -0.031 0.000 2.466 256 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 256 I C -0.813 175.279 176.117 -0.041 0.000 1.026 256 I CA -0.321 60.973 61.300 -0.010 0.000 1.078 256 I CB 1.622 39.656 38.000 0.056 0.000 1.249 256 I HN 0.937 nan 8.210 nan 0.000 0.429 257 W N 4.201 125.396 121.300 -0.176 0.000 2.799 257 W HA 0.618 5.278 4.660 -0.000 0.000 0.349 257 W C -0.929 175.569 176.519 -0.035 0.000 1.100 257 W CA -0.921 56.307 57.345 -0.196 0.000 1.174 257 W CB 0.570 29.919 29.460 -0.186 0.000 1.427 257 W HN 0.268 nan 8.180 nan 0.000 0.547 258 D N 1.780 122.305 120.400 0.208 0.000 2.411 258 D HA 0.038 4.678 4.640 -0.000 0.000 0.225 258 D C 0.392 176.876 176.300 0.307 0.000 1.156 258 D CA -0.041 54.060 54.000 0.169 0.000 0.874 258 D CB 0.557 41.456 40.800 0.165 0.000 1.034 258 D HN 0.608 nan 8.370 nan 0.000 0.502 259 N N 2.948 121.816 118.700 0.280 0.000 2.571 259 N HA -0.045 4.695 4.740 -0.000 0.000 0.189 259 N C 1.239 176.951 175.510 0.337 0.000 1.154 259 N CA 0.643 53.929 53.050 0.394 0.000 0.907 259 N CB 0.192 38.874 38.487 0.324 0.000 0.977 259 N HN 0.322 nan 8.380 nan 0.000 0.449 260 R N -1.053 119.598 120.500 0.251 0.000 2.240 260 R HA 0.210 4.550 4.340 -0.000 0.000 0.203 260 R C 0.451 176.882 176.300 0.218 0.000 1.011 260 R CA 0.928 57.151 56.100 0.205 0.000 1.007 260 R CB 0.367 30.670 30.300 0.004 0.000 0.911 260 R HN 0.126 nan 8.270 nan 0.000 0.468 261 A N 0.871 123.835 122.820 0.240 0.000 2.594 261 A HA 0.191 4.511 4.320 -0.000 0.000 0.292 261 A C -0.105 177.590 177.584 0.185 0.000 1.026 261 A CA -0.352 51.798 52.037 0.189 0.000 0.983 261 A CB 0.380 19.480 19.000 0.167 0.000 1.233 261 A HN 0.183 nan 8.150 nan 0.000 0.519 262 T N -3.412 111.285 114.554 0.238 0.000 2.816 262 T HA 0.727 5.077 4.350 -0.000 0.000 0.299 262 T C -0.866 173.985 174.700 0.251 0.000 1.230 262 T CA -0.651 61.611 62.100 0.269 0.000 1.007 262 T CB 1.628 70.735 68.868 0.399 0.000 1.289 262 T HN 0.207 nan 8.240 nan 0.000 0.508 263 Q N 0.109 120.062 119.800 0.254 0.000 2.484 263 Q HA 0.560 4.900 4.340 -0.000 0.000 0.285 263 Q C -0.997 175.166 176.000 0.272 0.000 1.097 263 Q CA -1.120 54.811 55.803 0.212 0.000 0.802 263 Q CB 2.252 31.126 28.738 0.226 0.000 1.444 263 Q HN 0.936 nan 8.270 nan 0.000 0.429 264 H N -1.135 117.833 119.070 -0.170 0.000 2.960 264 H HA 0.566 5.122 4.556 -0.000 0.000 0.338 264 H C -1.886 173.074 175.328 -0.614 0.000 1.261 264 H CA -0.760 54.961 56.048 -0.546 0.000 1.136 264 H CB 1.561 30.563 29.762 -1.266 0.000 1.875 264 H HN 0.722 nan 8.280 nan 0.000 0.550 265 Y N 0.461 120.222 120.300 -0.899 0.000 2.442 265 Y HA 0.556 5.106 4.550 -0.000 0.000 0.330 265 Y C -1.725 173.859 175.900 -0.527 0.000 1.100 265 Y CA -0.465 57.109 58.100 -0.877 0.000 1.034 265 Y CB 1.813 39.292 38.460 -1.635 0.000 1.285 265 Y HN 1.034 nan 8.280 nan 0.000 0.440 266 A N 5.432 128.072 122.820 -0.299 0.000 2.249 266 A HA 0.644 4.964 4.320 -0.000 0.000 0.314 266 A C -1.162 176.430 177.584 0.013 0.000 1.290 266 A CA -0.641 51.357 52.037 -0.065 0.000 0.893 266 A CB 0.275 19.270 19.000 -0.008 0.000 1.165 266 A HN 0.574 nan 8.150 nan 0.000 0.530 267 V N 3.085 123.115 119.914 0.194 0.000 2.479 267 V HA 0.041 4.161 4.120 -0.000 0.000 0.281 267 V C 0.337 176.577 176.094 0.243 0.000 1.031 267 V CA 0.164 62.620 62.300 0.261 0.000 1.038 267 V CB 0.945 32.890 31.823 0.204 0.000 0.981 267 V HN 0.874 nan 8.190 nan 0.000 0.478 268 D N 4.260 124.734 120.400 0.123 0.000 2.639 268 D HA 0.162 4.802 4.640 -0.000 0.000 0.233 268 D C 0.384 176.631 176.300 -0.089 0.000 1.161 268 D CA -0.438 53.539 54.000 -0.037 0.000 1.003 268 D CB 0.305 41.027 40.800 -0.130 0.000 1.034 268 D HN 0.728 nan 8.370 nan 0.000 0.514 269 D N 0.308 120.729 120.400 0.035 0.000 2.563 269 D HA -0.042 4.598 4.640 -0.000 0.000 0.237 269 D C 0.609 176.949 176.300 0.067 0.000 1.282 269 D CA -0.287 53.734 54.000 0.035 0.000 0.816 269 D CB -0.998 39.856 40.800 0.090 0.000 1.066 269 D HN 0.489 nan 8.370 nan 0.000 0.501 270 Y N -1.475 118.837 120.300 0.019 0.000 2.467 270 Y HA 0.552 5.102 4.550 -0.000 0.000 0.250 270 Y C 1.429 177.335 175.900 0.010 0.000 1.155 270 Y CA -0.605 57.506 58.100 0.017 0.000 1.249 270 Y CB 0.123 38.598 38.460 0.025 0.000 1.146 270 Y HN 0.040 nan 8.280 nan 0.000 0.524 271 G N 1.885 110.560 108.800 -0.208 0.000 2.622 271 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.307 271 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.307 271 G C 1.005 175.859 174.900 -0.077 0.000 1.226 271 G CA 1.663 46.688 45.100 -0.125 0.000 0.997 271 G HN 0.918 nan 8.290 nan 0.000 0.551 272 T N -0.972 113.590 114.554 0.012 0.000 3.122 272 T HA 0.421 4.771 4.350 -0.000 0.000 0.250 272 T C 0.889 175.653 174.700 0.106 0.000 1.067 272 T CA 1.014 63.142 62.100 0.045 0.000 0.966 272 T CB 0.144 69.026 68.868 0.023 0.000 1.002 272 T HN 0.706 nan 8.240 nan 0.000 0.542 273 Q N 2.821 122.721 119.800 0.167 0.000 2.286 273 Q HA 0.194 4.534 4.340 -0.000 0.000 0.290 273 Q C -2.438 173.666 176.000 0.173 0.000 1.049 273 Q CA -1.456 54.442 55.803 0.158 0.000 0.923 273 Q CB 0.137 28.974 28.738 0.165 0.000 1.183 273 Q HN 0.285 nan 8.270 nan 0.000 0.383 274 P HA 0.044 nan 4.420 nan 0.000 0.268 274 P C -0.980 176.307 177.300 -0.022 0.000 1.205 274 P CA 0.106 63.238 63.100 0.053 0.000 0.771 274 P CB 0.580 32.298 31.700 0.029 0.000 0.858 275 R N 3.223 123.693 120.500 -0.050 0.000 2.510 275 R HA 0.570 4.910 4.340 -0.000 0.000 0.294 275 R C -1.605 174.624 176.300 -0.117 0.000 1.056 275 R CA -0.468 55.524 56.100 -0.180 0.000 0.918 275 R CB 0.817 30.853 30.300 -0.441 0.000 1.187 275 R HN 0.445 nan 8.270 nan 0.000 0.437 276 I N 5.654 126.150 120.570 -0.125 0.000 2.534 276 I HA 0.373 4.543 4.170 -0.000 0.000 0.288 276 I C -0.391 175.647 176.117 -0.132 0.000 1.077 276 I CA -1.087 60.159 61.300 -0.090 0.000 1.051 276 I CB 2.174 40.146 38.000 -0.048 0.000 1.234 276 I HN 0.381 nan 8.210 nan 0.000 0.425 277 V N 2.891 122.729 119.914 -0.127 0.000 3.001 277 V HA 0.704 4.824 4.120 -0.000 0.000 0.314 277 V C -0.642 175.414 176.094 -0.062 0.000 1.099 277 V CA -0.876 61.328 62.300 -0.160 0.000 0.989 277 V CB 2.233 33.905 31.823 -0.250 0.000 1.040 277 V HN 0.721 nan 8.190 nan 0.000 0.434 278 R N 1.603 122.081 120.500 -0.037 0.000 2.534 278 R HA 0.633 4.973 4.340 -0.000 0.000 0.301 278 R C -0.815 175.508 176.300 0.038 0.000 0.961 278 R CA -0.740 55.365 56.100 0.009 0.000 0.871 278 R CB 2.449 32.754 30.300 0.008 0.000 1.170 278 R HN 0.812 nan 8.270 nan 0.000 0.446 279 R N 2.840 123.374 120.500 0.056 0.000 2.494 279 R HA 0.436 4.776 4.340 -0.000 0.000 0.305 279 R C -1.276 175.052 176.300 0.046 0.000 0.959 279 R CA -0.569 55.570 56.100 0.065 0.000 0.864 279 R CB 1.761 32.121 30.300 0.100 0.000 1.159 279 R HN 0.347 nan 8.270 nan 0.000 0.446 280 V N 3.309 123.231 119.914 0.014 0.000 2.417 280 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 280 V C 0.073 176.115 176.094 -0.087 0.000 1.024 280 V CA -0.635 61.658 62.300 -0.011 0.000 0.861 280 V CB 1.797 33.612 31.823 -0.014 0.000 0.985 280 V HN 0.767 nan 8.190 nan 0.000 0.436 281 T N 6.340 120.845 114.554 -0.081 0.000 2.837 281 T HA 0.648 4.998 4.350 -0.000 0.000 0.285 281 T C -0.313 174.295 174.700 -0.153 0.000 0.984 281 T CA -0.315 61.716 62.100 -0.115 0.000 1.049 281 T CB 0.950 69.792 68.868 -0.042 0.000 0.947 281 T HN 0.354 nan 8.240 nan 0.000 0.472 282 L N 2.219 123.340 121.223 -0.171 0.000 2.329 282 L HA 0.664 5.004 4.340 -0.000 0.000 0.279 282 L C 0.607 177.390 176.870 -0.145 0.000 1.014 282 L CA -1.313 53.418 54.840 -0.183 0.000 0.814 282 L CB 1.445 43.387 42.059 -0.195 0.000 1.257 282 L HN 0.689 nan 8.230 nan 0.000 0.424 283 A N 2.005 124.736 122.820 -0.147 0.000 2.462 283 A HA 0.606 4.926 4.320 -0.000 0.000 0.243 283 A C 0.384 177.890 177.584 -0.129 0.000 1.076 283 A CA 0.297 52.261 52.037 -0.121 0.000 0.773 283 A CB 0.444 19.373 19.000 -0.117 0.000 1.010 283 A HN 0.831 nan 8.150 nan 0.000 0.493 284 G N 0.808 109.524 108.800 -0.139 0.000 2.932 284 G HA2 0.609 4.569 3.960 -0.000 0.000 0.283 284 G HA3 0.609 4.569 3.960 -0.000 0.000 0.283 284 G C -0.871 173.901 174.900 -0.214 0.000 1.336 284 G CA -0.615 44.369 45.100 -0.192 0.000 1.056 284 G HN 0.696 nan 8.290 nan 0.000 0.522 285 E N -1.169 118.877 120.200 -0.257 0.000 2.239 285 E HA 0.499 4.849 4.350 -0.000 0.000 0.261 285 E C -0.296 176.155 176.600 -0.249 0.000 1.016 285 E CA -0.788 55.485 56.400 -0.210 0.000 0.882 285 E CB 1.487 31.077 29.700 -0.184 0.000 1.190 285 E HN 0.199 nan 8.360 nan 0.000 0.415 286 V N 3.040 122.857 119.914 -0.162 0.000 2.479 286 V HA 0.138 4.258 4.120 -0.000 0.000 0.281 286 V C -2.037 173.979 176.094 -0.130 0.000 1.031 286 V CA -1.289 60.937 62.300 -0.123 0.000 1.038 286 V CB 0.121 31.912 31.823 -0.054 0.000 0.981 286 V HN 0.545 nan 8.190 nan 0.000 0.478 287 P HA 0.098 nan 4.420 nan 0.000 0.266 287 P C -0.657 176.616 177.300 -0.045 0.000 1.193 287 P CA 0.137 63.173 63.100 -0.106 0.000 0.770 287 P CB 0.429 32.113 31.700 -0.027 0.000 0.836 288 V N 2.769 122.650 119.914 -0.055 0.000 2.513 288 V HA 0.604 4.724 4.120 -0.000 0.000 0.299 288 V C 0.966 177.040 176.094 -0.033 0.000 1.035 288 V CA -0.426 61.864 62.300 -0.017 0.000 0.889 288 V CB 1.494 33.308 31.823 -0.016 0.000 0.988 288 V HN 0.726 nan 8.190 nan 0.000 0.440 289 G N 2.047 110.846 108.800 -0.000 0.000 2.588 289 G HA2 0.402 4.362 3.960 -0.000 0.000 0.281 289 G HA3 0.402 4.362 3.960 -0.000 0.000 0.281 289 G C 0.973 175.882 174.900 0.015 0.000 1.236 289 G CA -0.310 44.777 45.100 -0.021 0.000 0.969 289 G HN 0.492 nan 8.290 nan 0.000 0.504 290 V N 0.731 120.655 119.914 0.016 0.000 2.515 290 V HA -0.096 4.024 4.120 -0.000 0.000 0.250 290 V C 2.179 178.305 176.094 0.053 0.000 1.058 290 V CA 2.286 64.598 62.300 0.020 0.000 1.064 290 V CB -0.414 31.423 31.823 0.023 0.000 0.675 290 V HN 0.853 nan 8.190 nan 0.000 0.461 291 D N -0.652 119.803 120.400 0.091 0.000 2.325 291 D HA 0.215 4.855 4.640 -0.000 0.000 0.225 291 D C 1.479 177.831 176.300 0.088 0.000 1.096 291 D CA 0.739 54.794 54.000 0.091 0.000 0.844 291 D CB 0.269 41.139 40.800 0.116 0.000 0.925 291 D HN 0.413 nan 8.370 nan 0.000 0.513 292 G N -1.519 107.331 108.800 0.083 0.000 2.176 292 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 292 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 292 G C 0.523 175.482 174.900 0.098 0.000 0.979 292 G CA 0.412 45.553 45.100 0.069 0.000 0.641 292 G HN 0.882 nan 8.290 nan 0.000 0.530 293 Q N 0.263 120.161 119.800 0.164 0.000 2.373 293 Q HA 0.768 5.108 4.340 -0.000 0.000 0.255 293 Q C 0.539 176.695 176.000 0.261 0.000 0.980 293 Q CA 0.397 56.333 55.803 0.222 0.000 0.882 293 Q CB 0.510 29.445 28.738 0.328 0.000 1.249 293 Q HN 0.968 nan 8.270 nan 0.000 0.438 294 L N 0.979 122.343 121.223 0.234 0.000 2.352 294 L HA 0.531 4.871 4.340 -0.000 0.000 0.269 294 L C 0.496 177.557 176.870 0.317 0.000 1.034 294 L CA -1.118 53.842 54.840 0.199 0.000 0.806 294 L CB 2.062 44.181 42.059 0.099 0.000 1.244 294 L HN 0.793 nan 8.230 nan 0.000 0.447 295 S N 1.362 117.183 115.700 0.202 0.000 2.589 295 S HA 0.397 4.867 4.470 -0.000 0.000 0.265 295 S C -0.251 174.416 174.600 0.113 0.000 1.342 295 S CA -0.599 57.710 58.200 0.182 0.000 1.005 295 S CB 0.460 63.658 63.200 -0.004 0.000 0.909 295 S HN 0.621 nan 8.310 nan 0.000 0.555 296 R N -0.015 120.530 120.500 0.074 0.000 2.508 296 R HA 0.335 4.675 4.340 -0.000 0.000 0.283 296 R C -1.535 174.771 176.300 0.010 0.000 1.120 296 R CA -0.559 55.566 56.100 0.041 0.000 0.958 296 R CB 0.042 30.375 30.300 0.054 0.000 1.215 296 R HN 0.446 nan 8.270 nan 0.000 0.427 297 T N 2.220 116.776 114.554 0.004 0.000 2.916 297 T HA 0.089 4.439 4.350 -0.000 0.000 0.303 297 T C 1.226 175.946 174.700 0.035 0.000 1.025 297 T CA 0.802 62.916 62.100 0.024 0.000 1.142 297 T CB 0.945 69.835 68.868 0.037 0.000 0.947 297 T HN 0.732 nan 8.240 nan 0.000 0.544 298 T N -0.878 113.705 114.554 0.048 0.000 2.959 298 T HA 0.494 4.844 4.350 -0.000 0.000 0.254 298 T C 0.798 175.522 174.700 0.041 0.000 1.003 298 T CA 0.000 62.126 62.100 0.042 0.000 0.950 298 T CB 0.204 69.101 68.868 0.048 0.000 1.090 298 T HN 0.766 nan 8.240 nan 0.000 0.503 299 R N 0.000 120.530 120.500 0.049 0.000 2.786 299 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 299 R CA 0.000 56.126 56.100 0.042 0.000 0.921 299 R CB 0.000 30.325 30.300 0.041 0.000 0.687 299 R HN 0.000 nan 8.270 nan 0.000 0.535