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 2dv6_1_B DATA FIRST_RESID 24 DATA SEQUENCE HAPVVFTLRT GIAEGRMVYI GVGGDIDHKI NPTLVVHEGE TVQVNLVNGE DATA SEQUENCE GAQHDVVVDQ YAARSAIVNG KNASSTFSFV ASKVGEFNYY CSIAGHRQAG DATA SEQUENCE MEGNIQVLPG NRAEMKSSGA DITRDPADLP GPIGPRQAKT VRIDLETVEV DATA SEQUENCE KGQLDDNTTY TYWTFNGKVP GPFLRVRVGD TVELHLKNHK DSLMVHSVDF DATA SEQUENCE HGATGPGGAA AFTQTDPGEE TVVTFKALIP GIYVYHCATP SVPTHITNGM DATA SEQUENCE YGLLLVEPEG GLPQVDREFY VMQGEIYTVK SFGTSGEQEM DYEKLINEKP DATA SEQUENCE EYFLFNGSVG SLTRSHPLYA SVGETVRIFF GVGGPNFTSS FHVIGEIFDH DATA SEQUENCE VYSLGSVVSP PLIGVQTVSV PPGGATIVDF KIDRAGRYIL VDHALSRLEH DATA SEQUENCE GLVGFLNVDG PKNDSIMHEG PA 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 24 H HA 0.000 nan 4.556 nan 0.000 0.296 24 H C 0.000 175.499 175.328 0.285 0.000 0.993 24 H CA 0.000 56.206 56.048 0.263 0.000 1.023 24 H CB 0.000 29.924 29.762 0.271 0.000 1.292 25 A N 1.557 124.624 122.820 0.411 0.000 2.351 25 A HA 0.485 4.805 4.320 0.000 0.000 0.257 25 A C -2.201 175.415 177.584 0.053 0.000 1.087 25 A CA -0.992 51.162 52.037 0.195 0.000 0.798 25 A CB -0.606 18.425 19.000 0.052 0.000 1.033 25 A HN 0.326 nan 8.150 nan 0.000 0.488 26 P HA 0.130 nan 4.420 nan 0.000 0.264 26 P C -0.683 176.532 177.300 -0.142 0.000 1.179 26 P CA 0.084 63.124 63.100 -0.101 0.000 0.763 26 P CB 0.206 31.828 31.700 -0.131 0.000 0.806 27 V N 4.306 124.107 119.914 -0.189 0.000 2.432 27 V HA 0.149 4.270 4.120 0.000 0.000 0.271 27 V C 0.426 176.246 176.094 -0.457 0.000 1.046 27 V CA -0.253 61.866 62.300 -0.301 0.000 0.945 27 V CB 1.253 32.941 31.823 -0.225 0.000 0.992 27 V HN 0.218 nan 8.190 nan 0.000 0.471 28 V N 6.072 125.643 119.914 -0.572 0.000 2.459 28 V HA 0.568 4.688 4.120 0.000 0.000 0.295 28 V C -0.584 175.090 176.094 -0.699 0.000 1.029 28 V CA -0.460 61.556 62.300 -0.474 0.000 0.874 28 V CB 1.411 33.074 31.823 -0.267 0.000 0.985 28 V HN 0.671 nan 8.190 nan 0.000 0.438 29 F N 1.395 121.234 119.950 -0.184 0.000 2.520 29 F HA 0.614 5.142 4.527 0.000 0.000 0.322 29 F C 0.465 176.165 175.800 -0.167 0.000 1.103 29 F CA -0.563 57.335 58.000 -0.169 0.000 0.926 29 F CB 2.348 41.228 39.000 -0.199 0.000 1.154 29 F HN 0.303 nan 8.300 nan 0.000 0.453 30 T N 4.665 119.245 114.554 0.042 0.000 2.779 30 T HA 0.637 4.988 4.350 0.000 0.000 0.280 30 T C -0.566 174.137 174.700 0.005 0.000 0.987 30 T CA -0.543 61.554 62.100 -0.004 0.000 0.966 30 T CB 0.737 69.588 68.868 -0.029 0.000 0.933 30 T HN 0.325 nan 8.240 nan 0.000 0.442 31 L N 4.470 125.695 121.223 0.003 0.000 2.333 31 L HA 0.626 4.966 4.340 0.000 0.000 0.280 31 L C 0.436 177.355 176.870 0.082 0.000 1.004 31 L CA -1.090 53.774 54.840 0.040 0.000 0.820 31 L CB 1.550 43.608 42.059 -0.001 0.000 1.247 31 L HN 0.567 nan 8.230 nan 0.000 0.416 32 R N 0.488 121.034 120.500 0.076 0.000 2.668 32 R HA 0.680 5.020 4.340 0.000 0.000 0.279 32 R C -0.357 175.980 176.300 0.061 0.000 0.976 32 R CA -0.666 55.473 56.100 0.065 0.000 0.978 32 R CB 1.373 31.691 30.300 0.030 0.000 1.133 32 R HN 0.578 nan 8.270 nan 0.000 0.484 33 T N -1.128 113.418 114.554 -0.014 0.000 2.913 33 T HA 0.740 5.090 4.350 0.000 0.000 0.287 33 T C 0.454 175.094 174.700 -0.099 0.000 1.008 33 T CA -0.044 61.951 62.100 -0.174 0.000 1.067 33 T CB 1.615 70.175 68.868 -0.513 0.000 0.996 33 T HN 0.890 nan 8.240 nan 0.000 0.513 34 G N 0.644 109.372 108.800 -0.119 0.000 2.428 34 G HA2 0.487 4.447 3.960 0.000 0.000 0.304 34 G HA3 0.487 4.447 3.960 0.000 0.000 0.304 34 G C -1.980 172.888 174.900 -0.053 0.000 1.303 34 G CA -1.042 44.029 45.100 -0.049 0.000 0.825 34 G HN 0.787 nan 8.290 nan 0.000 0.484 35 I N 1.222 121.779 120.570 -0.021 0.000 2.354 35 I HA 0.745 4.915 4.170 0.000 0.000 0.292 35 I C 0.472 176.587 176.117 -0.003 0.000 0.989 35 I CA -0.225 61.063 61.300 -0.021 0.000 1.188 35 I CB 1.584 39.575 38.000 -0.015 0.000 1.342 35 I HN 0.959 nan 8.210 nan 0.000 0.457 36 A N 3.805 126.624 122.820 -0.001 0.000 2.589 36 A HA 0.656 4.976 4.320 0.000 0.000 0.296 36 A C 0.009 177.599 177.584 0.011 0.000 1.062 36 A CA -0.580 51.465 52.037 0.014 0.000 0.686 36 A CB 0.797 19.815 19.000 0.030 0.000 1.282 36 A HN 0.728 nan 8.150 nan 0.000 0.404 37 E N 0.112 120.320 120.200 0.014 0.000 2.365 37 E HA -0.244 4.106 4.350 0.000 0.000 0.237 37 E C 1.104 177.706 176.600 0.003 0.000 1.238 37 E CA 1.855 58.261 56.400 0.010 0.000 0.718 37 E CB -1.336 28.372 29.700 0.014 0.000 1.218 37 E HN 2.442 nan 8.360 nan 0.000 0.387 38 G N -0.786 108.014 108.800 -0.000 0.000 2.179 38 G HA2 -0.361 3.599 3.960 0.000 0.000 0.260 38 G HA3 -0.361 3.599 3.960 0.000 0.000 0.260 38 G C 0.234 175.128 174.900 -0.011 0.000 0.977 38 G CA 0.607 45.704 45.100 -0.005 0.000 0.641 38 G HN 0.321 nan 8.290 nan 0.000 0.533 39 R N -1.193 119.298 120.500 -0.015 0.000 2.905 39 R HA 0.758 5.098 4.340 0.000 0.000 0.260 39 R C -0.062 176.211 176.300 -0.045 0.000 1.086 39 R CA -0.939 55.144 56.100 -0.028 0.000 0.978 39 R CB 1.002 31.288 30.300 -0.023 0.000 1.215 39 R HN 0.192 nan 8.270 nan 0.000 0.480 40 M N 2.499 122.056 119.600 -0.072 0.000 2.120 40 M HA 0.429 4.909 4.480 0.000 0.000 0.354 40 M C -1.022 175.193 176.300 -0.140 0.000 1.287 40 M CA -0.370 54.860 55.300 -0.116 0.000 1.103 40 M CB 0.705 33.205 32.600 -0.166 0.000 1.623 40 M HN 0.550 nan 8.290 nan 0.000 0.471 41 V N 2.192 122.004 119.914 -0.170 0.000 3.226 41 V HA 0.583 4.703 4.120 0.000 0.000 0.304 41 V C -1.805 174.156 176.094 -0.222 0.000 1.336 41 V CA -1.069 61.142 62.300 -0.150 0.000 1.066 41 V CB 1.655 33.466 31.823 -0.020 0.000 1.087 41 V HN 0.790 nan 8.190 nan 0.000 0.451 42 Y N 0.713 121.033 120.300 0.033 0.000 2.352 42 Y HA 0.809 5.360 4.550 0.000 0.000 0.326 42 Y C 0.229 176.161 175.900 0.053 0.000 1.166 42 Y CA -0.632 57.499 58.100 0.052 0.000 1.182 42 Y CB 1.719 40.281 38.460 0.170 0.000 1.216 42 Y HN 0.512 nan 8.280 nan 0.000 0.474 43 I N 1.931 122.616 120.570 0.193 0.000 2.466 43 I HA 0.401 4.571 4.170 0.000 0.000 0.289 43 I C 0.440 176.598 176.117 0.068 0.000 1.026 43 I CA -0.927 60.441 61.300 0.112 0.000 1.078 43 I CB 1.867 39.908 38.000 0.069 0.000 1.249 43 I HN 0.768 nan 8.210 nan 0.000 0.429 44 G N 4.961 113.792 108.800 0.052 0.000 2.432 44 G HA2 0.414 4.375 3.960 0.000 0.000 0.239 44 G HA3 0.414 4.375 3.960 0.000 0.000 0.239 44 G C -0.480 174.379 174.900 -0.069 0.000 1.291 44 G CA -0.100 45.010 45.100 0.016 0.000 0.863 44 G HN 0.369 nan 8.290 nan 0.000 0.560 45 V N 2.589 122.466 119.914 -0.063 0.000 2.407 45 V HA 0.743 4.863 4.120 0.000 0.000 0.291 45 V C 0.894 176.935 176.094 -0.088 0.000 1.018 45 V CA 0.476 62.704 62.300 -0.121 0.000 0.842 45 V CB 0.411 32.181 31.823 -0.089 0.000 0.996 45 V HN 1.749 nan 8.190 nan 0.000 0.426 46 G N 3.841 112.580 108.800 -0.102 0.000 2.806 46 G HA2 0.316 4.277 3.960 0.000 0.000 0.236 46 G HA3 0.316 4.277 3.960 0.000 0.000 0.236 46 G C 0.641 175.500 174.900 -0.068 0.000 1.387 46 G CA -0.165 44.882 45.100 -0.088 0.000 0.884 46 G HN 2.323 nan 8.290 nan 0.000 0.560 47 G N -0.548 108.190 108.800 -0.103 0.000 2.564 47 G HA2 0.053 4.013 3.960 0.000 0.000 0.273 47 G HA3 0.053 4.013 3.960 0.000 0.000 0.273 47 G C 0.666 175.557 174.900 -0.015 0.000 1.242 47 G CA 1.258 46.308 45.100 -0.083 0.000 0.951 47 G HN 2.464 nan 8.290 nan 0.000 0.564 48 D N 0.274 120.692 120.400 0.030 0.000 2.319 48 D HA 0.166 4.806 4.640 0.000 0.000 0.230 48 D C 1.768 178.117 176.300 0.081 0.000 1.094 48 D CA 0.931 54.967 54.000 0.060 0.000 0.856 48 D CB -0.372 40.471 40.800 0.073 0.000 0.915 48 D HN 1.086 nan 8.370 nan 0.000 0.517 49 I N -3.936 116.684 120.570 0.084 0.000 4.147 49 I HA 0.317 4.487 4.170 0.000 0.000 0.329 49 I C -0.179 175.970 176.117 0.053 0.000 1.424 49 I CA -0.661 60.688 61.300 0.083 0.000 1.127 49 I CB 0.155 38.221 38.000 0.111 0.000 1.128 49 I HN -0.340 nan 8.210 nan 0.000 0.417 50 D N 2.323 122.745 120.400 0.036 0.000 2.472 50 D HA -0.063 4.577 4.640 0.000 0.000 0.248 50 D C 0.939 177.283 176.300 0.074 0.000 1.174 50 D CA 1.155 55.152 54.000 -0.005 0.000 0.883 50 D CB 0.078 40.898 40.800 0.033 0.000 1.149 50 D HN 0.340 nan 8.370 nan 0.000 0.488 51 H N 0.909 120.002 119.070 0.038 0.000 3.395 51 H HA -0.192 4.365 4.556 0.001 0.000 0.222 51 H C -0.192 175.162 175.328 0.043 0.000 1.099 51 H CA 1.020 57.090 56.048 0.037 0.000 1.182 51 H CB -1.104 28.675 29.762 0.028 0.000 1.188 51 H HN 0.533 nan 8.280 nan 0.000 0.317 52 K N 0.904 121.375 120.400 0.118 0.000 2.249 52 K HA 0.380 4.700 4.320 0.000 0.000 0.280 52 K C 0.830 177.490 176.600 0.100 0.000 1.033 52 K CA -0.331 56.016 56.287 0.100 0.000 0.946 52 K CB 1.238 33.789 32.500 0.084 0.000 1.005 52 K HN 0.076 nan 8.250 nan 0.000 0.469 53 I N 2.976 123.603 120.570 0.094 0.000 2.474 53 I HA -0.061 4.110 4.170 0.000 0.000 0.287 53 I C 0.151 176.336 176.117 0.113 0.000 1.048 53 I CA 0.020 61.379 61.300 0.098 0.000 1.383 53 I CB 0.387 38.431 38.000 0.072 0.000 1.412 53 I HN 0.738 nan 8.210 nan 0.000 0.531 54 N N 4.860 123.661 118.700 0.169 0.000 2.678 54 N HA -0.154 4.586 4.740 0.000 0.000 0.268 54 N C -2.427 173.189 175.510 0.177 0.000 1.010 54 N CA -0.412 52.763 53.050 0.209 0.000 0.784 54 N CB -1.065 37.486 38.487 0.107 0.000 0.905 54 N HN 0.399 nan 8.380 nan 0.000 0.552 55 P HA 0.032 nan 4.420 nan 0.000 0.272 55 P C -0.139 177.243 177.300 0.136 0.000 1.223 55 P CA 0.109 63.284 63.100 0.126 0.000 0.784 55 P CB 0.699 32.449 31.700 0.083 0.000 0.923 56 T N 3.154 117.747 114.554 0.066 0.000 2.761 56 T HA 0.261 4.611 4.350 0.000 0.000 0.296 56 T C 0.350 175.011 174.700 -0.065 0.000 0.934 56 T CA -0.177 61.947 62.100 0.040 0.000 1.091 56 T CB -0.264 68.619 68.868 0.024 0.000 0.896 56 T HN 0.177 nan 8.240 nan 0.000 0.515 57 L N 4.498 125.613 121.223 -0.180 0.000 2.268 57 L HA 0.464 4.804 4.340 0.000 0.000 0.289 57 L C 0.383 177.072 176.870 -0.302 0.000 1.064 57 L CA -0.908 53.559 54.840 -0.621 0.000 0.824 57 L CB 0.552 41.931 42.059 -1.132 0.000 1.202 57 L HN 0.374 nan 8.230 nan 0.000 0.433 58 V N 5.344 125.205 119.914 -0.087 0.000 2.407 58 V HA 0.669 4.789 4.120 0.000 0.000 0.278 58 V C -0.292 175.881 176.094 0.131 0.000 1.037 58 V CA -0.049 62.267 62.300 0.026 0.000 0.900 58 V CB 1.850 33.681 31.823 0.015 0.000 0.983 58 V HN 0.483 nan 8.190 nan 0.000 0.459 59 V N 6.088 126.024 119.914 0.036 0.000 3.130 59 V HA 0.635 4.755 4.120 0.000 0.000 0.310 59 V C -0.821 175.223 176.094 -0.083 0.000 1.158 59 V CA -0.730 61.623 62.300 0.088 0.000 1.029 59 V CB 2.617 34.509 31.823 0.115 0.000 1.057 59 V HN 1.010 nan 8.190 nan 0.000 0.436 60 H N 1.042 120.164 119.070 0.087 0.000 2.621 60 H HA 0.370 4.927 4.556 0.000 0.000 0.360 60 H C -0.418 174.954 175.328 0.075 0.000 1.163 60 H CA -0.588 55.509 56.048 0.081 0.000 1.194 60 H CB 2.040 31.841 29.762 0.066 0.000 1.649 60 H HN 0.714 nan 8.280 nan 0.000 0.532 61 E N 0.487 120.807 120.200 0.200 0.000 2.529 61 E HA -0.008 4.342 4.350 0.000 0.000 0.259 61 E C 0.757 177.425 176.600 0.115 0.000 0.966 61 E CA 1.122 57.614 56.400 0.153 0.000 0.937 61 E CB 0.168 29.953 29.700 0.141 0.000 0.923 61 E HN 0.953 nan 8.360 nan 0.000 0.468 62 G N 3.713 112.567 108.800 0.089 0.000 2.234 62 G HA2 -0.330 3.631 3.960 0.000 0.000 0.260 62 G HA3 -0.330 3.631 3.960 0.000 0.000 0.260 62 G C 0.036 174.941 174.900 0.009 0.000 0.987 62 G CA 0.418 45.545 45.100 0.045 0.000 0.625 62 G HN 0.637 nan 8.290 nan 0.000 0.532 63 E N 1.337 121.548 120.200 0.018 0.000 2.413 63 E HA 0.359 4.709 4.350 0.000 0.000 0.263 63 E C 0.118 176.648 176.600 -0.116 0.000 1.015 63 E CA 0.509 56.894 56.400 -0.027 0.000 0.916 63 E CB 0.401 30.108 29.700 0.012 0.000 0.947 63 E HN 0.186 nan 8.360 nan 0.000 0.440 64 T N 2.497 116.967 114.554 -0.139 0.000 2.761 64 T HA 0.201 4.552 4.350 0.000 0.000 0.296 64 T C -0.177 174.328 174.700 -0.325 0.000 0.934 64 T CA -0.510 61.452 62.100 -0.230 0.000 1.091 64 T CB 0.491 69.261 68.868 -0.162 0.000 0.896 64 T HN 0.093 nan 8.240 nan 0.000 0.515 65 V N 4.643 124.198 119.914 -0.599 0.000 2.427 65 V HA 0.407 4.527 4.120 0.000 0.000 0.286 65 V C 0.128 175.849 176.094 -0.622 0.000 1.034 65 V CA -0.752 61.165 62.300 -0.638 0.000 0.893 65 V CB 1.522 32.713 31.823 -1.053 0.000 0.982 65 V HN 0.813 nan 8.190 nan 0.000 0.452 66 Q N 3.652 123.216 119.800 -0.395 0.000 2.333 66 Q HA 0.670 5.010 4.340 0.000 0.000 0.267 66 Q C -1.777 174.017 176.000 -0.344 0.000 1.012 66 Q CA -0.493 55.082 55.803 -0.381 0.000 0.824 66 Q CB 2.163 30.740 28.738 -0.268 0.000 1.290 66 Q HN 0.584 nan 8.270 nan 0.000 0.449 67 V N 4.428 124.010 119.914 -0.555 0.000 2.448 67 V HA 0.394 4.514 4.120 0.000 0.000 0.295 67 V C -0.675 175.271 176.094 -0.246 0.000 1.025 67 V CA -0.995 61.053 62.300 -0.419 0.000 0.859 67 V CB 1.699 33.151 31.823 -0.618 0.000 0.988 67 V HN 0.766 nan 8.190 nan 0.000 0.431 68 N N 5.134 123.772 118.700 -0.103 0.000 2.425 68 N HA 0.433 5.173 4.740 0.000 0.000 0.268 68 N C -0.959 174.566 175.510 0.026 0.000 0.991 68 N CA -0.354 52.682 53.050 -0.024 0.000 0.931 68 N CB 2.464 40.928 38.487 -0.039 0.000 1.130 68 N HN 0.547 nan 8.380 nan 0.000 0.493 69 L N 2.744 124.020 121.223 0.089 0.000 2.296 69 L HA 0.511 4.851 4.340 0.000 0.000 0.286 69 L C -1.108 175.822 176.870 0.100 0.000 1.023 69 L CA -0.731 54.180 54.840 0.117 0.000 0.812 69 L CB 1.340 43.508 42.059 0.182 0.000 1.223 69 L HN 0.132 nan 8.230 nan 0.000 0.421 70 V N 4.566 124.534 119.914 0.090 0.000 2.487 70 V HA 0.298 4.418 4.120 0.000 0.000 0.298 70 V C 0.146 176.291 176.094 0.086 0.000 1.028 70 V CA -0.958 61.387 62.300 0.075 0.000 0.860 70 V CB 1.716 33.567 31.823 0.047 0.000 0.991 70 V HN 0.711 nan 8.190 nan 0.000 0.427 71 N N 3.289 122.051 118.700 0.103 0.000 2.452 71 N HA 0.141 4.881 4.740 0.000 0.000 0.266 71 N C 1.015 176.580 175.510 0.092 0.000 1.175 71 N CA 0.849 53.979 53.050 0.134 0.000 0.945 71 N CB 1.983 40.568 38.487 0.163 0.000 1.063 71 N HN 0.826 nan 8.380 nan 0.000 0.472 72 G N 2.904 111.749 108.800 0.074 0.000 2.437 72 G HA2 -0.136 3.824 3.960 0.000 0.000 0.212 72 G HA3 -0.136 3.824 3.960 0.000 0.000 0.212 72 G C 0.925 175.862 174.900 0.062 0.000 1.174 72 G CA 0.291 45.422 45.100 0.052 0.000 0.811 72 G HN 0.690 nan 8.290 nan 0.000 0.537 73 E N -0.384 119.867 120.200 0.086 0.000 2.514 73 E HA 0.245 4.595 4.350 0.000 0.000 0.215 73 E C 1.350 177.998 176.600 0.079 0.000 0.946 73 E CA 1.028 57.472 56.400 0.074 0.000 1.038 73 E CB 0.073 29.809 29.700 0.060 0.000 1.069 73 E HN 0.770 nan 8.360 nan 0.000 0.503 74 G N 0.880 109.745 108.800 0.107 0.000 2.168 74 G HA2 -0.129 3.831 3.960 0.000 0.000 0.197 74 G HA3 -0.129 3.831 3.960 0.000 0.000 0.197 74 G C 0.462 175.381 174.900 0.032 0.000 0.997 74 G CA 0.094 45.235 45.100 0.067 0.000 0.658 74 G HN 0.694 nan 8.290 nan 0.000 0.513 75 A N -0.339 122.497 122.820 0.027 0.000 2.257 75 A HA 0.783 5.103 4.320 0.000 0.000 0.289 75 A C 0.538 177.906 177.584 -0.360 0.000 1.095 75 A CA 0.341 52.307 52.037 -0.117 0.000 0.836 75 A CB 0.546 19.494 19.000 -0.087 0.000 1.111 75 A HN 0.648 nan 8.150 nan 0.000 0.497 76 Q N 0.338 119.946 119.800 -0.321 0.000 2.304 76 Q HA 0.364 4.704 4.340 0.000 0.000 0.260 76 Q C -1.060 174.634 176.000 -0.510 0.000 0.965 76 Q CA 0.065 55.686 55.803 -0.302 0.000 0.898 76 Q CB 0.264 28.895 28.738 -0.178 0.000 1.196 76 Q HN 0.823 nan 8.270 nan 0.000 0.402 77 H N 1.872 120.975 119.070 0.055 0.000 3.008 77 H HA 0.369 4.926 4.556 0.000 0.000 0.354 77 H C -1.138 174.223 175.328 0.056 0.000 1.252 77 H CA -0.719 55.375 56.048 0.077 0.000 1.117 77 H CB 1.872 31.707 29.762 0.121 0.000 1.857 77 H HN 0.822 nan 8.280 nan 0.000 0.547 78 D N -0.592 119.942 120.400 0.224 0.000 2.812 78 D HA 0.489 5.129 4.640 0.000 0.000 0.318 78 D C -1.123 175.295 176.300 0.197 0.000 1.234 78 D CA -0.718 53.362 54.000 0.133 0.000 0.989 78 D CB 1.173 41.971 40.800 -0.004 0.000 1.442 78 D HN 0.215 nan 8.370 nan 0.000 0.537 79 V N -0.307 119.630 119.914 0.038 0.000 2.686 79 V HA 0.588 4.708 4.120 0.000 0.000 0.306 79 V C -0.752 175.194 176.094 -0.247 0.000 1.065 79 V CA -0.779 61.533 62.300 0.020 0.000 0.894 79 V CB 1.837 33.709 31.823 0.080 0.000 1.004 79 V HN 0.569 nan 8.190 nan 0.000 0.424 80 V N 4.907 124.613 119.914 -0.346 0.000 2.483 80 V HA 0.448 4.568 4.120 0.000 0.000 0.297 80 V C -0.282 175.610 176.094 -0.337 0.000 1.027 80 V CA -0.707 61.292 62.300 -0.502 0.000 0.855 80 V CB 2.127 33.464 31.823 -0.811 0.000 0.995 80 V HN 0.615 nan 8.190 nan 0.000 0.424 81 V N 3.377 123.192 119.914 -0.166 0.000 2.385 81 V HA 0.220 4.341 4.120 0.000 0.000 0.269 81 V C 0.178 176.292 176.094 0.033 0.000 1.043 81 V CA -0.384 61.887 62.300 -0.048 0.000 0.906 81 V CB 1.314 32.986 31.823 -0.251 0.000 0.995 81 V HN 0.952 nan 8.190 nan 0.000 0.467 82 D N 4.146 124.670 120.400 0.207 0.000 2.417 82 D HA 0.242 4.882 4.640 0.000 0.000 0.250 82 D C 0.819 177.222 176.300 0.172 0.000 1.166 82 D CA 0.793 54.948 54.000 0.259 0.000 0.881 82 D CB 0.524 41.515 40.800 0.318 0.000 1.164 82 D HN 0.702 nan 8.370 nan 0.000 0.467 83 Q N 1.452 121.294 119.800 0.071 0.000 5.138 83 Q HA -0.310 4.030 4.340 0.000 0.000 0.254 83 Q C 0.802 176.651 176.000 -0.253 0.000 1.380 83 Q CA 1.190 56.961 55.803 -0.053 0.000 0.811 83 Q CB -1.454 27.306 28.738 0.036 0.000 0.637 83 Q HN 0.683 nan 8.270 nan 0.000 0.991 84 Y N 0.299 120.448 120.300 -0.252 0.000 2.546 84 Y HA 0.299 4.849 4.550 0.000 0.000 0.287 84 Y C 1.311 177.105 175.900 -0.176 0.000 1.158 84 Y CA 0.817 58.741 58.100 -0.294 0.000 1.307 84 Y CB 0.459 38.573 38.460 -0.577 0.000 1.036 84 Y HN 0.349 nan 8.280 nan 0.000 0.532 85 A N 0.542 123.352 122.820 -0.017 0.000 2.511 85 A HA -0.047 4.273 4.320 0.000 0.000 0.297 85 A C 0.437 178.005 177.584 -0.026 0.000 1.476 85 A CA 0.671 52.694 52.037 -0.023 0.000 0.757 85 A CB -1.763 17.229 19.000 -0.013 0.000 1.072 85 A HN 0.540 nan 8.150 nan 0.000 0.413 86 A N 0.552 123.333 122.820 -0.064 0.000 2.343 86 A HA 0.898 5.218 4.320 0.000 0.000 0.316 86 A C 0.113 177.523 177.584 -0.291 0.000 1.104 86 A CA -0.042 51.979 52.037 -0.026 0.000 0.768 86 A CB 1.011 20.103 19.000 0.152 0.000 1.213 86 A HN 1.772 nan 8.150 nan 0.000 0.456 87 R N 0.415 120.576 120.500 -0.564 0.000 2.764 87 R HA 0.740 5.080 4.340 0.000 0.000 0.270 87 R C -0.351 175.193 176.300 -1.260 0.000 1.014 87 R CA -0.160 55.358 56.100 -0.970 0.000 0.904 87 R CB 1.174 31.192 30.300 -0.470 0.000 1.236 87 R HN 0.788 nan 8.270 nan 0.000 0.466 88 S N 0.958 115.965 115.700 -1.155 0.000 2.632 88 S HA 0.657 5.127 4.470 0.000 0.000 0.267 88 S C 0.518 174.985 174.600 -0.221 0.000 1.276 88 S CA -0.389 57.526 58.200 -0.474 0.000 0.998 88 S CB 1.228 64.359 63.200 -0.115 0.000 0.953 88 S HN 0.861 nan 8.310 nan 0.000 0.547 89 A N 1.180 123.954 122.820 -0.076 0.000 2.386 89 A HA 0.475 4.795 4.320 0.000 0.000 0.246 89 A C 0.330 177.901 177.584 -0.021 0.000 1.089 89 A CA -0.662 51.349 52.037 -0.044 0.000 0.790 89 A CB -0.449 18.546 19.000 -0.009 0.000 1.042 89 A HN 0.845 nan 8.150 nan 0.000 0.497 90 I N 0.809 121.368 120.570 -0.017 0.000 2.556 90 I HA 0.224 4.394 4.170 0.000 0.000 0.284 90 I C 0.065 176.196 176.117 0.024 0.000 1.114 90 I CA 0.019 61.319 61.300 0.001 0.000 1.418 90 I CB 1.006 38.994 38.000 -0.021 0.000 1.394 90 I HN 0.461 nan 8.210 nan 0.000 0.552 91 V N 4.020 123.968 119.914 0.058 0.000 2.398 91 V HA 0.469 4.590 4.120 0.000 0.000 0.286 91 V C 0.166 176.291 176.094 0.052 0.000 1.026 91 V CA -0.600 61.741 62.300 0.068 0.000 0.868 91 V CB 1.365 33.252 31.823 0.107 0.000 0.982 91 V HN 0.711 nan 8.190 nan 0.000 0.443 92 N N 3.455 122.172 118.700 0.030 0.000 2.511 92 N HA 0.194 4.934 4.740 0.000 0.000 0.190 92 N C 0.904 176.424 175.510 0.018 0.000 1.037 92 N CA 1.065 54.118 53.050 0.005 0.000 0.895 92 N CB 0.640 39.124 38.487 -0.004 0.000 1.149 92 N HN 0.842 nan 8.380 nan 0.000 0.437 93 G N 0.697 109.515 108.800 0.030 0.000 2.488 93 G HA2 0.276 4.236 3.960 0.000 0.000 0.318 93 G HA3 0.276 4.236 3.960 0.000 0.000 0.318 93 G C -0.322 174.609 174.900 0.053 0.000 1.188 93 G CA -0.434 44.686 45.100 0.034 0.000 0.944 93 G HN -0.015 nan 8.290 nan 0.000 0.495 94 K N 0.539 120.970 120.400 0.051 0.000 2.530 94 K HA -0.092 4.229 4.320 0.000 0.000 0.280 94 K C 0.436 177.065 176.600 0.049 0.000 1.004 94 K CA 0.681 57.001 56.287 0.055 0.000 1.071 94 K CB 0.087 32.614 32.500 0.045 0.000 0.876 94 K HN 0.600 nan 8.250 nan 0.000 0.487 95 N N -0.249 118.483 118.700 0.053 0.000 2.951 95 N HA -0.210 4.530 4.740 0.000 0.000 0.213 95 N C -0.599 174.939 175.510 0.047 0.000 0.877 95 N CA 1.434 54.511 53.050 0.045 0.000 1.042 95 N CB -1.564 36.944 38.487 0.035 0.000 1.005 95 N HN 0.685 nan 8.380 nan 0.000 0.604 96 A N 0.734 123.585 122.820 0.053 0.000 2.567 96 A HA 0.456 4.776 4.320 0.000 0.000 0.240 96 A C 0.509 178.131 177.584 0.063 0.000 1.053 96 A CA 0.880 52.948 52.037 0.052 0.000 0.755 96 A CB 0.235 19.266 19.000 0.051 0.000 0.978 96 A HN 0.270 nan 8.150 nan 0.000 0.507 97 S N 0.602 116.334 115.700 0.054 0.000 2.599 97 S HA 0.792 5.262 4.470 0.000 0.000 0.287 97 S C -0.393 174.245 174.600 0.063 0.000 1.105 97 S CA -0.500 57.736 58.200 0.060 0.000 0.899 97 S CB 1.872 65.098 63.200 0.043 0.000 1.100 97 S HN 1.220 nan 8.310 nan 0.000 0.482 98 S N 1.356 117.106 115.700 0.083 0.000 2.566 98 S HA 0.704 5.174 4.470 0.000 0.000 0.273 98 S C -0.944 173.743 174.600 0.145 0.000 1.157 98 S CA -0.585 57.674 58.200 0.098 0.000 0.938 98 S CB 1.107 64.363 63.200 0.092 0.000 1.087 98 S HN 0.907 nan 8.310 nan 0.000 0.474 99 T N 1.946 116.582 114.554 0.136 0.000 2.888 99 T HA 0.888 5.239 4.350 0.000 0.000 0.284 99 T C -0.549 174.304 174.700 0.255 0.000 1.017 99 T CA -0.626 61.551 62.100 0.128 0.000 1.022 99 T CB 1.122 70.002 68.868 0.020 0.000 1.013 99 T HN 1.000 nan 8.240 nan 0.000 0.465 100 F N -0.976 118.969 119.950 -0.008 0.000 2.745 100 F HA 0.873 5.400 4.527 0.000 0.000 0.316 100 F C -0.946 174.858 175.800 0.007 0.000 1.155 100 F CA -1.112 56.892 58.000 0.008 0.000 0.937 100 F CB 1.074 40.091 39.000 0.028 0.000 1.361 100 F HN 0.916 nan 8.300 nan 0.000 0.472 101 S N 0.421 116.115 115.700 -0.010 0.000 2.607 101 S HA 0.927 5.397 4.470 0.000 0.000 0.273 101 S C -1.415 173.237 174.600 0.086 0.000 1.148 101 S CA -0.658 57.434 58.200 -0.179 0.000 0.833 101 S CB 2.351 65.446 63.200 -0.175 0.000 1.130 101 S HN 1.592 nan 8.310 nan 0.000 0.470 102 F N -1.753 118.125 119.950 -0.119 0.000 2.693 102 F HA 0.792 5.319 4.527 0.000 0.000 0.309 102 F C -1.743 173.973 175.800 -0.140 0.000 1.129 102 F CA -1.388 56.559 58.000 -0.088 0.000 0.948 102 F CB 0.772 39.711 39.000 -0.101 0.000 1.315 102 F HN 0.462 nan 8.300 nan 0.000 0.447 103 V N 2.180 122.114 119.914 0.033 0.000 2.432 103 V HA 0.609 4.730 4.120 0.000 0.000 0.275 103 V C 0.485 176.621 176.094 0.069 0.000 1.043 103 V CA -0.349 61.930 62.300 -0.035 0.000 0.925 103 V CB 1.115 32.955 31.823 0.029 0.000 0.985 103 V HN 1.060 nan 8.190 nan 0.000 0.466 104 A N 3.726 126.521 122.820 -0.042 0.000 3.037 104 A HA 0.331 4.651 4.320 0.000 0.000 0.272 104 A C 1.429 179.138 177.584 0.209 0.000 1.723 104 A CA 0.296 52.369 52.037 0.060 0.000 1.413 104 A CB -0.392 18.615 19.000 0.011 0.000 1.112 104 A HN 1.027 nan 8.150 nan 0.000 0.606 105 S N 0.501 116.393 115.700 0.321 0.000 2.496 105 S HA 0.063 4.533 4.470 0.000 0.000 0.224 105 S C 0.495 175.215 174.600 0.199 0.000 0.996 105 S CA 0.245 58.573 58.200 0.214 0.000 0.927 105 S CB -0.157 63.148 63.200 0.174 0.000 0.774 105 S HN 0.587 nan 8.310 nan 0.000 0.524 106 K N 2.504 123.065 120.400 0.267 0.000 2.358 106 K HA 0.579 4.900 4.320 0.000 0.000 0.260 106 K C -0.395 176.439 176.600 0.389 0.000 0.956 106 K CA -0.804 55.623 56.287 0.234 0.000 0.834 106 K CB 2.254 34.824 32.500 0.115 0.000 1.102 106 K HN 0.141 nan 8.250 nan 0.000 0.431 107 V N 0.374 120.458 119.914 0.284 0.000 2.963 107 V HA 0.770 4.891 4.120 0.000 0.000 0.306 107 V C 0.554 176.808 176.094 0.267 0.000 1.077 107 V CA 0.887 63.347 62.300 0.267 0.000 1.124 107 V CB 0.227 32.139 31.823 0.148 0.000 0.987 107 V HN 0.983 nan 8.190 nan 0.000 0.487 108 G N 3.472 112.365 108.800 0.156 0.000 2.325 108 G HA2 0.134 4.095 3.960 0.000 0.000 0.285 108 G HA3 0.134 4.095 3.960 0.000 0.000 0.285 108 G C -1.119 173.570 174.900 -0.352 0.000 1.303 108 G CA -0.352 44.647 45.100 -0.167 0.000 0.970 108 G HN 0.996 nan 8.290 nan 0.000 0.490 109 E N -0.508 119.284 120.200 -0.680 0.000 2.187 109 E HA 0.641 4.992 4.350 0.000 0.000 0.268 109 E C -1.465 174.677 176.600 -0.764 0.000 0.896 109 E CA -0.423 55.693 56.400 -0.474 0.000 0.766 109 E CB 1.901 31.464 29.700 -0.228 0.000 1.142 109 E HN 0.307 nan 8.360 nan 0.000 0.408 110 F N 0.995 121.000 119.950 0.093 0.000 2.561 110 F HA 0.309 4.837 4.527 0.001 0.000 0.313 110 F C 0.223 176.087 175.800 0.106 0.000 1.126 110 F CA -0.961 57.104 58.000 0.109 0.000 0.918 110 F CB 1.370 40.483 39.000 0.188 0.000 1.199 110 F HN 0.274 nan 8.300 nan 0.000 0.444 111 N N 1.392 120.237 118.700 0.241 0.000 2.530 111 N HA 0.312 5.052 4.740 0.000 0.000 0.273 111 N C -1.358 174.326 175.510 0.290 0.000 1.173 111 N CA -0.466 52.685 53.050 0.168 0.000 0.967 111 N CB 0.725 39.284 38.487 0.120 0.000 1.109 111 N HN 0.616 nan 8.380 nan 0.000 0.453 112 Y N 0.124 120.527 120.300 0.172 0.000 2.468 112 Y HA 0.668 5.218 4.550 0.000 0.000 0.342 112 Y C -0.876 175.160 175.900 0.227 0.000 1.021 112 Y CA -1.294 56.869 58.100 0.105 0.000 1.079 112 Y CB 0.762 39.196 38.460 -0.045 0.000 1.226 112 Y HN 0.583 nan 8.280 nan 0.000 0.460 113 Y N 0.350 120.802 120.300 0.254 0.000 2.656 113 Y HA 0.577 5.128 4.550 0.000 0.000 0.334 113 Y C -1.516 174.601 175.900 0.361 0.000 1.179 113 Y CA -2.203 56.063 58.100 0.276 0.000 1.050 113 Y CB 0.577 39.113 38.460 0.127 0.000 1.308 113 Y HN 1.032 nan 8.280 nan 0.000 0.456 114 C N 2.413 122.002 119.300 0.481 0.000 2.369 114 C HA 0.545 5.005 4.460 0.000 0.000 0.358 114 C C 1.553 176.722 174.990 0.299 0.000 1.274 114 C CA 0.518 59.731 59.018 0.324 0.000 1.935 114 C CB 0.107 28.038 27.740 0.318 0.000 2.431 114 C HN 0.997 nan 8.230 nan 0.000 0.545 115 S N 5.683 121.464 115.700 0.134 0.000 2.548 115 S HA 0.156 4.627 4.470 0.000 0.000 0.215 115 S C 0.577 175.201 174.600 0.040 0.000 0.976 115 S CA -0.007 58.289 58.200 0.161 0.000 0.908 115 S CB -0.317 62.930 63.200 0.078 0.000 0.781 115 S HN 0.689 nan 8.310 nan 0.000 0.519 116 I N 3.131 123.655 120.570 -0.078 0.000 2.752 116 I HA 0.193 4.363 4.170 0.000 0.000 0.287 116 I C 1.149 177.121 176.117 -0.241 0.000 1.188 116 I CA -0.781 60.349 61.300 -0.283 0.000 1.427 116 I CB -0.706 36.907 38.000 -0.644 0.000 1.365 116 I HN 0.318 nan 8.210 nan 0.000 0.585 117 A N 4.945 127.672 122.820 -0.155 0.000 2.561 117 A HA 0.397 4.718 4.320 0.000 0.000 0.251 117 A C 1.343 178.952 177.584 0.042 0.000 1.062 117 A CA 0.674 52.688 52.037 -0.038 0.000 0.761 117 A CB -0.669 18.316 19.000 -0.025 0.000 0.986 117 A HN 1.424 nan 8.150 nan 0.000 0.510 118 G N 1.584 110.440 108.800 0.094 0.000 2.258 118 G HA2 -0.281 3.680 3.960 0.000 0.000 0.233 118 G HA3 -0.281 3.680 3.960 0.000 0.000 0.233 118 G C 0.881 175.910 174.900 0.215 0.000 1.006 118 G CA 0.726 45.910 45.100 0.141 0.000 0.620 118 G HN 0.914 nan 8.290 nan 0.000 0.511 119 H N 0.197 119.296 119.070 0.048 0.000 2.389 119 H HA -0.008 4.548 4.556 0.001 0.000 0.299 119 H C 2.701 178.063 175.328 0.056 0.000 1.081 119 H CA 1.315 57.399 56.048 0.059 0.000 1.345 119 H CB 0.194 30.014 29.762 0.098 0.000 1.393 119 H HN 0.473 nan 8.280 nan 0.000 0.520 120 R N 1.530 122.157 120.500 0.212 0.000 2.081 120 R HA -0.139 4.202 4.340 0.000 0.000 0.235 120 R C 2.104 178.444 176.300 0.067 0.000 1.131 120 R CA 1.548 57.736 56.100 0.146 0.000 0.960 120 R CB 0.017 30.395 30.300 0.131 0.000 0.856 120 R HN 0.355 nan 8.270 nan 0.000 0.436 121 Q N -0.361 119.471 119.800 0.053 0.000 2.167 121 Q HA -0.019 4.321 4.340 0.000 0.000 0.202 121 Q C 2.031 178.041 176.000 0.018 0.000 0.970 121 Q CA 1.373 57.190 55.803 0.023 0.000 0.855 121 Q CB -0.041 28.709 28.738 0.020 0.000 0.911 121 Q HN 0.487 nan 8.270 nan 0.000 0.438 122 A N 0.044 122.879 122.820 0.025 0.000 2.172 122 A HA 0.129 4.449 4.320 0.000 0.000 0.216 122 A C 1.574 179.144 177.584 -0.023 0.000 1.154 122 A CA 1.261 53.292 52.037 -0.010 0.000 0.701 122 A CB -0.238 18.735 19.000 -0.046 0.000 0.789 122 A HN 0.499 nan 8.150 nan 0.000 0.465 123 G N -2.558 106.238 108.800 -0.006 0.000 2.273 123 G HA2 -0.120 3.840 3.960 0.000 0.000 0.162 123 G HA3 -0.120 3.840 3.960 0.000 0.000 0.162 123 G C 0.200 175.097 174.900 -0.004 0.000 1.006 123 G CA -0.062 45.031 45.100 -0.011 0.000 0.704 123 G HN 0.246 nan 8.290 nan 0.000 0.487 124 M N 1.722 121.320 119.600 -0.002 0.000 2.974 124 M HA 0.473 4.953 4.480 0.000 0.000 0.301 124 M C -0.068 176.371 176.300 0.231 0.000 1.409 124 M CA 0.586 55.870 55.300 -0.027 0.000 1.515 124 M CB 0.273 32.765 32.600 -0.180 0.000 1.163 124 M HN 0.316 nan 8.290 nan 0.000 0.520 125 E N 0.804 121.122 120.200 0.197 0.000 2.381 125 E HA 0.667 5.017 4.350 0.000 0.000 0.286 125 E C -1.327 175.135 176.600 -0.231 0.000 0.960 125 E CA -0.451 55.974 56.400 0.042 0.000 0.793 125 E CB 2.330 32.040 29.700 0.017 0.000 1.225 125 E HN 0.644 nan 8.360 nan 0.000 0.420 126 G N 2.038 110.350 108.800 -0.814 0.000 2.782 126 G HA2 0.438 4.398 3.960 0.000 0.000 0.304 126 G HA3 0.438 4.398 3.960 0.000 0.000 0.304 126 G C -1.379 173.095 174.900 -0.709 0.000 1.315 126 G CA -0.598 44.009 45.100 -0.821 0.000 0.791 126 G HN 0.408 nan 8.290 nan 0.000 0.519 127 N N -0.493 118.070 118.700 -0.229 0.000 2.269 127 N HA 0.538 5.278 4.740 0.000 0.000 0.304 127 N C -1.079 174.558 175.510 0.212 0.000 1.072 127 N CA -0.402 52.660 53.050 0.020 0.000 0.802 127 N CB 2.421 40.909 38.487 0.000 0.000 1.348 127 N HN 0.340 nan 8.380 nan 0.000 0.484 128 I N 1.187 121.911 120.570 0.258 0.000 2.321 128 I HA 0.205 4.375 4.170 0.000 0.000 0.291 128 I C 0.332 176.583 176.117 0.222 0.000 0.998 128 I CA -0.462 60.972 61.300 0.223 0.000 1.227 128 I CB 1.336 39.507 38.000 0.284 0.000 1.368 128 I HN 0.240 nan 8.210 nan 0.000 0.466 129 Q N 6.461 126.333 119.800 0.120 0.000 2.400 129 Q HA 0.418 4.759 4.340 0.000 0.000 0.255 129 Q C -1.494 174.567 176.000 0.102 0.000 1.008 129 Q CA -0.619 55.235 55.803 0.085 0.000 0.841 129 Q CB 1.480 30.230 28.738 0.019 0.000 1.220 129 Q HN 0.529 nan 8.270 nan 0.000 0.474 130 V N 6.503 126.538 119.914 0.200 0.000 2.334 130 V HA 0.279 4.399 4.120 0.000 0.000 0.267 130 V C 0.095 176.243 176.094 0.089 0.000 1.040 130 V CA -0.415 61.998 62.300 0.189 0.000 0.866 130 V CB 0.489 32.547 31.823 0.390 0.000 1.019 130 V HN 0.756 nan 8.190 nan 0.000 0.468 131 L N 7.786 128.972 121.223 -0.062 0.000 2.379 131 L HA 0.540 4.881 4.340 0.000 0.000 0.269 131 L C -1.905 174.990 176.870 0.042 0.000 1.084 131 L CA -1.791 52.999 54.840 -0.083 0.000 0.802 131 L CB 1.851 43.735 42.059 -0.291 0.000 1.175 131 L HN 0.382 nan 8.230 nan 0.000 0.448 132 P HA 0.257 nan 4.420 nan 0.000 0.276 132 P C 0.107 177.543 177.300 0.227 0.000 1.261 132 P CA 0.251 63.437 63.100 0.143 0.000 0.800 132 P CB 1.073 32.833 31.700 0.100 0.000 1.066 133 G N 0.863 109.765 108.800 0.171 0.000 2.645 133 G HA2 -0.186 3.774 3.960 0.000 0.000 0.239 133 G HA3 -0.186 3.774 3.960 0.000 0.000 0.239 133 G C -0.763 174.202 174.900 0.107 0.000 1.331 133 G CA -0.511 44.669 45.100 0.133 0.000 0.890 133 G HN 0.708 nan 8.290 nan 0.000 0.572 134 N N -0.032 118.632 118.700 -0.060 0.000 2.417 134 N HA 0.511 5.251 4.740 0.000 0.000 0.300 134 N C 0.504 175.640 175.510 -0.623 0.000 1.102 134 N CA -0.691 52.218 53.050 -0.235 0.000 0.886 134 N CB 1.630 40.062 38.487 -0.092 0.000 1.203 134 N HN 0.801 nan 8.380 nan 0.000 0.496 135 R N 0.774 120.827 120.500 -0.744 0.000 2.585 135 R HA 0.220 4.561 4.340 0.000 0.000 0.275 135 R C 0.102 176.267 176.300 -0.225 0.000 1.018 135 R CA -0.285 55.455 56.100 -0.600 0.000 1.072 135 R CB 0.232 30.413 30.300 -0.198 0.000 0.953 135 R HN 0.664 nan 8.270 nan 0.000 0.419 136 A N 4.034 126.788 122.820 -0.110 0.000 2.547 136 A HA 0.006 4.326 4.320 0.000 0.000 0.233 136 A C -0.162 177.403 177.584 -0.031 0.000 1.067 136 A CA -0.062 51.954 52.037 -0.036 0.000 0.763 136 A CB 0.174 19.180 19.000 0.010 0.000 1.007 136 A HN 0.763 nan 8.150 nan 0.000 0.506 137 E N 1.219 121.405 120.200 -0.023 0.000 2.398 137 E HA 0.112 4.463 4.350 0.000 0.000 0.263 137 E C 0.257 176.839 176.600 -0.030 0.000 1.046 137 E CA 0.137 56.519 56.400 -0.030 0.000 0.908 137 E CB 0.325 30.010 29.700 -0.026 0.000 0.963 137 E HN 0.607 nan 8.360 nan 0.000 0.431 138 M N 2.435 122.008 119.600 -0.045 0.000 2.248 138 M HA -0.054 4.426 4.480 0.000 0.000 0.343 138 M C 0.687 176.969 176.300 -0.029 0.000 1.243 138 M CA 1.100 56.377 55.300 -0.040 0.000 1.025 138 M CB 0.004 32.572 32.600 -0.054 0.000 1.759 138 M HN 0.307 nan 8.290 nan 0.000 0.452 139 K N 1.180 121.569 120.400 -0.019 0.000 2.509 139 K HA 0.840 5.160 4.320 0.000 0.000 0.266 139 K C -1.244 175.352 176.600 -0.007 0.000 0.987 139 K CA -0.802 55.478 56.287 -0.011 0.000 0.868 139 K CB 2.242 34.740 32.500 -0.004 0.000 1.421 139 K HN 0.793 nan 8.250 nan 0.000 0.444 140 S N -0.736 114.963 115.700 -0.002 0.000 2.655 140 S HA 0.176 4.646 4.470 0.000 0.000 0.266 140 S C 0.022 174.627 174.600 0.008 0.000 1.149 140 S CA -0.214 57.988 58.200 0.003 0.000 0.818 140 S CB 0.625 63.828 63.200 0.005 0.000 1.130 140 S HN 0.888 nan 8.310 nan 0.000 0.476 141 S N -0.429 115.278 115.700 0.012 0.000 2.650 141 S HA 0.408 4.878 4.470 0.000 0.000 0.219 141 S C 0.866 175.476 174.600 0.018 0.000 0.960 141 S CA 0.018 58.226 58.200 0.013 0.000 0.925 141 S CB -0.875 62.333 63.200 0.014 0.000 0.775 141 S HN 1.309 nan 8.310 nan 0.000 0.525 142 G N 0.548 109.362 108.800 0.023 0.000 2.437 142 G HA2 0.658 4.618 3.960 0.000 0.000 0.319 142 G HA3 0.658 4.618 3.960 0.000 0.000 0.319 142 G C -0.115 174.793 174.900 0.014 0.000 1.158 142 G CA -0.583 44.536 45.100 0.032 0.000 0.899 142 G HN 0.545 nan 8.290 nan 0.000 0.502 143 A N 0.430 123.256 122.820 0.009 0.000 2.425 143 A HA 0.416 4.737 4.320 0.000 0.000 0.242 143 A C 0.260 177.821 177.584 -0.039 0.000 1.077 143 A CA -0.186 51.843 52.037 -0.013 0.000 0.781 143 A CB 0.379 19.368 19.000 -0.018 0.000 1.020 143 A HN 0.640 nan 8.150 nan 0.000 0.494 144 D N 0.742 121.122 120.400 -0.032 0.000 2.338 144 D HA 0.259 4.899 4.640 0.000 0.000 0.255 144 D C 0.424 176.682 176.300 -0.070 0.000 1.237 144 D CA -0.194 53.784 54.000 -0.038 0.000 0.883 144 D CB 0.197 41.004 40.800 0.011 0.000 1.087 144 D HN 0.337 nan 8.370 nan 0.000 0.485 145 I N 0.783 121.254 120.570 -0.164 0.000 3.974 145 I HA 0.225 4.395 4.170 0.000 0.000 0.334 145 I C 0.430 176.438 176.117 -0.181 0.000 1.437 145 I CA -0.664 60.492 61.300 -0.238 0.000 1.113 145 I CB -0.595 37.095 38.000 -0.518 0.000 1.063 145 I HN 0.195 nan 8.210 nan 0.000 0.400 146 T N -0.635 113.881 114.554 -0.065 0.000 2.856 146 T HA 0.499 4.850 4.350 0.000 0.000 0.292 146 T C 0.128 174.831 174.700 0.005 0.000 0.980 146 T CA -0.567 61.536 62.100 0.005 0.000 1.091 146 T CB 1.443 70.394 68.868 0.138 0.000 0.936 146 T HN 0.375 nan 8.240 nan 0.000 0.503 147 R N 2.289 122.763 120.500 -0.043 0.000 2.298 147 R HA 0.162 4.502 4.340 0.000 0.000 0.310 147 R C -0.054 176.177 176.300 -0.113 0.000 1.068 147 R CA -0.401 55.647 56.100 -0.086 0.000 0.957 147 R CB 0.243 30.452 30.300 -0.152 0.000 1.003 147 R HN 0.743 nan 8.270 nan 0.000 0.454 148 D N 5.679 125.926 120.400 -0.255 0.000 2.417 148 D HA 0.009 4.649 4.640 0.000 0.000 0.250 148 D C -1.504 174.790 176.300 -0.009 0.000 1.166 148 D CA -1.632 52.191 54.000 -0.295 0.000 0.881 148 D CB 1.438 42.009 40.800 -0.381 0.000 1.164 148 D HN 0.420 nan 8.370 nan 0.000 0.467 149 P HA -0.033 nan 4.420 nan 0.000 0.230 149 P C 0.491 177.999 177.300 0.347 0.000 1.158 149 P CA 0.416 63.648 63.100 0.219 0.000 0.769 149 P CB 0.279 32.106 31.700 0.212 0.000 0.807 150 A N -0.332 122.647 122.820 0.264 0.000 2.308 150 A HA 0.050 4.371 4.320 0.000 0.000 0.217 150 A C 0.957 178.585 177.584 0.073 0.000 1.216 150 A CA 0.107 52.242 52.037 0.164 0.000 0.864 150 A CB -0.720 18.385 19.000 0.174 0.000 0.902 150 A HN -0.010 nan 8.150 nan 0.000 0.499 151 D N 1.480 121.941 120.400 0.102 0.000 2.517 151 D HA 0.393 5.033 4.640 0.000 0.000 0.220 151 D C -0.266 176.108 176.300 0.123 0.000 1.158 151 D CA 0.064 54.116 54.000 0.087 0.000 0.992 151 D CB -0.636 40.207 40.800 0.072 0.000 1.058 151 D HN 0.459 nan 8.370 nan 0.000 0.516 152 L N 0.266 121.485 121.223 -0.006 0.000 2.506 152 L HA 0.745 5.085 4.340 0.000 0.000 0.257 152 L C -2.721 174.068 176.870 -0.136 0.000 0.964 152 L CA -1.804 52.953 54.840 -0.137 0.000 0.836 152 L CB 1.700 43.403 42.059 -0.594 0.000 1.384 152 L HN -0.140 nan 8.230 nan 0.000 0.410 153 P HA 0.237 nan 4.420 nan 0.000 0.271 153 P C 0.083 177.314 177.300 -0.115 0.000 1.216 153 P CA 0.099 63.161 63.100 -0.063 0.000 0.776 153 P CB 1.116 32.815 31.700 -0.003 0.000 0.881 154 G N 2.687 111.438 108.800 -0.081 0.000 2.621 154 G HA2 0.368 4.328 3.960 0.000 0.000 0.271 154 G HA3 0.368 4.328 3.960 0.000 0.000 0.271 154 G C -2.472 172.402 174.900 -0.042 0.000 1.236 154 G CA -1.234 43.822 45.100 -0.074 0.000 0.958 154 G HN 0.355 nan 8.290 nan 0.000 0.512 155 P HA 0.033 nan 4.420 nan 0.000 0.263 155 P C 0.162 177.454 177.300 -0.013 0.000 1.175 155 P CA 0.293 63.389 63.100 -0.006 0.000 0.761 155 P CB 0.424 32.121 31.700 -0.005 0.000 0.794 156 I N 1.613 122.178 120.570 -0.008 0.000 2.779 156 I HA 0.108 4.279 4.170 0.000 0.000 0.285 156 I C 1.675 177.783 176.117 -0.014 0.000 1.134 156 I CA -0.059 61.232 61.300 -0.015 0.000 1.398 156 I CB 0.184 38.174 38.000 -0.016 0.000 1.404 156 I HN 0.399 nan 8.210 nan 0.000 0.587 157 G N 4.480 113.269 108.800 -0.017 0.000 2.771 157 G HA2 0.071 4.031 3.960 0.000 0.000 0.242 157 G HA3 0.071 4.031 3.960 0.000 0.000 0.242 157 G C -1.747 173.145 174.900 -0.013 0.000 1.233 157 G CA -0.691 44.400 45.100 -0.015 0.000 0.858 157 G HN 0.581 nan 8.290 nan 0.000 0.591 158 P HA 0.077 nan 4.420 nan 0.000 0.258 158 P C 0.489 177.782 177.300 -0.012 0.000 1.559 158 P CA -0.281 62.814 63.100 -0.009 0.000 0.855 158 P CB -0.297 31.399 31.700 -0.007 0.000 1.594 159 R N -0.774 119.717 120.500 -0.016 0.000 2.944 159 R HA 0.163 4.503 4.340 0.000 0.000 0.279 159 R C 0.493 176.781 176.300 -0.019 0.000 1.048 159 R CA -0.397 55.692 56.100 -0.019 0.000 1.196 159 R CB -0.354 29.932 30.300 -0.024 0.000 1.134 159 R HN -0.049 nan 8.270 nan 0.000 0.525 160 Q N 0.054 119.841 119.800 -0.022 0.000 2.212 160 Q HA 0.408 4.748 4.340 0.000 0.000 0.238 160 Q C -0.799 175.182 176.000 -0.031 0.000 0.955 160 Q CA -0.066 55.723 55.803 -0.023 0.000 0.906 160 Q CB 1.412 30.137 28.738 -0.022 0.000 1.215 160 Q HN 0.749 nan 8.270 nan 0.000 0.478 161 A N 2.549 125.349 122.820 -0.033 0.000 2.561 161 A HA 0.351 4.671 4.320 0.000 0.000 0.234 161 A C -0.314 177.239 177.584 -0.052 0.000 1.055 161 A CA 0.749 52.760 52.037 -0.044 0.000 0.756 161 A CB -0.265 18.710 19.000 -0.042 0.000 0.986 161 A HN 0.719 nan 8.150 nan 0.000 0.505 162 K N 0.194 120.554 120.400 -0.067 0.000 2.507 162 K HA 0.581 4.901 4.320 0.000 0.000 0.284 162 K C -1.112 175.429 176.600 -0.098 0.000 1.038 162 K CA -0.776 55.467 56.287 -0.073 0.000 0.903 162 K CB 0.875 33.337 32.500 -0.063 0.000 1.531 162 K HN 0.342 nan 8.250 nan 0.000 0.430 163 T N 1.436 115.932 114.554 -0.097 0.000 2.761 163 T HA 0.304 4.654 4.350 0.000 0.000 0.296 163 T C -0.581 174.047 174.700 -0.118 0.000 0.934 163 T CA -0.496 61.533 62.100 -0.120 0.000 1.091 163 T CB 0.653 69.460 68.868 -0.103 0.000 0.896 163 T HN 0.306 nan 8.240 nan 0.000 0.515 164 V N 4.761 124.582 119.914 -0.155 0.000 2.459 164 V HA 0.450 4.570 4.120 0.000 0.000 0.295 164 V C 0.430 176.433 176.094 -0.152 0.000 1.029 164 V CA -0.974 61.238 62.300 -0.146 0.000 0.874 164 V CB 1.693 33.416 31.823 -0.167 0.000 0.985 164 V HN 0.697 nan 8.190 nan 0.000 0.438 165 R N 4.423 124.859 120.500 -0.107 0.000 2.349 165 R HA 0.651 4.991 4.340 0.000 0.000 0.299 165 R C -1.240 175.012 176.300 -0.080 0.000 1.027 165 R CA -0.382 55.672 56.100 -0.076 0.000 0.958 165 R CB 0.892 31.149 30.300 -0.072 0.000 1.047 165 R HN 0.658 nan 8.270 nan 0.000 0.468 166 I N 3.145 123.684 120.570 -0.052 0.000 2.545 166 I HA 0.252 4.422 4.170 0.000 0.000 0.292 166 I C -0.645 175.495 176.117 0.037 0.000 1.040 166 I CA -0.717 60.557 61.300 -0.045 0.000 1.068 166 I CB 2.316 40.248 38.000 -0.113 0.000 1.251 166 I HN 0.416 nan 8.210 nan 0.000 0.424 167 D N 7.550 127.966 120.400 0.027 0.000 2.391 167 D HA 0.583 5.224 4.640 0.000 0.000 0.245 167 D C -0.843 175.508 176.300 0.086 0.000 1.069 167 D CA -0.247 53.793 54.000 0.067 0.000 0.831 167 D CB 2.678 43.491 40.800 0.021 0.000 1.204 167 D HN 0.228 nan 8.370 nan 0.000 0.503 168 L N 1.466 122.768 121.223 0.132 0.000 2.381 168 L HA 0.434 4.774 4.340 0.000 0.000 0.268 168 L C -0.001 176.991 176.870 0.204 0.000 0.997 168 L CA -0.726 54.221 54.840 0.178 0.000 0.818 168 L CB 2.740 44.916 42.059 0.195 0.000 1.310 168 L HN 0.228 nan 8.230 nan 0.000 0.416 169 E N 1.259 121.584 120.200 0.208 0.000 2.199 169 E HA 0.411 4.762 4.350 0.000 0.000 0.269 169 E C -1.100 175.596 176.600 0.160 0.000 0.899 169 E CA -0.600 55.905 56.400 0.174 0.000 0.772 169 E CB 1.939 31.724 29.700 0.142 0.000 1.155 169 E HN 0.618 nan 8.360 nan 0.000 0.408 170 T N 0.660 115.263 114.554 0.082 0.000 2.749 170 T HA 0.509 4.859 4.350 0.000 0.000 0.287 170 T C -0.122 174.499 174.700 -0.132 0.000 0.970 170 T CA -0.761 61.263 62.100 -0.127 0.000 0.980 170 T CB 0.884 69.604 68.868 -0.246 0.000 0.924 170 T HN 0.258 nan 8.240 nan 0.000 0.456 171 V N 0.590 120.402 119.914 -0.169 0.000 2.709 171 V HA 0.677 4.797 4.120 0.000 0.000 0.308 171 V C -0.864 175.154 176.094 -0.126 0.000 1.062 171 V CA -1.062 61.163 62.300 -0.126 0.000 0.901 171 V CB 1.941 33.702 31.823 -0.103 0.000 1.003 171 V HN 0.935 nan 8.190 nan 0.000 0.425 172 E N 3.108 123.246 120.200 -0.103 0.000 2.174 172 E HA 0.695 5.045 4.350 0.000 0.000 0.282 172 E C -1.041 175.582 176.600 0.038 0.000 0.992 172 E CA -0.500 55.911 56.400 0.019 0.000 0.803 172 E CB 2.243 31.900 29.700 -0.071 0.000 1.090 172 E HN 0.739 nan 8.360 nan 0.000 0.396 173 V N 3.210 123.193 119.914 0.116 0.000 2.932 173 V HA 0.226 4.347 4.120 0.000 0.000 0.307 173 V C -1.291 174.877 176.094 0.124 0.000 1.147 173 V CA -0.931 61.410 62.300 0.067 0.000 0.951 173 V CB 2.071 33.905 31.823 0.018 0.000 1.031 173 V HN 0.639 nan 8.190 nan 0.000 0.426 174 K N 4.323 124.771 120.400 0.079 0.000 2.315 174 K HA 0.547 4.867 4.320 0.000 0.000 0.291 174 K C 0.052 176.725 176.600 0.122 0.000 1.074 174 K CA 0.415 56.758 56.287 0.094 0.000 0.936 174 K CB 0.288 32.816 32.500 0.046 0.000 1.049 174 K HN 0.954 nan 8.250 nan 0.000 0.471 175 G N 2.792 111.749 108.800 0.261 0.000 2.454 175 G HA2 0.145 4.105 3.960 0.000 0.000 0.329 175 G HA3 0.145 4.105 3.960 0.000 0.000 0.329 175 G C -1.283 173.748 174.900 0.218 0.000 1.177 175 G CA -0.648 44.557 45.100 0.175 0.000 0.951 175 G HN 0.696 nan 8.290 nan 0.000 0.485 176 Q N 0.388 120.232 119.800 0.074 0.000 2.293 176 Q HA 0.206 4.546 4.340 0.000 0.000 0.263 176 Q C 0.593 176.661 176.000 0.112 0.000 1.002 176 Q CA -0.548 55.296 55.803 0.069 0.000 0.910 176 Q CB 1.047 29.788 28.738 0.005 0.000 1.185 176 Q HN 0.437 nan 8.270 nan 0.000 0.401 177 L N 3.970 125.259 121.223 0.109 0.000 2.298 177 L HA 0.345 4.685 4.340 0.000 0.000 0.209 177 L C -0.370 176.468 176.870 -0.053 0.000 1.084 177 L CA 1.456 56.299 54.840 0.004 0.000 0.816 177 L CB 0.423 42.343 42.059 -0.232 0.000 0.967 177 L HN 0.779 nan 8.230 nan 0.000 0.460 178 D N -2.316 118.063 120.400 -0.035 0.000 2.764 178 D HA 0.105 4.745 4.640 0.000 0.000 0.293 178 D C -1.588 174.694 176.300 -0.030 0.000 1.287 178 D CA -0.587 53.400 54.000 -0.021 0.000 0.768 178 D CB 0.979 41.769 40.800 -0.017 0.000 1.288 178 D HN -0.108 nan 8.370 nan 0.000 0.426 179 D N 0.528 120.905 120.400 -0.037 0.000 2.531 179 D HA 0.098 4.738 4.640 0.000 0.000 0.239 179 D C 0.713 176.994 176.300 -0.031 0.000 1.144 179 D CA 0.972 54.951 54.000 -0.034 0.000 0.869 179 D CB 0.120 40.896 40.800 -0.039 0.000 1.160 179 D HN 0.493 nan 8.370 nan 0.000 0.484 180 N N 1.748 120.438 118.700 -0.017 0.000 2.714 180 N HA -0.236 4.505 4.740 0.000 0.000 0.250 180 N C -1.256 174.246 175.510 -0.012 0.000 1.117 180 N CA 1.518 54.562 53.050 -0.010 0.000 0.719 180 N CB -1.161 37.322 38.487 -0.008 0.000 1.081 180 N HN 0.503 nan 8.380 nan 0.000 0.557 181 T N -1.985 112.560 114.554 -0.016 0.000 2.921 181 T HA 0.681 5.032 4.350 0.000 0.000 0.297 181 T C -0.172 174.528 174.700 0.000 0.000 1.013 181 T CA 0.274 62.364 62.100 -0.017 0.000 0.990 181 T CB 1.717 70.562 68.868 -0.039 0.000 1.023 181 T HN 0.357 nan 8.240 nan 0.000 0.447 182 T N 1.531 116.099 114.554 0.023 0.000 2.907 182 T HA 0.784 5.134 4.350 0.000 0.000 0.290 182 T C -1.428 173.335 174.700 0.106 0.000 1.066 182 T CA -0.848 61.296 62.100 0.073 0.000 1.012 182 T CB 1.834 70.740 68.868 0.063 0.000 1.184 182 T HN 0.862 nan 8.240 nan 0.000 0.522 183 Y N -0.617 119.652 120.300 -0.051 0.000 2.592 183 Y HA 0.477 5.028 4.550 0.000 0.000 0.334 183 Y C -0.937 174.891 175.900 -0.121 0.000 1.136 183 Y CA -0.693 57.289 58.100 -0.197 0.000 1.042 183 Y CB 1.917 40.085 38.460 -0.486 0.000 1.325 183 Y HN 0.870 nan 8.280 nan 0.000 0.457 184 T N 5.391 119.551 114.554 -0.657 0.000 2.776 184 T HA 0.262 4.612 4.350 0.000 0.000 0.292 184 T C -0.976 173.460 174.700 -0.440 0.000 0.921 184 T CA 0.218 62.095 62.100 -0.371 0.000 1.038 184 T CB -0.805 67.908 68.868 -0.258 0.000 0.910 184 T HN 0.346 nan 8.240 nan 0.000 0.536 185 Y N 1.712 121.983 120.300 -0.049 0.000 2.320 185 Y HA 0.426 4.976 4.550 0.000 0.000 0.324 185 Y C -0.067 175.942 175.900 0.181 0.000 1.190 185 Y CA -0.791 57.333 58.100 0.040 0.000 1.215 185 Y CB 1.011 39.519 38.460 0.079 0.000 1.221 185 Y HN 0.529 nan 8.280 nan 0.000 0.486 186 W N 1.886 123.232 121.300 0.076 0.000 2.587 186 W HA 0.548 5.208 4.660 0.000 0.000 0.324 186 W C -0.555 175.878 176.519 -0.142 0.000 1.040 186 W CA -1.503 55.792 57.345 -0.082 0.000 1.222 186 W CB 1.309 30.712 29.460 -0.093 0.000 1.381 186 W HN 0.450 nan 8.180 nan 0.000 0.483 187 T N -0.791 113.734 114.554 -0.049 0.000 2.883 187 T HA 0.706 5.056 4.350 0.000 0.000 0.301 187 T C -1.193 173.355 174.700 -0.255 0.000 1.158 187 T CA -0.727 61.307 62.100 -0.111 0.000 1.007 187 T CB 1.535 70.392 68.868 -0.019 0.000 1.186 187 T HN -0.013 nan 8.240 nan 0.000 0.499 188 F N 2.282 122.257 119.950 0.041 0.000 2.404 188 F HA 0.450 4.977 4.527 0.001 0.000 0.358 188 F C 1.049 176.890 175.800 0.068 0.000 1.120 188 F CA -0.471 57.577 58.000 0.080 0.000 1.144 188 F CB 0.290 39.398 39.000 0.179 0.000 1.133 188 F HN 0.703 nan 8.300 nan 0.000 0.495 189 N N 2.054 120.879 118.700 0.208 0.000 2.776 189 N HA -0.192 4.549 4.740 0.000 0.000 0.250 189 N C 1.081 176.640 175.510 0.081 0.000 1.112 189 N CA 1.247 54.382 53.050 0.142 0.000 0.733 189 N CB -1.311 37.274 38.487 0.164 0.000 1.097 189 N HN 1.072 nan 8.380 nan 0.000 0.558 190 G N -1.705 107.121 108.800 0.043 0.000 2.184 190 G HA2 -0.367 3.593 3.960 0.000 0.000 0.264 190 G HA3 -0.367 3.593 3.960 0.000 0.000 0.264 190 G C 0.079 174.964 174.900 -0.024 0.000 0.975 190 G CA 1.108 46.208 45.100 -0.000 0.000 0.642 190 G HN 0.582 nan 8.290 nan 0.000 0.536 191 K N -1.065 119.333 120.400 -0.004 0.000 2.433 191 K HA 0.768 5.089 4.320 0.000 0.000 0.252 191 K C -0.940 175.621 176.600 -0.066 0.000 1.015 191 K CA -0.947 55.312 56.287 -0.047 0.000 0.860 191 K CB 3.019 35.511 32.500 -0.014 0.000 1.359 191 K HN 0.096 nan 8.250 nan 0.000 0.452 192 V N 2.788 122.625 119.914 -0.129 0.000 2.577 192 V HA 0.318 4.438 4.120 0.000 0.000 0.303 192 V C -2.271 173.725 176.094 -0.164 0.000 1.042 192 V CA -1.939 60.245 62.300 -0.194 0.000 0.872 192 V CB 1.632 33.327 31.823 -0.214 0.000 0.998 192 V HN 0.705 nan 8.190 nan 0.000 0.423 193 P HA 0.136 nan 4.420 nan 0.000 0.272 193 P C 0.419 177.711 177.300 -0.013 0.000 1.254 193 P CA 0.211 63.191 63.100 -0.200 0.000 0.795 193 P CB 0.720 32.349 31.700 -0.119 0.000 1.022 194 G N 0.261 109.131 108.800 0.117 0.000 2.631 194 G HA2 0.256 4.217 3.960 0.000 0.000 0.271 194 G HA3 0.256 4.217 3.960 0.000 0.000 0.271 194 G C -2.435 172.704 174.900 0.397 0.000 1.302 194 G CA -0.998 44.286 45.100 0.306 0.000 1.002 194 G HN 0.358 nan 8.290 nan 0.000 0.519 195 P HA 0.071 nan 4.420 nan 0.000 0.266 195 P C -0.511 177.003 177.300 0.356 0.000 1.195 195 P CA -0.031 63.277 63.100 0.346 0.000 0.768 195 P CB 0.384 32.210 31.700 0.210 0.000 0.838 196 F N 4.183 124.177 119.950 0.074 0.000 2.506 196 F HA 0.211 4.738 4.527 0.000 0.000 0.371 196 F C -0.285 175.418 175.800 -0.162 0.000 1.078 196 F CA 0.062 57.865 58.000 -0.328 0.000 1.195 196 F CB 0.071 38.602 39.000 -0.781 0.000 1.099 196 F HN 0.082 nan 8.300 nan 0.000 0.548 197 L N 7.033 128.029 121.223 -0.379 0.000 2.325 197 L HA 0.597 4.938 4.340 0.000 0.000 0.278 197 L C -0.344 176.331 176.870 -0.325 0.000 1.023 197 L CA -0.920 53.780 54.840 -0.233 0.000 0.811 197 L CB 1.838 43.766 42.059 -0.217 0.000 1.249 197 L HN 0.574 nan 8.230 nan 0.000 0.431 198 R N 2.560 122.978 120.500 -0.136 0.000 2.531 198 R HA 0.631 4.971 4.340 0.000 0.000 0.293 198 R C -1.364 174.890 176.300 -0.077 0.000 1.124 198 R CA -0.403 55.652 56.100 -0.075 0.000 0.945 198 R CB 1.855 32.197 30.300 0.071 0.000 1.195 198 R HN 0.548 nan 8.270 nan 0.000 0.433 199 V N 0.031 119.894 119.914 -0.084 0.000 3.119 199 V HA 0.724 4.845 4.120 0.000 0.000 0.311 199 V C -1.051 175.014 176.094 -0.049 0.000 1.259 199 V CA -1.159 61.089 62.300 -0.086 0.000 1.067 199 V CB 1.988 33.730 31.823 -0.135 0.000 1.123 199 V HN 0.725 nan 8.190 nan 0.000 0.463 200 R N 0.323 120.793 120.500 -0.050 0.000 2.711 200 R HA 0.673 5.013 4.340 0.000 0.000 0.284 200 R C -1.008 175.279 176.300 -0.022 0.000 0.968 200 R CA -0.563 55.522 56.100 -0.026 0.000 0.924 200 R CB 2.128 32.411 30.300 -0.029 0.000 1.162 200 R HN 0.884 nan 8.270 nan 0.000 0.465 201 V N 4.068 123.984 119.914 0.004 0.000 2.617 201 V HA 0.192 4.312 4.120 0.000 0.000 0.304 201 V C 1.104 177.192 176.094 -0.010 0.000 1.040 201 V CA 2.448 64.756 62.300 0.013 0.000 1.149 201 V CB 0.666 32.509 31.823 0.033 0.000 0.914 201 V HN 1.108 nan 8.190 nan 0.000 0.487 202 G N 4.365 113.153 108.800 -0.020 0.000 2.234 202 G HA2 -0.198 3.762 3.960 0.000 0.000 0.235 202 G HA3 -0.198 3.762 3.960 0.000 0.000 0.235 202 G C 0.018 174.880 174.900 -0.065 0.000 0.997 202 G CA 0.154 45.233 45.100 -0.035 0.000 0.623 202 G HN 0.775 nan 8.290 nan 0.000 0.514 203 D N 1.389 121.738 120.400 -0.085 0.000 2.419 203 D HA 0.451 5.092 4.640 0.000 0.000 0.236 203 D C 0.552 176.743 176.300 -0.182 0.000 1.165 203 D CA 0.900 54.822 54.000 -0.130 0.000 0.882 203 D CB 0.772 41.482 40.800 -0.150 0.000 1.201 203 D HN 0.120 nan 8.370 nan 0.000 0.443 204 T N 1.096 115.527 114.554 -0.205 0.000 2.767 204 T HA 0.392 4.742 4.350 0.000 0.000 0.284 204 T C -0.137 174.335 174.700 -0.380 0.000 0.973 204 T CA -0.623 61.313 62.100 -0.273 0.000 0.996 204 T CB 1.068 69.820 68.868 -0.193 0.000 0.927 204 T HN -0.038 nan 8.240 nan 0.000 0.456 205 V N 3.828 123.352 119.914 -0.650 0.000 2.370 205 V HA 0.377 4.497 4.120 0.000 0.000 0.283 205 V C 0.260 175.963 176.094 -0.653 0.000 1.023 205 V CA -0.742 61.088 62.300 -0.782 0.000 0.857 205 V CB 1.431 32.407 31.823 -1.413 0.000 0.985 205 V HN 0.854 nan 8.190 nan 0.000 0.443 206 E N 4.554 124.537 120.200 -0.361 0.000 2.073 206 E HA 0.443 4.793 4.350 0.000 0.000 0.269 206 E C -1.263 175.281 176.600 -0.093 0.000 0.917 206 E CA -0.725 55.551 56.400 -0.207 0.000 0.757 206 E CB 1.428 31.080 29.700 -0.080 0.000 1.111 206 E HN 0.614 nan 8.360 nan 0.000 0.410 207 L N 5.687 126.844 121.223 -0.110 0.000 2.282 207 L HA 0.318 4.659 4.340 0.000 0.000 0.288 207 L C -1.155 175.709 176.870 -0.011 0.000 1.033 207 L CA -0.368 54.482 54.840 0.016 0.000 0.807 207 L CB 1.010 43.137 42.059 0.114 0.000 1.209 207 L HN 0.547 nan 8.230 nan 0.000 0.423 208 H N 6.609 125.695 119.070 0.027 0.000 2.581 208 H HA 0.315 4.871 4.556 0.000 0.000 0.308 208 H C -0.944 174.431 175.328 0.079 0.000 1.040 208 H CA -0.598 55.477 56.048 0.046 0.000 1.231 208 H CB 1.916 31.692 29.762 0.023 0.000 1.396 208 H HN 0.558 nan 8.280 nan 0.000 0.467 209 L N 4.630 125.951 121.223 0.163 0.000 2.280 209 L HA 0.324 4.664 4.340 0.000 0.000 0.287 209 L C -0.634 176.325 176.870 0.149 0.000 1.023 209 L CA -0.649 54.296 54.840 0.174 0.000 0.819 209 L CB 0.485 42.654 42.059 0.184 0.000 1.212 209 L HN 0.430 nan 8.230 nan 0.000 0.420 210 K N 3.689 124.177 120.400 0.147 0.000 2.206 210 K HA 0.335 4.655 4.320 0.000 0.000 0.264 210 K C -0.844 175.825 176.600 0.115 0.000 0.967 210 K CA -0.791 55.563 56.287 0.111 0.000 0.844 210 K CB 1.440 33.995 32.500 0.090 0.000 1.099 210 K HN 0.384 nan 8.250 nan 0.000 0.441 211 N N 2.007 120.764 118.700 0.095 0.000 2.419 211 N HA 0.052 4.792 4.740 0.000 0.000 0.277 211 N C -1.054 174.508 175.510 0.088 0.000 1.006 211 N CA -0.453 52.663 53.050 0.109 0.000 0.923 211 N CB 0.589 39.147 38.487 0.119 0.000 1.140 211 N HN 0.518 nan 8.380 nan 0.000 0.488 212 H N 1.977 121.062 119.070 0.025 0.000 2.972 212 H HA 0.009 4.566 4.556 0.000 0.000 0.343 212 H C 1.424 176.757 175.328 0.009 0.000 1.054 212 H CA 0.598 56.654 56.048 0.013 0.000 1.412 212 H CB 0.987 30.749 29.762 -0.001 0.000 1.385 212 H HN 0.585 nan 8.280 nan 0.000 0.600 213 K N 2.647 122.881 120.400 -0.276 0.000 2.362 213 K HA -0.127 4.193 4.320 0.000 0.000 0.200 213 K C 0.186 176.832 176.600 0.076 0.000 1.046 213 K CA 1.519 57.755 56.287 -0.086 0.000 0.952 213 K CB 0.326 32.739 32.500 -0.146 0.000 0.753 213 K HN 0.546 nan 8.250 nan 0.000 0.466 214 D N 1.388 121.989 120.400 0.336 0.000 2.340 214 D HA 0.044 4.685 4.640 0.000 0.000 0.220 214 D C -0.158 176.202 176.300 0.099 0.000 1.039 214 D CA 0.249 54.375 54.000 0.211 0.000 0.866 214 D CB 0.300 41.226 40.800 0.210 0.000 0.913 214 D HN 0.090 nan 8.370 nan 0.000 0.523 215 S N 0.393 116.155 115.700 0.102 0.000 2.562 215 S HA 0.121 4.591 4.470 0.000 0.000 0.281 215 S C 1.711 176.284 174.600 -0.046 0.000 1.333 215 S CA -0.304 57.905 58.200 0.015 0.000 1.052 215 S CB 1.138 64.382 63.200 0.073 0.000 0.884 215 S HN 0.156 nan 8.310 nan 0.000 0.506 216 L N 1.421 122.573 121.223 -0.119 0.000 2.270 216 L HA 0.086 4.426 4.340 0.000 0.000 0.210 216 L C 0.386 177.134 176.870 -0.202 0.000 1.104 216 L CA 0.722 55.483 54.840 -0.133 0.000 0.804 216 L CB -0.138 41.852 42.059 -0.116 0.000 0.937 216 L HN 0.468 nan 8.230 nan 0.000 0.450 217 M N -0.018 119.369 119.600 -0.354 0.000 2.537 217 M HA 0.268 4.748 4.480 0.000 0.000 0.324 217 M C -0.149 175.839 176.300 -0.520 0.000 1.187 217 M CA -0.928 54.073 55.300 -0.498 0.000 0.993 217 M CB 1.999 34.070 32.600 -0.882 0.000 1.666 217 M HN -0.218 nan 8.290 nan 0.000 0.461 218 V N 3.364 123.059 119.914 -0.365 0.000 2.763 218 V HA 0.141 4.261 4.120 0.000 0.000 0.306 218 V C -0.501 175.267 176.094 -0.544 0.000 1.059 218 V CA 0.528 62.644 62.300 -0.308 0.000 1.138 218 V CB 0.084 31.817 31.823 -0.150 0.000 0.940 218 V HN 0.810 nan 8.190 nan 0.000 0.489 219 H N 3.824 122.861 119.070 -0.054 0.000 2.907 219 H HA 0.822 5.378 4.556 0.000 0.000 0.361 219 H C -0.121 175.199 175.328 -0.013 0.000 1.194 219 H CA 0.050 56.067 56.048 -0.052 0.000 1.152 219 H CB 2.142 31.874 29.762 -0.050 0.000 1.867 219 H HN 1.065 nan 8.280 nan 0.000 0.561 220 S N -0.323 115.475 115.700 0.164 0.000 2.724 220 S HA 0.548 5.019 4.470 0.000 0.000 0.278 220 S C -1.448 173.280 174.600 0.212 0.000 1.190 220 S CA -0.770 57.514 58.200 0.141 0.000 0.860 220 S CB 1.860 65.088 63.200 0.048 0.000 1.206 220 S HN 0.410 nan 8.310 nan 0.000 0.507 221 V N 1.094 121.054 119.914 0.076 0.000 2.777 221 V HA 0.657 4.777 4.120 0.000 0.000 0.306 221 V C -2.150 173.756 176.094 -0.314 0.000 1.112 221 V CA -0.344 61.881 62.300 -0.125 0.000 0.917 221 V CB 1.876 33.494 31.823 -0.341 0.000 1.018 221 V HN 1.066 nan 8.190 nan 0.000 0.426 222 D N 5.596 125.718 120.400 -0.462 0.000 2.425 222 D HA 0.416 5.056 4.640 0.000 0.000 0.240 222 D C -1.115 174.846 176.300 -0.566 0.000 1.080 222 D CA -0.168 53.573 54.000 -0.433 0.000 0.836 222 D CB 1.013 41.564 40.800 -0.415 0.000 1.125 222 D HN 0.261 nan 8.370 nan 0.000 0.525 223 F N 2.524 122.342 119.950 -0.220 0.000 2.410 223 F HA 0.290 4.818 4.527 0.000 0.000 0.349 223 F C 1.882 177.627 175.800 -0.092 0.000 1.117 223 F CA -0.618 57.272 58.000 -0.184 0.000 1.104 223 F CB 1.166 39.943 39.000 -0.371 0.000 1.122 223 F HN 0.482 nan 8.300 nan 0.000 0.483 224 H N 1.882 120.972 119.070 0.034 0.000 2.521 224 H HA -0.061 4.495 4.556 0.000 0.000 0.286 224 H C 1.948 177.015 175.328 -0.435 0.000 1.034 224 H CA 0.489 56.517 56.048 -0.033 0.000 1.278 224 H CB 0.359 30.235 29.762 0.190 0.000 1.386 224 H HN 0.934 nan 8.280 nan 0.000 0.567 225 G N 0.143 108.635 108.800 -0.513 0.000 2.880 225 G HA2 0.232 4.192 3.960 0.000 0.000 0.209 225 G HA3 0.232 4.192 3.960 0.000 0.000 0.209 225 G C 0.496 175.107 174.900 -0.481 0.000 1.157 225 G CA 0.299 44.739 45.100 -1.100 0.000 0.779 225 G HN 0.313 nan 8.290 nan 0.000 0.539 226 A N -0.204 122.380 122.820 -0.394 0.000 2.293 226 A HA 0.704 5.024 4.320 0.000 0.000 0.302 226 A C -0.154 177.281 177.584 -0.248 0.000 1.119 226 A CA -0.181 51.581 52.037 -0.459 0.000 0.823 226 A CB 0.891 19.336 19.000 -0.925 0.000 1.097 226 A HN 0.051 nan 8.150 nan 0.000 0.491 227 T N 0.838 115.297 114.554 -0.157 0.000 2.833 227 T HA 0.690 5.041 4.350 0.000 0.000 0.297 227 T C 0.105 174.775 174.700 -0.051 0.000 1.015 227 T CA 0.412 62.464 62.100 -0.081 0.000 0.963 227 T CB 0.907 69.751 68.868 -0.040 0.000 0.955 227 T HN 1.983 nan 8.240 nan 0.000 0.449 228 G N 4.261 113.044 108.800 -0.028 0.000 2.361 228 G HA2 0.240 4.201 3.960 0.000 0.000 0.331 228 G HA3 0.240 4.201 3.960 0.000 0.000 0.331 228 G C -3.201 171.738 174.900 0.066 0.000 1.324 228 G CA -1.269 43.850 45.100 0.031 0.000 0.984 228 G HN 0.469 nan 8.290 nan 0.000 0.586 229 P HA 0.308 nan 4.420 nan 0.000 0.255 229 P C 1.133 178.492 177.300 0.098 0.000 1.161 229 P CA 2.120 65.288 63.100 0.112 0.000 0.768 229 P CB 0.312 32.084 31.700 0.120 0.000 0.746 230 G N 3.583 112.406 108.800 0.039 0.000 2.233 230 G HA2 -0.202 3.758 3.960 0.000 0.000 0.270 230 G HA3 -0.202 3.758 3.960 0.000 0.000 0.270 230 G C 0.919 175.822 174.900 0.005 0.000 1.011 230 G CA 0.643 45.757 45.100 0.024 0.000 0.762 230 G HN 1.059 nan 8.290 nan 0.000 0.511 231 G N -1.330 107.464 108.800 -0.010 0.000 2.321 231 G HA2 0.275 4.235 3.960 0.000 0.000 0.287 231 G HA3 0.275 4.235 3.960 0.000 0.000 0.287 231 G C 1.101 175.952 174.900 -0.083 0.000 1.018 231 G CA 1.332 46.391 45.100 -0.069 0.000 0.855 231 G HN 2.618 nan 8.290 nan 0.000 0.507 232 A N -3.360 119.469 122.820 0.014 0.000 3.648 232 A HA 0.221 4.542 4.320 0.000 0.000 0.216 232 A C 2.275 179.971 177.584 0.187 0.000 1.021 232 A CA 1.521 53.628 52.037 0.117 0.000 1.818 232 A CB -1.733 17.310 19.000 0.072 0.000 0.808 232 A HN 2.267 nan 8.150 nan 0.000 0.745 233 A N 0.058 122.924 122.820 0.077 0.000 1.969 233 A HA 0.367 4.687 4.320 0.000 0.000 0.218 233 A C 2.398 180.006 177.584 0.039 0.000 1.169 233 A CA 2.031 54.092 52.037 0.039 0.000 0.635 233 A CB -0.929 18.070 19.000 -0.002 0.000 0.810 233 A HN 2.146 nan 8.150 nan 0.000 0.445 234 A N -1.450 121.386 122.820 0.026 0.000 2.070 234 A HA 0.037 4.357 4.320 0.000 0.000 0.220 234 A C 1.597 179.020 177.584 -0.270 0.000 1.159 234 A CA 1.287 53.235 52.037 -0.148 0.000 0.656 234 A CB -0.616 18.228 19.000 -0.259 0.000 0.800 234 A HN 0.502 nan 8.150 nan 0.000 0.453 235 F N -0.604 119.345 119.950 -0.001 0.000 2.695 235 F HA 0.112 4.639 4.527 0.000 0.000 0.303 235 F C 1.695 177.505 175.800 0.016 0.000 1.091 235 F CA 1.089 59.094 58.000 0.009 0.000 1.300 235 F CB 0.495 39.507 39.000 0.020 0.000 1.071 235 F HN 0.227 nan 8.300 nan 0.000 0.578 236 T N -3.646 111.004 114.554 0.160 0.000 3.231 236 T HA 0.143 4.493 4.350 0.000 0.000 0.292 236 T C 0.300 175.044 174.700 0.074 0.000 1.001 236 T CA -0.319 61.855 62.100 0.125 0.000 0.920 236 T CB -0.115 68.838 68.868 0.142 0.000 1.140 236 T HN -0.204 nan 8.240 nan 0.000 0.525 237 Q N 2.720 122.540 119.800 0.032 0.000 2.301 237 Q HA 0.252 4.593 4.340 0.000 0.000 0.262 237 Q C -0.476 175.530 176.000 0.010 0.000 1.168 237 Q CA 0.502 56.306 55.803 0.002 0.000 0.908 237 Q CB 0.240 28.960 28.738 -0.029 0.000 1.348 237 Q HN 0.358 nan 8.270 nan 0.000 0.441 238 T N 2.948 117.516 114.554 0.023 0.000 2.791 238 T HA 0.214 4.564 4.350 0.000 0.000 0.288 238 T C -0.198 174.507 174.700 0.009 0.000 0.999 238 T CA -0.892 61.228 62.100 0.033 0.000 0.952 238 T CB 1.046 69.959 68.868 0.074 0.000 0.938 238 T HN 0.254 nan 8.240 nan 0.000 0.444 239 D N 3.951 124.348 120.400 -0.006 0.000 2.382 239 D HA 0.178 4.818 4.640 0.000 0.000 0.240 239 D C -2.263 174.034 176.300 -0.005 0.000 1.146 239 D CA -1.648 52.339 54.000 -0.022 0.000 0.897 239 D CB 0.350 41.136 40.800 -0.023 0.000 1.197 239 D HN 0.186 nan 8.370 nan 0.000 0.432 240 P HA 0.092 nan 4.420 nan 0.000 0.264 240 P C 0.853 178.148 177.300 -0.008 0.000 1.193 240 P CA 0.717 63.819 63.100 0.003 0.000 0.763 240 P CB 0.519 32.213 31.700 -0.011 0.000 0.810 241 G N 1.311 110.101 108.800 -0.016 0.000 2.199 241 G HA2 -0.189 3.771 3.960 0.000 0.000 0.254 241 G HA3 -0.189 3.771 3.960 0.000 0.000 0.254 241 G C 0.196 175.083 174.900 -0.022 0.000 0.982 241 G CA -0.148 44.927 45.100 -0.043 0.000 0.632 241 G HN 0.507 nan 8.290 nan 0.000 0.529 242 E N 0.137 120.336 120.200 -0.001 0.000 2.259 242 E HA 0.687 5.038 4.350 0.000 0.000 0.257 242 E C -0.068 176.551 176.600 0.031 0.000 0.998 242 E CA -0.650 55.757 56.400 0.011 0.000 0.866 242 E CB 1.519 31.226 29.700 0.011 0.000 1.220 242 E HN 0.471 nan 8.360 nan 0.000 0.415 243 E N -0.303 119.921 120.200 0.040 0.000 2.312 243 E HA 0.472 4.822 4.350 0.000 0.000 0.267 243 E C -1.329 175.303 176.600 0.054 0.000 0.894 243 E CA -0.432 56.005 56.400 0.061 0.000 0.773 243 E CB 2.072 31.817 29.700 0.074 0.000 1.241 243 E HN 0.240 nan 8.360 nan 0.000 0.432 244 T N 1.623 116.215 114.554 0.062 0.000 2.912 244 T HA 0.467 4.818 4.350 0.000 0.000 0.299 244 T C -1.668 173.038 174.700 0.010 0.000 1.052 244 T CA -0.548 61.582 62.100 0.051 0.000 0.996 244 T CB 1.466 70.379 68.868 0.075 0.000 1.070 244 T HN 0.296 nan 8.240 nan 0.000 0.465 245 V N 4.172 124.061 119.914 -0.042 0.000 2.789 245 V HA 0.971 5.091 4.120 0.000 0.000 0.311 245 V C -1.354 174.684 176.094 -0.093 0.000 1.073 245 V CA -0.453 61.740 62.300 -0.179 0.000 0.921 245 V CB 1.782 33.288 31.823 -0.527 0.000 1.009 245 V HN 0.718 nan 8.190 nan 0.000 0.426 246 V N 4.960 124.811 119.914 -0.105 0.000 2.932 246 V HA 0.837 4.957 4.120 0.000 0.000 0.307 246 V C -0.528 175.499 176.094 -0.112 0.000 1.147 246 V CA 0.562 62.807 62.300 -0.091 0.000 0.951 246 V CB 2.460 34.272 31.823 -0.019 0.000 1.031 246 V HN 1.409 nan 8.190 nan 0.000 0.426 247 T N 5.758 120.211 114.554 -0.168 0.000 2.829 247 T HA 0.847 5.197 4.350 0.000 0.000 0.280 247 T C -1.020 173.598 174.700 -0.137 0.000 0.999 247 T CA -0.371 61.613 62.100 -0.192 0.000 0.983 247 T CB 1.117 69.865 68.868 -0.200 0.000 0.968 247 T HN 1.289 nan 8.240 nan 0.000 0.446 248 F N 0.634 120.438 119.950 -0.242 0.000 2.613 248 F HA 0.754 5.281 4.527 0.000 0.000 0.310 248 F C -0.919 174.763 175.800 -0.197 0.000 1.085 248 F CA -1.347 56.515 58.000 -0.230 0.000 0.945 248 F CB 1.420 40.275 39.000 -0.242 0.000 1.298 248 F HN 0.472 nan 8.300 nan 0.000 0.455 249 K N 1.727 122.137 120.400 0.015 0.000 2.172 249 K HA 0.701 5.021 4.320 0.000 0.000 0.276 249 K C -0.619 176.014 176.600 0.056 0.000 1.013 249 K CA -0.882 55.372 56.287 -0.056 0.000 0.913 249 K CB 1.784 34.261 32.500 -0.037 0.000 1.055 249 K HN 0.855 nan 8.250 nan 0.000 0.461 250 A N 4.785 127.586 122.820 -0.032 0.000 2.527 250 A HA 0.188 4.509 4.320 0.000 0.000 0.313 250 A C 0.826 178.418 177.584 0.014 0.000 1.410 250 A CA -0.320 51.728 52.037 0.019 0.000 1.060 250 A CB -0.380 18.608 19.000 -0.020 0.000 1.137 250 A HN 0.824 nan 8.150 nan 0.000 0.542 251 L N 2.137 123.373 121.223 0.023 0.000 2.270 251 L HA 0.208 4.548 4.340 0.000 0.000 0.210 251 L C 0.098 176.997 176.870 0.049 0.000 1.104 251 L CA 0.942 55.796 54.840 0.024 0.000 0.804 251 L CB -0.145 41.924 42.059 0.015 0.000 0.937 251 L HN 0.584 nan 8.230 nan 0.000 0.450 252 I N -0.081 120.540 120.570 0.086 0.000 2.499 252 I HA 0.308 4.478 4.170 0.000 0.000 0.288 252 I C -2.455 173.804 176.117 0.238 0.000 1.048 252 I CA -2.039 59.347 61.300 0.144 0.000 1.062 252 I CB 2.340 40.436 38.000 0.161 0.000 1.238 252 I HN -0.258 nan 8.210 nan 0.000 0.426 253 P HA 0.460 nan 4.420 nan 0.000 0.272 253 P C -0.165 177.207 177.300 0.119 0.000 1.223 253 P CA -0.051 63.139 63.100 0.150 0.000 0.784 253 P CB 0.983 32.735 31.700 0.086 0.000 0.923 254 G N 0.427 109.206 108.800 -0.034 0.000 2.328 254 G HA2 0.359 4.320 3.960 0.000 0.000 0.299 254 G HA3 0.359 4.320 3.960 0.000 0.000 0.299 254 G C -2.193 172.356 174.900 -0.586 0.000 1.435 254 G CA -0.537 44.297 45.100 -0.444 0.000 0.865 254 G HN 0.523 nan 8.290 nan 0.000 0.601 255 I N 0.836 121.075 120.570 -0.552 0.000 2.354 255 I HA 0.715 4.886 4.170 0.000 0.000 0.286 255 I C -1.291 174.616 176.117 -0.349 0.000 1.007 255 I CA -1.550 59.571 61.300 -0.299 0.000 1.167 255 I CB 0.290 38.293 38.000 0.005 0.000 1.320 255 I HN 0.434 nan 8.210 nan 0.000 0.458 256 Y N 5.809 126.125 120.300 0.027 0.000 2.393 256 Y HA 0.537 5.087 4.550 0.000 0.000 0.341 256 Y C 0.069 175.978 175.900 0.014 0.000 0.988 256 Y CA -1.081 57.065 58.100 0.077 0.000 1.078 256 Y CB 1.935 40.466 38.460 0.120 0.000 1.203 256 Y HN 0.426 nan 8.280 nan 0.000 0.453 257 V N 5.436 125.415 119.914 0.109 0.000 2.649 257 V HA 0.384 4.504 4.120 0.000 0.000 0.292 257 V C -1.218 174.763 176.094 -0.188 0.000 1.055 257 V CA -0.318 61.912 62.300 -0.117 0.000 1.023 257 V CB 0.393 32.118 31.823 -0.163 0.000 0.992 257 V HN 0.680 nan 8.190 nan 0.000 0.480 258 Y N 4.292 124.494 120.300 -0.163 0.000 2.536 258 Y HA 0.942 5.492 4.550 0.000 0.000 0.347 258 Y C -0.578 175.234 175.900 -0.146 0.000 1.000 258 Y CA -0.818 57.092 58.100 -0.317 0.000 1.051 258 Y CB 1.377 39.593 38.460 -0.407 0.000 1.259 258 Y HN 1.055 nan 8.280 nan 0.000 0.468 259 H N -0.363 118.709 119.070 0.003 0.000 2.981 259 H HA 0.472 5.028 4.556 0.000 0.000 0.327 259 H C -1.392 174.139 175.328 0.340 0.000 1.342 259 H CA -1.561 54.614 56.048 0.212 0.000 1.123 259 H CB 0.653 30.507 29.762 0.153 0.000 1.851 259 H HN 1.108 nan 8.280 nan 0.000 0.531 260 C N 1.030 120.706 119.300 0.627 0.000 2.676 260 C HA 0.636 5.096 4.460 0.000 0.000 0.416 260 C C 1.253 176.452 174.990 0.348 0.000 1.299 260 C CA 0.680 59.953 59.018 0.424 0.000 2.048 260 C CB -1.111 26.824 27.740 0.325 0.000 2.713 260 C HN 0.903 nan 8.230 nan 0.000 0.624 261 A N 3.859 126.760 122.820 0.134 0.000 2.674 261 A HA 0.419 4.739 4.320 0.000 0.000 0.286 261 A C 0.343 177.914 177.584 -0.022 0.000 0.980 261 A CA 0.176 52.277 52.037 0.106 0.000 1.028 261 A CB -0.176 18.857 19.000 0.055 0.000 1.199 261 A HN 1.022 nan 8.150 nan 0.000 0.499 262 T N 0.185 114.616 114.554 -0.205 0.000 2.837 262 T HA 0.587 4.937 4.350 0.000 0.000 0.285 262 T C -3.084 171.489 174.700 -0.212 0.000 0.984 262 T CA -2.186 59.742 62.100 -0.287 0.000 1.049 262 T CB 0.898 69.559 68.868 -0.345 0.000 0.947 262 T HN 0.056 nan 8.240 nan 0.000 0.472 263 P HA 0.146 nan 4.420 nan 0.000 0.268 263 P C -0.587 176.831 177.300 0.196 0.000 1.204 263 P CA -0.122 63.023 63.100 0.076 0.000 0.768 263 P CB 0.502 32.231 31.700 0.048 0.000 0.842 264 S N 2.916 118.801 115.700 0.309 0.000 2.448 264 S HA 0.106 4.577 4.470 0.000 0.000 0.279 264 S C 1.362 176.159 174.600 0.329 0.000 1.195 264 S CA -0.626 57.722 58.200 0.247 0.000 1.051 264 S CB -0.218 63.106 63.200 0.207 0.000 0.948 264 S HN 0.141 nan 8.310 nan 0.000 0.493 265 V N 7.537 127.573 119.914 0.204 0.000 2.255 265 V HA -0.067 4.053 4.120 0.000 0.000 0.247 265 V C -0.517 175.694 176.094 0.195 0.000 1.051 265 V CA 1.761 64.185 62.300 0.206 0.000 1.018 265 V CB -1.549 30.363 31.823 0.149 0.000 0.641 265 V HN 0.747 nan 8.190 nan 0.000 0.445 266 P HA -0.110 nan 4.420 nan 0.000 0.222 266 P C 1.608 178.949 177.300 0.069 0.000 1.147 266 P CA 1.448 64.578 63.100 0.051 0.000 0.790 266 P CB -0.217 31.472 31.700 -0.020 0.000 0.780 267 T N -0.864 113.757 114.554 0.110 0.000 2.701 267 T HA -0.139 4.211 4.350 0.000 0.000 0.263 267 T C 1.746 176.441 174.700 -0.008 0.000 1.040 267 T CA 1.159 63.271 62.100 0.021 0.000 1.147 267 T CB -0.957 67.932 68.868 0.036 0.000 0.865 267 T HN 0.317 nan 8.240 nan 0.000 0.426 268 H N 0.483 119.676 119.070 0.206 0.000 2.387 268 H HA 0.020 4.576 4.556 0.001 0.000 0.299 268 H C 2.333 177.812 175.328 0.251 0.000 1.099 268 H CA 1.183 57.449 56.048 0.364 0.000 1.315 268 H CB -0.185 29.842 29.762 0.442 0.000 1.380 268 H HN 0.331 nan 8.280 nan 0.000 0.513 269 I N -0.026 120.734 120.570 0.316 0.000 2.233 269 I HA -0.220 3.950 4.170 0.000 0.000 0.243 269 I C 2.829 179.131 176.117 0.308 0.000 1.093 269 I CA 1.269 62.758 61.300 0.315 0.000 1.380 269 I CB -0.274 37.812 38.000 0.145 0.000 1.067 269 I HN 0.171 nan 8.210 nan 0.000 0.413 270 T N 0.713 115.367 114.554 0.166 0.000 2.833 270 T HA -0.145 4.205 4.350 0.000 0.000 0.269 270 T C 1.629 176.390 174.700 0.101 0.000 1.054 270 T CA 1.625 63.815 62.100 0.150 0.000 1.135 270 T CB -0.262 68.700 68.868 0.157 0.000 0.869 270 T HN 0.230 nan 8.240 nan 0.000 0.466 271 N N 0.530 119.220 118.700 -0.016 0.000 2.520 271 N HA 0.083 4.823 4.740 0.000 0.000 0.185 271 N C 1.408 176.974 175.510 0.092 0.000 1.068 271 N CA 1.113 54.090 53.050 -0.121 0.000 0.911 271 N CB 0.032 38.069 38.487 -0.750 0.000 0.961 271 N HN 0.658 nan 8.380 nan 0.000 0.446 272 G N -0.726 108.167 108.800 0.154 0.000 2.370 272 G HA2 -0.157 3.804 3.960 0.000 0.000 0.174 272 G HA3 -0.157 3.804 3.960 0.000 0.000 0.174 272 G C -0.001 174.756 174.900 -0.238 0.000 1.002 272 G CA -0.453 44.637 45.100 -0.016 0.000 0.730 272 G HN 0.162 nan 8.290 nan 0.000 0.497 273 M N 1.777 121.411 119.600 0.057 0.000 3.422 273 M HA 0.476 4.956 4.480 0.000 0.000 0.248 273 M C -0.257 176.314 176.300 0.451 0.000 1.433 273 M CA -0.133 55.228 55.300 0.102 0.000 1.592 273 M CB -0.738 31.859 32.600 -0.005 0.000 1.078 273 M HN 0.400 nan 8.290 nan 0.000 0.578 274 Y N -1.562 118.917 120.300 0.298 0.000 2.571 274 Y HA 0.959 5.510 4.550 0.000 0.000 0.341 274 Y C -0.262 175.516 175.900 -0.203 0.000 1.076 274 Y CA -1.302 56.825 58.100 0.047 0.000 1.029 274 Y CB 1.174 39.640 38.460 0.010 0.000 1.308 274 Y HN 0.320 nan 8.280 nan 0.000 0.461 275 G N 1.183 109.624 108.800 -0.599 0.000 2.606 275 G HA2 0.605 4.565 3.960 0.000 0.000 0.300 275 G HA3 0.605 4.565 3.960 0.000 0.000 0.300 275 G C -2.355 172.235 174.900 -0.517 0.000 1.360 275 G CA -1.260 43.474 45.100 -0.609 0.000 0.783 275 G HN 0.732 nan 8.290 nan 0.000 0.484 276 L N 0.326 121.480 121.223 -0.114 0.000 2.334 276 L HA 0.665 5.005 4.340 0.000 0.000 0.273 276 L C -0.688 176.015 176.870 -0.279 0.000 1.013 276 L CA -0.935 53.785 54.840 -0.201 0.000 0.816 276 L CB 2.133 44.006 42.059 -0.310 0.000 1.278 276 L HN 0.334 nan 8.230 nan 0.000 0.431 277 L N 4.383 125.509 121.223 -0.162 0.000 2.372 277 L HA 0.455 4.795 4.340 0.000 0.000 0.274 277 L C -1.367 175.356 176.870 -0.245 0.000 0.988 277 L CA -0.772 53.962 54.840 -0.177 0.000 0.833 277 L CB 1.884 44.040 42.059 0.161 0.000 1.236 277 L HN 0.456 nan 8.230 nan 0.000 0.410 278 L N 6.250 127.188 121.223 -0.475 0.000 2.275 278 L HA 0.416 4.757 4.340 0.000 0.000 0.288 278 L C -0.814 176.018 176.870 -0.064 0.000 1.046 278 L CA -0.013 54.679 54.840 -0.246 0.000 0.805 278 L CB 1.619 43.517 42.059 -0.268 0.000 1.193 278 L HN 0.355 nan 8.230 nan 0.000 0.426 279 V N 5.690 125.637 119.914 0.055 0.000 2.288 279 V HA 0.292 4.412 4.120 0.000 0.000 0.266 279 V C 0.306 176.433 176.094 0.055 0.000 1.048 279 V CA -0.705 61.646 62.300 0.086 0.000 0.842 279 V CB 0.493 32.448 31.823 0.219 0.000 1.064 279 V HN 0.760 nan 8.190 nan 0.000 0.472 280 E N 6.930 127.145 120.200 0.026 0.000 2.413 280 E HA 0.119 4.470 4.350 0.000 0.000 0.263 280 E C -2.141 174.480 176.600 0.035 0.000 1.015 280 E CA -1.207 55.211 56.400 0.030 0.000 0.916 280 E CB 0.669 30.381 29.700 0.021 0.000 0.947 280 E HN 0.441 nan 8.360 nan 0.000 0.440 281 P HA -0.011 nan 4.420 nan 0.000 0.274 281 P C 0.304 177.621 177.300 0.028 0.000 1.256 281 P CA -0.032 63.092 63.100 0.040 0.000 0.795 281 P CB 0.791 32.520 31.700 0.049 0.000 1.038 282 E N 1.107 121.322 120.200 0.025 0.000 2.065 282 E HA -0.202 4.148 4.350 0.000 0.000 0.201 282 E C 2.082 178.690 176.600 0.013 0.000 1.016 282 E CA 2.344 58.753 56.400 0.015 0.000 0.818 282 E CB -1.049 28.660 29.700 0.015 0.000 0.749 282 E HN 0.710 nan 8.360 nan 0.000 0.453 283 G N -0.876 107.935 108.800 0.018 0.000 2.744 283 G HA2 0.254 4.214 3.960 0.000 0.000 0.211 283 G HA3 0.254 4.214 3.960 0.000 0.000 0.211 283 G C 0.607 175.516 174.900 0.014 0.000 1.143 283 G CA 0.367 45.475 45.100 0.014 0.000 0.788 283 G HN 0.635 nan 8.290 nan 0.000 0.534 284 G N -0.938 107.873 108.800 0.018 0.000 2.795 284 G HA2 -0.165 3.795 3.960 0.000 0.000 0.664 284 G HA3 -0.165 3.795 3.960 0.000 0.000 0.664 284 G C -0.203 174.712 174.900 0.024 0.000 1.381 284 G CA -0.525 44.587 45.100 0.020 0.000 0.853 284 G HN 0.491 nan 8.290 nan 0.000 0.545 285 L N 1.187 122.425 121.223 0.025 0.000 2.453 285 L HA 0.396 4.736 4.340 0.000 0.000 0.261 285 L C -1.288 175.585 176.870 0.006 0.000 1.179 285 L CA -1.644 53.203 54.840 0.011 0.000 0.813 285 L CB 0.386 42.439 42.059 -0.011 0.000 1.110 285 L HN 0.446 nan 8.230 nan 0.000 0.466 286 P HA -0.049 nan 4.420 nan 0.000 0.264 286 P C -0.954 176.335 177.300 -0.017 0.000 1.179 286 P CA 0.054 63.151 63.100 -0.004 0.000 0.763 286 P CB 0.248 31.943 31.700 -0.008 0.000 0.806 287 Q N 0.785 120.575 119.800 -0.016 0.000 2.373 287 Q HA 0.357 4.698 4.340 0.000 0.000 0.255 287 Q C -0.226 175.754 176.000 -0.033 0.000 0.980 287 Q CA -0.002 55.787 55.803 -0.023 0.000 0.882 287 Q CB 1.161 29.889 28.738 -0.018 0.000 1.249 287 Q HN 0.216 nan 8.270 nan 0.000 0.438 288 V N 1.297 121.180 119.914 -0.051 0.000 3.159 288 V HA 0.082 4.202 4.120 0.000 0.000 0.308 288 V C 0.049 176.096 176.094 -0.077 0.000 1.190 288 V CA -0.515 61.743 62.300 -0.070 0.000 1.037 288 V CB 2.440 34.202 31.823 -0.102 0.000 1.060 288 V HN 0.774 nan 8.190 nan 0.000 0.437 289 D N 1.349 121.699 120.400 -0.084 0.000 2.194 289 D HA 0.076 4.716 4.640 0.000 0.000 0.204 289 D C 0.696 176.926 176.300 -0.117 0.000 0.964 289 D CA 0.955 54.907 54.000 -0.079 0.000 0.846 289 D CB 0.523 41.289 40.800 -0.056 0.000 0.962 289 D HN 0.265 nan 8.370 nan 0.000 0.490 290 R N 0.147 120.542 120.500 -0.176 0.000 2.566 290 R HA 0.232 4.572 4.340 0.000 0.000 0.271 290 R C -1.351 174.693 176.300 -0.427 0.000 1.071 290 R CA -0.410 55.506 56.100 -0.307 0.000 0.915 290 R CB 2.182 32.309 30.300 -0.288 0.000 1.228 290 R HN -0.150 nan 8.270 nan 0.000 0.449 291 E N 2.943 122.834 120.200 -0.515 0.000 2.207 291 E HA 0.448 4.799 4.350 0.000 0.000 0.270 291 E C -1.128 175.090 176.600 -0.637 0.000 0.927 291 E CA -0.568 55.576 56.400 -0.426 0.000 0.799 291 E CB 1.939 31.554 29.700 -0.141 0.000 1.172 291 E HN 0.220 nan 8.360 nan 0.000 0.404 292 F N 0.930 120.904 119.950 0.041 0.000 2.603 292 F HA 0.368 4.895 4.527 0.000 0.000 0.317 292 F C -0.886 175.074 175.800 0.267 0.000 1.066 292 F CA -1.094 56.980 58.000 0.123 0.000 0.941 292 F CB 1.460 40.525 39.000 0.108 0.000 1.291 292 F HN 0.374 nan 8.300 nan 0.000 0.472 293 Y N 2.879 123.368 120.300 0.315 0.000 2.426 293 Y HA 0.645 5.195 4.550 0.001 0.000 0.325 293 Y C -1.619 174.427 175.900 0.242 0.000 0.989 293 Y CA -1.942 56.318 58.100 0.267 0.000 1.284 293 Y CB 1.061 39.613 38.460 0.153 0.000 1.104 293 Y HN 0.433 nan 8.280 nan 0.000 0.481 294 V N 7.694 127.836 119.914 0.381 0.000 2.656 294 V HA 0.746 4.866 4.120 0.000 0.000 0.307 294 V C -1.457 174.685 176.094 0.080 0.000 1.051 294 V CA -0.693 61.691 62.300 0.138 0.000 0.893 294 V CB 1.867 33.726 31.823 0.060 0.000 0.999 294 V HN 0.779 nan 8.190 nan 0.000 0.426 295 M N 5.088 124.706 119.600 0.030 0.000 2.591 295 M HA 0.555 5.036 4.480 0.000 0.000 0.306 295 M C -0.945 175.482 176.300 0.212 0.000 1.190 295 M CA -0.535 54.758 55.300 -0.012 0.000 0.889 295 M CB 2.431 35.099 32.600 0.112 0.000 1.728 295 M HN 0.823 nan 8.290 nan 0.000 0.458 296 Q N 0.706 120.542 119.800 0.060 0.000 2.312 296 Q HA 0.777 5.117 4.340 0.000 0.000 0.263 296 Q C -1.128 174.833 176.000 -0.065 0.000 0.995 296 Q CA -0.532 55.382 55.803 0.184 0.000 0.853 296 Q CB 2.318 31.253 28.738 0.328 0.000 1.300 296 Q HN 0.922 nan 8.270 nan 0.000 0.448 297 G N 2.275 111.069 108.800 -0.010 0.000 2.687 297 G HA2 0.534 4.495 3.960 0.000 0.000 0.291 297 G HA3 0.534 4.495 3.960 0.000 0.000 0.291 297 G C -1.661 173.169 174.900 -0.117 0.000 1.420 297 G CA -0.673 44.344 45.100 -0.137 0.000 0.796 297 G HN 0.602 nan 8.290 nan 0.000 0.485 298 E N -0.919 119.156 120.200 -0.209 0.000 2.312 298 E HA 0.689 5.040 4.350 0.000 0.000 0.267 298 E C -0.876 175.487 176.600 -0.395 0.000 0.894 298 E CA -0.560 55.530 56.400 -0.516 0.000 0.773 298 E CB 3.043 32.275 29.700 -0.780 0.000 1.241 298 E HN 0.361 nan 8.360 nan 0.000 0.432 299 I N 2.046 122.286 120.570 -0.550 0.000 2.498 299 I HA 0.303 4.473 4.170 0.000 0.000 0.290 299 I C -1.284 174.527 176.117 -0.511 0.000 1.032 299 I CA -0.878 60.146 61.300 -0.459 0.000 1.073 299 I CB 1.294 38.931 38.000 -0.605 0.000 1.251 299 I HN 0.530 nan 8.210 nan 0.000 0.426 300 Y N 3.824 124.021 120.300 -0.171 0.000 2.721 300 Y HA 0.279 4.829 4.550 0.000 0.000 0.328 300 Y C 0.704 176.597 175.900 -0.012 0.000 1.003 300 Y CA -0.825 57.226 58.100 -0.082 0.000 1.275 300 Y CB 1.164 39.579 38.460 -0.076 0.000 1.097 300 Y HN 0.447 nan 8.280 nan 0.000 0.514 301 T N -2.671 111.957 114.554 0.123 0.000 2.934 301 T HA 0.316 4.666 4.350 0.000 0.000 0.283 301 T C 1.175 175.955 174.700 0.134 0.000 1.005 301 T CA -0.751 61.438 62.100 0.148 0.000 1.041 301 T CB 1.726 70.707 68.868 0.188 0.000 1.042 301 T HN 0.253 nan 8.240 nan 0.000 0.505 302 V N 0.926 120.912 119.914 0.120 0.000 2.287 302 V HA -0.076 4.044 4.120 0.000 0.000 0.248 302 V C 1.415 177.560 176.094 0.085 0.000 1.053 302 V CA 1.523 63.879 62.300 0.093 0.000 1.027 302 V CB -0.792 31.077 31.823 0.077 0.000 0.646 302 V HN 0.811 nan 8.190 nan 0.000 0.447 303 K N 0.317 120.770 120.400 0.090 0.000 2.118 303 K HA 0.327 4.647 4.320 0.000 0.000 0.264 303 K C 0.291 176.939 176.600 0.079 0.000 1.000 303 K CA -0.227 56.106 56.287 0.077 0.000 0.929 303 K CB 0.949 33.491 32.500 0.070 0.000 1.021 303 K HN 0.193 nan 8.250 nan 0.000 0.463 304 S N 1.555 117.284 115.700 0.048 0.000 2.568 304 S HA -0.009 4.462 4.470 0.000 0.000 0.282 304 S C -0.053 174.536 174.600 -0.018 0.000 1.338 304 S CA -0.517 57.700 58.200 0.029 0.000 1.045 304 S CB 0.029 63.238 63.200 0.016 0.000 0.873 304 S HN 0.450 nan 8.310 nan 0.000 0.516 305 F N 2.230 122.029 119.950 -0.251 0.000 2.568 305 F HA 0.232 4.759 4.527 0.001 0.000 0.394 305 F C 1.432 177.075 175.800 -0.261 0.000 1.032 305 F CA 1.639 59.328 58.000 -0.519 0.000 1.242 305 F CB -0.176 38.444 39.000 -0.632 0.000 0.966 305 F HN 0.815 nan 8.300 nan 0.000 0.560 306 G N 2.847 110.951 108.800 -1.160 0.000 2.195 306 G HA2 -0.250 3.710 3.960 0.000 0.000 0.246 306 G HA3 -0.250 3.710 3.960 0.000 0.000 0.246 306 G C 0.249 174.942 174.900 -0.344 0.000 0.984 306 G CA 0.065 44.661 45.100 -0.841 0.000 0.633 306 G HN 0.886 nan 8.290 nan 0.000 0.525 307 T N 2.255 116.690 114.554 -0.198 0.000 2.794 307 T HA 0.549 4.900 4.350 0.000 0.000 0.296 307 T C 0.891 175.563 174.700 -0.047 0.000 0.949 307 T CA 0.494 62.548 62.100 -0.077 0.000 1.101 307 T CB 1.437 70.296 68.868 -0.015 0.000 0.905 307 T HN 1.095 nan 8.240 nan 0.000 0.516 308 S N 2.706 118.384 115.700 -0.036 0.000 2.645 308 S HA 0.817 5.288 4.470 0.000 0.000 0.266 308 S C 0.681 175.282 174.600 0.001 0.000 1.258 308 S CA 0.070 58.256 58.200 -0.024 0.000 0.990 308 S CB 0.797 63.986 63.200 -0.019 0.000 0.967 308 S HN 1.444 nan 8.310 nan 0.000 0.556 309 G N 0.404 109.206 108.800 0.003 0.000 2.409 309 G HA2 -0.033 3.927 3.960 0.000 0.000 0.421 309 G HA3 -0.033 3.927 3.960 0.000 0.000 0.421 309 G C -1.308 173.602 174.900 0.016 0.000 1.259 309 G CA -0.804 44.303 45.100 0.012 0.000 1.011 309 G HN 0.855 nan 8.290 nan 0.000 0.497 310 E N 1.356 121.567 120.200 0.019 0.000 2.129 310 E HA 0.283 4.633 4.350 0.000 0.000 0.283 310 E C 0.089 176.707 176.600 0.030 0.000 1.080 310 E CA -0.287 56.125 56.400 0.020 0.000 0.867 310 E CB 0.665 30.371 29.700 0.010 0.000 1.056 310 E HN 0.337 nan 8.360 nan 0.000 0.404 311 Q N 2.296 122.128 119.800 0.054 0.000 2.227 311 Q HA 0.315 4.655 4.340 0.000 0.000 0.245 311 Q C -0.171 175.893 176.000 0.107 0.000 0.926 311 Q CA 0.020 55.882 55.803 0.099 0.000 0.895 311 Q CB 1.512 30.319 28.738 0.114 0.000 1.230 311 Q HN 0.496 nan 8.270 nan 0.000 0.450 312 E N 0.746 121.012 120.200 0.110 0.000 2.336 312 E HA 0.395 4.746 4.350 0.000 0.000 0.267 312 E C -0.645 176.042 176.600 0.145 0.000 0.906 312 E CA -0.815 55.614 56.400 0.048 0.000 0.781 312 E CB 2.504 32.216 29.700 0.020 0.000 1.261 312 E HN 0.429 nan 8.360 nan 0.000 0.436 313 M N 1.846 121.504 119.600 0.097 0.000 2.243 313 M HA 0.051 4.531 4.480 0.000 0.000 0.341 313 M C -0.657 175.710 176.300 0.112 0.000 1.130 313 M CA 0.363 55.750 55.300 0.144 0.000 1.162 313 M CB 0.567 33.196 32.600 0.047 0.000 1.497 313 M HN 0.361 nan 8.290 nan 0.000 0.456 314 D N 3.212 123.691 120.400 0.132 0.000 2.453 314 D HA 0.061 4.701 4.640 0.000 0.000 0.238 314 D C -0.165 176.192 176.300 0.095 0.000 1.088 314 D CA -0.226 53.843 54.000 0.116 0.000 0.854 314 D CB 0.774 41.641 40.800 0.112 0.000 1.076 314 D HN 0.671 nan 8.370 nan 0.000 0.533 315 Y N 4.189 124.481 120.300 -0.014 0.000 2.293 315 Y HA -0.092 4.458 4.550 0.000 0.000 0.291 315 Y C 1.815 177.679 175.900 -0.060 0.000 1.137 315 Y CA 1.493 59.562 58.100 -0.052 0.000 1.202 315 Y CB 0.327 38.765 38.460 -0.037 0.000 0.990 315 Y HN 0.417 nan 8.280 nan 0.000 0.537 316 E N 1.215 121.366 120.200 -0.082 0.000 2.077 316 E HA -0.222 4.128 4.350 0.000 0.000 0.193 316 E C 1.793 178.286 176.600 -0.179 0.000 0.989 316 E CA 1.647 57.951 56.400 -0.160 0.000 0.800 316 E CB -0.068 29.632 29.700 0.001 0.000 0.746 316 E HN 0.601 nan 8.360 nan 0.000 0.452 317 K N 0.503 120.855 120.400 -0.080 0.000 2.057 317 K HA -0.058 4.262 4.320 0.000 0.000 0.206 317 K C 2.435 178.920 176.600 -0.191 0.000 1.050 317 K CA 0.757 57.045 56.287 0.001 0.000 0.935 317 K CB -0.183 32.417 32.500 0.167 0.000 0.715 317 K HN 0.158 nan 8.250 nan 0.000 0.439 318 L N 1.483 122.414 121.223 -0.486 0.000 1.970 318 L HA -0.211 4.130 4.340 0.000 0.000 0.212 318 L C 2.304 178.753 176.870 -0.702 0.000 1.071 318 L CA 1.692 55.895 54.840 -1.062 0.000 0.751 318 L CB -0.317 41.343 42.059 -0.665 0.000 0.889 318 L HN 0.184 nan 8.230 nan 0.000 0.432 319 I N -2.733 117.476 120.570 -0.602 0.000 2.676 319 I HA -0.115 4.055 4.170 0.000 0.000 0.259 319 I C 1.527 177.470 176.117 -0.289 0.000 1.194 319 I CA 1.178 62.198 61.300 -0.467 0.000 1.473 319 I CB -0.699 36.956 38.000 -0.575 0.000 1.096 319 I HN 0.159 nan 8.210 nan 0.000 0.443 320 N N 1.513 120.071 118.700 -0.238 0.000 2.270 320 N HA 0.025 4.766 4.740 0.000 0.000 0.198 320 N C -0.375 175.120 175.510 -0.025 0.000 1.117 320 N CA 0.241 53.225 53.050 -0.109 0.000 0.845 320 N CB -0.240 38.204 38.487 -0.072 0.000 0.980 320 N HN 0.498 nan 8.380 nan 0.000 0.486 321 E N 0.302 120.490 120.200 -0.019 0.000 2.271 321 E HA -0.212 4.138 4.350 0.000 0.000 0.223 321 E C -0.822 176.026 176.600 0.412 0.000 1.223 321 E CA 0.544 57.072 56.400 0.214 0.000 0.704 321 E CB -1.653 28.067 29.700 0.033 0.000 1.194 321 E HN 0.333 nan 8.360 nan 0.000 0.375 322 K N 0.754 121.380 120.400 0.377 0.000 2.606 322 K HA 0.254 4.574 4.320 0.000 0.000 0.196 322 K C -2.465 174.216 176.600 0.136 0.000 1.048 322 K CA -1.678 54.748 56.287 0.233 0.000 1.017 322 K CB 1.206 33.786 32.500 0.134 0.000 1.413 322 K HN 0.026 nan 8.250 nan 0.000 0.568 323 P HA 0.102 nan 4.420 nan 0.000 0.274 323 P C -0.007 176.960 177.300 -0.555 0.000 1.237 323 P CA -0.201 62.401 63.100 -0.830 0.000 0.793 323 P CB 1.231 32.039 31.700 -1.487 0.000 0.977 324 E N 0.089 120.004 120.200 -0.474 0.000 2.244 324 E HA 0.062 4.412 4.350 0.000 0.000 0.196 324 E C -0.090 176.302 176.600 -0.347 0.000 0.939 324 E CA 1.000 57.255 56.400 -0.241 0.000 0.884 324 E CB 0.002 29.661 29.700 -0.068 0.000 0.850 324 E HN 0.505 nan 8.360 nan 0.000 0.481 325 Y N -0.519 119.590 120.300 -0.319 0.000 2.393 325 Y HA 0.405 4.956 4.550 0.000 0.000 0.341 325 Y C -0.490 175.089 175.900 -0.535 0.000 0.988 325 Y CA -0.831 57.135 58.100 -0.224 0.000 1.078 325 Y CB 1.171 39.553 38.460 -0.129 0.000 1.203 325 Y HN -0.237 nan 8.280 nan 0.000 0.453 326 F N 3.900 123.723 119.950 -0.212 0.000 2.467 326 F HA 0.605 5.132 4.527 0.000 0.000 0.336 326 F C -1.028 174.645 175.800 -0.211 0.000 1.123 326 F CA -0.804 57.033 58.000 -0.272 0.000 0.964 326 F CB 1.252 40.028 39.000 -0.375 0.000 1.136 326 F HN 0.143 nan 8.300 nan 0.000 0.447 327 L N 3.892 125.100 121.223 -0.027 0.000 2.401 327 L HA 0.497 4.837 4.340 0.000 0.000 0.266 327 L C -1.083 175.796 176.870 0.014 0.000 0.991 327 L CA -1.105 53.731 54.840 -0.006 0.000 0.818 327 L CB 1.614 43.719 42.059 0.078 0.000 1.321 327 L HN 0.292 nan 8.230 nan 0.000 0.413 328 F N 2.866 122.899 119.950 0.139 0.000 2.410 328 F HA 0.368 4.896 4.527 0.000 0.000 0.349 328 F C 0.871 176.730 175.800 0.098 0.000 1.117 328 F CA -0.793 57.293 58.000 0.144 0.000 1.104 328 F CB 0.560 39.645 39.000 0.142 0.000 1.122 328 F HN 0.556 nan 8.300 nan 0.000 0.483 329 N N 2.188 121.061 118.700 0.289 0.000 2.727 329 N HA -0.187 4.553 4.740 0.000 0.000 0.249 329 N C 0.932 176.495 175.510 0.087 0.000 1.048 329 N CA 1.338 54.462 53.050 0.123 0.000 0.714 329 N CB -1.170 37.361 38.487 0.073 0.000 0.959 329 N HN 1.071 nan 8.380 nan 0.000 0.544 330 G N -2.938 105.932 108.800 0.116 0.000 2.279 330 G HA2 -0.191 3.769 3.960 0.000 0.000 0.223 330 G HA3 -0.191 3.769 3.960 0.000 0.000 0.223 330 G C 0.072 175.029 174.900 0.094 0.000 1.015 330 G CA 0.494 45.631 45.100 0.063 0.000 0.621 330 G HN 1.108 nan 8.290 nan 0.000 0.506 331 S N -1.417 114.333 115.700 0.082 0.000 2.547 331 S HA 0.570 5.040 4.470 0.000 0.000 0.270 331 S C -0.229 174.415 174.600 0.073 0.000 1.150 331 S CA 0.114 58.352 58.200 0.065 0.000 0.850 331 S CB 1.802 65.006 63.200 0.006 0.000 1.118 331 S HN 1.099 nan 8.310 nan 0.000 0.461 332 V N 3.275 123.241 119.914 0.086 0.000 2.529 332 V HA 0.427 4.547 4.120 0.000 0.000 0.292 332 V C 1.671 177.776 176.094 0.020 0.000 1.028 332 V CA 1.441 63.803 62.300 0.104 0.000 1.074 332 V CB 0.170 32.108 31.823 0.191 0.000 0.958 332 V HN 1.547 nan 8.190 nan 0.000 0.481 333 G N 3.833 112.622 108.800 -0.019 0.000 2.162 333 G HA2 -0.335 3.626 3.960 0.000 0.000 0.260 333 G HA3 -0.335 3.626 3.960 0.000 0.000 0.260 333 G C 1.206 176.049 174.900 -0.096 0.000 0.976 333 G CA 0.868 45.907 45.100 -0.100 0.000 0.655 333 G HN 0.928 nan 8.290 nan 0.000 0.533 334 S N -0.661 115.027 115.700 -0.021 0.000 2.365 334 S HA -0.004 4.467 4.470 0.000 0.000 0.225 334 S C 2.054 176.666 174.600 0.021 0.000 1.039 334 S CA 1.682 59.892 58.200 0.016 0.000 1.033 334 S CB -0.183 63.071 63.200 0.091 0.000 0.887 334 S HN 0.665 nan 8.310 nan 0.000 0.447 335 L N 0.937 122.169 121.223 0.016 0.000 2.700 335 L HA 0.220 4.560 4.340 0.000 0.000 0.234 335 L C 1.838 178.621 176.870 -0.144 0.000 1.156 335 L CA 0.530 55.363 54.840 -0.012 0.000 0.946 335 L CB -0.020 42.050 42.059 0.019 0.000 1.216 335 L HN 0.486 nan 8.230 nan 0.000 0.493 336 T N -4.159 110.240 114.554 -0.259 0.000 3.085 336 T HA 0.119 4.470 4.350 0.000 0.000 0.241 336 T C 1.928 176.466 174.700 -0.270 0.000 0.988 336 T CA -0.126 61.703 62.100 -0.451 0.000 1.117 336 T CB 0.240 68.643 68.868 -0.775 0.000 0.978 336 T HN 0.124 nan 8.240 nan 0.000 0.454 337 R N 0.611 120.906 120.500 -0.342 0.000 2.191 337 R HA 0.388 4.728 4.340 0.000 0.000 0.196 337 R C 2.632 178.814 176.300 -0.197 0.000 0.991 337 R CA 0.696 56.574 56.100 -0.370 0.000 1.075 337 R CB 0.070 30.136 30.300 -0.390 0.000 1.040 337 R HN 0.263 nan 8.270 nan 0.000 0.526 338 S N 0.044 115.611 115.700 -0.221 0.000 2.341 338 S HA -0.011 4.460 4.470 0.000 0.000 0.216 338 S C 0.228 174.563 174.600 -0.441 0.000 1.034 338 S CA 0.933 58.904 58.200 -0.381 0.000 0.964 338 S CB 0.020 62.934 63.200 -0.477 0.000 0.882 338 S HN 0.417 nan 8.310 nan 0.000 0.469 339 H N 0.483 119.575 119.070 0.036 0.000 2.562 339 H HA 0.322 4.878 4.556 0.000 0.000 0.230 339 H C -2.902 172.453 175.328 0.046 0.000 1.415 339 H CA -1.608 54.489 56.048 0.082 0.000 1.454 339 H CB 0.815 30.622 29.762 0.076 0.000 1.716 339 H HN 0.256 nan 8.280 nan 0.000 0.538 340 P HA -0.009 nan 4.420 nan 0.000 0.272 340 P C -0.158 177.034 177.300 -0.181 0.000 1.240 340 P CA -0.526 62.523 63.100 -0.087 0.000 0.791 340 P CB 1.356 32.945 31.700 -0.185 0.000 0.978 341 L N 1.831 122.893 121.223 -0.268 0.000 2.417 341 L HA 0.250 4.590 4.340 0.000 0.000 0.268 341 L C 0.136 176.785 176.870 -0.368 0.000 1.158 341 L CA 0.350 54.986 54.840 -0.339 0.000 0.819 341 L CB -0.528 41.072 42.059 -0.765 0.000 1.112 341 L HN 0.300 nan 8.230 nan 0.000 0.458 342 Y N 1.093 121.488 120.300 0.157 0.000 2.442 342 Y HA 0.781 5.332 4.550 0.000 0.000 0.344 342 Y C 0.096 176.167 175.900 0.285 0.000 0.976 342 Y CA -0.697 57.518 58.100 0.192 0.000 1.040 342 Y CB 2.102 40.667 38.460 0.175 0.000 1.228 342 Y HN 0.707 nan 8.280 nan 0.000 0.451 343 A N 0.942 123.981 122.820 0.365 0.000 2.567 343 A HA 0.909 5.229 4.320 0.000 0.000 0.289 343 A C -1.297 176.405 177.584 0.196 0.000 1.177 343 A CA -0.820 51.383 52.037 0.277 0.000 0.694 343 A CB 1.393 20.548 19.000 0.258 0.000 1.292 343 A HN 0.494 nan 8.150 nan 0.000 0.425 344 S N -0.589 115.191 115.700 0.133 0.000 2.568 344 S HA 0.590 5.060 4.470 0.000 0.000 0.302 344 S C -0.071 174.578 174.600 0.083 0.000 1.082 344 S CA -0.230 58.032 58.200 0.103 0.000 1.009 344 S CB 1.647 64.891 63.200 0.073 0.000 1.069 344 S HN 1.862 nan 8.310 nan 0.000 0.500 345 V N 2.111 122.074 119.914 0.082 0.000 2.673 345 V HA 0.519 4.639 4.120 0.000 0.000 0.303 345 V C 1.108 177.230 176.094 0.047 0.000 1.046 345 V CA 1.525 63.867 62.300 0.071 0.000 1.126 345 V CB 0.007 31.877 31.823 0.078 0.000 0.934 345 V HN 1.425 nan 8.190 nan 0.000 0.487 346 G N 3.539 112.361 108.800 0.036 0.000 2.284 346 G HA2 -0.212 3.749 3.960 0.000 0.000 0.230 346 G HA3 -0.212 3.749 3.960 0.000 0.000 0.230 346 G C 0.130 175.037 174.900 0.011 0.000 1.021 346 G CA 0.283 45.398 45.100 0.024 0.000 0.619 346 G HN 0.953 nan 8.290 nan 0.000 0.510 347 E N 1.453 121.657 120.200 0.008 0.000 2.392 347 E HA 0.407 4.758 4.350 0.000 0.000 0.264 347 E C -0.148 176.424 176.600 -0.047 0.000 1.024 347 E CA 0.425 56.816 56.400 -0.015 0.000 0.903 347 E CB 0.561 30.257 29.700 -0.007 0.000 0.963 347 E HN 0.169 nan 8.360 nan 0.000 0.432 348 T N 2.406 116.924 114.554 -0.060 0.000 2.771 348 T HA 0.281 4.632 4.350 0.000 0.000 0.291 348 T C -0.235 174.364 174.700 -0.169 0.000 0.954 348 T CA -0.497 61.544 62.100 -0.099 0.000 1.045 348 T CB 0.791 69.632 68.868 -0.044 0.000 0.917 348 T HN 0.087 nan 8.240 nan 0.000 0.484 349 V N 4.202 123.920 119.914 -0.326 0.000 2.715 349 V HA 0.569 4.689 4.120 0.000 0.000 0.310 349 V C 0.112 175.975 176.094 -0.385 0.000 1.054 349 V CA -0.949 61.135 62.300 -0.361 0.000 0.928 349 V CB 2.077 33.612 31.823 -0.480 0.000 1.007 349 V HN 0.680 nan 8.190 nan 0.000 0.437 350 R N 3.493 123.850 120.500 -0.238 0.000 2.480 350 R HA 0.658 4.998 4.340 0.000 0.000 0.306 350 R C -1.467 174.766 176.300 -0.111 0.000 0.958 350 R CA -0.604 55.352 56.100 -0.240 0.000 0.861 350 R CB 1.566 31.625 30.300 -0.401 0.000 1.171 350 R HN 0.646 nan 8.270 nan 0.000 0.445 351 I N 4.778 125.339 120.570 -0.016 0.000 2.355 351 I HA 0.258 4.428 4.170 0.000 0.000 0.288 351 I C -0.542 175.541 176.117 -0.057 0.000 0.999 351 I CA -0.646 60.719 61.300 0.109 0.000 1.163 351 I CB 1.222 39.417 38.000 0.326 0.000 1.316 351 I HN 0.450 nan 8.210 nan 0.000 0.454 352 F N 6.757 126.814 119.950 0.178 0.000 2.462 352 F HA 0.216 4.744 4.527 0.000 0.000 0.360 352 F C -0.048 175.905 175.800 0.256 0.000 1.134 352 F CA -0.106 58.017 58.000 0.205 0.000 1.148 352 F CB 0.151 39.331 39.000 0.300 0.000 1.147 352 F HN 0.316 nan 8.300 nan 0.000 0.550 353 F N 3.191 123.214 119.950 0.122 0.000 2.493 353 F HA 0.783 5.310 4.527 0.000 0.000 0.329 353 F C -0.125 175.676 175.800 0.002 0.000 1.126 353 F CA -0.787 57.160 58.000 -0.088 0.000 0.937 353 F CB 1.240 39.888 39.000 -0.587 0.000 1.146 353 F HN 0.423 nan 8.300 nan 0.000 0.442 354 G N 3.828 112.198 108.800 -0.716 0.000 2.574 354 G HA2 0.594 4.555 3.960 0.000 0.000 0.299 354 G HA3 0.594 4.555 3.960 0.000 0.000 0.299 354 G C -2.189 172.295 174.900 -0.694 0.000 1.298 354 G CA -0.899 43.899 45.100 -0.503 0.000 0.952 354 G HN 0.528 nan 8.290 nan 0.000 0.477 355 V N 1.509 121.190 119.914 -0.388 0.000 2.326 355 V HA 0.437 4.557 4.120 0.000 0.000 0.281 355 V C 1.317 177.236 176.094 -0.292 0.000 1.015 355 V CA 0.265 62.384 62.300 -0.301 0.000 0.823 355 V CB 0.907 32.665 31.823 -0.108 0.000 1.009 355 V HN 1.001 nan 8.190 nan 0.000 0.436 356 G N 2.961 111.443 108.800 -0.529 0.000 2.402 356 G HA2 0.300 4.261 3.960 0.000 0.000 0.216 356 G HA3 0.300 4.261 3.960 0.000 0.000 0.216 356 G C 1.054 175.649 174.900 -0.507 0.000 1.162 356 G CA 1.204 45.838 45.100 -0.777 0.000 0.777 356 G HN 1.434 nan 8.290 nan 0.000 0.539 357 G N 0.454 109.005 108.800 -0.414 0.000 2.596 357 G HA2 -0.244 3.716 3.960 0.000 0.000 0.258 357 G HA3 -0.244 3.716 3.960 0.000 0.000 0.258 357 G C -0.940 173.898 174.900 -0.103 0.000 1.207 357 G CA 0.544 45.555 45.100 -0.148 0.000 0.954 357 G HN 0.365 nan 8.290 nan 0.000 0.551 358 P HA 0.069 nan 4.420 nan 0.000 0.226 358 P C 0.948 178.242 177.300 -0.009 0.000 1.153 358 P CA 1.557 64.640 63.100 -0.028 0.000 0.777 358 P CB -0.036 31.659 31.700 -0.010 0.000 0.794 359 N N -1.558 117.188 118.700 0.077 0.000 2.419 359 N HA 0.117 4.858 4.740 0.000 0.000 0.216 359 N C 0.010 175.411 175.510 -0.183 0.000 1.118 359 N CA 0.148 53.159 53.050 -0.065 0.000 0.850 359 N CB 0.219 38.631 38.487 -0.126 0.000 1.292 359 N HN 0.126 nan 8.380 nan 0.000 0.467 360 F N 1.491 121.490 119.950 0.081 0.000 2.420 360 F HA 0.243 4.770 4.527 0.000 0.000 0.342 360 F C 1.137 177.002 175.800 0.110 0.000 1.113 360 F CA -0.858 57.219 58.000 0.127 0.000 1.059 360 F CB 1.487 40.648 39.000 0.268 0.000 1.128 360 F HN -0.274 nan 8.300 nan 0.000 0.475 361 T N 1.541 116.222 114.554 0.211 0.000 2.851 361 T HA 0.220 4.570 4.350 0.000 0.000 0.298 361 T C 0.059 174.904 174.700 0.241 0.000 0.977 361 T CA -0.491 61.723 62.100 0.191 0.000 1.126 361 T CB 0.833 69.776 68.868 0.124 0.000 0.916 361 T HN 0.574 nan 8.240 nan 0.000 0.529 362 S N 3.053 118.922 115.700 0.280 0.000 2.554 362 S HA 0.466 4.936 4.470 0.000 0.000 0.278 362 S C -0.004 174.780 174.600 0.307 0.000 1.242 362 S CA -0.821 57.578 58.200 0.332 0.000 1.051 362 S CB 0.547 64.076 63.200 0.549 0.000 0.986 362 S HN 0.791 nan 8.310 nan 0.000 0.502 363 S N 4.752 120.606 115.700 0.257 0.000 2.665 363 S HA 0.304 4.774 4.470 0.000 0.000 0.230 363 S C -0.630 174.148 174.600 0.295 0.000 1.326 363 S CA -0.504 57.839 58.200 0.238 0.000 1.055 363 S CB -0.500 62.797 63.200 0.163 0.000 1.178 363 S HN 0.636 nan 8.310 nan 0.000 0.489 364 F N 3.798 123.826 119.950 0.129 0.000 2.456 364 F HA 0.456 4.983 4.527 0.000 0.000 0.358 364 F C 0.166 176.115 175.800 0.248 0.000 1.095 364 F CA -0.194 57.811 58.000 0.009 0.000 1.216 364 F CB 0.286 39.006 39.000 -0.467 0.000 1.125 364 F HN 0.582 nan 8.300 nan 0.000 0.549 365 H N 3.504 122.254 119.070 -0.534 0.000 2.996 365 H HA 0.610 5.166 4.556 0.000 0.000 0.368 365 H C -1.938 173.033 175.328 -0.596 0.000 1.185 365 H CA -0.835 54.969 56.048 -0.407 0.000 1.160 365 H CB 1.724 31.428 29.762 -0.096 0.000 1.820 365 H HN 0.378 nan 8.280 nan 0.000 0.547 366 V N 6.422 125.624 119.914 -1.187 0.000 2.293 366 V HA 0.235 4.355 4.120 0.000 0.000 0.275 366 V C 0.373 175.938 176.094 -0.881 0.000 1.021 366 V CA -0.614 61.187 62.300 -0.833 0.000 0.815 366 V CB 0.654 32.049 31.823 -0.714 0.000 1.025 366 V HN 0.684 nan 8.190 nan 0.000 0.448 367 I N 4.899 125.230 120.570 -0.398 0.000 2.742 367 I HA 0.226 4.396 4.170 0.000 0.000 0.287 367 I C 1.499 177.591 176.117 -0.041 0.000 1.186 367 I CA 1.600 62.849 61.300 -0.086 0.000 1.417 367 I CB 0.193 38.219 38.000 0.044 0.000 1.377 367 I HN 0.923 nan 8.210 nan 0.000 0.556 368 G N 3.931 112.717 108.800 -0.022 0.000 2.195 368 G HA2 -0.179 3.781 3.960 0.000 0.000 0.246 368 G HA3 -0.179 3.781 3.960 0.000 0.000 0.246 368 G C 0.143 175.091 174.900 0.079 0.000 0.984 368 G CA -0.313 44.849 45.100 0.103 0.000 0.633 368 G HN 0.559 nan 8.290 nan 0.000 0.525 369 E N -0.757 119.292 120.200 -0.252 0.000 2.423 369 E HA 0.815 5.165 4.350 0.000 0.000 0.269 369 E C -0.443 175.780 176.600 -0.628 0.000 0.948 369 E CA -0.641 55.476 56.400 -0.473 0.000 0.802 369 E CB 2.003 31.249 29.700 -0.758 0.000 1.339 369 E HN 0.286 nan 8.360 nan 0.000 0.445 370 I N 0.829 121.047 120.570 -0.586 0.000 2.686 370 I HA 0.317 4.487 4.170 0.000 0.000 0.295 370 I C -0.608 175.224 176.117 -0.474 0.000 1.114 370 I CA -0.788 60.175 61.300 -0.562 0.000 1.038 370 I CB 1.623 39.460 38.000 -0.271 0.000 1.238 370 I HN 0.314 nan 8.210 nan 0.000 0.420 371 F N 3.776 123.603 119.950 -0.205 0.000 2.472 371 F HA 0.125 4.653 4.527 0.000 0.000 0.364 371 F C 1.250 177.023 175.800 -0.045 0.000 1.090 371 F CA -0.467 57.491 58.000 -0.071 0.000 1.188 371 F CB 0.480 39.475 39.000 -0.009 0.000 1.105 371 F HN 0.519 nan 8.300 nan 0.000 0.536 372 D N 0.708 121.212 120.400 0.174 0.000 2.117 372 D HA -0.103 4.537 4.640 0.000 0.000 0.198 372 D C 0.491 176.546 176.300 -0.409 0.000 0.982 372 D CA 1.628 55.562 54.000 -0.109 0.000 0.828 372 D CB 0.091 40.854 40.800 -0.062 0.000 0.967 372 D HN 0.446 nan 8.370 nan 0.000 0.464 373 H N -1.026 118.151 119.070 0.178 0.000 2.759 373 H HA 0.451 5.007 4.556 0.000 0.000 0.354 373 H C -0.870 174.534 175.328 0.127 0.000 1.074 373 H CA -0.555 55.547 56.048 0.090 0.000 1.226 373 H CB 2.095 31.895 29.762 0.064 0.000 1.648 373 H HN -0.285 nan 8.280 nan 0.000 0.529 374 V N 3.950 123.953 119.914 0.148 0.000 2.483 374 V HA 0.140 4.260 4.120 0.000 0.000 0.297 374 V C -0.853 175.285 176.094 0.073 0.000 1.027 374 V CA -0.796 61.591 62.300 0.144 0.000 0.855 374 V CB 1.302 33.199 31.823 0.124 0.000 0.995 374 V HN 0.592 nan 8.190 nan 0.000 0.424 375 Y N 3.083 123.419 120.300 0.060 0.000 2.600 375 Y HA 0.287 4.838 4.550 0.000 0.000 0.351 375 Y C 1.291 177.225 175.900 0.057 0.000 1.042 375 Y CA -0.497 57.635 58.100 0.054 0.000 1.333 375 Y CB 0.602 39.085 38.460 0.039 0.000 1.172 375 Y HN 0.707 nan 8.280 nan 0.000 0.517 376 S N 2.939 118.712 115.700 0.122 0.000 2.533 376 S HA 0.187 4.657 4.470 0.000 0.000 0.282 376 S C 0.671 175.339 174.600 0.113 0.000 1.304 376 S CA -0.601 57.665 58.200 0.109 0.000 1.063 376 S CB 0.446 63.691 63.200 0.075 0.000 0.881 376 S HN 0.846 nan 8.310 nan 0.000 0.493 377 L N 1.239 122.531 121.223 0.115 0.000 4.625 377 L HA -0.277 4.063 4.340 0.000 0.000 0.428 377 L C 1.430 178.358 176.870 0.097 0.000 1.129 377 L CA 0.508 55.410 54.840 0.105 0.000 0.978 377 L CB -2.161 39.951 42.059 0.089 0.000 2.043 377 L HN 1.338 nan 8.230 nan 0.000 0.847 378 G N -0.449 108.418 108.800 0.111 0.000 2.148 378 G HA2 -0.332 3.628 3.960 0.000 0.000 0.254 378 G HA3 -0.332 3.628 3.960 0.000 0.000 0.254 378 G C 0.274 175.204 174.900 0.049 0.000 0.981 378 G CA 0.669 45.814 45.100 0.075 0.000 0.670 378 G HN 0.656 nan 8.290 nan 0.000 0.528 379 S N -0.208 115.552 115.700 0.099 0.000 2.516 379 S HA 0.375 4.846 4.470 0.000 0.000 0.282 379 S C 1.623 176.338 174.600 0.192 0.000 1.286 379 S CA 0.480 58.742 58.200 0.103 0.000 1.066 379 S CB 1.157 64.415 63.200 0.097 0.000 0.884 379 S HN 1.622 nan 8.310 nan 0.000 0.491 380 V N 3.984 123.985 119.914 0.145 0.000 3.621 380 V HA 0.260 4.380 4.120 0.000 0.000 0.285 380 V C 1.089 177.288 176.094 0.175 0.000 1.346 380 V CA 0.445 62.880 62.300 0.224 0.000 1.104 380 V CB 0.058 31.934 31.823 0.089 0.000 0.913 380 V HN 0.640 nan 8.190 nan 0.000 0.432 381 V N 0.108 120.094 119.914 0.119 0.000 2.685 381 V HA 0.148 4.268 4.120 0.000 0.000 0.244 381 V C 1.437 177.572 176.094 0.068 0.000 1.054 381 V CA 1.166 63.518 62.300 0.086 0.000 1.076 381 V CB 0.102 31.967 31.823 0.071 0.000 0.725 381 V HN 0.526 nan 8.190 nan 0.000 0.467 382 S N 1.211 116.949 115.700 0.064 0.000 2.585 382 S HA 0.313 4.783 4.470 0.000 0.000 0.273 382 S C -2.294 172.301 174.600 -0.007 0.000 1.339 382 S CA -0.619 57.600 58.200 0.031 0.000 1.028 382 S CB 0.620 63.839 63.200 0.033 0.000 0.906 382 S HN 0.247 nan 8.310 nan 0.000 0.528 383 P HA 0.173 nan 4.420 nan 0.000 0.263 383 P C -2.233 174.981 177.300 -0.144 0.000 1.195 383 P CA -0.956 62.099 63.100 -0.074 0.000 0.762 383 P CB -0.472 31.207 31.700 -0.035 0.000 0.799 384 P HA 0.044 nan 4.420 nan 0.000 0.270 384 P C -0.188 177.045 177.300 -0.112 0.000 1.223 384 P CA 0.070 62.931 63.100 -0.398 0.000 0.785 384 P CB 0.744 31.936 31.700 -0.848 0.000 0.923 385 L N 1.449 122.639 121.223 -0.055 0.000 2.453 385 L HA 0.317 4.658 4.340 0.000 0.000 0.261 385 L C 0.760 177.640 176.870 0.016 0.000 1.179 385 L CA -0.421 54.421 54.840 0.003 0.000 0.813 385 L CB 0.012 42.087 42.059 0.026 0.000 1.110 385 L HN 0.249 nan 8.230 nan 0.000 0.466 386 I N 1.030 121.597 120.570 -0.006 0.000 2.406 386 I HA 0.389 4.559 4.170 0.000 0.000 0.290 386 I C 0.441 176.527 176.117 -0.052 0.000 0.999 386 I CA -0.471 60.785 61.300 -0.072 0.000 1.124 386 I CB 1.682 39.644 38.000 -0.064 0.000 1.289 386 I HN 0.770 nan 8.210 nan 0.000 0.441 387 G N 4.781 113.542 108.800 -0.066 0.000 2.531 387 G HA2 -0.106 3.854 3.960 0.000 0.000 0.283 387 G HA3 -0.106 3.854 3.960 0.000 0.000 0.283 387 G C -0.798 174.094 174.900 -0.013 0.000 1.068 387 G CA -0.591 44.482 45.100 -0.045 0.000 1.273 387 G HN 0.446 nan 8.290 nan 0.000 0.532 388 V N 2.663 122.594 119.914 0.029 0.000 2.588 388 V HA 0.451 4.571 4.120 0.000 0.000 0.304 388 V C 1.240 177.331 176.094 -0.004 0.000 1.042 388 V CA 0.047 62.389 62.300 0.070 0.000 0.877 388 V CB 1.803 33.732 31.823 0.176 0.000 0.996 388 V HN 0.793 nan 8.190 nan 0.000 0.425 389 Q N 2.878 122.650 119.800 -0.048 0.000 2.123 389 Q HA 0.058 4.398 4.340 0.000 0.000 0.196 389 Q C 0.694 176.656 176.000 -0.063 0.000 0.958 389 Q CA 1.281 56.995 55.803 -0.149 0.000 0.841 389 Q CB 0.494 29.189 28.738 -0.071 0.000 0.915 389 Q HN 0.738 nan 8.270 nan 0.000 0.455 390 T N -1.381 113.245 114.554 0.121 0.000 2.982 390 T HA 0.514 4.864 4.350 0.000 0.000 0.321 390 T C -1.648 173.209 174.700 0.263 0.000 1.229 390 T CA -0.657 61.589 62.100 0.244 0.000 1.044 390 T CB 2.127 71.061 68.868 0.111 0.000 1.184 390 T HN 0.172 nan 8.240 nan 0.000 0.477 391 V N 3.206 123.321 119.914 0.334 0.000 2.588 391 V HA 0.721 4.841 4.120 0.000 0.000 0.304 391 V C -0.264 175.981 176.094 0.252 0.000 1.042 391 V CA -0.422 62.034 62.300 0.260 0.000 0.877 391 V CB 2.130 34.097 31.823 0.241 0.000 0.996 391 V HN 1.135 nan 8.190 nan 0.000 0.425 392 S N 5.547 121.364 115.700 0.195 0.000 2.505 392 S HA 0.522 4.992 4.470 0.000 0.000 0.276 392 S C -0.357 174.371 174.600 0.213 0.000 1.274 392 S CA -0.359 57.957 58.200 0.193 0.000 1.053 392 S CB 1.051 64.334 63.200 0.138 0.000 0.919 392 S HN 0.713 nan 8.310 nan 0.000 0.490 393 V N 6.680 126.753 119.914 0.264 0.000 2.407 393 V HA 0.406 4.526 4.120 0.000 0.000 0.291 393 V C -2.046 174.161 176.094 0.188 0.000 1.018 393 V CA -2.022 60.429 62.300 0.251 0.000 0.842 393 V CB 1.483 33.533 31.823 0.379 0.000 0.996 393 V HN 0.646 nan 8.190 nan 0.000 0.426 394 P HA 0.310 nan 4.420 nan 0.000 0.276 394 P C -2.775 174.570 177.300 0.074 0.000 1.252 394 P CA -2.017 61.144 63.100 0.100 0.000 0.802 394 P CB 0.302 32.052 31.700 0.084 0.000 1.035 395 P HA -0.015 nan 4.420 nan 0.000 0.266 395 P C 0.910 178.230 177.300 0.034 0.000 1.195 395 P CA 1.093 64.198 63.100 0.008 0.000 0.768 395 P CB -0.190 31.504 31.700 -0.009 0.000 0.838 396 G N 1.208 110.023 108.800 0.024 0.000 2.148 396 G HA2 -0.116 3.844 3.960 0.000 0.000 0.254 396 G HA3 -0.116 3.844 3.960 0.000 0.000 0.254 396 G C 0.375 175.415 174.900 0.233 0.000 0.981 396 G CA -0.073 45.128 45.100 0.168 0.000 0.670 396 G HN 0.942 nan 8.290 nan 0.000 0.528 397 G N -1.370 107.499 108.800 0.116 0.000 2.569 397 G HA2 1.022 4.982 3.960 0.000 0.000 0.300 397 G HA3 1.022 4.982 3.960 0.000 0.000 0.300 397 G C -0.516 174.416 174.900 0.053 0.000 1.269 397 G CA 0.183 45.358 45.100 0.125 0.000 0.959 397 G HN 1.625 nan 8.290 nan 0.000 0.478 398 A N -0.543 122.319 122.820 0.071 0.000 2.556 398 A HA 0.917 5.237 4.320 0.000 0.000 0.294 398 A C -0.459 177.187 177.584 0.104 0.000 1.091 398 A CA -0.379 51.688 52.037 0.050 0.000 0.704 398 A CB 1.912 20.936 19.000 0.040 0.000 1.300 398 A HN 1.084 nan 8.150 nan 0.000 0.406 399 T N -0.314 114.329 114.554 0.148 0.000 2.716 399 T HA 0.763 5.113 4.350 0.000 0.000 0.286 399 T C -1.407 173.378 174.700 0.142 0.000 1.052 399 T CA -0.348 61.847 62.100 0.158 0.000 1.024 399 T CB 0.765 69.740 68.868 0.179 0.000 1.349 399 T HN 0.568 nan 8.240 nan 0.000 0.525 400 I N 2.050 122.676 120.570 0.095 0.000 2.533 400 I HA 0.565 4.736 4.170 0.000 0.000 0.290 400 I C -0.755 175.398 176.117 0.059 0.000 1.056 400 I CA -1.155 60.108 61.300 -0.062 0.000 1.057 400 I CB 2.123 39.884 38.000 -0.400 0.000 1.240 400 I HN 0.421 nan 8.210 nan 0.000 0.423 401 V N 1.116 121.013 119.914 -0.028 0.000 2.604 401 V HA 0.698 4.818 4.120 0.000 0.000 0.305 401 V C -1.240 174.942 176.094 0.146 0.000 1.043 401 V CA -0.413 61.883 62.300 -0.006 0.000 0.888 401 V CB 2.031 33.519 31.823 -0.558 0.000 0.995 401 V HN 0.534 nan 8.190 nan 0.000 0.429 402 D N 4.584 125.159 120.400 0.291 0.000 2.481 402 D HA 0.809 5.450 4.640 0.000 0.000 0.244 402 D C -0.822 175.730 176.300 0.420 0.000 1.057 402 D CA 0.213 54.355 54.000 0.237 0.000 0.848 402 D CB 2.079 43.043 40.800 0.272 0.000 1.388 402 D HN 0.781 nan 8.370 nan 0.000 0.475 403 F N -1.263 118.767 119.950 0.133 0.000 2.635 403 F HA 0.396 4.924 4.527 0.000 0.000 0.314 403 F C -0.553 175.268 175.800 0.035 0.000 1.119 403 F CA -1.297 56.755 58.000 0.088 0.000 1.000 403 F CB 1.359 40.413 39.000 0.090 0.000 1.278 403 F HN -0.057 nan 8.300 nan 0.000 0.446 404 K N 3.976 124.452 120.400 0.127 0.000 2.339 404 K HA 0.467 4.787 4.320 0.000 0.000 0.286 404 K C -0.825 175.820 176.600 0.075 0.000 1.050 404 K CA -0.374 55.941 56.287 0.045 0.000 0.956 404 K CB 0.661 33.189 32.500 0.046 0.000 0.990 404 K HN 0.852 nan 8.250 nan 0.000 0.475 405 I N 5.391 125.969 120.570 0.013 0.000 2.308 405 I HA 0.002 4.172 4.170 0.000 0.000 0.293 405 I C 0.170 176.297 176.117 0.016 0.000 1.078 405 I CA -0.227 61.070 61.300 -0.006 0.000 1.292 405 I CB 1.078 39.054 38.000 -0.040 0.000 1.423 405 I HN 0.721 nan 8.210 nan 0.000 0.493 406 D N 5.161 125.574 120.400 0.022 0.000 2.249 406 D HA -0.015 4.626 4.640 0.000 0.000 0.205 406 D C 0.503 176.841 176.300 0.065 0.000 0.962 406 D CA 0.789 54.814 54.000 0.040 0.000 0.860 406 D CB 0.242 41.063 40.800 0.035 0.000 0.955 406 D HN 0.554 nan 8.370 nan 0.000 0.505 407 R N -0.811 119.751 120.500 0.103 0.000 2.766 407 R HA 0.760 5.100 4.340 0.000 0.000 0.270 407 R C -1.317 175.110 176.300 0.212 0.000 1.035 407 R CA -1.145 55.033 56.100 0.130 0.000 0.911 407 R CB 0.926 31.293 30.300 0.112 0.000 1.243 407 R HN -0.116 nan 8.270 nan 0.000 0.460 408 A N 0.051 122.964 122.820 0.155 0.000 2.346 408 A HA 0.764 5.084 4.320 0.000 0.000 0.252 408 A C 0.441 178.081 177.584 0.094 0.000 1.089 408 A CA 0.332 52.457 52.037 0.148 0.000 0.797 408 A CB -0.053 18.991 19.000 0.073 0.000 1.047 408 A HN 1.315 nan 8.150 nan 0.000 0.494 409 G N -0.789 108.001 108.800 -0.018 0.000 2.350 409 G HA2 0.408 4.369 3.960 0.000 0.000 0.304 409 G HA3 0.408 4.369 3.960 0.000 0.000 0.304 409 G C -0.947 173.681 174.900 -0.452 0.000 1.421 409 G CA -0.560 44.319 45.100 -0.369 0.000 0.934 409 G HN 1.012 nan 8.290 nan 0.000 0.632 410 R N 0.455 120.641 120.500 -0.523 0.000 2.204 410 R HA 0.620 4.960 4.340 0.000 0.000 0.341 410 R C -0.884 175.079 176.300 -0.562 0.000 1.035 410 R CA -0.517 55.312 56.100 -0.451 0.000 0.887 410 R CB -0.155 29.850 30.300 -0.492 0.000 1.114 410 R HN 0.460 nan 8.270 nan 0.000 0.473 411 Y N 4.349 124.591 120.300 -0.096 0.000 2.301 411 Y HA 0.363 4.913 4.550 0.000 0.000 0.325 411 Y C 0.410 176.300 175.900 -0.017 0.000 1.203 411 Y CA -0.630 57.424 58.100 -0.076 0.000 1.255 411 Y CB 1.184 39.607 38.460 -0.063 0.000 1.232 411 Y HN 0.369 nan 8.280 nan 0.000 0.501 412 I N 4.298 124.930 120.570 0.103 0.000 2.411 412 I HA 0.194 4.364 4.170 0.000 0.000 0.284 412 I C -1.278 174.869 176.117 0.050 0.000 1.012 412 I CA -0.782 60.612 61.300 0.158 0.000 1.119 412 I CB 0.979 39.080 38.000 0.170 0.000 1.261 412 I HN 0.273 nan 8.210 nan 0.000 0.448 413 L N 7.831 129.087 121.223 0.054 0.000 2.360 413 L HA 0.404 4.744 4.340 0.000 0.000 0.276 413 L C 0.203 177.201 176.870 0.212 0.000 1.121 413 L CA 0.141 54.963 54.840 -0.031 0.000 0.845 413 L CB 0.926 42.924 42.059 -0.101 0.000 1.143 413 L HN 0.459 nan 8.230 nan 0.000 0.452 414 V N -0.760 119.252 119.914 0.164 0.000 3.114 414 V HA 0.635 4.755 4.120 0.000 0.000 0.308 414 V C -0.952 175.328 176.094 0.310 0.000 1.168 414 V CA -0.981 61.476 62.300 0.260 0.000 1.015 414 V CB 2.187 34.028 31.823 0.029 0.000 1.050 414 V HN 0.604 nan 8.190 nan 0.000 0.433 415 D N 0.835 121.367 120.400 0.222 0.000 2.313 415 D HA 0.247 4.888 4.640 0.000 0.000 0.239 415 D C 0.673 176.979 176.300 0.009 0.000 1.142 415 D CA 0.088 54.180 54.000 0.152 0.000 0.847 415 D CB 0.873 41.696 40.800 0.037 0.000 1.082 415 D HN 0.775 nan 8.370 nan 0.000 0.480 416 H N 2.902 121.974 119.070 0.002 0.000 2.563 416 H HA 0.081 4.637 4.556 0.000 0.000 0.272 416 H C -0.120 175.151 175.328 -0.095 0.000 1.005 416 H CA 0.386 56.391 56.048 -0.073 0.000 1.171 416 H CB 0.191 29.880 29.762 -0.121 0.000 1.351 416 H HN 0.449 nan 8.280 nan 0.000 0.602 417 A N 1.524 124.338 122.820 -0.010 0.000 2.785 417 A HA 0.069 4.390 4.320 0.000 0.000 0.294 417 A C 1.069 178.535 177.584 -0.196 0.000 1.597 417 A CA -0.258 51.724 52.037 -0.092 0.000 1.283 417 A CB -0.540 18.376 19.000 -0.141 0.000 1.088 417 A HN 0.206 nan 8.150 nan 0.000 0.568 418 L N 1.664 122.787 121.223 -0.167 0.000 2.551 418 L HA -0.024 4.316 4.340 0.000 0.000 0.228 418 L C 2.332 179.078 176.870 -0.206 0.000 1.153 418 L CA 1.389 56.094 54.840 -0.224 0.000 0.851 418 L CB -1.087 40.822 42.059 -0.250 0.000 0.959 418 L HN 0.600 nan 8.230 nan 0.000 0.451 419 S N -0.579 115.008 115.700 -0.188 0.000 2.442 419 S HA -0.151 4.319 4.470 0.000 0.000 0.236 419 S C 1.966 176.460 174.600 -0.176 0.000 1.007 419 S CA 0.829 58.932 58.200 -0.161 0.000 0.965 419 S CB -0.159 62.971 63.200 -0.118 0.000 0.773 419 S HN 0.469 nan 8.310 nan 0.000 0.504 420 R N 0.639 120.939 120.500 -0.332 0.000 2.235 420 R HA 0.114 4.454 4.340 0.000 0.000 0.213 420 R C 1.915 178.030 176.300 -0.308 0.000 1.059 420 R CA 0.506 56.333 56.100 -0.454 0.000 0.997 420 R CB -0.395 29.346 30.300 -0.931 0.000 0.884 420 R HN 0.367 nan 8.270 nan 0.000 0.462 421 L N 0.881 121.944 121.223 -0.268 0.000 2.043 421 L HA -0.226 4.114 4.340 0.000 0.000 0.212 421 L C 1.970 178.676 176.870 -0.275 0.000 1.075 421 L CA 1.497 56.200 54.840 -0.228 0.000 0.752 421 L CB -0.290 41.658 42.059 -0.185 0.000 0.891 421 L HN 0.257 nan 8.230 nan 0.000 0.432 422 E N -1.345 118.652 120.200 -0.339 0.000 2.502 422 E HA -0.088 4.262 4.350 0.000 0.000 0.194 422 E C 1.066 177.014 176.600 -1.087 0.000 1.062 422 E CA 0.166 56.268 56.400 -0.496 0.000 0.867 422 E CB 0.181 29.628 29.700 -0.422 0.000 0.888 422 E HN 0.593 nan 8.360 nan 0.000 0.510 423 H N -1.128 117.402 119.070 -0.899 0.000 2.520 423 H HA 0.181 4.737 4.556 0.000 0.000 0.284 423 H C 1.095 175.886 175.328 -0.895 0.000 1.037 423 H CA 0.709 55.945 56.048 -1.353 0.000 1.168 423 H CB 1.361 30.776 29.762 -0.578 0.000 1.497 423 H HN 0.301 nan 8.280 nan 0.000 0.547 424 G N 0.966 109.507 108.800 -0.432 0.000 2.192 424 G HA2 -0.198 3.762 3.960 0.000 0.000 0.193 424 G HA3 -0.198 3.762 3.960 0.000 0.000 0.193 424 G C 0.084 174.922 174.900 -0.103 0.000 0.999 424 G CA -0.430 44.634 45.100 -0.059 0.000 0.659 424 G HN 0.302 nan 8.290 nan 0.000 0.503 425 L N 1.567 122.667 121.223 -0.205 0.000 2.352 425 L HA 0.726 5.066 4.340 0.000 0.000 0.272 425 L C -0.310 176.419 176.870 -0.235 0.000 1.109 425 L CA -0.552 54.069 54.840 -0.365 0.000 0.952 425 L CB 0.997 42.800 42.059 -0.426 0.000 1.314 425 L HN 0.155 nan 8.230 nan 0.000 0.427 426 V N 2.758 122.643 119.914 -0.048 0.000 3.098 426 V HA 0.877 4.998 4.120 0.000 0.000 0.294 426 V C -0.753 175.453 176.094 0.187 0.000 1.351 426 V CA -0.172 62.200 62.300 0.119 0.000 0.999 426 V CB 2.349 34.141 31.823 -0.051 0.000 1.104 426 V HN 0.611 nan 8.190 nan 0.000 0.438 427 G N 3.859 112.745 108.800 0.144 0.000 2.659 427 G HA2 0.752 4.712 3.960 0.000 0.000 0.296 427 G HA3 0.752 4.712 3.960 0.000 0.000 0.296 427 G C -1.761 173.147 174.900 0.013 0.000 1.369 427 G CA -0.612 44.472 45.100 -0.026 0.000 0.937 427 G HN 0.650 nan 8.290 nan 0.000 0.485 428 F N 0.356 120.293 119.950 -0.021 0.000 2.495 428 F HA 0.506 5.033 4.527 0.000 0.000 0.327 428 F C -0.278 175.440 175.800 -0.138 0.000 1.103 428 F CA -1.094 56.871 58.000 -0.058 0.000 0.949 428 F CB 2.636 41.613 39.000 -0.038 0.000 1.142 428 F HN 0.317 nan 8.300 nan 0.000 0.457 429 L N 5.117 126.406 121.223 0.110 0.000 2.295 429 L HA 0.453 4.794 4.340 0.000 0.000 0.281 429 L C -0.974 175.928 176.870 0.054 0.000 1.018 429 L CA -0.525 54.314 54.840 -0.002 0.000 0.841 429 L CB 0.451 42.541 42.059 0.052 0.000 1.218 429 L HN 0.402 nan 8.230 nan 0.000 0.424 430 N N 4.622 123.278 118.700 -0.073 0.000 2.419 430 N HA 0.378 5.119 4.740 0.000 0.000 0.264 430 N C -1.130 174.482 175.510 0.169 0.000 1.031 430 N CA -0.192 52.859 53.050 0.003 0.000 0.951 430 N CB 2.118 40.566 38.487 -0.064 0.000 1.101 430 N HN 0.388 nan 8.380 nan 0.000 0.488 431 V N 1.858 121.880 119.914 0.181 0.000 2.349 431 V HA 0.128 4.248 4.120 0.000 0.000 0.284 431 V C 0.003 176.183 176.094 0.143 0.000 1.014 431 V CA -0.956 61.472 62.300 0.213 0.000 0.826 431 V CB 1.485 33.493 31.823 0.308 0.000 1.009 431 V HN 0.495 nan 8.190 nan 0.000 0.431 432 D N 3.174 123.653 120.400 0.132 0.000 2.341 432 D HA 0.651 5.292 4.640 0.000 0.000 0.245 432 D C 0.465 176.807 176.300 0.069 0.000 1.106 432 D CA 1.631 55.682 54.000 0.085 0.000 0.905 432 D CB 1.563 42.410 40.800 0.079 0.000 1.202 432 D HN 0.926 nan 8.370 nan 0.000 0.426 433 G N 1.913 110.740 108.800 0.044 0.000 2.362 433 G HA2 0.169 4.130 3.960 0.000 0.000 0.288 433 G HA3 0.169 4.130 3.960 0.000 0.000 0.288 433 G C -2.722 172.192 174.900 0.023 0.000 1.305 433 G CA -0.809 44.314 45.100 0.037 0.000 0.910 433 G HN 0.554 nan 8.290 nan 0.000 0.518 434 P HA 0.265 nan 4.420 nan 0.000 0.271 434 P C 0.539 177.847 177.300 0.013 0.000 1.216 434 P CA -0.211 62.898 63.100 0.015 0.000 0.776 434 P CB 1.902 33.612 31.700 0.017 0.000 0.881 435 K N 2.514 122.915 120.400 0.003 0.000 2.057 435 K HA -0.048 4.272 4.320 0.000 0.000 0.206 435 K C 0.486 177.097 176.600 0.019 0.000 1.050 435 K CA 0.923 57.207 56.287 -0.004 0.000 0.935 435 K CB 0.090 32.582 32.500 -0.014 0.000 0.715 435 K HN 0.418 nan 8.250 nan 0.000 0.439 436 N N 1.684 120.403 118.700 0.033 0.000 2.421 436 N HA 0.111 4.852 4.740 0.000 0.000 0.285 436 N C -1.163 174.386 175.510 0.065 0.000 1.027 436 N CA -0.255 52.837 53.050 0.070 0.000 0.918 436 N CB 1.775 40.296 38.487 0.057 0.000 1.152 436 N HN 0.338 nan 8.380 nan 0.000 0.485 437 D N -2.012 118.456 120.400 0.113 0.000 2.946 437 D HA 0.111 4.751 4.640 0.000 0.000 0.337 437 D C 0.508 176.905 176.300 0.163 0.000 1.332 437 D CA -0.519 53.533 54.000 0.087 0.000 0.935 437 D CB -0.184 40.654 40.800 0.063 0.000 1.440 437 D HN 0.221 nan 8.370 nan 0.000 0.540 438 S N -0.738 115.030 115.700 0.113 0.000 2.428 438 S HA -0.021 4.449 4.470 0.000 0.000 0.230 438 S C 1.865 176.536 174.600 0.119 0.000 1.014 438 S CA 0.559 58.841 58.200 0.136 0.000 0.957 438 S CB -0.684 62.559 63.200 0.071 0.000 0.784 438 S HN 0.494 nan 8.310 nan 0.000 0.499 439 I N 0.309 120.929 120.570 0.083 0.000 2.500 439 I HA 0.244 4.414 4.170 0.000 0.000 0.252 439 I C 1.063 177.193 176.117 0.021 0.000 1.142 439 I CA 0.755 62.084 61.300 0.047 0.000 1.451 439 I CB 0.084 38.111 38.000 0.045 0.000 1.093 439 I HN 0.361 nan 8.210 nan 0.000 0.430 440 M N 0.247 119.869 119.600 0.036 0.000 2.307 440 M HA 0.273 4.753 4.480 0.000 0.000 0.279 440 M C -1.954 174.364 176.300 0.030 0.000 1.080 440 M CA -0.488 54.792 55.300 -0.032 0.000 0.964 440 M CB 1.469 34.055 32.600 -0.023 0.000 1.825 440 M HN 0.232 nan 8.290 nan 0.000 0.489 441 H N 1.093 120.159 119.070 -0.007 0.000 3.042 441 H HA 0.522 5.078 4.556 0.000 0.000 0.346 441 H C -1.689 173.632 175.328 -0.011 0.000 1.294 441 H CA -0.999 55.044 56.048 -0.009 0.000 1.141 441 H CB 0.712 30.471 29.762 -0.005 0.000 1.872 441 H HN 0.647 nan 8.280 nan 0.000 0.541 442 E N 1.447 121.748 120.200 0.169 0.000 2.390 442 E HA 0.430 4.780 4.350 0.000 0.000 0.261 442 E C 0.408 177.130 176.600 0.204 0.000 1.076 442 E CA -0.351 56.114 56.400 0.108 0.000 0.905 442 E CB 0.695 30.433 29.700 0.063 0.000 0.984 442 E HN 1.258 nan 8.360 nan 0.000 0.427 443 G N 2.102 110.961 108.800 0.097 0.000 2.828 443 G HA2 -0.180 3.780 3.960 0.000 0.000 0.463 443 G HA3 -0.180 3.780 3.960 0.000 0.000 0.463 443 G C -2.362 172.614 174.900 0.127 0.000 1.394 443 G CA -0.436 44.726 45.100 0.103 0.000 0.862 443 G HN 0.713 nan 8.290 nan 0.000 0.540 444 P HA 0.540 nan 4.420 nan 0.000 0.272 444 P C 0.527 177.934 177.300 0.178 0.000 1.240 444 P CA 0.485 63.638 63.100 0.089 0.000 0.791 444 P CB 0.574 32.306 31.700 0.053 0.000 0.978 445 A N 0.000 122.891 122.820 0.119 0.000 2.254 445 A HA 0.000 4.320 4.320 0.000 0.000 0.244 445 A CA 0.000 52.124 52.037 0.145 0.000 0.836 445 A CB 0.000 19.047 19.000 0.079 0.000 0.831 445 A HN 0.000 nan 8.150 nan 0.000 0.486