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 3mqt_1_L DATA FIRST_RESID 5 DATA SEQUENCE ANIVSVEFIP VNVAXXXXSE NTVIVKVTDE NGVYGLGEAD GPPECMKAFS DATA SEQUENCE EIENEHKWLN NIKEAVIGRD PLEFRANYNR MYDTTKWIGM RGLGLFAISG DATA SEQUENCE IDMALYDLAG KQLGVPAYKL MGGAQKAQLT PYFTLYPSVA ADATLSEIVE DATA SEQUENCE AYKPLIAKAK ERGAKAVKVC IIPNDKVSDK EIVAYLRELR EVIGWDMDMM DATA SEQUENCE VDCLYRWTDW QKARWTFRQL EDIDLYFIEA CLQHDDLIGH QKLAAAINTR DATA SEQUENCE LCGAEMSTTR FEAQEWLEKT GISVVQSDYN RCGGVTELLR IMDICEHHNA DATA SEQUENCE QLMPHNWKTG ITAAAARHFG IVCHISEYVE YLHPDFWNGT LTQQLTLNEP DATA SEQUENCE KIIDGAIEVS DKPGLGIELN IEFVEQVTGH KF 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.573 177.584 -0.018 0.000 1.274 5 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 5 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 6 N N -0.295 118.397 118.700 -0.014 0.000 2.463 6 N HA 0.569 5.309 4.740 -0.000 0.000 0.270 6 N C -0.340 175.168 175.510 -0.003 0.000 1.205 6 N CA -0.478 52.564 53.050 -0.014 0.000 0.974 6 N CB 0.765 39.245 38.487 -0.013 0.000 1.197 6 N HN 0.589 nan 8.380 nan 0.000 0.504 7 I N 1.019 121.589 120.570 0.000 0.000 2.588 7 I HA -0.057 4.112 4.170 -0.000 0.000 0.283 7 I C 0.825 176.951 176.117 0.014 0.000 1.119 7 I CA 0.084 61.393 61.300 0.015 0.000 1.419 7 I CB 0.867 38.880 38.000 0.023 0.000 1.394 7 I HN 0.385 nan 8.210 nan 0.000 0.562 8 V N 3.795 123.720 119.914 0.019 0.000 3.359 8 V HA 0.123 4.243 4.120 -0.000 0.000 0.245 8 V C 0.342 176.445 176.094 0.014 0.000 1.247 8 V CA 0.936 63.243 62.300 0.012 0.000 1.145 8 V CB 0.862 32.691 31.823 0.010 0.000 0.906 8 V HN 0.911 nan 8.190 nan 0.000 0.464 9 S N -1.287 114.428 115.700 0.025 0.000 2.596 9 S HA 0.760 5.230 4.470 -0.000 0.000 0.270 9 S C -1.430 173.202 174.600 0.054 0.000 1.155 9 S CA -0.593 57.623 58.200 0.027 0.000 0.827 9 S CB 2.411 65.616 63.200 0.008 0.000 1.130 9 S HN -0.076 nan 8.310 nan 0.000 0.467 10 V N 1.309 121.265 119.914 0.071 0.000 2.612 10 V HA 0.545 4.664 4.120 -0.000 0.000 0.301 10 V C -1.060 175.131 176.094 0.162 0.000 1.059 10 V CA -0.473 61.908 62.300 0.134 0.000 0.886 10 V CB 1.604 33.531 31.823 0.173 0.000 1.007 10 V HN 0.984 nan 8.190 nan 0.000 0.426 11 E N 4.089 124.403 120.200 0.189 0.000 2.210 11 E HA 0.554 4.904 4.350 -0.000 0.000 0.266 11 E C -1.469 175.352 176.600 0.368 0.000 0.883 11 E CA -0.496 56.032 56.400 0.213 0.000 0.761 11 E CB 2.626 32.374 29.700 0.081 0.000 1.156 11 E HN 0.563 nan 8.360 nan 0.000 0.412 12 F N 3.081 123.065 119.950 0.057 0.000 2.391 12 F HA 0.384 4.911 4.527 -0.001 0.000 0.359 12 F C 0.164 176.004 175.800 0.067 0.000 1.122 12 F CA -0.801 57.244 58.000 0.076 0.000 1.120 12 F CB 0.753 39.810 39.000 0.095 0.000 1.142 12 F HN 0.228 nan 8.300 nan 0.000 0.483 13 I N 6.217 126.881 120.570 0.156 0.000 2.371 13 I HA 0.263 4.432 4.170 -0.000 0.000 0.282 13 I C -2.418 173.762 176.117 0.105 0.000 1.031 13 I CA -2.299 59.075 61.300 0.124 0.000 1.180 13 I CB 0.932 39.001 38.000 0.115 0.000 1.336 13 I HN 0.255 nan 8.210 nan 0.000 0.467 14 P HA 0.059 nan 4.420 nan 0.000 0.267 14 P C -0.659 176.686 177.300 0.075 0.000 1.205 14 P CA -0.002 63.156 63.100 0.095 0.000 0.765 14 P CB 0.705 32.462 31.700 0.094 0.000 0.828 15 V N 4.583 124.541 119.914 0.074 0.000 2.349 15 V HA 0.342 4.462 4.120 -0.000 0.000 0.284 15 V C -0.030 176.109 176.094 0.075 0.000 1.014 15 V CA -0.405 61.940 62.300 0.074 0.000 0.826 15 V CB 1.143 33.028 31.823 0.102 0.000 1.009 15 V HN 0.517 nan 8.190 nan 0.000 0.431 16 N N 3.750 122.484 118.700 0.057 0.000 2.442 16 N HA 0.519 5.258 4.740 -0.000 0.000 0.274 16 N C -1.039 174.500 175.510 0.049 0.000 1.002 16 N CA -0.098 52.987 53.050 0.058 0.000 0.910 16 N CB 2.296 40.814 38.487 0.050 0.000 1.244 16 N HN 0.393 nan 8.380 nan 0.000 0.492 17 V N 1.804 121.762 119.914 0.073 0.000 2.532 17 V HA 0.693 4.813 4.120 -0.000 0.000 0.295 17 V C 0.726 176.856 176.094 0.060 0.000 1.041 17 V CA -0.838 61.503 62.300 0.069 0.000 0.926 17 V CB 1.326 33.224 31.823 0.126 0.000 0.992 17 V HN 0.725 nan 8.190 nan 0.000 0.457 24 E N 2.372 122.650 120.200 0.130 0.000 2.238 24 E HA 0.452 4.801 4.350 -0.000 0.000 0.264 24 E C 0.010 176.674 176.600 0.107 0.000 1.136 24 E CA 0.439 56.919 56.400 0.133 0.000 0.929 24 E CB -0.075 29.702 29.700 0.129 0.000 1.010 24 E HN 0.710 nan 8.360 nan 0.000 0.440 25 N N 1.621 120.379 118.700 0.096 0.000 2.591 25 N HA 0.561 5.301 4.740 -0.000 0.000 0.263 25 N C -1.242 174.306 175.510 0.062 0.000 1.308 25 N CA -0.916 52.182 53.050 0.081 0.000 0.837 25 N CB 2.151 40.684 38.487 0.078 0.000 1.548 25 N HN 0.203 nan 8.380 nan 0.000 0.493 26 T N -0.878 113.710 114.554 0.058 0.000 2.792 26 T HA 0.594 4.944 4.350 -0.000 0.000 0.303 26 T C -1.947 172.779 174.700 0.043 0.000 1.310 26 T CA -0.562 61.560 62.100 0.036 0.000 1.007 26 T CB 1.228 70.104 68.868 0.012 0.000 1.335 26 T HN 0.354 nan 8.240 nan 0.000 0.504 27 V N 3.496 123.422 119.914 0.020 0.000 2.350 27 V HA 0.493 4.612 4.120 -0.000 0.000 0.285 27 V C 0.012 176.069 176.094 -0.061 0.000 1.014 27 V CA -0.735 61.569 62.300 0.007 0.000 0.831 27 V CB 1.077 32.913 31.823 0.022 0.000 1.000 27 V HN 0.708 nan 8.190 nan 0.000 0.433 28 I N 5.257 125.809 120.570 -0.030 0.000 2.416 28 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 28 I C -0.192 175.863 176.117 -0.104 0.000 1.051 28 I CA -0.272 61.006 61.300 -0.036 0.000 1.375 28 I CB 1.428 39.452 38.000 0.040 0.000 1.407 28 I HN 0.248 nan 8.210 nan 0.000 0.516 29 V N 7.396 127.217 119.914 -0.154 0.000 2.370 29 V HA 0.276 4.395 4.120 -0.000 0.000 0.283 29 V C 0.118 176.205 176.094 -0.011 0.000 1.023 29 V CA -0.658 61.516 62.300 -0.209 0.000 0.857 29 V CB 1.421 33.029 31.823 -0.359 0.000 0.985 29 V HN 0.620 nan 8.190 nan 0.000 0.443 30 K N 4.467 124.892 120.400 0.041 0.000 2.425 30 K HA 0.644 4.964 4.320 -0.000 0.000 0.259 30 K C -1.427 175.226 176.600 0.088 0.000 0.978 30 K CA -0.443 55.885 56.287 0.069 0.000 0.883 30 K CB 1.727 34.215 32.500 -0.019 0.000 1.110 30 K HN 0.504 nan 8.250 nan 0.000 0.436 31 V N 3.595 123.588 119.914 0.132 0.000 2.370 31 V HA 0.347 4.466 4.120 -0.000 0.000 0.283 31 V C -0.326 175.852 176.094 0.141 0.000 1.023 31 V CA -0.619 61.756 62.300 0.124 0.000 0.857 31 V CB 1.580 33.477 31.823 0.124 0.000 0.985 31 V HN 0.782 nan 8.190 nan 0.000 0.443 32 T N 3.883 118.496 114.554 0.099 0.000 2.824 32 T HA 0.497 4.847 4.350 -0.000 0.000 0.282 32 T C -0.465 174.271 174.700 0.061 0.000 0.993 32 T CA -0.661 61.499 62.100 0.100 0.000 0.967 32 T CB 1.614 70.519 68.868 0.062 0.000 0.960 32 T HN 0.888 nan 8.240 nan 0.000 0.441 33 D N 1.023 121.456 120.400 0.055 0.000 2.529 33 D HA 0.232 4.872 4.640 -0.000 0.000 0.273 33 D C 1.028 177.341 176.300 0.021 0.000 1.197 33 D CA -0.760 53.258 54.000 0.029 0.000 1.070 33 D CB 0.595 41.405 40.800 0.017 0.000 1.134 33 D HN 0.452 nan 8.370 nan 0.000 0.590 34 E N -1.013 119.194 120.200 0.011 0.000 2.204 34 E HA -0.132 4.217 4.350 -0.000 0.000 0.195 34 E C 0.759 177.365 176.600 0.009 0.000 0.990 34 E CA 0.781 57.185 56.400 0.007 0.000 0.821 34 E CB -0.136 29.564 29.700 0.001 0.000 0.750 34 E HN 0.354 nan 8.360 nan 0.000 0.477 35 N N -0.413 118.293 118.700 0.010 0.000 2.322 35 N HA 0.017 4.757 4.740 -0.000 0.000 0.194 35 N C 0.936 176.458 175.510 0.021 0.000 1.126 35 N CA 0.821 53.878 53.050 0.011 0.000 0.845 35 N CB 1.153 39.643 38.487 0.004 0.000 0.976 35 N HN 0.277 nan 8.380 nan 0.000 0.475 36 G N -0.073 108.746 108.800 0.032 0.000 2.184 36 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.264 36 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.264 36 G C 0.144 175.098 174.900 0.091 0.000 0.975 36 G CA 0.355 45.489 45.100 0.057 0.000 0.642 36 G HN 0.207 nan 8.290 nan 0.000 0.536 37 V N 1.159 121.100 119.914 0.046 0.000 2.715 37 V HA 0.538 4.658 4.120 -0.000 0.000 0.299 37 V C 0.448 176.576 176.094 0.056 0.000 1.054 37 V CA 0.355 62.651 62.300 -0.006 0.000 1.077 37 V CB 0.443 32.241 31.823 -0.041 0.000 0.972 37 V HN 0.618 nan 8.190 nan 0.000 0.484 38 Y N 1.755 122.075 120.300 0.033 0.000 2.570 38 Y HA 0.932 5.482 4.550 -0.001 0.000 0.345 38 Y C 0.130 176.065 175.900 0.058 0.000 1.014 38 Y CA -1.141 56.982 58.100 0.040 0.000 1.063 38 Y CB 1.701 40.181 38.460 0.033 0.000 1.272 38 Y HN 0.704 nan 8.280 nan 0.000 0.477 39 G N 1.433 110.380 108.800 0.245 0.000 2.511 39 G HA2 0.684 4.644 3.960 -0.000 0.000 0.318 39 G HA3 0.684 4.644 3.960 -0.000 0.000 0.318 39 G C -1.965 173.104 174.900 0.281 0.000 1.210 39 G CA -1.250 43.966 45.100 0.194 0.000 0.969 39 G HN 0.738 nan 8.290 nan 0.000 0.484 40 L N 0.491 121.843 121.223 0.215 0.000 2.385 40 L HA 0.779 5.119 4.340 -0.000 0.000 0.273 40 L C 0.555 177.481 176.870 0.094 0.000 0.990 40 L CA -0.662 54.283 54.840 0.174 0.000 0.821 40 L CB 2.295 44.471 42.059 0.194 0.000 1.279 40 L HN 0.775 nan 8.230 nan 0.000 0.412 41 G N 1.494 110.326 108.800 0.054 0.000 2.949 41 G HA2 0.759 4.718 3.960 -0.000 0.000 0.285 41 G HA3 0.759 4.718 3.960 -0.000 0.000 0.285 41 G C -1.770 173.109 174.900 -0.035 0.000 1.395 41 G CA -0.384 44.726 45.100 0.016 0.000 0.901 41 G HN 0.619 nan 8.290 nan 0.000 0.519 42 E N -1.420 118.751 120.200 -0.048 0.000 2.356 42 E HA 0.680 5.030 4.350 -0.000 0.000 0.275 42 E C -0.899 175.659 176.600 -0.070 0.000 0.904 42 E CA -1.167 55.186 56.400 -0.079 0.000 0.757 42 E CB 2.275 31.939 29.700 -0.060 0.000 1.232 42 E HN 0.753 nan 8.360 nan 0.000 0.442 43 A N 2.023 124.785 122.820 -0.097 0.000 2.324 43 A HA 0.446 4.765 4.320 -0.000 0.000 0.330 43 A C -0.743 176.832 177.584 -0.015 0.000 1.165 43 A CA -0.691 51.330 52.037 -0.026 0.000 0.813 43 A CB 1.375 20.369 19.000 -0.010 0.000 1.197 43 A HN 0.716 nan 8.150 nan 0.000 0.484 44 D N 0.031 120.386 120.400 -0.075 0.000 2.358 44 D HA 0.571 5.211 4.640 -0.000 0.000 0.244 44 D C 0.582 176.879 176.300 -0.006 0.000 1.163 44 D CA 1.524 55.405 54.000 -0.197 0.000 0.945 44 D CB 1.108 41.545 40.800 -0.605 0.000 1.152 44 D HN 1.357 nan 8.370 nan 0.000 0.451 45 G N 0.867 109.687 108.800 0.033 0.000 2.440 45 G HA2 0.013 3.973 3.960 -0.000 0.000 0.684 45 G HA3 0.013 3.973 3.960 -0.000 0.000 0.684 45 G C -2.867 172.118 174.900 0.142 0.000 1.309 45 G CA -1.025 44.209 45.100 0.223 0.000 0.931 45 G HN 0.487 nan 8.290 nan 0.000 0.612 46 P HA 0.294 nan 4.420 nan 0.000 0.270 46 P C -1.893 175.477 177.300 0.117 0.000 1.242 46 P CA -1.117 62.047 63.100 0.107 0.000 0.768 46 P CB 0.756 32.512 31.700 0.094 0.000 0.820 47 P HA -0.207 nan 4.420 nan 0.000 0.215 47 P C 1.370 178.748 177.300 0.131 0.000 1.157 47 P CA 1.586 64.757 63.100 0.119 0.000 0.874 47 P CB 0.057 31.814 31.700 0.095 0.000 0.790 48 E N -1.169 119.094 120.200 0.105 0.000 2.107 48 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 48 E C 2.181 178.846 176.600 0.108 0.000 0.982 48 E CA 0.704 57.163 56.400 0.098 0.000 0.809 48 E CB -1.332 28.411 29.700 0.072 0.000 0.756 48 E HN 0.227 nan 8.360 nan 0.000 0.459 49 C N 1.026 120.392 119.300 0.109 0.000 2.413 49 C HA -0.151 4.309 4.460 -0.000 0.000 0.276 49 C C 2.570 177.656 174.990 0.159 0.000 1.236 49 C CA 0.805 59.892 59.018 0.115 0.000 1.735 49 C CB -0.751 27.048 27.740 0.099 0.000 2.031 49 C HN 0.333 nan 8.230 nan 0.000 0.474 50 M N 0.606 120.321 119.600 0.192 0.000 2.229 50 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 50 M C 2.092 178.573 176.300 0.302 0.000 1.063 50 M CA 1.451 56.919 55.300 0.280 0.000 1.114 50 M CB -1.563 31.244 32.600 0.344 0.000 1.387 50 M HN 0.509 nan 8.290 nan 0.000 0.420 51 K N 0.502 121.047 120.400 0.242 0.000 2.009 51 K HA -0.117 4.203 4.320 -0.000 0.000 0.210 51 K C 2.044 178.676 176.600 0.054 0.000 1.049 51 K CA 1.692 58.076 56.287 0.162 0.000 0.929 51 K CB -0.083 32.502 32.500 0.141 0.000 0.714 51 K HN 0.235 nan 8.250 nan 0.000 0.440 52 A N 0.693 123.558 122.820 0.075 0.000 1.917 52 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 52 A C 2.037 179.631 177.584 0.018 0.000 1.182 52 A CA 1.638 53.697 52.037 0.038 0.000 0.633 52 A CB -0.929 18.104 19.000 0.056 0.000 0.819 52 A HN 0.539 nan 8.150 nan 0.000 0.448 53 F N 1.837 121.745 119.950 -0.071 0.000 2.126 53 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 53 F C 2.680 178.356 175.800 -0.208 0.000 1.096 53 F CA 2.120 60.057 58.000 -0.105 0.000 1.255 53 F CB -0.136 38.825 39.000 -0.064 0.000 0.997 53 F HN 0.322 nan 8.300 nan 0.000 0.479 54 S N -1.121 114.448 115.700 -0.219 0.000 2.522 54 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 54 S C 1.283 175.682 174.600 -0.335 0.000 0.986 54 S CA 0.964 58.855 58.200 -0.516 0.000 0.929 54 S CB -0.446 62.074 63.200 -1.135 0.000 0.769 54 S HN 0.633 nan 8.310 nan 0.000 0.529 55 E N 1.039 121.102 120.200 -0.228 0.000 2.548 55 E HA 0.319 4.669 4.350 -0.000 0.000 0.206 55 E C 0.392 176.900 176.600 -0.153 0.000 1.005 55 E CA -0.355 55.952 56.400 -0.155 0.000 0.951 55 E CB 0.476 30.122 29.700 -0.090 0.000 1.035 55 E HN 0.782 nan 8.360 nan 0.000 0.470 56 I N -1.085 119.355 120.570 -0.216 0.000 3.060 56 I HA 0.225 4.395 4.170 -0.000 0.000 0.285 56 I C 0.331 176.346 176.117 -0.170 0.000 1.190 56 I CA -0.554 60.626 61.300 -0.200 0.000 1.363 56 I CB 0.698 38.527 38.000 -0.284 0.000 1.396 56 I HN -0.240 nan 8.210 nan 0.000 0.607 57 E N 2.782 122.899 120.200 -0.137 0.000 2.319 57 E HA 0.265 4.615 4.350 -0.000 0.000 0.268 57 E C -0.698 175.818 176.600 -0.140 0.000 1.050 57 E CA -0.502 55.827 56.400 -0.119 0.000 0.878 57 E CB 0.673 30.320 29.700 -0.089 0.000 1.066 57 E HN 0.570 nan 8.360 nan 0.000 0.406 58 N N 2.189 120.811 118.700 -0.130 0.000 2.441 58 N HA -0.001 4.738 4.740 -0.000 0.000 0.251 58 N C 0.175 175.600 175.510 -0.141 0.000 1.242 58 N CA 0.437 53.400 53.050 -0.145 0.000 0.898 58 N CB 0.785 39.200 38.487 -0.121 0.000 1.100 58 N HN 0.557 nan 8.380 nan 0.000 0.443 59 E N -0.185 119.900 120.200 -0.191 0.000 2.713 59 E HA 0.043 4.393 4.350 -0.000 0.000 0.201 59 E C -0.423 176.121 176.600 -0.093 0.000 0.935 59 E CA 0.160 56.467 56.400 -0.155 0.000 1.273 59 E CB 0.492 30.081 29.700 -0.185 0.000 1.221 59 E HN 0.832 nan 8.360 nan 0.000 0.547 60 H N -1.715 117.276 119.070 -0.131 0.000 2.950 60 H HA 0.318 4.873 4.556 -0.001 0.000 0.272 60 H C 0.340 175.549 175.328 -0.198 0.000 1.495 60 H CA -0.673 55.278 56.048 -0.162 0.000 1.183 60 H CB 0.806 30.465 29.762 -0.171 0.000 1.867 60 H HN -0.125 nan 8.280 nan 0.000 0.597 61 K N -0.472 119.877 120.400 -0.085 0.000 2.152 61 K HA -0.079 4.240 4.320 -0.000 0.000 0.206 61 K C 0.043 176.363 176.600 -0.467 0.000 1.048 61 K CA 1.827 57.848 56.287 -0.445 0.000 0.933 61 K CB 0.034 31.999 32.500 -0.892 0.000 0.721 61 K HN 0.635 nan 8.250 nan 0.000 0.447 62 W N 0.642 122.051 121.300 0.181 0.000 3.132 62 W HA 0.266 4.927 4.660 0.001 0.000 0.364 62 W C -0.081 176.437 176.519 -0.001 0.000 1.129 62 W CA -0.425 57.006 57.345 0.143 0.000 1.815 62 W CB 0.249 29.882 29.460 0.288 0.000 1.099 62 W HN 0.014 nan 8.180 nan 0.000 0.605 63 L N 2.858 123.942 121.223 -0.232 0.000 2.490 63 L HA 0.362 4.702 4.340 -0.000 0.000 0.256 63 L C -0.794 175.886 176.870 -0.316 0.000 1.089 63 L CA 0.068 54.704 54.840 -0.341 0.000 0.916 63 L CB -0.004 41.663 42.059 -0.653 0.000 1.188 63 L HN -0.229 nan 8.230 nan 0.000 0.476 64 N N 1.849 120.432 118.700 -0.196 0.000 2.381 64 N HA 0.256 4.996 4.740 -0.000 0.000 0.294 64 N C -0.803 174.594 175.510 -0.188 0.000 1.216 64 N CA -0.776 52.167 53.050 -0.178 0.000 0.803 64 N CB 1.664 40.071 38.487 -0.134 0.000 1.372 64 N HN 0.453 nan 8.380 nan 0.000 0.500 65 N N 1.498 120.087 118.700 -0.184 0.000 2.411 65 N HA -0.055 4.685 4.740 -0.000 0.000 0.261 65 N C 1.007 176.427 175.510 -0.150 0.000 1.248 65 N CA 0.077 53.006 53.050 -0.202 0.000 0.885 65 N CB 0.716 39.105 38.487 -0.163 0.000 1.062 65 N HN 0.612 nan 8.380 nan 0.000 0.471 66 I N 4.471 124.942 120.570 -0.164 0.000 2.361 66 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 66 I C 1.795 177.905 176.117 -0.013 0.000 1.133 66 I CA 1.248 62.515 61.300 -0.054 0.000 1.413 66 I CB 0.117 38.136 38.000 0.032 0.000 1.073 66 I HN 0.592 nan 8.210 nan 0.000 0.424 67 K N 0.439 120.815 120.400 -0.040 0.000 2.209 67 K HA -0.209 4.110 4.320 -0.000 0.000 0.204 67 K C 1.779 178.379 176.600 -0.001 0.000 1.048 67 K CA 1.466 57.754 56.287 0.002 0.000 0.940 67 K CB -0.150 32.340 32.500 -0.017 0.000 0.729 67 K HN 0.461 nan 8.250 nan 0.000 0.451 68 E N 0.278 120.461 120.200 -0.028 0.000 2.347 68 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 68 E C 1.730 178.322 176.600 -0.013 0.000 1.008 68 E CA 0.410 56.794 56.400 -0.027 0.000 0.852 68 E CB 0.092 29.762 29.700 -0.049 0.000 0.783 68 E HN 0.327 nan 8.360 nan 0.000 0.505 69 A N 0.605 123.424 122.820 -0.001 0.000 2.066 69 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 69 A C 2.224 179.824 177.584 0.028 0.000 1.157 69 A CA 1.315 53.362 52.037 0.016 0.000 0.670 69 A CB -0.073 18.945 19.000 0.030 0.000 0.804 69 A HN 0.240 nan 8.150 nan 0.000 0.453 70 V N -3.883 116.050 119.914 0.033 0.000 3.484 70 V HA 0.322 4.441 4.120 -0.000 0.000 0.252 70 V C 0.645 176.753 176.094 0.024 0.000 1.282 70 V CA -0.596 61.726 62.300 0.037 0.000 1.104 70 V CB -0.557 31.304 31.823 0.064 0.000 0.868 70 V HN 0.189 nan 8.190 nan 0.000 0.457 71 I N 3.316 123.898 120.570 0.019 0.000 2.821 71 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 71 I C 1.645 177.764 176.117 0.002 0.000 1.210 71 I CA 2.006 63.312 61.300 0.011 0.000 1.430 71 I CB -0.544 37.458 38.000 0.003 0.000 1.356 71 I HN 0.663 nan 8.210 nan 0.000 0.563 72 G N 6.049 114.849 108.800 0.000 0.000 2.175 72 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.244 72 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.244 72 G C 0.465 175.360 174.900 -0.009 0.000 0.982 72 G CA -0.403 44.694 45.100 -0.006 0.000 0.641 72 G HN 0.524 nan 8.290 nan 0.000 0.527 73 R N 0.555 121.050 120.500 -0.008 0.000 2.674 73 R HA 0.525 4.865 4.340 -0.000 0.000 0.266 73 R C -0.844 175.436 176.300 -0.032 0.000 1.016 73 R CA -0.844 55.245 56.100 -0.018 0.000 1.062 73 R CB 0.650 30.943 30.300 -0.012 0.000 1.142 73 R HN 0.223 nan 8.270 nan 0.000 0.517 74 D N 2.184 122.552 120.400 -0.054 0.000 2.277 74 D HA 0.130 4.769 4.640 -0.000 0.000 0.249 74 D C -1.484 174.735 176.300 -0.134 0.000 1.134 74 D CA -2.147 51.804 54.000 -0.083 0.000 0.863 74 D CB 1.289 42.035 40.800 -0.090 0.000 1.143 74 D HN 0.115 nan 8.370 nan 0.000 0.458 75 P HA -0.082 nan 4.420 nan 0.000 0.230 75 P C 1.740 178.752 177.300 -0.481 0.000 1.158 75 P CA 0.198 63.187 63.100 -0.185 0.000 0.769 75 P CB 0.475 32.129 31.700 -0.078 0.000 0.807 76 L N 0.177 121.107 121.223 -0.489 0.000 2.275 76 L HA -0.052 4.288 4.340 -0.000 0.000 0.215 76 L C 0.943 177.205 176.870 -1.012 0.000 1.119 76 L CA 1.296 55.679 54.840 -0.761 0.000 0.790 76 L CB -0.367 41.483 42.059 -0.349 0.000 0.919 76 L HN 0.009 nan 8.230 nan 0.000 0.443 77 E N 0.263 120.106 120.200 -0.595 0.000 2.261 77 E HA -0.027 4.323 4.350 -0.000 0.000 0.308 77 E C 0.814 177.259 176.600 -0.259 0.000 1.400 77 E CA -0.326 55.868 56.400 -0.342 0.000 1.542 77 E CB 0.023 29.629 29.700 -0.156 0.000 1.369 77 E HN 0.308 nan 8.360 nan 0.000 0.493 78 F N 0.582 120.511 119.950 -0.035 0.000 2.091 78 F HA -0.233 4.293 4.527 -0.000 0.000 0.299 78 F C 2.386 178.247 175.800 0.100 0.000 1.103 78 F CA 1.207 59.197 58.000 -0.016 0.000 1.228 78 F CB -0.446 38.517 39.000 -0.061 0.000 0.984 78 F HN 0.177 nan 8.300 nan 0.000 0.477 79 R N 0.138 120.787 120.500 0.248 0.000 2.062 79 R HA -0.069 4.270 4.340 -0.000 0.000 0.231 79 R C 2.534 178.958 176.300 0.205 0.000 1.136 79 R CA 1.217 57.442 56.100 0.208 0.000 0.948 79 R CB -0.912 29.473 30.300 0.142 0.000 0.845 79 R HN 0.297 nan 8.270 nan 0.000 0.430 80 A N 1.295 124.194 122.820 0.132 0.000 1.908 80 A HA -0.234 4.085 4.320 -0.000 0.000 0.218 80 A C 1.719 179.379 177.584 0.126 0.000 1.181 80 A CA 1.948 54.050 52.037 0.108 0.000 0.627 80 A CB -0.742 18.289 19.000 0.053 0.000 0.818 80 A HN 0.442 nan 8.150 nan 0.000 0.445 81 N N -2.297 116.478 118.700 0.126 0.000 2.171 81 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 81 N C 1.744 177.362 175.510 0.181 0.000 1.021 81 N CA 1.254 54.378 53.050 0.123 0.000 0.854 81 N CB -0.316 38.228 38.487 0.095 0.000 0.994 81 N HN 0.614 nan 8.380 nan 0.000 0.426 82 Y N 2.359 122.749 120.300 0.150 0.000 2.097 82 Y HA -0.242 4.308 4.550 -0.001 0.000 0.282 82 Y C 1.910 177.922 175.900 0.186 0.000 1.152 82 Y CA 1.614 59.821 58.100 0.178 0.000 1.136 82 Y CB -0.197 38.368 38.460 0.175 0.000 0.975 82 Y HN 0.063 nan 8.280 nan 0.000 0.498 83 N N 0.251 119.157 118.700 0.344 0.000 2.166 83 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 83 N C 1.969 177.592 175.510 0.188 0.000 1.019 83 N CA 1.461 54.672 53.050 0.267 0.000 0.856 83 N CB -0.489 38.142 38.487 0.240 0.000 0.993 83 N HN 0.413 nan 8.380 nan 0.000 0.426 84 R N 0.293 120.877 120.500 0.140 0.000 2.073 84 R HA 0.102 4.442 4.340 -0.000 0.000 0.229 84 R C 2.174 178.526 176.300 0.087 0.000 1.120 84 R CA 0.805 56.968 56.100 0.106 0.000 0.967 84 R CB -0.011 30.335 30.300 0.076 0.000 0.862 84 R HN 0.173 nan 8.270 nan 0.000 0.436 85 M N -0.871 118.764 119.600 0.059 0.000 2.086 85 M HA -0.223 4.256 4.480 -0.000 0.000 0.261 85 M C 2.031 178.361 176.300 0.050 0.000 1.067 85 M CA 1.686 57.008 55.300 0.036 0.000 1.116 85 M CB -0.463 32.143 32.600 0.011 0.000 1.348 85 M HN 0.219 nan 8.290 nan 0.000 0.407 86 Y N 1.491 121.712 120.300 -0.132 0.000 2.145 86 Y HA -0.293 4.257 4.550 -0.001 0.000 0.286 86 Y C 2.044 177.991 175.900 0.078 0.000 1.145 86 Y CA 1.855 59.918 58.100 -0.062 0.000 1.148 86 Y CB -0.161 38.245 38.460 -0.090 0.000 0.981 86 Y HN 0.251 nan 8.280 nan 0.000 0.507 87 D N -0.767 119.827 120.400 0.324 0.000 2.097 87 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 87 D C 2.199 178.622 176.300 0.206 0.000 0.989 87 D CA 2.287 56.466 54.000 0.298 0.000 0.827 87 D CB -0.821 40.145 40.800 0.277 0.000 0.966 87 D HN 0.526 nan 8.370 nan 0.000 0.456 88 T N -1.738 112.881 114.554 0.108 0.000 3.113 88 T HA -0.049 4.300 4.350 -0.000 0.000 0.263 88 T C 1.561 176.284 174.700 0.038 0.000 1.143 88 T CA 1.358 63.481 62.100 0.040 0.000 1.090 88 T CB -0.300 68.562 68.868 -0.009 0.000 0.922 88 T HN 0.149 nan 8.240 nan 0.000 0.521 89 T N -2.436 112.149 114.554 0.051 0.000 3.084 89 T HA 0.399 4.749 4.350 -0.000 0.000 0.270 89 T C 1.411 176.147 174.700 0.059 0.000 1.008 89 T CA -0.548 61.576 62.100 0.040 0.000 0.900 89 T CB 0.059 68.956 68.868 0.049 0.000 1.084 89 T HN 0.229 nan 8.240 nan 0.000 0.538 90 K N 0.512 120.967 120.400 0.091 0.000 2.059 90 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 90 K C 1.739 178.398 176.600 0.099 0.000 1.050 90 K CA 1.787 58.086 56.287 0.021 0.000 0.927 90 K CB -0.201 32.380 32.500 0.136 0.000 0.714 90 K HN 0.528 nan 8.250 nan 0.000 0.447 91 W N 1.813 123.165 121.300 0.087 0.000 2.421 91 W HA -0.150 4.511 4.660 0.001 0.000 0.270 91 W C 1.318 177.860 176.519 0.038 0.000 1.233 91 W CA 1.363 58.761 57.345 0.088 0.000 1.226 91 W CB 0.192 29.793 29.460 0.235 0.000 1.121 91 W HN 0.140 nan 8.180 nan 0.000 0.579 92 I N -3.386 117.279 120.570 0.158 0.000 4.288 92 I HA 0.346 4.516 4.170 -0.000 0.000 0.331 92 I C 1.263 177.434 176.117 0.089 0.000 1.322 92 I CA 0.569 61.940 61.300 0.118 0.000 1.149 92 I CB -0.613 37.502 38.000 0.191 0.000 1.112 92 I HN -0.209 nan 8.210 nan 0.000 0.403 93 G N 1.016 109.832 108.800 0.027 0.000 3.434 93 G HA2 0.374 4.333 3.960 -0.000 0.000 0.192 93 G HA3 0.374 4.333 3.960 -0.000 0.000 0.192 93 G C 0.604 175.412 174.900 -0.154 0.000 1.704 93 G CA 0.315 45.379 45.100 -0.060 0.000 0.936 93 G HN 0.267 nan 8.290 nan 0.000 0.623 94 M N -2.612 116.822 119.600 -0.278 0.000 2.814 94 M HA -0.186 4.294 4.480 -0.000 0.000 0.150 94 M C -0.017 176.311 176.300 0.047 0.000 0.693 94 M CA 1.654 56.818 55.300 -0.228 0.000 0.575 94 M CB -0.436 32.057 32.600 -0.179 0.000 2.110 94 M HN 0.441 nan 8.290 nan 0.000 0.260 95 R N -0.244 120.248 120.500 -0.013 0.000 2.774 95 R HA 0.648 4.988 4.340 -0.000 0.000 0.272 95 R C 0.336 176.590 176.300 -0.076 0.000 1.000 95 R CA 0.102 56.220 56.100 0.030 0.000 0.906 95 R CB 1.127 31.454 30.300 0.046 0.000 1.227 95 R HN 0.781 nan 8.270 nan 0.000 0.468 96 G N 0.945 109.702 108.800 -0.071 0.000 2.528 96 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.262 96 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.262 96 G C 0.678 175.136 174.900 -0.737 0.000 1.200 96 G CA 0.276 45.229 45.100 -0.245 0.000 0.951 96 G HN 0.554 nan 8.290 nan 0.000 0.566 97 L N 1.203 121.872 121.223 -0.923 0.000 2.079 97 L HA 0.130 4.470 4.340 -0.000 0.000 0.210 97 L C 2.982 179.173 176.870 -1.133 0.000 1.081 97 L CA 3.020 56.995 54.840 -1.442 0.000 0.752 97 L CB -0.811 40.806 42.059 -0.736 0.000 0.896 97 L HN 1.004 nan 8.230 nan 0.000 0.433 98 G N -0.358 107.988 108.800 -0.757 0.000 2.462 98 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 98 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 98 G C 1.446 176.163 174.900 -0.305 0.000 1.121 98 G CA 0.878 45.592 45.100 -0.644 0.000 0.758 98 G HN 0.367 nan 8.290 nan 0.000 0.559 99 L N -0.098 120.994 121.223 -0.218 0.000 2.313 99 L HA 0.181 4.520 4.340 -0.000 0.000 0.214 99 L C 2.348 179.365 176.870 0.246 0.000 1.119 99 L CA 0.423 55.301 54.840 0.065 0.000 0.809 99 L CB -0.291 41.870 42.059 0.171 0.000 0.933 99 L HN 0.085 nan 8.230 nan 0.000 0.449 100 F N -0.094 119.841 119.950 -0.026 0.000 2.102 100 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 100 F C 2.576 178.411 175.800 0.058 0.000 1.105 100 F CA 0.711 58.713 58.000 0.004 0.000 1.239 100 F CB -1.760 37.221 39.000 -0.032 0.000 0.991 100 F HN 0.094 nan 8.300 nan 0.000 0.474 101 A N 0.747 123.710 122.820 0.238 0.000 1.883 101 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 101 A C 2.374 180.191 177.584 0.389 0.000 1.186 101 A CA 1.802 54.085 52.037 0.409 0.000 0.624 101 A CB -1.219 17.989 19.000 0.347 0.000 0.822 101 A HN 0.363 nan 8.150 nan 0.000 0.444 102 I N -0.104 120.627 120.570 0.268 0.000 2.208 102 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 102 I C 2.721 178.988 176.117 0.250 0.000 1.097 102 I CA 1.524 62.960 61.300 0.227 0.000 1.363 102 I CB -0.403 37.676 38.000 0.132 0.000 1.051 102 I HN 0.254 nan 8.210 nan 0.000 0.413 103 S N 0.847 116.698 115.700 0.251 0.000 2.365 103 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 103 S C 2.145 176.847 174.600 0.170 0.000 1.039 103 S CA 1.562 59.896 58.200 0.224 0.000 1.033 103 S CB -0.925 62.390 63.200 0.192 0.000 0.887 103 S HN 0.661 nan 8.310 nan 0.000 0.447 104 G N 1.458 110.332 108.800 0.123 0.000 2.418 104 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 104 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 104 G C 1.355 176.288 174.900 0.055 0.000 1.158 104 G CA 0.832 45.943 45.100 0.018 0.000 0.771 104 G HN 0.497 nan 8.290 nan 0.000 0.545 105 I N 0.606 121.259 120.570 0.138 0.000 2.202 105 I HA -0.095 4.075 4.170 -0.000 0.000 0.242 105 I C 2.408 178.648 176.117 0.205 0.000 1.091 105 I CA 1.417 62.827 61.300 0.183 0.000 1.368 105 I CB -0.290 37.864 38.000 0.256 0.000 1.058 105 I HN 0.137 nan 8.210 nan 0.000 0.410 106 D N 0.975 121.526 120.400 0.251 0.000 2.116 106 D HA -0.292 4.348 4.640 -0.000 0.000 0.193 106 D C 2.302 178.807 176.300 0.342 0.000 0.998 106 D CA 1.648 55.841 54.000 0.321 0.000 0.836 106 D CB -0.045 40.994 40.800 0.399 0.000 0.951 106 D HN 0.194 nan 8.370 nan 0.000 0.449 107 M N -0.119 119.632 119.600 0.252 0.000 2.080 107 M HA -0.223 4.257 4.480 -0.000 0.000 0.260 107 M C 2.097 178.518 176.300 0.203 0.000 1.068 107 M CA 2.074 57.496 55.300 0.204 0.000 1.109 107 M CB -0.139 32.516 32.600 0.093 0.000 1.342 107 M HN 0.145 nan 8.290 nan 0.000 0.405 108 A N 0.447 123.362 122.820 0.157 0.000 1.933 108 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 108 A C 2.002 179.681 177.584 0.159 0.000 1.175 108 A CA 1.485 53.607 52.037 0.142 0.000 0.628 108 A CB -1.022 18.050 19.000 0.119 0.000 0.814 108 A HN 0.624 nan 8.150 nan 0.000 0.444 109 L N -2.173 119.157 121.223 0.178 0.000 2.083 109 L HA -0.223 4.116 4.340 -0.000 0.000 0.209 109 L C 2.560 179.535 176.870 0.175 0.000 1.083 109 L CA 1.461 56.395 54.840 0.156 0.000 0.752 109 L CB -0.696 41.461 42.059 0.164 0.000 0.899 109 L HN 0.461 nan 8.230 nan 0.000 0.433 110 Y N -0.012 120.417 120.300 0.215 0.000 2.181 110 Y HA -0.290 4.260 4.550 -0.001 0.000 0.288 110 Y C 2.482 178.411 175.900 0.049 0.000 1.146 110 Y CA 1.748 59.901 58.100 0.088 0.000 1.164 110 Y CB -0.409 37.965 38.460 -0.145 0.000 0.982 110 Y HN 0.219 nan 8.280 nan 0.000 0.515 111 D N -0.096 120.398 120.400 0.156 0.000 2.097 111 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 111 D C 2.123 178.453 176.300 0.050 0.000 0.989 111 D CA 0.945 54.981 54.000 0.061 0.000 0.827 111 D CB -0.340 40.497 40.800 0.062 0.000 0.966 111 D HN 0.181 nan 8.370 nan 0.000 0.456 112 L N 0.757 122.025 121.223 0.075 0.000 1.989 112 L HA -0.034 4.306 4.340 -0.000 0.000 0.211 112 L C 2.234 179.124 176.870 0.034 0.000 1.071 112 L CA 2.462 57.330 54.840 0.046 0.000 0.749 112 L CB -1.296 40.801 42.059 0.064 0.000 0.890 112 L HN 0.069 nan 8.230 nan 0.000 0.431 113 A N -0.530 122.330 122.820 0.066 0.000 1.908 113 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 113 A C 2.346 179.964 177.584 0.057 0.000 1.181 113 A CA 1.721 53.788 52.037 0.051 0.000 0.627 113 A CB -1.654 17.394 19.000 0.080 0.000 0.818 113 A HN 0.576 nan 8.150 nan 0.000 0.445 114 G N -0.504 108.340 108.800 0.073 0.000 2.418 114 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 114 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 114 G C 1.686 176.580 174.900 -0.009 0.000 1.158 114 G CA 1.173 46.286 45.100 0.023 0.000 0.771 114 G HN 0.579 nan 8.290 nan 0.000 0.545 115 K N -0.048 120.341 120.400 -0.019 0.000 2.057 115 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 115 K C 2.752 179.332 176.600 -0.033 0.000 1.050 115 K CA 1.224 57.486 56.287 -0.041 0.000 0.935 115 K CB -0.142 32.312 32.500 -0.077 0.000 0.715 115 K HN 0.342 nan 8.250 nan 0.000 0.439 116 Q N 0.252 120.038 119.800 -0.023 0.000 2.124 116 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 116 Q C 1.846 177.835 176.000 -0.017 0.000 0.977 116 Q CA 1.116 56.906 55.803 -0.021 0.000 0.850 116 Q CB 0.072 28.797 28.738 -0.021 0.000 0.901 116 Q HN 0.307 nan 8.270 nan 0.000 0.429 117 L N -1.392 119.824 121.223 -0.012 0.000 2.529 117 L HA 0.194 4.534 4.340 -0.000 0.000 0.223 117 L C 1.022 177.886 176.870 -0.009 0.000 1.113 117 L CA 0.304 55.139 54.840 -0.008 0.000 0.861 117 L CB 0.212 42.272 42.059 0.001 0.000 1.012 117 L HN 0.373 nan 8.230 nan 0.000 0.461 118 G N 1.450 110.241 108.800 -0.014 0.000 2.198 118 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 118 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 118 G C 0.033 174.922 174.900 -0.020 0.000 1.042 118 G CA 0.318 45.408 45.100 -0.015 0.000 0.791 118 G HN 0.297 nan 8.290 nan 0.000 0.502 119 V N -3.307 116.589 119.914 -0.029 0.000 2.914 119 V HA 0.963 5.083 4.120 -0.000 0.000 0.314 119 V C -2.309 173.724 176.094 -0.101 0.000 1.084 119 V CA -2.656 59.608 62.300 -0.060 0.000 0.963 119 V CB 2.530 34.321 31.823 -0.054 0.000 1.025 119 V HN 0.087 nan 8.190 nan 0.000 0.432 120 P HA 0.214 nan 4.420 nan 0.000 0.271 120 P C 0.638 177.763 177.300 -0.292 0.000 1.218 120 P CA 0.351 63.314 63.100 -0.227 0.000 0.780 120 P CB 1.445 32.893 31.700 -0.419 0.000 0.901 121 A N 3.306 125.955 122.820 -0.285 0.000 2.019 121 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 121 A C 1.961 179.557 177.584 0.019 0.000 1.164 121 A CA 1.511 53.450 52.037 -0.164 0.000 0.644 121 A CB -1.780 17.048 19.000 -0.287 0.000 0.805 121 A HN 0.700 nan 8.150 nan 0.000 0.449 122 Y N -0.353 120.147 120.300 0.333 0.000 2.256 122 Y HA -0.148 4.402 4.550 -0.001 0.000 0.288 122 Y C 1.871 177.840 175.900 0.116 0.000 1.155 122 Y CA 1.453 59.676 58.100 0.205 0.000 1.203 122 Y CB -0.732 37.825 38.460 0.161 0.000 0.980 122 Y HN 0.169 nan 8.280 nan 0.000 0.530 123 K N 0.725 121.084 120.400 -0.067 0.000 2.097 123 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 123 K C 1.889 178.548 176.600 0.098 0.000 1.049 123 K CA 1.666 57.973 56.287 0.033 0.000 0.933 123 K CB -0.285 32.158 32.500 -0.095 0.000 0.717 123 K HN 0.399 nan 8.250 nan 0.000 0.442 124 L N 0.204 121.493 121.223 0.110 0.000 2.465 124 L HA -0.018 4.321 4.340 -0.000 0.000 0.224 124 L C 1.772 178.764 176.870 0.204 0.000 1.145 124 L CA 0.557 55.529 54.840 0.221 0.000 0.834 124 L CB -0.079 42.170 42.059 0.316 0.000 0.944 124 L HN 0.214 nan 8.230 nan 0.000 0.451 125 M N -1.105 118.571 119.600 0.126 0.000 2.453 125 M HA 0.217 4.697 4.480 -0.000 0.000 0.239 125 M C 1.250 177.609 176.300 0.097 0.000 1.151 125 M CA 0.541 55.882 55.300 0.069 0.000 0.989 125 M CB 0.691 33.298 32.600 0.012 0.000 1.548 125 M HN 0.325 nan 8.290 nan 0.000 0.479 126 G N -0.009 108.864 108.800 0.121 0.000 2.316 126 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.203 126 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.203 126 G C 0.393 175.354 174.900 0.103 0.000 0.999 126 G CA -0.391 44.770 45.100 0.101 0.000 0.649 126 G HN 0.915 nan 8.290 nan 0.000 0.489 127 G N -0.656 108.234 108.800 0.151 0.000 2.587 127 G HA2 0.501 4.461 3.960 -0.000 0.000 0.686 127 G HA3 0.501 4.461 3.960 -0.000 0.000 0.686 127 G C 0.101 175.076 174.900 0.126 0.000 1.236 127 G CA 0.825 46.038 45.100 0.189 0.000 0.820 127 G HN 2.119 nan 8.290 nan 0.000 0.645 128 A N 0.280 123.154 122.820 0.090 0.000 2.488 128 A HA 0.618 4.938 4.320 -0.000 0.000 0.249 128 A C 0.960 178.496 177.584 -0.080 0.000 1.083 128 A CA 1.089 53.053 52.037 -0.121 0.000 0.768 128 A CB 0.500 19.297 19.000 -0.338 0.000 1.017 128 A HN 0.858 nan 8.150 nan 0.000 0.496 129 Q N 0.257 120.004 119.800 -0.088 0.000 2.140 129 Q HA 0.108 4.448 4.340 -0.000 0.000 0.227 129 Q C -0.274 175.689 176.000 -0.061 0.000 0.798 129 Q CA 0.114 55.875 55.803 -0.071 0.000 0.987 129 Q CB 0.525 29.227 28.738 -0.059 0.000 1.161 129 Q HN 0.868 nan 8.270 nan 0.000 0.480 130 K N -2.050 118.299 120.400 -0.086 0.000 2.385 130 K HA 0.743 5.062 4.320 -0.000 0.000 0.248 130 K C 0.240 176.780 176.600 -0.099 0.000 0.955 130 K CA -0.331 55.909 56.287 -0.079 0.000 0.816 130 K CB 1.492 33.950 32.500 -0.070 0.000 1.250 130 K HN -0.134 nan 8.250 nan 0.000 0.434 131 A N 1.326 124.099 122.820 -0.078 0.000 1.898 131 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 131 A C 0.543 178.076 177.584 -0.085 0.000 1.181 131 A CA 1.258 53.250 52.037 -0.075 0.000 0.620 131 A CB -0.222 18.747 19.000 -0.053 0.000 0.819 131 A HN 0.750 nan 8.150 nan 0.000 0.442 132 Q N -1.931 117.821 119.800 -0.081 0.000 2.456 132 Q HA 0.533 4.872 4.340 -0.000 0.000 0.284 132 Q C -1.990 173.960 176.000 -0.085 0.000 1.061 132 Q CA -0.927 54.828 55.803 -0.080 0.000 0.799 132 Q CB 2.166 30.873 28.738 -0.052 0.000 1.445 132 Q HN 0.288 nan 8.270 nan 0.000 0.411 133 L N 1.413 122.581 121.223 -0.092 0.000 2.255 133 L HA 0.403 4.742 4.340 -0.000 0.000 0.289 133 L C -1.031 175.801 176.870 -0.064 0.000 1.046 133 L CA 0.517 55.304 54.840 -0.089 0.000 0.816 133 L CB 1.152 43.141 42.059 -0.117 0.000 1.197 133 L HN 0.510 nan 8.230 nan 0.000 0.427 134 T N 7.058 121.597 114.554 -0.025 0.000 2.947 134 T HA 0.474 4.824 4.350 -0.000 0.000 0.337 134 T C -2.491 172.244 174.700 0.059 0.000 1.139 134 T CA -1.061 61.063 62.100 0.040 0.000 0.992 134 T CB 0.913 69.840 68.868 0.099 0.000 1.043 134 T HN 0.391 nan 8.240 nan 0.000 0.498 135 P HA 0.300 nan 4.420 nan 0.000 0.276 135 P C -1.023 175.997 177.300 -0.467 0.000 1.261 135 P CA -0.736 62.126 63.100 -0.396 0.000 0.800 135 P CB 0.361 31.524 31.700 -0.894 0.000 1.066 136 Y N -1.001 118.977 120.300 -0.537 0.000 2.342 136 Y HA 0.677 5.227 4.550 -0.001 0.000 0.334 136 Y C -1.180 174.362 175.900 -0.596 0.000 1.067 136 Y CA -1.563 56.144 58.100 -0.655 0.000 1.128 136 Y CB 0.320 38.380 38.460 -0.668 0.000 1.200 136 Y HN 0.076 nan 8.280 nan 0.000 0.464 137 F N 2.033 122.011 119.950 0.045 0.000 2.410 137 F HA 0.397 4.924 4.527 0.000 0.000 0.349 137 F C 0.482 176.343 175.800 0.102 0.000 1.117 137 F CA -0.692 57.331 58.000 0.038 0.000 1.104 137 F CB 1.556 40.479 39.000 -0.129 0.000 1.122 137 F HN 0.521 nan 8.300 nan 0.000 0.483 138 T N 5.563 120.315 114.554 0.330 0.000 2.779 138 T HA 0.405 4.755 4.350 -0.000 0.000 0.296 138 T C -0.068 174.861 174.700 0.382 0.000 0.938 138 T CA -0.282 62.044 62.100 0.376 0.000 1.119 138 T CB -0.074 69.067 68.868 0.455 0.000 0.891 138 T HN 0.303 nan 8.240 nan 0.000 0.526 139 L N 4.508 125.916 121.223 0.308 0.000 2.280 139 L HA 0.513 4.853 4.340 -0.000 0.000 0.287 139 L C -0.814 176.322 176.870 0.443 0.000 1.023 139 L CA -1.029 54.031 54.840 0.366 0.000 0.819 139 L CB 0.686 42.937 42.059 0.321 0.000 1.212 139 L HN 0.606 nan 8.230 nan 0.000 0.420 140 Y N 5.876 126.323 120.300 0.244 0.000 2.338 140 Y HA 0.520 5.070 4.550 -0.001 0.000 0.333 140 Y C -2.423 173.556 175.900 0.131 0.000 0.968 140 Y CA -2.022 56.130 58.100 0.085 0.000 1.123 140 Y CB 2.135 40.530 38.460 -0.109 0.000 1.165 140 Y HN 0.359 nan 8.280 nan 0.000 0.452 141 P HA 0.148 nan 4.420 nan 0.000 0.282 141 P C -0.814 176.504 177.300 0.030 0.000 1.249 141 P CA -0.430 62.513 63.100 -0.262 0.000 0.806 141 P CB 1.830 33.156 31.700 -0.623 0.000 0.984 142 S N 1.500 117.278 115.700 0.129 0.000 2.416 142 S HA 0.470 4.940 4.470 -0.000 0.000 0.287 142 S C -0.082 174.544 174.600 0.042 0.000 1.139 142 S CA -0.408 57.873 58.200 0.136 0.000 1.058 142 S CB -1.083 62.145 63.200 0.047 0.000 0.967 142 S HN 0.336 nan 8.310 nan 0.000 0.495 143 V N 2.232 122.176 119.914 0.050 0.000 3.188 143 V HA 0.944 5.064 4.120 -0.000 0.000 0.305 143 V C 0.093 176.211 176.094 0.040 0.000 1.232 143 V CA -1.315 60.995 62.300 0.018 0.000 1.043 143 V CB 0.964 32.774 31.823 -0.021 0.000 1.068 143 V HN 0.883 nan 8.190 nan 0.000 0.439 144 A N 1.267 124.103 122.820 0.026 0.000 2.425 144 A HA 0.776 5.096 4.320 -0.000 0.000 0.242 144 A C 0.805 178.407 177.584 0.030 0.000 1.077 144 A CA 0.272 52.328 52.037 0.030 0.000 0.781 144 A CB 0.087 19.098 19.000 0.020 0.000 1.020 144 A HN 2.368 nan 8.150 nan 0.000 0.494 145 A N 0.823 123.665 122.820 0.037 0.000 2.498 145 A HA 0.468 4.788 4.320 -0.000 0.000 0.239 145 A C 1.255 178.847 177.584 0.014 0.000 1.068 145 A CA 1.368 53.424 52.037 0.032 0.000 0.766 145 A CB -0.940 18.083 19.000 0.037 0.000 1.003 145 A HN 2.560 nan 8.150 nan 0.000 0.497 146 D N -1.138 119.265 120.400 0.004 0.000 3.077 146 D HA 0.187 4.827 4.640 -0.000 0.000 0.212 146 D C 0.680 176.974 176.300 -0.011 0.000 1.125 146 D CA 1.496 55.492 54.000 -0.007 0.000 0.970 146 D CB -2.177 38.622 40.800 -0.002 0.000 1.110 146 D HN 2.393 nan 8.370 nan 0.000 0.419 147 A N 0.158 122.973 122.820 -0.009 0.000 2.507 147 A HA 0.570 4.890 4.320 -0.000 0.000 0.235 147 A C 1.392 178.961 177.584 -0.025 0.000 1.070 147 A CA 1.135 53.166 52.037 -0.011 0.000 0.768 147 A CB 0.128 19.123 19.000 -0.008 0.000 1.011 147 A HN 1.784 nan 8.150 nan 0.000 0.502 148 T N 0.266 114.811 114.554 -0.015 0.000 2.882 148 T HA 0.422 4.772 4.350 -0.000 0.000 0.287 148 T C 1.254 175.940 174.700 -0.024 0.000 1.014 148 T CA -0.394 61.692 62.100 -0.023 0.000 1.049 148 T CB 0.419 69.283 68.868 -0.006 0.000 1.001 148 T HN 0.419 nan 8.240 nan 0.000 0.525 149 L N 1.157 122.348 121.223 -0.054 0.000 2.042 149 L HA -0.118 4.221 4.340 -0.000 0.000 0.210 149 L C 3.175 180.115 176.870 0.117 0.000 1.076 149 L CA 1.646 56.455 54.840 -0.051 0.000 0.749 149 L CB -0.898 41.096 42.059 -0.108 0.000 0.893 149 L HN 0.879 nan 8.230 nan 0.000 0.432 150 S N -0.294 115.456 115.700 0.083 0.000 2.368 150 S HA -0.215 4.254 4.470 -0.000 0.000 0.225 150 S C 1.847 176.502 174.600 0.091 0.000 1.030 150 S CA 1.617 59.873 58.200 0.094 0.000 0.999 150 S CB -0.097 63.139 63.200 0.059 0.000 0.844 150 S HN 0.458 nan 8.310 nan 0.000 0.459 151 E N 0.297 120.535 120.200 0.064 0.000 2.106 151 E HA -0.068 4.281 4.350 -0.000 0.000 0.192 151 E C 2.009 178.652 176.600 0.073 0.000 0.984 151 E CA 1.289 57.721 56.400 0.053 0.000 0.806 151 E CB -0.202 29.515 29.700 0.028 0.000 0.750 151 E HN 0.562 nan 8.360 nan 0.000 0.458 152 I N 0.549 121.180 120.570 0.103 0.000 2.226 152 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 152 I C 2.306 178.592 176.117 0.281 0.000 1.100 152 I CA 0.741 62.131 61.300 0.150 0.000 1.374 152 I CB -0.258 37.852 38.000 0.182 0.000 1.057 152 I HN -0.008 nan 8.210 nan 0.000 0.413 153 V N 0.689 120.797 119.914 0.323 0.000 2.282 153 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 153 V C 2.519 178.717 176.094 0.172 0.000 1.057 153 V CA 1.837 64.284 62.300 0.246 0.000 1.032 153 V CB -0.646 31.267 31.823 0.150 0.000 0.645 153 V HN 0.412 nan 8.190 nan 0.000 0.447 154 E N 0.167 120.437 120.200 0.118 0.000 2.153 154 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 154 E C 2.300 178.941 176.600 0.068 0.000 0.988 154 E CA 1.433 57.879 56.400 0.078 0.000 0.811 154 E CB -0.513 29.221 29.700 0.055 0.000 0.746 154 E HN 0.602 nan 8.360 nan 0.000 0.466 155 A N 0.054 122.906 122.820 0.055 0.000 1.968 155 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 155 A C 1.921 179.497 177.584 -0.013 0.000 1.169 155 A CA 0.816 52.852 52.037 -0.002 0.000 0.638 155 A CB -0.638 18.326 19.000 -0.061 0.000 0.812 155 A HN 0.190 nan 8.150 nan 0.000 0.446 156 Y N 0.519 120.837 120.300 0.030 0.000 2.274 156 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 156 Y C 2.326 178.231 175.900 0.008 0.000 1.145 156 Y CA 1.715 59.824 58.100 0.014 0.000 1.203 156 Y CB -0.172 38.272 38.460 -0.026 0.000 0.984 156 Y HN 0.290 nan 8.280 nan 0.000 0.533 157 K N -0.385 120.106 120.400 0.151 0.000 2.032 157 K HA -0.174 4.145 4.320 -0.000 0.000 0.209 157 K C -0.621 176.027 176.600 0.079 0.000 1.048 157 K CA 1.854 58.194 56.287 0.089 0.000 0.927 157 K CB -1.274 31.261 32.500 0.057 0.000 0.712 157 K HN 0.294 nan 8.250 nan 0.000 0.441 158 P HA -0.093 nan 4.420 nan 0.000 0.222 158 P C 1.309 178.676 177.300 0.112 0.000 1.153 158 P CA 1.056 64.201 63.100 0.075 0.000 0.798 158 P CB 0.069 31.804 31.700 0.058 0.000 0.796 159 L N -0.703 120.605 121.223 0.142 0.000 2.027 159 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 159 L C 2.722 179.683 176.870 0.151 0.000 1.074 159 L CA 1.404 56.369 54.840 0.208 0.000 0.745 159 L CB -0.799 41.389 42.059 0.215 0.000 0.898 159 L HN -0.156 nan 8.230 nan 0.000 0.433 160 I N -0.243 120.391 120.570 0.106 0.000 2.226 160 I HA -0.286 3.883 4.170 -0.000 0.000 0.245 160 I C 2.780 178.912 176.117 0.026 0.000 1.100 160 I CA 1.137 62.453 61.300 0.027 0.000 1.374 160 I CB -0.441 37.559 38.000 -0.002 0.000 1.057 160 I HN 0.207 nan 8.210 nan 0.000 0.413 161 A N 0.474 123.322 122.820 0.047 0.000 1.940 161 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 161 A C 2.381 180.002 177.584 0.062 0.000 1.176 161 A CA 1.877 53.938 52.037 0.041 0.000 0.631 161 A CB -0.518 18.505 19.000 0.039 0.000 0.814 161 A HN 0.339 nan 8.150 nan 0.000 0.446 162 K N -0.545 119.924 120.400 0.114 0.000 2.097 162 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 162 K C 2.186 178.918 176.600 0.220 0.000 1.050 162 K CA 0.966 57.350 56.287 0.161 0.000 0.938 162 K CB -0.276 32.357 32.500 0.221 0.000 0.718 162 K HN 0.404 nan 8.250 nan 0.000 0.442 163 A N 1.609 124.554 122.820 0.208 0.000 1.902 163 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 163 A C 1.853 179.446 177.584 0.015 0.000 1.181 163 A CA 1.652 53.725 52.037 0.060 0.000 0.623 163 A CB -0.321 18.569 19.000 -0.184 0.000 0.818 163 A HN 0.272 nan 8.150 nan 0.000 0.443 164 K N -0.617 119.787 120.400 0.008 0.000 2.097 164 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 164 K C 2.066 178.668 176.600 0.003 0.000 1.049 164 K CA 1.178 57.464 56.287 -0.001 0.000 0.933 164 K CB -0.127 32.371 32.500 -0.004 0.000 0.717 164 K HN 0.468 nan 8.250 nan 0.000 0.442 165 E N 0.865 121.071 120.200 0.011 0.000 2.110 165 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 165 E C 1.695 178.284 176.600 -0.019 0.000 0.988 165 E CA 0.955 57.355 56.400 -0.001 0.000 0.804 165 E CB 0.242 29.943 29.700 0.002 0.000 0.745 165 E HN 0.116 nan 8.360 nan 0.000 0.458 166 R N -0.694 119.789 120.500 -0.028 0.000 2.323 166 R HA 0.018 4.358 4.340 -0.000 0.000 0.198 166 R C 1.283 177.552 176.300 -0.051 0.000 0.988 166 R CA 0.710 56.767 56.100 -0.071 0.000 1.041 166 R CB -0.475 29.741 30.300 -0.139 0.000 0.926 166 R HN 0.290 nan 8.270 nan 0.000 0.476 167 G N 0.684 109.472 108.800 -0.021 0.000 2.176 167 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.252 167 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.252 167 G C 0.296 175.211 174.900 0.024 0.000 1.024 167 G CA 0.295 45.395 45.100 0.000 0.000 0.755 167 G HN 0.584 nan 8.290 nan 0.000 0.507 168 A N -0.630 122.202 122.820 0.021 0.000 2.483 168 A HA 0.624 4.944 4.320 -0.000 0.000 0.238 168 A C 1.417 179.046 177.584 0.075 0.000 1.070 168 A CA 0.797 52.892 52.037 0.097 0.000 0.770 168 A CB 0.451 19.500 19.000 0.081 0.000 1.008 168 A HN 0.208 nan 8.150 nan 0.000 0.497 169 K N 0.320 120.779 120.400 0.098 0.000 2.323 169 K HA 0.357 4.676 4.320 -0.000 0.000 0.197 169 K C 0.421 176.955 176.600 -0.109 0.000 1.043 169 K CA 1.269 57.588 56.287 0.054 0.000 0.997 169 K CB 0.046 32.661 32.500 0.193 0.000 0.807 169 K HN 0.883 nan 8.250 nan 0.000 0.497 170 A N 0.525 123.206 122.820 -0.232 0.000 2.589 170 A HA 0.590 4.910 4.320 -0.000 0.000 0.296 170 A C -1.093 176.348 177.584 -0.239 0.000 1.062 170 A CA -0.707 51.076 52.037 -0.424 0.000 0.686 170 A CB 1.462 19.828 19.000 -1.055 0.000 1.282 170 A HN -0.063 nan 8.150 nan 0.000 0.404 171 V N -1.263 118.499 119.914 -0.253 0.000 3.007 171 V HA 0.830 4.949 4.120 -0.000 0.000 0.311 171 V C -0.660 175.301 176.094 -0.222 0.000 1.120 171 V CA -0.936 61.280 62.300 -0.141 0.000 0.980 171 V CB 1.736 33.477 31.823 -0.137 0.000 1.033 171 V HN 1.061 nan 8.190 nan 0.000 0.429 172 K N 2.140 122.490 120.400 -0.084 0.000 2.182 172 K HA 0.808 5.127 4.320 -0.000 0.000 0.262 172 K C -0.587 175.995 176.600 -0.030 0.000 0.957 172 K CA -0.555 55.656 56.287 -0.127 0.000 0.842 172 K CB 1.922 34.422 32.500 0.000 0.000 1.099 172 K HN 1.126 nan 8.250 nan 0.000 0.438 173 V N 0.033 119.879 119.914 -0.112 0.000 3.103 173 V HA 0.722 4.842 4.120 -0.000 0.000 0.318 173 V C -0.770 175.354 176.094 0.050 0.000 1.114 173 V CA -0.814 61.419 62.300 -0.111 0.000 1.020 173 V CB 1.493 32.986 31.823 -0.549 0.000 1.085 173 V HN 0.884 nan 8.190 nan 0.000 0.446 174 C N 1.567 120.986 119.300 0.197 0.000 2.712 174 C HA 0.653 5.113 4.460 -0.000 0.000 0.308 174 C C -0.051 175.118 174.990 0.298 0.000 1.201 174 C CA -0.588 58.571 59.018 0.236 0.000 1.554 174 C CB 1.077 28.974 27.740 0.262 0.000 2.117 174 C HN 0.836 nan 8.230 nan 0.000 0.480 175 I N 3.958 124.670 120.570 0.236 0.000 2.269 175 I HA 0.166 4.336 4.170 -0.000 0.000 0.293 175 I C 0.058 176.210 176.117 0.058 0.000 1.106 175 I CA -0.004 61.386 61.300 0.150 0.000 1.248 175 I CB 0.045 38.108 38.000 0.105 0.000 1.444 175 I HN 0.444 nan 8.210 nan 0.000 0.497 176 I N 8.194 128.778 120.570 0.023 0.000 2.821 176 I HA 0.002 4.172 4.170 -0.000 0.000 0.294 176 I C -1.838 174.263 176.117 -0.026 0.000 1.210 176 I CA -1.582 59.727 61.300 0.015 0.000 1.430 176 I CB -0.697 37.283 38.000 -0.032 0.000 1.356 176 I HN 0.239 nan 8.210 nan 0.000 0.563 177 P HA 0.048 nan 4.420 nan 0.000 0.261 177 P C -0.129 177.140 177.300 -0.052 0.000 1.183 177 P CA 0.391 63.476 63.100 -0.025 0.000 0.761 177 P CB 0.332 32.042 31.700 0.016 0.000 0.785 178 N N 2.878 121.523 118.700 -0.093 0.000 2.747 178 N HA 0.030 4.770 4.740 -0.000 0.000 0.262 178 N C -0.199 175.244 175.510 -0.112 0.000 1.261 178 N CA -0.366 52.627 53.050 -0.096 0.000 0.809 178 N CB 0.661 39.076 38.487 -0.120 0.000 1.450 178 N HN 0.173 nan 8.380 nan 0.000 0.560 179 D N 1.955 122.304 120.400 -0.085 0.000 2.347 179 D HA -0.056 4.583 4.640 -0.000 0.000 0.213 179 D C 0.395 176.649 176.300 -0.078 0.000 0.985 179 D CA 0.869 54.817 54.000 -0.087 0.000 0.879 179 D CB 0.123 40.885 40.800 -0.062 0.000 0.919 179 D HN 0.542 nan 8.370 nan 0.000 0.526 180 K N 0.135 120.494 120.400 -0.069 0.000 2.504 180 K HA 0.296 4.616 4.320 -0.000 0.000 0.199 180 K C -0.259 176.302 176.600 -0.065 0.000 1.028 180 K CA -0.143 56.109 56.287 -0.058 0.000 1.164 180 K CB 0.861 33.333 32.500 -0.046 0.000 0.877 180 K HN -0.015 nan 8.250 nan 0.000 0.508 181 V N 1.353 121.216 119.914 -0.084 0.000 2.709 181 V HA 0.213 4.333 4.120 -0.000 0.000 0.308 181 V C -0.465 175.576 176.094 -0.088 0.000 1.062 181 V CA -0.847 61.401 62.300 -0.085 0.000 0.901 181 V CB 2.196 33.953 31.823 -0.111 0.000 1.003 181 V HN 0.415 nan 8.190 nan 0.000 0.425 182 S N 2.650 118.314 115.700 -0.060 0.000 2.652 182 S HA 0.301 4.770 4.470 -0.000 0.000 0.270 182 S C 0.618 175.210 174.600 -0.013 0.000 1.243 182 S CA -0.405 57.763 58.200 -0.053 0.000 0.999 182 S CB 1.263 64.433 63.200 -0.049 0.000 0.973 182 S HN 0.679 nan 8.310 nan 0.000 0.544 183 D N 0.693 121.105 120.400 0.020 0.000 2.144 183 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 183 D C 1.701 178.161 176.300 0.266 0.000 0.984 183 D CA 0.925 55.031 54.000 0.177 0.000 0.834 183 D CB -0.171 40.793 40.800 0.273 0.000 0.955 183 D HN 0.427 nan 8.370 nan 0.000 0.465 184 K N 1.297 121.819 120.400 0.205 0.000 2.020 184 K HA -0.169 4.150 4.320 -0.000 0.000 0.212 184 K C 1.840 178.537 176.600 0.162 0.000 1.050 184 K CA 1.347 57.788 56.287 0.256 0.000 0.929 184 K CB -0.418 32.173 32.500 0.151 0.000 0.714 184 K HN 0.257 nan 8.250 nan 0.000 0.443 185 E N -0.244 120.013 120.200 0.095 0.000 2.153 185 E HA -0.132 4.217 4.350 -0.000 0.000 0.194 185 E C 1.921 178.577 176.600 0.093 0.000 0.988 185 E CA 0.841 57.282 56.400 0.068 0.000 0.811 185 E CB -0.048 29.661 29.700 0.015 0.000 0.746 185 E HN 0.187 nan 8.360 nan 0.000 0.466 186 I N 0.554 121.184 120.570 0.100 0.000 2.315 186 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 186 I C 2.344 178.580 176.117 0.198 0.000 1.117 186 I CA 0.855 62.243 61.300 0.146 0.000 1.404 186 I CB -0.943 37.137 38.000 0.132 0.000 1.071 186 I HN 0.022 nan 8.210 nan 0.000 0.419 187 V N 1.570 121.577 119.914 0.155 0.000 2.282 187 V HA -0.310 3.809 4.120 -0.000 0.000 0.249 187 V C 2.844 178.987 176.094 0.080 0.000 1.057 187 V CA 2.106 64.455 62.300 0.082 0.000 1.032 187 V CB -1.085 30.768 31.823 0.050 0.000 0.645 187 V HN 0.471 nan 8.190 nan 0.000 0.447 188 A N -1.120 121.762 122.820 0.104 0.000 1.902 188 A HA -0.267 4.052 4.320 -0.000 0.000 0.217 188 A C 2.152 179.805 177.584 0.115 0.000 1.181 188 A CA 2.065 54.155 52.037 0.089 0.000 0.623 188 A CB -0.814 18.238 19.000 0.087 0.000 0.818 188 A HN 0.676 nan 8.150 nan 0.000 0.443 189 Y N 0.680 120.984 120.300 0.008 0.000 2.081 189 Y HA -0.220 4.329 4.550 -0.001 0.000 0.280 189 Y C 1.908 177.791 175.900 -0.028 0.000 1.163 189 Y CA 2.126 60.224 58.100 -0.004 0.000 1.135 189 Y CB -0.359 38.104 38.460 0.007 0.000 0.970 189 Y HN 0.209 nan 8.280 nan 0.000 0.498 190 L N -0.302 120.902 121.223 -0.033 0.000 2.156 190 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 190 L C 2.676 179.447 176.870 -0.167 0.000 1.095 190 L CA 1.112 55.840 54.840 -0.188 0.000 0.770 190 L CB -0.512 41.538 42.059 -0.014 0.000 0.914 190 L HN 0.167 nan 8.230 nan 0.000 0.439 191 R N 0.115 120.567 120.500 -0.079 0.000 2.073 191 R HA -0.216 4.124 4.340 -0.000 0.000 0.234 191 R C 2.211 178.450 176.300 -0.101 0.000 1.134 191 R CA 1.661 57.719 56.100 -0.069 0.000 0.952 191 R CB -0.257 30.034 30.300 -0.015 0.000 0.850 191 R HN 0.381 nan 8.270 nan 0.000 0.433 192 E N 0.819 120.963 120.200 -0.094 0.000 2.118 192 E HA -0.188 4.161 4.350 -0.000 0.000 0.195 192 E C 1.973 178.465 176.600 -0.180 0.000 0.992 192 E CA 0.939 57.279 56.400 -0.099 0.000 0.804 192 E CB 0.023 29.693 29.700 -0.050 0.000 0.741 192 E HN 0.280 nan 8.360 nan 0.000 0.458 193 L N 0.194 121.239 121.223 -0.297 0.000 2.093 193 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 193 L C 2.733 179.401 176.870 -0.336 0.000 1.085 193 L CA 0.929 55.543 54.840 -0.378 0.000 0.755 193 L CB -0.278 41.425 42.059 -0.592 0.000 0.904 193 L HN 0.075 nan 8.230 nan 0.000 0.435 194 R N 0.947 121.253 120.500 -0.324 0.000 2.081 194 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 194 R C 1.949 178.012 176.300 -0.395 0.000 1.131 194 R CA 1.646 57.502 56.100 -0.407 0.000 0.960 194 R CB -0.384 29.659 30.300 -0.429 0.000 0.856 194 R HN 0.354 nan 8.270 nan 0.000 0.436 195 E N -0.399 119.660 120.200 -0.235 0.000 2.070 195 E HA -0.200 4.149 4.350 -0.000 0.000 0.197 195 E C 1.917 178.430 176.600 -0.146 0.000 1.004 195 E CA 1.911 58.230 56.400 -0.134 0.000 0.805 195 E CB -0.198 29.469 29.700 -0.054 0.000 0.744 195 E HN 0.158 nan 8.360 nan 0.000 0.451 196 V N 1.067 120.886 119.914 -0.157 0.000 2.358 196 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 196 V C 2.190 178.193 176.094 -0.151 0.000 1.047 196 V CA 1.513 63.738 62.300 -0.125 0.000 1.035 196 V CB -0.359 31.396 31.823 -0.114 0.000 0.658 196 V HN 0.261 nan 8.190 nan 0.000 0.452 197 I N -0.454 119.979 120.570 -0.229 0.000 2.617 197 I HA 0.176 4.345 4.170 -0.000 0.000 0.256 197 I C 1.508 177.480 176.117 -0.241 0.000 1.167 197 I CA 0.897 62.057 61.300 -0.234 0.000 1.469 197 I CB -0.601 37.223 38.000 -0.294 0.000 1.098 197 I HN 0.520 nan 8.210 nan 0.000 0.436 198 G N 0.333 108.936 108.800 -0.329 0.000 2.698 198 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.233 198 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.233 198 G C -0.456 174.140 174.900 -0.505 0.000 1.352 198 G CA 0.042 44.950 45.100 -0.319 0.000 0.879 198 G HN 0.373 nan 8.290 nan 0.000 0.567 199 W N -0.796 120.489 121.300 -0.025 0.000 2.846 199 W HA 0.503 5.162 4.660 -0.001 0.000 0.391 199 W C 1.275 177.787 176.519 -0.010 0.000 1.011 199 W CA 0.262 57.596 57.345 -0.019 0.000 1.832 199 W CB 0.807 30.259 29.460 -0.014 0.000 1.151 199 W HN 0.472 nan 8.180 nan 0.000 0.582 200 D N 0.124 120.595 120.400 0.119 0.000 2.369 200 D HA 0.183 4.823 4.640 -0.000 0.000 0.211 200 D C 0.505 176.828 176.300 0.039 0.000 1.077 200 D CA 0.628 54.679 54.000 0.086 0.000 0.842 200 D CB 0.319 41.158 40.800 0.066 0.000 0.947 200 D HN -0.089 nan 8.370 nan 0.000 0.509 201 M N 0.562 120.155 119.600 -0.012 0.000 2.393 201 M HA 0.256 4.736 4.480 -0.000 0.000 0.316 201 M C -0.865 175.385 176.300 -0.084 0.000 1.087 201 M CA -0.908 54.360 55.300 -0.054 0.000 0.937 201 M CB 2.248 34.789 32.600 -0.100 0.000 1.668 201 M HN -0.247 nan 8.290 nan 0.000 0.438 202 D N 3.318 123.663 120.400 -0.092 0.000 2.455 202 D HA 0.165 4.805 4.640 -0.000 0.000 0.241 202 D C -0.645 175.497 176.300 -0.265 0.000 1.138 202 D CA 0.573 54.493 54.000 -0.134 0.000 0.877 202 D CB 1.052 41.745 40.800 -0.180 0.000 1.187 202 D HN 0.504 nan 8.370 nan 0.000 0.451 203 M N 2.932 122.392 119.600 -0.233 0.000 2.243 203 M HA 0.356 4.836 4.480 -0.000 0.000 0.324 203 M C -1.590 174.500 176.300 -0.351 0.000 1.031 203 M CA -0.613 54.508 55.300 -0.299 0.000 0.949 203 M CB 0.993 33.425 32.600 -0.279 0.000 1.615 203 M HN 0.157 nan 8.290 nan 0.000 0.430 204 M N 4.373 123.672 119.600 -0.502 0.000 2.598 204 M HA 0.631 5.111 4.480 -0.000 0.000 0.317 204 M C -1.140 174.932 176.300 -0.380 0.000 1.179 204 M CA -0.603 54.276 55.300 -0.702 0.000 0.936 204 M CB 2.326 34.076 32.600 -1.417 0.000 1.713 204 M HN 0.430 nan 8.290 nan 0.000 0.460 205 V N 0.886 120.677 119.914 -0.206 0.000 2.531 205 V HA 0.403 4.523 4.120 -0.000 0.000 0.301 205 V C -1.220 174.949 176.094 0.124 0.000 1.034 205 V CA -0.813 61.485 62.300 -0.003 0.000 0.865 205 V CB 1.952 33.835 31.823 0.099 0.000 0.995 205 V HN 0.769 nan 8.190 nan 0.000 0.424 206 D N 2.980 123.461 120.400 0.135 0.000 2.359 206 D HA 0.252 4.892 4.640 -0.000 0.000 0.230 206 D C 0.711 177.094 176.300 0.138 0.000 1.118 206 D CA -0.247 53.837 54.000 0.141 0.000 0.844 206 D CB 1.514 42.392 40.800 0.130 0.000 1.059 206 D HN 0.544 nan 8.370 nan 0.000 0.493 207 C N 3.457 122.836 119.300 0.133 0.000 2.539 207 C HA 0.151 4.611 4.460 -0.000 0.000 0.268 207 C C 1.686 176.715 174.990 0.064 0.000 1.395 207 C CA -0.320 58.819 59.018 0.202 0.000 1.757 207 C CB -1.577 26.410 27.740 0.411 0.000 1.851 207 C HN 0.812 nan 8.230 nan 0.000 0.545 208 L N -0.381 120.810 121.223 -0.053 0.000 3.678 208 L HA -0.290 4.050 4.340 -0.000 0.000 0.425 208 L C -0.061 176.861 176.870 0.086 0.000 1.240 208 L CA 0.131 54.962 54.840 -0.015 0.000 0.876 208 L CB -2.118 39.991 42.059 0.084 0.000 1.766 208 L HN 0.563 nan 8.230 nan 0.000 0.917 209 Y N -2.901 117.494 120.300 0.158 0.000 3.929 209 Y HA -0.336 4.213 4.550 -0.002 0.000 0.225 209 Y C 1.773 177.740 175.900 0.113 0.000 1.200 209 Y CA 1.299 59.501 58.100 0.171 0.000 1.791 209 Y CB -1.790 36.757 38.460 0.144 0.000 1.561 209 Y HN 0.521 nan 8.280 nan 0.000 0.657 210 R N -0.188 120.372 120.500 0.099 0.000 2.081 210 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 210 R C 0.560 176.780 176.300 -0.133 0.000 1.131 210 R CA 1.402 57.403 56.100 -0.165 0.000 0.960 210 R CB 0.104 30.038 30.300 -0.610 0.000 0.856 210 R HN 0.372 nan 8.270 nan 0.000 0.436 211 W N 0.143 121.525 121.300 0.136 0.000 2.449 211 W HA 0.153 4.814 4.660 0.001 0.000 0.331 211 W C 0.923 177.517 176.519 0.125 0.000 1.119 211 W CA -0.183 57.233 57.345 0.118 0.000 1.240 211 W CB 1.696 31.234 29.460 0.130 0.000 1.251 211 W HN 0.138 nan 8.180 nan 0.000 0.576 212 T N -2.724 112.030 114.554 0.333 0.000 3.026 212 T HA -0.035 4.315 4.350 -0.000 0.000 0.245 212 T C -0.012 174.823 174.700 0.225 0.000 1.004 212 T CA 0.226 62.469 62.100 0.239 0.000 1.069 212 T CB 0.032 68.996 68.868 0.160 0.000 1.005 212 T HN 0.157 nan 8.240 nan 0.000 0.472 213 D N 1.706 122.236 120.400 0.217 0.000 2.316 213 D HA 0.125 4.764 4.640 -0.000 0.000 0.245 213 D C 1.169 177.537 176.300 0.113 0.000 1.171 213 D CA -1.072 53.012 54.000 0.140 0.000 0.856 213 D CB 0.498 41.331 40.800 0.056 0.000 1.090 213 D HN 0.478 nan 8.370 nan 0.000 0.476 214 W N 4.027 125.343 121.300 0.027 0.000 2.392 214 W HA -0.129 4.537 4.660 0.009 0.000 0.279 214 W C 0.594 177.094 176.519 -0.032 0.000 1.225 214 W CA 0.322 57.651 57.345 -0.027 0.000 1.233 214 W CB -0.546 28.889 29.460 -0.041 0.000 1.122 214 W HN 0.420 nan 8.180 nan 0.000 0.561 215 Q N 1.262 120.508 119.800 -0.923 0.000 2.297 215 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 215 Q C 2.035 177.834 176.000 -0.335 0.000 0.962 215 Q CA 1.310 56.588 55.803 -0.876 0.000 0.879 215 Q CB -0.190 28.042 28.738 -0.844 0.000 0.947 215 Q HN 0.455 nan 8.270 nan 0.000 0.462 216 K N 0.517 120.797 120.400 -0.200 0.000 2.076 216 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 216 K C 2.043 178.508 176.600 -0.225 0.000 1.051 216 K CA 0.812 57.065 56.287 -0.057 0.000 0.949 216 K CB 0.026 32.606 32.500 0.133 0.000 0.726 216 K HN 0.098 nan 8.250 nan 0.000 0.443 217 A N 1.557 124.051 122.820 -0.543 0.000 1.902 217 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 217 A C 2.105 179.525 177.584 -0.274 0.000 1.181 217 A CA 1.568 53.085 52.037 -0.867 0.000 0.623 217 A CB -0.590 18.061 19.000 -0.582 0.000 0.818 217 A HN 0.330 nan 8.150 nan 0.000 0.443 218 R N -1.725 118.712 120.500 -0.106 0.000 2.083 218 R HA -0.243 4.097 4.340 -0.000 0.000 0.237 218 R C 2.051 178.343 176.300 -0.013 0.000 1.137 218 R CA 2.100 58.198 56.100 -0.004 0.000 0.951 218 R CB -0.501 29.759 30.300 -0.067 0.000 0.851 218 R HN 0.721 nan 8.270 nan 0.000 0.434 219 W N 1.184 122.367 121.300 -0.195 0.000 2.335 219 W HA -0.194 4.465 4.660 -0.002 0.000 0.311 219 W C 2.006 178.422 176.519 -0.172 0.000 1.213 219 W CA 2.327 59.581 57.345 -0.152 0.000 1.274 219 W CB -0.482 28.900 29.460 -0.130 0.000 1.148 219 W HN 0.026 nan 8.180 nan 0.000 0.498 220 T N 0.564 115.131 114.554 0.023 0.000 2.674 220 T HA -0.208 4.141 4.350 -0.000 0.000 0.265 220 T C 1.410 175.759 174.700 -0.585 0.000 1.039 220 T CA 1.814 63.755 62.100 -0.265 0.000 1.150 220 T CB -0.678 67.937 68.868 -0.422 0.000 0.864 220 T HN 0.011 nan 8.240 nan 0.000 0.427 221 F N 1.005 120.844 119.950 -0.185 0.000 2.558 221 F HA 0.257 4.784 4.527 -0.000 0.000 0.298 221 F C 2.360 178.070 175.800 -0.150 0.000 1.119 221 F CA -0.039 57.871 58.000 -0.150 0.000 1.451 221 F CB -0.369 38.545 39.000 -0.142 0.000 1.091 221 F HN -0.016 nan 8.300 nan 0.000 0.563 222 R N 0.378 120.816 120.500 -0.102 0.000 2.075 222 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 222 R C 2.046 178.204 176.300 -0.237 0.000 1.126 222 R CA 1.298 57.306 56.100 -0.152 0.000 0.963 222 R CB -0.102 30.085 30.300 -0.188 0.000 0.858 222 R HN 0.125 nan 8.270 nan 0.000 0.435 223 Q N 0.300 119.851 119.800 -0.416 0.000 2.291 223 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 223 Q C 1.645 177.521 176.000 -0.206 0.000 0.976 223 Q CA 1.053 56.614 55.803 -0.404 0.000 0.875 223 Q CB 0.064 28.423 28.738 -0.631 0.000 0.927 223 Q HN 0.439 nan 8.270 nan 0.000 0.450 224 L N 0.061 121.200 121.223 -0.140 0.000 2.667 224 L HA 0.105 4.444 4.340 -0.000 0.000 0.232 224 L C 1.652 178.540 176.870 0.030 0.000 1.138 224 L CA -0.079 54.742 54.840 -0.032 0.000 0.921 224 L CB 0.128 42.195 42.059 0.013 0.000 1.180 224 L HN 0.103 nan 8.230 nan 0.000 0.487 225 E N 1.003 121.207 120.200 0.007 0.000 2.171 225 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 225 E C 1.314 177.944 176.600 0.050 0.000 0.997 225 E CA 1.648 58.065 56.400 0.028 0.000 0.810 225 E CB 0.049 29.749 29.700 -0.001 0.000 0.738 225 E HN 0.594 nan 8.360 nan 0.000 0.467 226 D N 0.587 121.014 120.400 0.045 0.000 2.363 226 D HA -0.125 4.515 4.640 -0.000 0.000 0.220 226 D C 1.802 178.224 176.300 0.203 0.000 0.994 226 D CA 0.395 54.446 54.000 0.085 0.000 0.890 226 D CB -0.499 40.330 40.800 0.047 0.000 0.906 226 D HN 0.462 nan 8.370 nan 0.000 0.530 227 I N -3.098 117.567 120.570 0.158 0.000 3.578 227 I HA 0.152 4.322 4.170 -0.000 0.000 0.295 227 I C -0.135 176.064 176.117 0.136 0.000 1.280 227 I CA 0.241 61.638 61.300 0.162 0.000 1.347 227 I CB -0.276 37.723 38.000 -0.001 0.000 1.051 227 I HN -0.276 nan 8.210 nan 0.000 0.460 228 D N 1.798 122.285 120.400 0.146 0.000 2.718 228 D HA -0.171 4.469 4.640 -0.000 0.000 0.242 228 D C -0.185 176.154 176.300 0.065 0.000 1.123 228 D CA 0.439 54.518 54.000 0.133 0.000 0.690 228 D CB -1.296 39.659 40.800 0.258 0.000 1.059 228 D HN 0.465 nan 8.370 nan 0.000 0.429 229 L N 0.796 122.037 121.223 0.031 0.000 2.525 229 L HA -0.014 4.325 4.340 -0.000 0.000 0.278 229 L C 1.766 178.643 176.870 0.011 0.000 1.218 229 L CA -0.038 54.797 54.840 -0.008 0.000 0.878 229 L CB 0.257 42.313 42.059 -0.005 0.000 1.127 229 L HN 0.268 nan 8.230 nan 0.000 0.492 230 Y N 4.574 124.786 120.300 -0.148 0.000 2.220 230 Y HA -0.066 4.484 4.550 0.001 0.000 0.291 230 Y C 0.462 176.354 175.900 -0.012 0.000 1.129 230 Y CA 0.706 58.744 58.100 -0.103 0.000 1.161 230 Y CB 0.374 38.727 38.460 -0.178 0.000 0.997 230 Y HN 0.485 nan 8.280 nan 0.000 0.522 231 F N -1.274 118.721 119.950 0.074 0.000 2.711 231 F HA 0.630 5.157 4.527 0.001 0.000 0.313 231 F C -1.893 173.831 175.800 -0.126 0.000 1.141 231 F CA -2.652 55.312 58.000 -0.061 0.000 0.941 231 F CB 0.610 39.604 39.000 -0.009 0.000 1.349 231 F HN -0.317 nan 8.300 nan 0.000 0.464 232 I N 1.763 122.506 120.570 0.287 0.000 2.439 232 I HA 0.336 4.505 4.170 -0.000 0.000 0.283 232 I C -0.860 175.277 176.117 0.034 0.000 1.023 232 I CA -0.471 60.838 61.300 0.015 0.000 1.100 232 I CB 1.789 39.497 38.000 -0.487 0.000 1.238 232 I HN 0.779 nan 8.210 nan 0.000 0.445 233 E N 6.202 126.475 120.200 0.122 0.000 2.214 233 E HA 0.625 4.975 4.350 -0.000 0.000 0.274 233 E C 0.219 176.783 176.600 -0.061 0.000 0.977 233 E CA -0.387 55.995 56.400 -0.030 0.000 0.827 233 E CB 1.664 31.389 29.700 0.041 0.000 1.130 233 E HN 0.795 nan 8.360 nan 0.000 0.394 234 A N 2.847 125.583 122.820 -0.140 0.000 2.800 234 A HA -0.223 4.097 4.320 -0.000 0.000 0.292 234 A C 1.033 178.474 177.584 -0.239 0.000 1.474 234 A CA 0.727 52.501 52.037 -0.439 0.000 0.744 234 A CB -2.428 16.079 19.000 -0.821 0.000 1.044 234 A HN 0.782 nan 8.150 nan 0.000 0.489 235 C N -0.945 118.387 119.300 0.054 0.000 2.519 235 C HA 0.555 5.015 4.460 -0.000 0.000 0.281 235 C C 1.277 176.445 174.990 0.296 0.000 1.331 235 C CA 1.421 60.557 59.018 0.197 0.000 1.725 235 C CB -0.752 27.018 27.740 0.050 0.000 2.079 235 C HN 0.657 nan 8.230 nan 0.000 0.496 236 L N 0.729 122.055 121.223 0.171 0.000 2.271 236 L HA 0.439 4.779 4.340 -0.000 0.000 0.265 236 L C -0.482 176.686 176.870 0.496 0.000 1.013 236 L CA -0.872 54.088 54.840 0.199 0.000 0.820 236 L CB 0.603 42.541 42.059 -0.202 0.000 1.352 236 L HN 0.099 nan 8.230 nan 0.000 0.443 237 Q N 0.464 120.523 119.800 0.431 0.000 2.361 237 Q HA -0.056 4.284 4.340 -0.000 0.000 0.276 237 Q C 0.843 177.146 176.000 0.505 0.000 1.022 237 Q CA 0.410 56.474 55.803 0.435 0.000 0.898 237 Q CB 0.350 29.241 28.738 0.255 0.000 1.246 237 Q HN 0.494 nan 8.270 nan 0.000 0.410 238 H N 2.335 121.600 119.070 0.326 0.000 2.422 238 H HA -0.148 4.408 4.556 0.001 0.000 0.298 238 H C 0.204 175.650 175.328 0.198 0.000 1.098 238 H CA 1.616 57.876 56.048 0.354 0.000 1.315 238 H CB 0.704 30.550 29.762 0.140 0.000 1.382 238 H HN 0.557 nan 8.280 nan 0.000 0.523 239 D N 0.234 120.737 120.400 0.171 0.000 2.323 239 D HA -0.087 4.553 4.640 -0.000 0.000 0.209 239 D C 0.397 176.651 176.300 -0.077 0.000 0.973 239 D CA 0.353 54.365 54.000 0.021 0.000 0.874 239 D CB -0.231 40.598 40.800 0.048 0.000 0.930 239 D HN 0.301 nan 8.370 nan 0.000 0.521 240 D N 1.155 121.570 120.400 0.025 0.000 2.551 240 D HA -0.010 4.629 4.640 -0.000 0.000 0.223 240 D C 1.203 177.503 176.300 0.001 0.000 1.144 240 D CA -0.249 53.776 54.000 0.041 0.000 1.025 240 D CB 0.145 41.030 40.800 0.141 0.000 1.085 240 D HN -0.182 nan 8.370 nan 0.000 0.506 241 L N 2.980 124.057 121.223 -0.243 0.000 2.093 241 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 241 L C 2.095 178.858 176.870 -0.178 0.000 1.085 241 L CA 1.211 55.818 54.840 -0.389 0.000 0.755 241 L CB -0.441 41.325 42.059 -0.487 0.000 0.904 241 L HN 0.524 nan 8.230 nan 0.000 0.435 242 I N -1.231 119.260 120.570 -0.132 0.000 2.353 242 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 242 I C 2.406 178.406 176.117 -0.195 0.000 1.119 242 I CA 1.131 62.345 61.300 -0.144 0.000 1.417 242 I CB -0.699 37.232 38.000 -0.116 0.000 1.078 242 I HN 0.316 nan 8.210 nan 0.000 0.421 243 G N -0.204 108.527 108.800 -0.116 0.000 2.422 243 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 243 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 243 G C 1.324 176.115 174.900 -0.181 0.000 1.146 243 G CA 0.791 45.796 45.100 -0.157 0.000 0.769 243 G HN 0.373 nan 8.290 nan 0.000 0.547 244 H N 0.156 119.164 119.070 -0.104 0.000 2.321 244 H HA -0.083 4.472 4.556 -0.002 0.000 0.300 244 H C 2.667 177.920 175.328 -0.125 0.000 1.087 244 H CA 1.890 57.908 56.048 -0.051 0.000 1.319 244 H CB -0.119 29.650 29.762 0.011 0.000 1.379 244 H HN 0.520 nan 8.280 nan 0.000 0.501 245 Q N 1.593 121.357 119.800 -0.060 0.000 2.084 245 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 245 Q C 1.697 177.554 176.000 -0.238 0.000 0.978 245 Q CA 1.843 57.573 55.803 -0.122 0.000 0.844 245 Q CB -0.080 28.580 28.738 -0.130 0.000 0.898 245 Q HN 0.313 nan 8.270 nan 0.000 0.426 246 K N -0.332 119.791 120.400 -0.462 0.000 2.097 246 K HA -0.058 4.261 4.320 -0.000 0.000 0.205 246 K C 1.992 178.222 176.600 -0.617 0.000 1.050 246 K CA 1.172 56.978 56.287 -0.801 0.000 0.938 246 K CB -0.233 31.250 32.500 -1.694 0.000 0.718 246 K HN 0.229 nan 8.250 nan 0.000 0.442 247 L N 0.891 121.911 121.223 -0.339 0.000 2.056 247 L HA -0.055 4.284 4.340 -0.000 0.000 0.207 247 L C 2.147 179.019 176.870 0.003 0.000 1.078 247 L CA 1.660 56.530 54.840 0.050 0.000 0.749 247 L CB -0.595 41.525 42.059 0.102 0.000 0.901 247 L HN 0.105 nan 8.230 nan 0.000 0.433 248 A N -0.448 122.348 122.820 -0.040 0.000 1.933 248 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 248 A C 2.403 179.969 177.584 -0.029 0.000 1.175 248 A CA 1.703 53.725 52.037 -0.024 0.000 0.628 248 A CB -1.079 17.917 19.000 -0.007 0.000 0.814 248 A HN 0.567 nan 8.150 nan 0.000 0.444 249 A N -0.635 122.152 122.820 -0.055 0.000 2.014 249 A HA 0.318 4.638 4.320 -0.000 0.000 0.218 249 A C 2.339 179.923 177.584 0.000 0.000 1.163 249 A CA 1.648 53.661 52.037 -0.041 0.000 0.652 249 A CB -0.608 18.349 19.000 -0.073 0.000 0.808 249 A HN 0.929 nan 8.150 nan 0.000 0.449 250 A N 0.119 122.963 122.820 0.039 0.000 1.975 250 A HA 0.327 4.647 4.320 -0.000 0.000 0.215 250 A C 1.310 178.939 177.584 0.076 0.000 1.170 250 A CA 0.637 52.740 52.037 0.110 0.000 0.656 250 A CB -0.589 18.581 19.000 0.284 0.000 0.821 250 A HN 0.763 nan 8.150 nan 0.000 0.449 251 I N -2.670 117.932 120.570 0.054 0.000 3.156 251 I HA 0.301 4.470 4.170 -0.000 0.000 0.306 251 I C 0.602 176.723 176.117 0.006 0.000 1.048 251 I CA -0.281 61.037 61.300 0.031 0.000 1.207 251 I CB 0.517 38.521 38.000 0.007 0.000 1.456 251 I HN 0.207 nan 8.210 nan 0.000 0.616 252 N N 0.138 118.836 118.700 -0.002 0.000 2.204 252 N HA 0.128 4.868 4.740 -0.000 0.000 0.219 252 N C -0.170 175.322 175.510 -0.030 0.000 1.151 252 N CA -0.164 52.878 53.050 -0.013 0.000 0.867 252 N CB 0.064 38.547 38.487 -0.006 0.000 1.043 252 N HN 0.876 nan 8.380 nan 0.000 0.516 253 T N -1.967 112.561 114.554 -0.043 0.000 2.633 253 T HA 0.496 4.846 4.350 -0.000 0.000 0.262 253 T C -0.154 174.500 174.700 -0.077 0.000 0.920 253 T CA -0.908 61.150 62.100 -0.070 0.000 1.062 253 T CB 1.155 69.979 68.868 -0.074 0.000 1.390 253 T HN -0.096 nan 8.240 nan 0.000 0.549 254 R N 0.198 120.644 120.500 -0.091 0.000 2.340 254 R HA 0.574 4.914 4.340 -0.000 0.000 0.300 254 R C -1.090 175.177 176.300 -0.055 0.000 1.069 254 R CA -0.629 55.428 56.100 -0.071 0.000 0.984 254 R CB 0.385 30.645 30.300 -0.066 0.000 1.003 254 R HN 0.329 nan 8.270 nan 0.000 0.459 255 L N 3.295 124.474 121.223 -0.073 0.000 2.317 255 L HA 0.398 4.737 4.340 -0.000 0.000 0.281 255 L C -0.851 175.942 176.870 -0.128 0.000 1.024 255 L CA -0.311 54.480 54.840 -0.081 0.000 0.810 255 L CB 1.437 43.478 42.059 -0.029 0.000 1.240 255 L HN 0.712 nan 8.230 nan 0.000 0.427 256 C N 2.680 121.856 119.300 -0.207 0.000 2.358 256 C HA 1.011 5.471 4.460 -0.000 0.000 0.354 256 C C 0.686 175.523 174.990 -0.255 0.000 1.183 256 C CA -0.167 58.652 59.018 -0.331 0.000 2.150 256 C CB 0.632 28.023 27.740 -0.583 0.000 2.361 256 C HN 1.017 nan 8.230 nan 0.000 0.535 257 G N -1.035 107.482 108.800 -0.472 0.000 2.600 257 G HA2 0.660 4.620 3.960 -0.000 0.000 0.293 257 G HA3 0.660 4.620 3.960 -0.000 0.000 0.293 257 G C -0.121 174.032 174.900 -1.246 0.000 1.408 257 G CA 0.113 44.616 45.100 -0.993 0.000 0.782 257 G HN 1.992 nan 8.290 nan 0.000 0.482 258 A N -1.131 120.485 122.820 -2.007 0.000 3.080 258 A HA -0.193 4.126 4.320 -0.000 0.000 0.254 258 A C 1.472 178.873 177.584 -0.304 0.000 1.277 258 A CA 2.049 53.357 52.037 -1.215 0.000 1.065 258 A CB -2.103 16.252 19.000 -1.076 0.000 1.160 258 A HN 1.216 nan 8.150 nan 0.000 0.886 259 E N -0.593 119.531 120.200 -0.127 0.000 2.097 259 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 259 E C 1.687 178.227 176.600 -0.101 0.000 1.000 259 E CA 1.808 58.169 56.400 -0.064 0.000 0.804 259 E CB -0.152 29.546 29.700 -0.003 0.000 0.740 259 E HN 0.859 nan 8.360 nan 0.000 0.454 260 M N 0.648 120.198 119.600 -0.084 0.000 2.371 260 M HA 0.075 4.555 4.480 -0.000 0.000 0.246 260 M C 0.732 176.930 176.300 -0.171 0.000 1.103 260 M CA -0.197 54.895 55.300 -0.346 0.000 1.010 260 M CB 0.729 32.895 32.600 -0.724 0.000 1.457 260 M HN -0.024 nan 8.290 nan 0.000 0.486 261 S N 1.137 116.870 115.700 0.055 0.000 2.593 261 S HA 0.373 4.842 4.470 -0.000 0.000 0.269 261 S C 0.286 174.958 174.600 0.121 0.000 1.334 261 S CA -0.396 57.914 58.200 0.184 0.000 1.015 261 S CB 0.842 64.186 63.200 0.240 0.000 0.912 261 S HN 0.359 nan 8.310 nan 0.000 0.541 262 T N -1.789 112.867 114.554 0.168 0.000 2.907 262 T HA 0.714 5.064 4.350 -0.000 0.000 0.292 262 T C -0.103 174.711 174.700 0.191 0.000 1.043 262 T CA 0.077 62.284 62.100 0.178 0.000 1.003 262 T CB 0.782 69.782 68.868 0.219 0.000 1.084 262 T HN 2.396 nan 8.240 nan 0.000 0.483 263 T N -0.024 114.632 114.554 0.171 0.000 0.541 263 T HA -0.196 4.154 4.350 -0.000 0.000 0.774 263 T C 0.879 175.550 174.700 -0.048 0.000 0.992 263 T CA 0.608 62.778 62.100 0.117 0.000 4.077 263 T CB -0.959 68.106 68.868 0.327 0.000 2.303 263 T HN 1.406 nan 8.240 nan 0.000 0.398 264 R N 0.981 121.305 120.500 -0.293 0.000 2.193 264 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 264 R C 1.782 177.912 176.300 -0.284 0.000 1.110 264 R CA 1.971 57.868 56.100 -0.338 0.000 0.988 264 R CB -0.584 29.442 30.300 -0.457 0.000 0.871 264 R HN 0.639 nan 8.270 nan 0.000 0.458 265 F N 1.911 121.899 119.950 0.063 0.000 2.206 265 F HA 0.030 4.555 4.527 -0.003 0.000 0.298 265 F C 2.276 178.127 175.800 0.086 0.000 1.090 265 F CA 1.016 59.056 58.000 0.066 0.000 1.323 265 F CB -0.369 38.674 39.000 0.072 0.000 1.028 265 F HN 0.020 nan 8.300 nan 0.000 0.492 266 E N 0.380 120.746 120.200 0.276 0.000 2.072 266 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 266 E C 2.465 179.245 176.600 0.300 0.000 0.982 266 E CA 0.856 57.423 56.400 0.279 0.000 0.803 266 E CB -0.332 29.548 29.700 0.301 0.000 0.755 266 E HN 0.343 nan 8.360 nan 0.000 0.453 267 A N 1.524 124.434 122.820 0.150 0.000 1.865 267 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 267 A C 2.149 179.777 177.584 0.073 0.000 1.191 267 A CA 1.878 53.951 52.037 0.060 0.000 0.623 267 A CB -0.675 18.298 19.000 -0.045 0.000 0.826 267 A HN 0.217 nan 8.150 nan 0.000 0.444 268 Q N -0.652 119.173 119.800 0.043 0.000 2.096 268 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 268 Q C 2.118 178.139 176.000 0.035 0.000 0.982 268 Q CA 1.997 57.812 55.803 0.020 0.000 0.850 268 Q CB -0.181 28.587 28.738 0.050 0.000 0.901 268 Q HN 0.808 nan 8.270 nan 0.000 0.422 269 E N -0.757 119.497 120.200 0.090 0.000 2.077 269 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 269 E C 1.507 178.108 176.600 0.002 0.000 0.989 269 E CA 1.142 57.565 56.400 0.038 0.000 0.800 269 E CB -0.212 29.503 29.700 0.025 0.000 0.746 269 E HN 0.477 nan 8.360 nan 0.000 0.452 270 W N 0.431 121.667 121.300 -0.107 0.000 2.333 270 W HA -0.223 4.438 4.660 0.002 0.000 0.316 270 W C 2.249 178.664 176.519 -0.173 0.000 1.215 270 W CA 0.454 57.707 57.345 -0.154 0.000 1.278 270 W CB -0.499 28.858 29.460 -0.172 0.000 1.154 270 W HN 0.201 nan 8.180 nan 0.000 0.486 271 L N 0.318 121.566 121.223 0.042 0.000 2.012 271 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 271 L C 2.145 178.882 176.870 -0.223 0.000 1.073 271 L CA 2.005 56.723 54.840 -0.203 0.000 0.748 271 L CB -1.639 40.111 42.059 -0.514 0.000 0.891 271 L HN 0.025 nan 8.230 nan 0.000 0.431 272 E N -0.710 119.396 120.200 -0.156 0.000 2.047 272 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 272 E C 2.268 178.862 176.600 -0.010 0.000 0.987 272 E CA 1.345 57.737 56.400 -0.014 0.000 0.799 272 E CB 0.034 29.749 29.700 0.026 0.000 0.752 272 E HN 0.261 nan 8.360 nan 0.000 0.449 273 K N -1.240 119.129 120.400 -0.051 0.000 2.262 273 K HA 0.001 4.321 4.320 -0.000 0.000 0.200 273 K C 1.622 178.172 176.600 -0.084 0.000 1.049 273 K CA 1.389 57.628 56.287 -0.080 0.000 0.979 273 K CB 0.352 32.770 32.500 -0.137 0.000 0.773 273 K HN 0.236 nan 8.250 nan 0.000 0.474 274 T N -4.615 109.905 114.554 -0.057 0.000 2.955 274 T HA 0.167 4.517 4.350 -0.000 0.000 0.251 274 T C 1.199 175.903 174.700 0.006 0.000 1.002 274 T CA 0.446 62.532 62.100 -0.023 0.000 0.970 274 T CB 0.544 69.434 68.868 0.038 0.000 1.091 274 T HN 0.171 nan 8.240 nan 0.000 0.495 275 G N 3.317 112.122 108.800 0.008 0.000 2.283 275 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.280 275 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.280 275 G C 0.194 175.103 174.900 0.015 0.000 1.029 275 G CA 0.307 45.415 45.100 0.014 0.000 0.840 275 G HN 1.160 nan 8.290 nan 0.000 0.505 276 I N -2.506 118.086 120.570 0.037 0.000 2.872 276 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 276 I C 1.222 177.319 176.117 -0.033 0.000 1.216 276 I CA 0.480 61.788 61.300 0.013 0.000 1.424 276 I CB 0.598 38.610 38.000 0.019 0.000 1.351 276 I HN -0.055 nan 8.210 nan 0.000 0.592 277 S N 3.123 118.787 115.700 -0.059 0.000 2.535 277 S HA 0.265 4.735 4.470 -0.000 0.000 0.214 277 S C 0.222 174.779 174.600 -0.073 0.000 0.980 277 S CA -0.170 57.996 58.200 -0.057 0.000 0.907 277 S CB 0.233 63.397 63.200 -0.059 0.000 0.790 277 S HN 0.505 nan 8.310 nan 0.000 0.510 278 V N 1.928 121.763 119.914 -0.132 0.000 2.612 278 V HA 0.410 4.530 4.120 -0.000 0.000 0.301 278 V C -0.739 175.221 176.094 -0.224 0.000 1.059 278 V CA -0.714 61.487 62.300 -0.164 0.000 0.886 278 V CB 1.969 33.631 31.823 -0.268 0.000 1.007 278 V HN -0.046 nan 8.190 nan 0.000 0.426 279 V N 5.024 124.832 119.914 -0.177 0.000 2.427 279 V HA 0.383 4.503 4.120 -0.000 0.000 0.286 279 V C 0.375 176.344 176.094 -0.208 0.000 1.034 279 V CA -0.206 61.957 62.300 -0.229 0.000 0.893 279 V CB 1.634 33.351 31.823 -0.177 0.000 0.982 279 V HN 0.991 nan 8.190 nan 0.000 0.452 280 Q N 1.669 121.315 119.800 -0.257 0.000 2.157 280 Q HA 0.229 4.569 4.340 -0.000 0.000 0.229 280 Q C 0.252 176.148 176.000 -0.173 0.000 0.827 280 Q CA -0.252 55.444 55.803 -0.178 0.000 1.055 280 Q CB 0.975 29.625 28.738 -0.147 0.000 1.157 280 Q HN 0.761 nan 8.270 nan 0.000 0.482 281 S N 2.243 117.816 115.700 -0.210 0.000 2.626 281 S HA -0.080 4.389 4.470 -0.000 0.000 0.303 281 S C -0.023 174.439 174.600 -0.230 0.000 1.256 281 S CA 0.375 58.463 58.200 -0.187 0.000 1.069 281 S CB 0.299 63.392 63.200 -0.178 0.000 0.807 281 S HN 0.248 nan 8.310 nan 0.000 0.500 282 D N 1.051 121.359 120.400 -0.154 0.000 2.264 282 D HA 0.135 4.775 4.640 -0.000 0.000 0.250 282 D C 0.741 176.946 176.300 -0.159 0.000 1.113 282 D CA -0.466 53.461 54.000 -0.122 0.000 0.871 282 D CB 0.435 41.241 40.800 0.010 0.000 1.167 282 D HN 0.515 nan 8.370 nan 0.000 0.447 283 Y N 2.775 123.016 120.300 -0.099 0.000 2.132 283 Y HA -0.311 4.239 4.550 0.001 0.000 0.280 283 Y C 1.759 177.617 175.900 -0.070 0.000 1.193 283 Y CA 2.071 60.094 58.100 -0.128 0.000 1.157 283 Y CB -0.460 37.918 38.460 -0.136 0.000 0.966 283 Y HN 0.533 nan 8.280 nan 0.000 0.511 284 N N -1.272 117.487 118.700 0.098 0.000 2.238 284 N HA 0.203 4.943 4.740 -0.000 0.000 0.222 284 N C 0.722 176.209 175.510 -0.038 0.000 1.133 284 N CA -0.113 52.959 53.050 0.036 0.000 0.854 284 N CB 0.338 38.826 38.487 0.001 0.000 1.041 284 N HN 0.200 nan 8.380 nan 0.000 0.510 285 R N -0.694 119.792 120.500 -0.023 0.000 2.493 285 R HA 0.168 4.508 4.340 -0.000 0.000 0.177 285 R C 1.421 177.846 176.300 0.209 0.000 0.861 285 R CA 0.779 56.872 56.100 -0.011 0.000 1.083 285 R CB -0.440 29.735 30.300 -0.209 0.000 1.328 285 R HN 0.384 nan 8.270 nan 0.000 0.615 286 C N -0.536 118.825 119.300 0.103 0.000 2.500 286 C HA 0.433 4.893 4.460 -0.000 0.000 0.273 286 C C 1.552 176.648 174.990 0.177 0.000 1.428 286 C CA 0.545 59.630 59.018 0.111 0.000 1.766 286 C CB -0.175 27.563 27.740 -0.003 0.000 1.817 286 C HN 0.707 nan 8.230 nan 0.000 0.543 287 G N -0.942 107.989 108.800 0.218 0.000 2.977 287 G HA2 0.458 4.418 3.960 -0.000 0.000 0.211 287 G HA3 0.458 4.418 3.960 -0.000 0.000 0.211 287 G C 0.644 175.761 174.900 0.362 0.000 0.994 287 G CA 0.541 45.867 45.100 0.376 0.000 0.795 287 G HN 2.149 nan 8.290 nan 0.000 0.518 288 G N -1.405 107.498 108.800 0.172 0.000 2.422 288 G HA2 0.215 4.175 3.960 -0.000 0.000 0.607 288 G HA3 0.215 4.175 3.960 -0.000 0.000 0.607 288 G C 0.782 175.682 174.900 -0.000 0.000 1.270 288 G CA 0.153 45.334 45.100 0.134 0.000 0.992 288 G HN 1.126 nan 8.290 nan 0.000 0.499 289 V N 0.485 120.378 119.914 -0.034 0.000 2.282 289 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 289 V C 3.178 179.186 176.094 -0.142 0.000 1.057 289 V CA 3.380 65.550 62.300 -0.216 0.000 1.032 289 V CB -1.158 30.307 31.823 -0.597 0.000 0.645 289 V HN 0.967 nan 8.190 nan 0.000 0.447 290 T N -0.696 113.869 114.554 0.020 0.000 2.746 290 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 290 T C 1.921 176.495 174.700 -0.210 0.000 1.039 290 T CA 1.875 63.980 62.100 0.008 0.000 1.142 290 T CB -0.169 68.773 68.868 0.124 0.000 0.866 290 T HN 0.558 nan 8.240 nan 0.000 0.444 291 E N 0.804 120.818 120.200 -0.310 0.000 2.112 291 E HA 0.082 4.432 4.350 -0.000 0.000 0.190 291 E C 2.043 178.522 176.600 -0.202 0.000 0.979 291 E CA 0.565 56.758 56.400 -0.345 0.000 0.814 291 E CB -0.480 29.056 29.700 -0.273 0.000 0.762 291 E HN 0.395 nan 8.360 nan 0.000 0.460 292 L N 0.243 121.351 121.223 -0.192 0.000 2.129 292 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 292 L C 2.298 179.146 176.870 -0.035 0.000 1.087 292 L CA 0.937 55.641 54.840 -0.227 0.000 0.757 292 L CB -0.331 41.396 42.059 -0.553 0.000 0.896 292 L HN 0.269 nan 8.230 nan 0.000 0.434 293 L N -1.067 120.167 121.223 0.019 0.000 2.156 293 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 293 L C 2.715 179.604 176.870 0.032 0.000 1.095 293 L CA 0.989 55.893 54.840 0.108 0.000 0.770 293 L CB -0.350 41.759 42.059 0.085 0.000 0.914 293 L HN 0.182 nan 8.230 nan 0.000 0.439 294 R N 0.084 120.556 120.500 -0.046 0.000 2.075 294 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 294 R C 2.251 178.516 176.300 -0.058 0.000 1.126 294 R CA 1.249 57.307 56.100 -0.071 0.000 0.963 294 R CB -0.275 29.933 30.300 -0.152 0.000 0.858 294 R HN 0.273 nan 8.270 nan 0.000 0.435 295 I N 0.533 121.060 120.570 -0.072 0.000 2.394 295 I HA -0.271 3.898 4.170 -0.000 0.000 0.251 295 I C 2.583 178.698 176.117 -0.004 0.000 1.136 295 I CA 1.035 62.300 61.300 -0.059 0.000 1.425 295 I CB -0.158 37.786 38.000 -0.093 0.000 1.079 295 I HN 0.252 nan 8.210 nan 0.000 0.425 296 M N 0.741 120.364 119.600 0.039 0.000 2.108 296 M HA -0.264 4.216 4.480 -0.000 0.000 0.261 296 M C 1.598 177.917 176.300 0.032 0.000 1.066 296 M CA 2.016 57.351 55.300 0.058 0.000 1.107 296 M CB -0.196 32.471 32.600 0.112 0.000 1.356 296 M HN 0.159 nan 8.290 nan 0.000 0.406 297 D N 0.425 120.848 120.400 0.038 0.000 2.144 297 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 297 D C 1.894 178.241 176.300 0.078 0.000 0.978 297 D CA 1.381 55.411 54.000 0.051 0.000 0.833 297 D CB -0.335 40.489 40.800 0.039 0.000 0.961 297 D HN 0.474 nan 8.370 nan 0.000 0.470 298 I N 0.246 120.859 120.570 0.072 0.000 2.286 298 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 298 I C 2.396 178.639 176.117 0.210 0.000 1.104 298 I CA 0.463 61.846 61.300 0.139 0.000 1.397 298 I CB -0.139 37.910 38.000 0.082 0.000 1.072 298 I HN 0.041 nan 8.210 nan 0.000 0.417 299 C N 0.572 119.935 119.300 0.106 0.000 2.413 299 C HA -0.191 4.269 4.460 -0.000 0.000 0.276 299 C C 2.810 177.857 174.990 0.094 0.000 1.248 299 C CA 1.221 60.289 59.018 0.085 0.000 1.742 299 C CB -0.944 26.808 27.740 0.020 0.000 2.017 299 C HN 0.528 nan 8.230 nan 0.000 0.481 300 E N -0.153 120.086 120.200 0.065 0.000 2.085 300 E HA -0.315 4.034 4.350 -0.000 0.000 0.194 300 E C 1.912 178.549 176.600 0.062 0.000 0.994 300 E CA 1.832 58.257 56.400 0.040 0.000 0.801 300 E CB -0.281 29.443 29.700 0.040 0.000 0.743 300 E HN 0.830 nan 8.360 nan 0.000 0.453 301 H N -0.741 118.342 119.070 0.023 0.000 2.387 301 H HA -0.107 4.446 4.556 -0.005 0.000 0.299 301 H C 1.297 176.554 175.328 -0.118 0.000 1.090 301 H CA 2.248 58.270 56.048 -0.044 0.000 1.332 301 H CB -0.136 29.592 29.762 -0.056 0.000 1.386 301 H HN 0.265 nan 8.280 nan 0.000 0.516 302 H N -0.625 118.387 119.070 -0.097 0.000 2.539 302 H HA 0.093 4.646 4.556 -0.005 0.000 0.267 302 H C 0.651 175.918 175.328 -0.102 0.000 0.982 302 H CA 0.547 56.519 56.048 -0.127 0.000 1.146 302 H CB -0.137 29.615 29.762 -0.017 0.000 1.382 302 H HN 0.404 nan 8.280 nan 0.000 0.577 303 N N -0.098 118.593 118.700 -0.015 0.000 2.710 303 N HA -0.221 4.518 4.740 -0.000 0.000 0.249 303 N C -0.824 174.688 175.510 0.004 0.000 1.059 303 N CA 0.565 53.604 53.050 -0.017 0.000 0.720 303 N CB -0.875 37.587 38.487 -0.043 0.000 0.983 303 N HN 0.505 nan 8.380 nan 0.000 0.544 304 A N -0.100 122.736 122.820 0.026 0.000 2.294 304 A HA 0.652 4.972 4.320 -0.000 0.000 0.330 304 A C 0.162 177.742 177.584 -0.006 0.000 1.133 304 A CA -0.488 51.552 52.037 0.005 0.000 0.836 304 A CB 0.868 19.869 19.000 0.002 0.000 1.190 304 A HN 0.421 nan 8.150 nan 0.000 0.492 305 Q N -0.612 119.185 119.800 -0.006 0.000 2.205 305 Q HA 0.530 4.870 4.340 -0.000 0.000 0.249 305 Q C -1.360 174.643 176.000 0.004 0.000 0.948 305 Q CA -0.727 55.082 55.803 0.010 0.000 0.895 305 Q CB 1.907 30.684 28.738 0.065 0.000 1.249 305 Q HN 0.549 nan 8.270 nan 0.000 0.458 306 L N 2.066 123.305 121.223 0.026 0.000 2.319 306 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 306 L C -1.245 175.683 176.870 0.097 0.000 1.005 306 L CA 0.185 55.049 54.840 0.039 0.000 0.828 306 L CB 1.087 43.194 42.059 0.079 0.000 1.227 306 L HN 0.658 nan 8.230 nan 0.000 0.415 307 M N 7.261 126.896 119.600 0.058 0.000 2.126 307 M HA 0.355 4.834 4.480 -0.000 0.000 0.217 307 M C -2.442 173.868 176.300 0.017 0.000 0.873 307 M CA -1.463 53.910 55.300 0.122 0.000 0.707 307 M CB 1.191 33.948 32.600 0.262 0.000 1.515 307 M HN 0.353 nan 8.290 nan 0.000 0.369 308 P HA -0.060 nan 4.420 nan 0.000 0.263 308 P C -0.446 176.748 177.300 -0.175 0.000 1.195 308 P CA 0.303 63.174 63.100 -0.382 0.000 0.762 308 P CB 0.124 31.119 31.700 -1.175 0.000 0.799 309 H N 3.552 122.528 119.070 -0.158 0.000 3.214 309 H HA -0.047 4.508 4.556 -0.000 0.000 0.291 309 H C 0.101 175.461 175.328 0.053 0.000 0.926 309 H CA 0.997 57.029 56.048 -0.027 0.000 1.409 309 H CB -0.177 29.560 29.762 -0.042 0.000 1.406 309 H HN 0.179 nan 8.280 nan 0.000 0.561 310 N N 6.066 124.564 118.700 -0.336 0.000 2.727 310 N HA 0.081 4.821 4.740 -0.000 0.000 0.252 310 N C -1.914 173.443 175.510 -0.255 0.000 1.283 310 N CA -0.574 52.374 53.050 -0.170 0.000 0.782 310 N CB 0.130 38.613 38.487 -0.007 0.000 1.199 310 N HN 0.692 nan 8.380 nan 0.000 0.520 311 W N 5.915 126.881 121.300 -0.556 0.000 2.237 311 W HA 0.363 5.023 4.660 -0.000 0.000 0.289 311 W C -0.848 175.533 176.519 -0.230 0.000 0.988 311 W CA -0.361 56.752 57.345 -0.386 0.000 1.671 311 W CB 0.556 29.789 29.460 -0.378 0.000 1.746 311 W HN 0.286 nan 8.180 nan 0.000 0.380 312 K N 0.504 120.718 120.400 -0.310 0.000 3.157 312 K HA 0.440 4.760 4.320 -0.000 0.000 0.309 312 K C -0.110 176.332 176.600 -0.264 0.000 1.183 312 K CA 0.161 56.326 56.287 -0.203 0.000 1.198 312 K CB 0.845 33.275 32.500 -0.116 0.000 3.317 312 K HN -0.051 nan 8.250 nan 0.000 1.071 313 T N -0.919 113.509 114.554 -0.210 0.000 2.910 313 T HA 0.364 4.714 4.350 -0.000 0.000 0.287 313 T C 0.823 175.391 174.700 -0.219 0.000 1.050 313 T CA -0.099 61.884 62.100 -0.195 0.000 1.011 313 T CB 1.563 70.355 68.868 -0.128 0.000 1.195 313 T HN 0.499 nan 8.240 nan 0.000 0.540 314 G N 0.252 108.934 108.800 -0.198 0.000 2.535 314 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.218 314 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.218 314 G C 1.318 176.139 174.900 -0.132 0.000 1.122 314 G CA 0.542 45.536 45.100 -0.177 0.000 0.769 314 G HN 0.689 nan 8.290 nan 0.000 0.549 315 I N 0.565 121.063 120.570 -0.120 0.000 2.163 315 I HA -0.138 4.031 4.170 -0.000 0.000 0.240 315 I C 2.887 178.929 176.117 -0.126 0.000 1.081 315 I CA 1.412 62.659 61.300 -0.088 0.000 1.353 315 I CB -0.569 37.393 38.000 -0.063 0.000 1.054 315 I HN 0.040 nan 8.210 nan 0.000 0.407 316 T N 0.864 115.315 114.554 -0.171 0.000 2.881 316 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 316 T C 1.985 176.469 174.700 -0.360 0.000 1.068 316 T CA 1.242 63.185 62.100 -0.263 0.000 1.131 316 T CB -0.223 68.517 68.868 -0.214 0.000 0.871 316 T HN 0.459 nan 8.240 nan 0.000 0.479 317 A N 1.407 124.048 122.820 -0.298 0.000 1.930 317 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 317 A C 2.646 180.179 177.584 -0.086 0.000 1.175 317 A CA 1.623 53.473 52.037 -0.311 0.000 0.627 317 A CB -1.003 17.764 19.000 -0.389 0.000 0.815 317 A HN 0.493 nan 8.150 nan 0.000 0.443 318 A N -0.029 122.763 122.820 -0.047 0.000 1.908 318 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 318 A C 2.483 180.118 177.584 0.086 0.000 1.181 318 A CA 2.128 54.208 52.037 0.071 0.000 0.627 318 A CB -0.949 18.086 19.000 0.059 0.000 0.818 318 A HN 1.029 nan 8.150 nan 0.000 0.445 319 A N -0.238 122.517 122.820 -0.109 0.000 1.898 319 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 319 A C 2.490 179.931 177.584 -0.239 0.000 1.181 319 A CA 1.926 53.851 52.037 -0.187 0.000 0.620 319 A CB -0.972 17.815 19.000 -0.354 0.000 0.819 319 A HN 1.064 nan 8.150 nan 0.000 0.442 320 A N -0.236 122.299 122.820 -0.475 0.000 1.972 320 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 320 A C 2.240 179.901 177.584 0.128 0.000 1.169 320 A CA 1.444 53.351 52.037 -0.216 0.000 0.635 320 A CB -0.446 18.449 19.000 -0.176 0.000 0.810 320 A HN 0.548 nan 8.150 nan 0.000 0.446 321 R N -1.305 119.272 120.500 0.129 0.000 2.073 321 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 321 R C 2.162 178.464 176.300 0.003 0.000 1.134 321 R CA 1.527 57.674 56.100 0.079 0.000 0.952 321 R CB -0.508 29.831 30.300 0.065 0.000 0.850 321 R HN 0.681 nan 8.270 nan 0.000 0.433 322 H N -0.857 118.273 119.070 0.100 0.000 2.333 322 H HA -0.102 4.454 4.556 -0.001 0.000 0.302 322 H C 1.989 177.395 175.328 0.129 0.000 1.075 322 H CA 1.404 57.540 56.048 0.147 0.000 1.348 322 H CB -0.246 29.603 29.762 0.144 0.000 1.393 322 H HN 0.124 nan 8.280 nan 0.000 0.509 323 F N 1.581 121.605 119.950 0.122 0.000 2.134 323 F HA -0.105 4.421 4.527 -0.001 0.000 0.299 323 F C 2.560 178.407 175.800 0.079 0.000 1.097 323 F CA 1.485 59.541 58.000 0.094 0.000 1.264 323 F CB -0.610 38.498 39.000 0.180 0.000 1.001 323 F HN 0.068 nan 8.300 nan 0.000 0.479 324 G N 0.129 108.996 108.800 0.112 0.000 2.450 324 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.220 324 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.220 324 G C 1.589 176.411 174.900 -0.130 0.000 1.130 324 G CA 1.089 46.185 45.100 -0.007 0.000 0.760 324 G HN 0.448 nan 8.290 nan 0.000 0.557 325 I N 0.175 120.661 120.570 -0.141 0.000 3.059 325 I HA 0.071 4.240 4.170 -0.000 0.000 0.270 325 I C 2.313 178.319 176.117 -0.185 0.000 1.238 325 I CA 0.489 61.672 61.300 -0.195 0.000 1.478 325 I CB 0.433 38.242 38.000 -0.318 0.000 1.097 325 I HN 0.022 nan 8.210 nan 0.000 0.455 326 V N -0.846 118.951 119.914 -0.194 0.000 3.052 326 V HA -0.042 4.077 4.120 -0.000 0.000 0.254 326 V C 1.187 177.152 176.094 -0.215 0.000 1.100 326 V CA 0.501 62.700 62.300 -0.168 0.000 1.112 326 V CB -0.164 31.566 31.823 -0.155 0.000 0.738 326 V HN 0.482 nan 8.190 nan 0.000 0.469 327 C N 3.122 122.184 119.300 -0.396 0.000 2.262 327 C HA 0.192 4.652 4.460 -0.000 0.000 0.413 327 C C 2.121 176.970 174.990 -0.236 0.000 1.019 327 C CA -0.613 58.148 59.018 -0.428 0.000 1.320 327 C CB -1.894 25.455 27.740 -0.652 0.000 1.657 327 C HN 0.710 nan 8.230 nan 0.000 0.510 328 H N 3.104 122.085 119.070 -0.148 0.000 2.546 328 H HA -0.073 4.482 4.556 -0.000 0.000 0.277 328 H C 1.624 176.911 175.328 -0.068 0.000 1.004 328 H CA 1.488 57.476 56.048 -0.099 0.000 1.231 328 H CB -0.335 29.380 29.762 -0.079 0.000 1.382 328 H HN 0.823 nan 8.280 nan 0.000 0.580 329 I N -0.734 119.511 120.570 -0.540 0.000 3.251 329 I HA 0.126 4.296 4.170 -0.000 0.000 0.277 329 I C -0.112 175.928 176.117 -0.130 0.000 1.268 329 I CA -0.099 61.013 61.300 -0.313 0.000 1.449 329 I CB 0.110 37.926 38.000 -0.308 0.000 1.083 329 I HN -0.075 nan 8.210 nan 0.000 0.464 330 S N 1.722 117.359 115.700 -0.105 0.000 2.433 330 S HA 0.173 4.642 4.470 -0.000 0.000 0.310 330 S C 0.795 175.367 174.600 -0.046 0.000 1.097 330 S CA -0.573 57.614 58.200 -0.021 0.000 1.103 330 S CB 1.978 65.198 63.200 0.033 0.000 0.992 330 S HN 0.387 nan 8.310 nan 0.000 0.469 331 E N 2.412 122.567 120.200 -0.075 0.000 2.072 331 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 331 E C -0.663 175.706 176.600 -0.384 0.000 0.985 331 E CA 1.321 57.562 56.400 -0.266 0.000 0.801 331 E CB 0.119 29.605 29.700 -0.357 0.000 0.750 331 E HN 0.692 nan 8.360 nan 0.000 0.452 332 Y N -0.791 119.546 120.300 0.062 0.000 2.630 332 Y HA 0.439 4.988 4.550 -0.001 0.000 0.337 332 Y C -0.050 175.903 175.900 0.088 0.000 1.051 332 Y CA -1.248 56.883 58.100 0.052 0.000 1.121 332 Y CB 1.767 40.289 38.460 0.103 0.000 1.299 332 Y HN -0.127 nan 8.280 nan 0.000 0.498 333 V N -2.159 117.865 119.914 0.182 0.000 3.001 333 V HA 0.557 4.677 4.120 -0.000 0.000 0.314 333 V C -0.545 175.354 176.094 -0.325 0.000 1.099 333 V CA -1.367 60.982 62.300 0.083 0.000 0.989 333 V CB 1.788 33.702 31.823 0.150 0.000 1.040 333 V HN 0.831 nan 8.190 nan 0.000 0.434 334 E N 1.171 121.092 120.200 -0.466 0.000 2.414 334 E HA 0.252 4.601 4.350 -0.000 0.000 0.263 334 E C -1.864 174.534 176.600 -0.337 0.000 1.000 334 E CA -0.107 55.755 56.400 -0.896 0.000 0.914 334 E CB 0.594 30.078 29.700 -0.358 0.000 0.948 334 E HN 0.764 nan 8.360 nan 0.000 0.444 335 Y N 4.176 124.175 120.300 -0.501 0.000 2.396 335 Y HA 0.293 4.843 4.550 -0.001 0.000 0.332 335 Y C -1.477 174.439 175.900 0.027 0.000 1.034 335 Y CA -1.149 56.822 58.100 -0.214 0.000 1.057 335 Y CB 1.315 39.602 38.460 -0.289 0.000 1.220 335 Y HN 0.529 nan 8.280 nan 0.000 0.440 336 L N 6.721 127.814 121.223 -0.217 0.000 2.277 336 L HA 0.429 4.769 4.340 -0.000 0.000 0.284 336 L C -1.307 175.549 176.870 -0.023 0.000 1.028 336 L CA -0.051 54.731 54.840 -0.098 0.000 0.835 336 L CB 0.130 41.877 42.059 -0.520 0.000 1.215 336 L HN 0.707 nan 8.230 nan 0.000 0.425 337 H N 6.414 125.704 119.070 0.368 0.000 2.463 337 H HA 0.424 4.979 4.556 -0.001 0.000 0.332 337 H C -2.035 173.362 175.328 0.116 0.000 1.127 337 H CA -1.851 54.402 56.048 0.341 0.000 1.238 337 H CB 2.365 32.421 29.762 0.490 0.000 1.478 337 H HN 0.482 nan 8.280 nan 0.000 0.499 338 P HA -0.124 nan 4.420 nan 0.000 0.223 338 P C 0.568 177.795 177.300 -0.121 0.000 1.144 338 P CA 0.882 63.868 63.100 -0.190 0.000 0.783 338 P CB 0.432 31.944 31.700 -0.313 0.000 0.771 339 D N -1.156 119.177 120.400 -0.111 0.000 2.264 339 D HA -0.073 4.566 4.640 -0.000 0.000 0.208 339 D C 0.927 176.964 176.300 -0.437 0.000 0.966 339 D CA 0.999 54.755 54.000 -0.407 0.000 0.864 339 D CB -0.377 39.917 40.800 -0.843 0.000 0.933 339 D HN 0.268 nan 8.370 nan 0.000 0.499 340 F N -2.047 118.026 119.950 0.206 0.000 2.706 340 F HA 0.268 4.795 4.527 -0.000 0.000 0.313 340 F C 0.243 176.273 175.800 0.384 0.000 1.096 340 F CA -0.734 57.415 58.000 0.249 0.000 1.219 340 F CB 0.394 39.564 39.000 0.283 0.000 1.051 340 F HN -0.098 nan 8.300 nan 0.000 0.568 341 W N 0.703 122.094 121.300 0.152 0.000 3.259 341 W HA 0.247 4.908 4.660 0.001 0.000 0.331 341 W C -0.775 175.747 176.519 0.005 0.000 1.144 341 W CA -0.542 56.863 57.345 0.101 0.000 1.227 341 W CB 1.537 31.002 29.460 0.008 0.000 1.371 341 W HN -0.257 nan 8.180 nan 0.000 0.491 342 N N 2.343 120.549 118.700 -0.824 0.000 2.276 342 N HA 0.173 4.912 4.740 -0.000 0.000 0.212 342 N C 0.686 175.805 175.510 -0.651 0.000 1.127 342 N CA 0.158 52.849 53.050 -0.598 0.000 0.834 342 N CB 0.406 38.634 38.487 -0.431 0.000 1.014 342 N HN 0.450 nan 8.380 nan 0.000 0.491 343 G N -0.924 107.331 108.800 -0.908 0.000 2.432 343 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.239 343 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.239 343 G C 0.947 175.752 174.900 -0.159 0.000 1.291 343 G CA -0.168 44.731 45.100 -0.335 0.000 0.863 343 G HN 0.158 nan 8.290 nan 0.000 0.560 344 T N 2.329 116.836 114.554 -0.079 0.000 2.684 344 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 344 T C 2.492 177.110 174.700 -0.135 0.000 1.036 344 T CA 1.118 63.179 62.100 -0.066 0.000 1.148 344 T CB -0.200 68.693 68.868 0.043 0.000 0.863 344 T HN 0.322 nan 8.240 nan 0.000 0.436 345 L N 0.597 121.774 121.223 -0.076 0.000 2.056 345 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 345 L C 2.926 179.681 176.870 -0.191 0.000 1.078 345 L CA 1.186 55.938 54.840 -0.146 0.000 0.749 345 L CB -1.135 40.900 42.059 -0.040 0.000 0.901 345 L HN 0.287 nan 8.230 nan 0.000 0.433 346 T N -0.942 113.541 114.554 -0.120 0.000 2.759 346 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 346 T C 1.888 176.478 174.700 -0.184 0.000 1.042 346 T CA 1.157 63.176 62.100 -0.134 0.000 1.140 346 T CB -0.052 68.817 68.868 0.002 0.000 0.864 346 T HN 0.311 nan 8.240 nan 0.000 0.455 347 Q N 0.063 119.744 119.800 -0.198 0.000 2.376 347 Q HA 0.157 4.497 4.340 -0.000 0.000 0.206 347 Q C 1.870 177.718 176.000 -0.254 0.000 0.921 347 Q CA 0.839 56.519 55.803 -0.206 0.000 0.911 347 Q CB 0.239 28.868 28.738 -0.181 0.000 1.032 347 Q HN 0.596 nan 8.270 nan 0.000 0.510 348 Q N -0.859 118.717 119.800 -0.373 0.000 2.342 348 Q HA 0.094 4.433 4.340 -0.000 0.000 0.261 348 Q C 1.681 177.279 176.000 -0.670 0.000 0.841 348 Q CA -0.183 55.298 55.803 -0.537 0.000 0.969 348 Q CB 0.426 28.744 28.738 -0.700 0.000 1.136 348 Q HN 0.062 nan 8.270 nan 0.000 0.528 349 L N 1.270 122.111 121.223 -0.636 0.000 2.083 349 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 349 L C 0.978 177.693 176.870 -0.258 0.000 1.083 349 L CA 1.631 56.193 54.840 -0.463 0.000 0.752 349 L CB -0.238 41.658 42.059 -0.272 0.000 0.899 349 L HN 0.220 nan 8.230 nan 0.000 0.433 350 T N -2.893 111.529 114.554 -0.220 0.000 2.940 350 T HA 0.628 4.977 4.350 -0.000 0.000 0.288 350 T C -0.382 174.236 174.700 -0.137 0.000 1.045 350 T CA -0.853 61.159 62.100 -0.146 0.000 1.018 350 T CB 1.682 70.481 68.868 -0.114 0.000 1.151 350 T HN 0.042 nan 8.240 nan 0.000 0.529 351 L N 0.858 122.026 121.223 -0.092 0.000 2.319 351 L HA 0.567 4.907 4.340 -0.000 0.000 0.267 351 L C 0.909 177.747 176.870 -0.053 0.000 1.011 351 L CA -1.215 53.580 54.840 -0.075 0.000 0.818 351 L CB 1.227 43.253 42.059 -0.055 0.000 1.316 351 L HN 0.924 nan 8.230 nan 0.000 0.432 352 N N 0.865 119.537 118.700 -0.046 0.000 2.747 352 N HA -0.148 4.591 4.740 -0.000 0.000 0.249 352 N C -0.424 175.077 175.510 -0.015 0.000 1.107 352 N CA 0.279 53.314 53.050 -0.025 0.000 0.707 352 N CB -0.136 38.344 38.487 -0.011 0.000 1.054 352 N HN 0.649 nan 8.380 nan 0.000 0.555 353 E N 1.278 121.456 120.200 -0.037 0.000 2.529 353 E HA 0.036 4.386 4.350 -0.000 0.000 0.259 353 E C -1.770 174.854 176.600 0.040 0.000 0.966 353 E CA -0.558 55.831 56.400 -0.020 0.000 0.937 353 E CB 0.207 29.837 29.700 -0.117 0.000 0.923 353 E HN 0.296 nan 8.360 nan 0.000 0.468 354 P HA -0.026 nan 4.420 nan 0.000 0.266 354 P C -0.152 177.261 177.300 0.189 0.000 1.195 354 P CA 0.129 63.288 63.100 0.098 0.000 0.768 354 P CB 0.517 32.264 31.700 0.078 0.000 0.838 355 K N 2.708 123.169 120.400 0.101 0.000 2.118 355 K HA 0.318 4.638 4.320 -0.000 0.000 0.264 355 K C -0.127 176.444 176.600 -0.049 0.000 1.000 355 K CA -0.515 55.811 56.287 0.064 0.000 0.929 355 K CB 0.211 32.715 32.500 0.007 0.000 1.021 355 K HN 0.324 nan 8.250 nan 0.000 0.463 356 I N 5.077 125.510 120.570 -0.228 0.000 2.452 356 I HA 0.163 4.332 4.170 -0.000 0.000 0.287 356 I C -0.235 175.800 176.117 -0.138 0.000 1.079 356 I CA -0.076 61.076 61.300 -0.246 0.000 1.387 356 I CB 0.204 37.925 38.000 -0.465 0.000 1.404 356 I HN 0.454 nan 8.210 nan 0.000 0.522 357 I N 6.226 126.750 120.570 -0.076 0.000 2.439 357 I HA 0.174 4.344 4.170 -0.000 0.000 0.283 357 I C -0.004 176.096 176.117 -0.027 0.000 1.023 357 I CA -0.283 60.988 61.300 -0.049 0.000 1.100 357 I CB 1.335 39.314 38.000 -0.035 0.000 1.238 357 I HN 0.602 nan 8.210 nan 0.000 0.445 358 D N 5.243 125.630 120.400 -0.022 0.000 2.837 358 D HA -0.205 4.435 4.640 -0.000 0.000 0.230 358 D C 1.118 177.432 176.300 0.023 0.000 1.152 358 D CA 1.719 55.718 54.000 -0.002 0.000 0.736 358 D CB -0.739 40.061 40.800 0.000 0.000 1.084 358 D HN 1.117 nan 8.370 nan 0.000 0.429 359 G N -2.336 106.484 108.800 0.032 0.000 2.179 359 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.260 359 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.260 359 G C 0.436 175.417 174.900 0.135 0.000 0.977 359 G CA 0.816 45.987 45.100 0.118 0.000 0.641 359 G HN 1.453 nan 8.290 nan 0.000 0.533 360 A N 0.067 122.919 122.820 0.054 0.000 2.340 360 A HA 0.869 5.189 4.320 -0.000 0.000 0.331 360 A C 0.037 177.610 177.584 -0.019 0.000 1.140 360 A CA -0.243 51.803 52.037 0.016 0.000 0.801 360 A CB 1.041 20.036 19.000 -0.008 0.000 1.234 360 A HN 1.646 nan 8.150 nan 0.000 0.469 361 I N -0.611 119.921 120.570 -0.064 0.000 2.465 361 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 361 I C -0.637 175.431 176.117 -0.082 0.000 1.014 361 I CA -0.578 60.671 61.300 -0.086 0.000 1.093 361 I CB 1.817 39.722 38.000 -0.157 0.000 1.267 361 I HN 0.486 nan 8.210 nan 0.000 0.431 362 E N 5.333 125.501 120.200 -0.052 0.000 2.415 362 E HA 0.148 4.497 4.350 -0.000 0.000 0.263 362 E C -0.684 175.879 176.600 -0.061 0.000 0.995 362 E CA -0.023 56.347 56.400 -0.051 0.000 0.915 362 E CB 1.777 31.463 29.700 -0.025 0.000 0.951 362 E HN 0.508 nan 8.360 nan 0.000 0.449 363 V N 3.676 123.531 119.914 -0.098 0.000 2.318 363 V HA 0.088 4.208 4.120 -0.000 0.000 0.271 363 V C 0.762 176.827 176.094 -0.049 0.000 1.030 363 V CA -0.701 61.519 62.300 -0.134 0.000 0.844 363 V CB 0.697 32.358 31.823 -0.270 0.000 1.015 363 V HN 0.657 nan 8.190 nan 0.000 0.460 364 S N 2.591 118.302 115.700 0.018 0.000 2.596 364 S HA 0.135 4.605 4.470 -0.000 0.000 0.260 364 S C 0.604 175.314 174.600 0.182 0.000 1.336 364 S CA 0.011 58.262 58.200 0.084 0.000 0.993 364 S CB 0.855 64.103 63.200 0.081 0.000 0.923 364 S HN 0.848 nan 8.310 nan 0.000 0.567 365 D N -0.859 119.637 120.400 0.160 0.000 2.388 365 D HA 0.126 4.765 4.640 -0.000 0.000 0.221 365 D C -0.201 176.154 176.300 0.093 0.000 1.133 365 D CA -0.393 53.706 54.000 0.164 0.000 0.831 365 D CB -0.363 40.525 40.800 0.147 0.000 0.962 365 D HN 0.474 nan 8.370 nan 0.000 0.502 366 K N 1.471 121.931 120.400 0.100 0.000 2.436 366 K HA 0.154 4.474 4.320 -0.000 0.000 0.275 366 K C -2.330 174.298 176.600 0.046 0.000 0.999 366 K CA -1.183 55.143 56.287 0.065 0.000 0.980 366 K CB 0.238 32.779 32.500 0.068 0.000 0.919 366 K HN 0.046 nan 8.250 nan 0.000 0.484 367 P HA -0.105 nan 4.420 nan 0.000 0.266 367 P C 0.463 177.739 177.300 -0.041 0.000 1.193 367 P CA 0.723 63.809 63.100 -0.024 0.000 0.770 367 P CB 0.553 32.237 31.700 -0.027 0.000 0.836 368 G N 1.533 110.291 108.800 -0.071 0.000 2.564 368 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.273 368 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.273 368 G C 0.768 175.524 174.900 -0.240 0.000 1.242 368 G CA 0.139 45.178 45.100 -0.102 0.000 0.951 368 G HN 0.495 nan 8.290 nan 0.000 0.564 369 L N 1.946 123.045 121.223 -0.207 0.000 2.465 369 L HA 0.288 4.628 4.340 -0.000 0.000 0.224 369 L C 2.341 179.213 176.870 0.004 0.000 1.145 369 L CA 1.056 55.728 54.840 -0.280 0.000 0.834 369 L CB -0.695 41.298 42.059 -0.110 0.000 0.944 369 L HN 2.037 nan 8.230 nan 0.000 0.451 370 G N 1.340 110.159 108.800 0.032 0.000 2.246 370 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.273 370 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.273 370 G C 0.078 175.023 174.900 0.076 0.000 1.055 370 G CA -0.126 45.031 45.100 0.095 0.000 0.851 370 G HN 0.313 nan 8.290 nan 0.000 0.500 371 I N 0.048 120.645 120.570 0.045 0.000 2.395 371 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 371 I C 0.691 176.825 176.117 0.029 0.000 1.023 371 I CA -0.264 61.056 61.300 0.034 0.000 1.350 371 I CB 1.480 39.499 38.000 0.032 0.000 1.409 371 I HN 0.248 nan 8.210 nan 0.000 0.507 372 E N 6.845 127.052 120.200 0.013 0.000 2.070 372 E HA 0.266 4.616 4.350 -0.000 0.000 0.261 372 E C -1.011 175.577 176.600 -0.021 0.000 0.926 372 E CA -0.840 55.562 56.400 0.004 0.000 0.760 372 E CB 0.918 30.617 29.700 -0.001 0.000 1.133 372 E HN 0.405 nan 8.360 nan 0.000 0.420 373 L N 4.280 125.493 121.223 -0.017 0.000 2.426 373 L HA 0.193 4.533 4.340 -0.000 0.000 0.271 373 L C 0.104 176.917 176.870 -0.095 0.000 1.169 373 L CA -0.012 54.786 54.840 -0.070 0.000 0.836 373 L CB 0.831 42.828 42.059 -0.104 0.000 1.112 373 L HN 0.440 nan 8.230 nan 0.000 0.465 374 N N 5.008 123.644 118.700 -0.107 0.000 2.739 374 N HA 0.035 4.775 4.740 -0.000 0.000 0.266 374 N C 1.045 176.511 175.510 -0.073 0.000 1.168 374 N CA -0.137 52.869 53.050 -0.074 0.000 1.055 374 N CB 0.048 38.487 38.487 -0.079 0.000 1.393 374 N HN 0.579 nan 8.380 nan 0.000 0.514 375 I N 1.586 122.072 120.570 -0.140 0.000 2.151 375 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 375 I C 1.681 177.740 176.117 -0.097 0.000 1.080 375 I CA 1.380 62.538 61.300 -0.236 0.000 1.339 375 I CB -0.653 37.246 38.000 -0.169 0.000 1.039 375 I HN 0.555 nan 8.210 nan 0.000 0.409 376 E N 0.278 120.469 120.200 -0.016 0.000 2.110 376 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 376 E C 2.203 178.822 176.600 0.032 0.000 0.988 376 E CA 1.186 57.594 56.400 0.014 0.000 0.804 376 E CB -0.378 29.337 29.700 0.025 0.000 0.745 376 E HN 0.433 nan 8.360 nan 0.000 0.458 377 F N 1.571 121.477 119.950 -0.073 0.000 2.102 377 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 377 F C 2.204 177.966 175.800 -0.063 0.000 1.105 377 F CA 1.204 59.166 58.000 -0.063 0.000 1.239 377 F CB -0.136 38.822 39.000 -0.070 0.000 0.991 377 F HN -0.218 nan 8.300 nan 0.000 0.474 378 V N 0.479 120.439 119.914 0.076 0.000 2.343 378 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 378 V C 2.166 178.229 176.094 -0.051 0.000 1.051 378 V CA 2.301 64.594 62.300 -0.011 0.000 1.036 378 V CB -0.718 31.067 31.823 -0.063 0.000 0.654 378 V HN 0.368 nan 8.190 nan 0.000 0.451 379 E N -0.489 119.690 120.200 -0.035 0.000 2.106 379 E HA -0.253 4.096 4.350 -0.000 0.000 0.192 379 E C 2.322 178.888 176.600 -0.057 0.000 0.984 379 E CA 1.044 57.442 56.400 -0.003 0.000 0.806 379 E CB -0.146 29.569 29.700 0.024 0.000 0.750 379 E HN 0.628 nan 8.360 nan 0.000 0.458 380 Q N 0.304 120.031 119.800 -0.122 0.000 2.096 380 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 380 Q C 2.569 178.454 176.000 -0.192 0.000 0.982 380 Q CA 2.047 57.749 55.803 -0.169 0.000 0.850 380 Q CB -0.059 28.529 28.738 -0.249 0.000 0.901 380 Q HN 0.341 nan 8.270 nan 0.000 0.422 381 V N -1.932 117.828 119.914 -0.257 0.000 2.407 381 V HA -0.141 3.978 4.120 -0.000 0.000 0.245 381 V C 2.259 178.304 176.094 -0.083 0.000 1.041 381 V CA 1.962 64.147 62.300 -0.192 0.000 1.040 381 V CB -1.314 30.377 31.823 -0.220 0.000 0.671 381 V HN 0.442 nan 8.190 nan 0.000 0.455 382 T N -2.473 112.053 114.554 -0.046 0.000 2.942 382 T HA 0.285 4.635 4.350 -0.000 0.000 0.265 382 T C 1.908 176.606 174.700 -0.004 0.000 1.062 382 T CA 1.483 63.582 62.100 -0.001 0.000 1.139 382 T CB -0.150 68.743 68.868 0.041 0.000 0.883 382 T HN 1.744 nan 8.240 nan 0.000 0.468 383 G N 0.287 109.079 108.800 -0.014 0.000 2.176 383 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.253 383 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.253 383 G C 0.059 174.961 174.900 0.004 0.000 0.979 383 G CA 0.692 45.785 45.100 -0.011 0.000 0.641 383 G HN 1.372 nan 8.290 nan 0.000 0.530 384 H N -0.619 118.462 119.070 0.018 0.000 2.747 384 H HA 0.864 5.420 4.556 -0.000 0.000 0.371 384 H C 0.176 175.533 175.328 0.048 0.000 1.161 384 H CA 0.043 56.105 56.048 0.024 0.000 1.167 384 H CB 1.099 30.872 29.762 0.017 0.000 1.732 384 H HN 0.510 nan 8.280 nan 0.000 0.544 385 K N 1.210 121.635 120.400 0.042 0.000 2.485 385 K HA 0.232 4.552 4.320 -0.000 0.000 0.277 385 K C -0.597 176.057 176.600 0.090 0.000 0.990 385 K CA 0.153 56.480 56.287 0.066 0.000 0.994 385 K CB 0.135 32.658 32.500 0.039 0.000 0.906 385 K HN 0.491 nan 8.250 nan 0.000 0.488 386 F N 0.000 119.933 119.950 -0.029 0.000 2.286 386 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 386 F CA 0.000 57.965 58.000 -0.057 0.000 1.383 386 F CB 0.000 38.964 39.000 -0.060 0.000 1.145 386 F HN 0.000 nan 8.300 nan 0.000 0.574