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 3qc2_1_A DATA FIRST_RESID 27 DATA SEQUENCE NHKENKLPDW AFGGFERPKN VNPVISPIEN TKFYCPLTKD SIAWESNDTF DATA SEQUENCE NPAATLYNGE IVVLYRAEDK SGVGIGHRTS RLGYATSTDG THFQREKTPV DATA SEQUENCE FYPDNDSQKE LEWPGGCEDP RIAVTDDGLY VXXYTQWNRH VPRLAVATSR DATA SEQUENCE NLKDWTKHGP AFAKAFDGKF FNLGCKSGSI LTEVVKGKQV IKKVNGKYFX DATA SEQUENCE YWGEEHVFAA TSDDLIHWTP IVNIDGSLKK LFSPRDGYFD SHLTECGPPA DATA SEQUENCE IYTPKGIVLL YNGKNHSGRG DKRYTANVYA AGQALFDAND PTRFITRLDE DATA SEQUENCE PFFRPXDSFE KSGQYVDGTV FIEGXVYFKN KWYLYYGCAD SKVGVAVYDP DATA SEQUENCE KRPAKADPLP 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 27 N HA 0.000 nan 4.740 nan 0.000 0.220 27 N C 0.000 175.305 175.510 -0.342 0.000 1.280 27 N CA 0.000 52.922 53.050 -0.214 0.000 0.885 27 N CB 0.000 38.375 38.487 -0.187 0.000 1.341 28 H N 0.061 119.119 119.070 -0.019 0.000 2.672 28 H HA 0.344 4.900 4.556 -0.001 0.000 0.277 28 H C 0.180 175.496 175.328 -0.021 0.000 1.074 28 H CA 0.220 56.257 56.048 -0.019 0.000 1.173 28 H CB 1.123 30.872 29.762 -0.022 0.000 1.558 28 H HN 0.324 nan 8.280 nan 0.000 0.539 29 K N 0.691 121.121 120.400 0.049 0.000 2.387 29 K HA -0.010 4.309 4.320 -0.001 0.000 0.198 29 K C 0.590 177.193 176.600 0.006 0.000 1.022 29 K CA -0.008 56.291 56.287 0.020 0.000 1.128 29 K CB 0.773 33.274 32.500 0.001 0.000 0.853 29 K HN -0.032 nan 8.250 nan 0.000 0.523 30 E N 1.274 121.474 120.200 0.001 0.000 2.324 30 E HA 0.028 4.377 4.350 -0.001 0.000 0.271 30 E C -0.736 175.866 176.600 0.003 0.000 1.028 30 E CA -0.346 56.050 56.400 -0.006 0.000 0.890 30 E CB 0.230 29.919 29.700 -0.017 0.000 1.004 30 E HN 0.190 nan 8.360 nan 0.000 0.431 31 N N 4.336 123.036 118.700 0.001 0.000 3.105 31 N HA 0.123 4.863 4.740 -0.001 0.000 0.256 31 N C -0.843 174.659 175.510 -0.014 0.000 1.174 31 N CA -0.263 52.789 53.050 0.003 0.000 1.030 31 N CB 0.083 38.573 38.487 0.006 0.000 1.305 31 N HN 0.404 nan 8.380 nan 0.000 0.509 32 K N 1.768 122.154 120.400 -0.022 0.000 2.412 32 K HA 0.176 4.495 4.320 -0.001 0.000 0.281 32 K C -0.078 176.471 176.600 -0.084 0.000 1.027 32 K CA 0.021 56.279 56.287 -0.048 0.000 0.989 32 K CB 1.172 33.648 32.500 -0.040 0.000 0.935 32 K HN 0.352 nan 8.250 nan 0.000 0.475 33 L N 4.989 126.130 121.223 -0.136 0.000 2.322 33 L HA 0.396 4.736 4.340 -0.001 0.000 0.279 33 L C -1.621 175.069 176.870 -0.301 0.000 1.036 33 L CA -2.211 52.483 54.840 -0.243 0.000 0.807 33 L CB 0.974 42.855 42.059 -0.296 0.000 1.226 33 L HN 0.543 nan 8.230 nan 0.000 0.433 34 P HA 0.063 nan 4.420 nan 0.000 0.272 34 P C -0.353 176.632 177.300 -0.525 0.000 1.230 34 P CA -0.412 62.420 63.100 -0.446 0.000 0.788 34 P CB 0.603 31.971 31.700 -0.554 0.000 0.949 35 D N 0.080 120.310 120.400 -0.284 0.000 2.351 35 D HA -0.160 4.479 4.640 -0.001 0.000 0.216 35 D C 1.519 177.706 176.300 -0.187 0.000 0.968 35 D CA 0.968 54.849 54.000 -0.198 0.000 0.899 35 D CB -0.702 40.051 40.800 -0.079 0.000 0.907 35 D HN 0.653 nan 8.370 nan 0.000 0.514 36 W N 0.479 121.676 121.300 -0.171 0.000 2.737 36 W HA 0.517 5.177 4.660 -0.000 0.000 0.262 36 W C 0.200 176.554 176.519 -0.275 0.000 1.282 36 W CA -0.181 57.039 57.345 -0.208 0.000 1.386 36 W CB -0.499 28.858 29.460 -0.173 0.000 1.099 36 W HN -0.013 nan 8.180 nan 0.000 0.621 37 A N 1.594 123.908 122.820 -0.844 0.000 2.304 37 A HA 0.472 4.792 4.320 -0.001 0.000 0.271 37 A C -1.176 176.027 177.584 -0.635 0.000 1.091 37 A CA -0.383 51.191 52.037 -0.772 0.000 0.812 37 A CB 0.124 18.444 19.000 -1.133 0.000 1.056 37 A HN 0.120 nan 8.150 nan 0.000 0.489 38 F N 0.600 120.178 119.950 -0.619 0.000 2.396 38 F HA 0.576 5.102 4.527 -0.001 0.000 0.343 38 F C 1.119 176.314 175.800 -1.008 0.000 1.104 38 F CA 1.187 58.662 58.000 -0.874 0.000 1.161 38 F CB 1.416 40.053 39.000 -0.606 0.000 1.146 38 F HN 0.993 nan 8.300 nan 0.000 0.522 39 G N 0.986 108.861 108.800 -1.541 0.000 2.339 39 G HA2 0.404 4.363 3.960 -0.001 0.000 0.381 39 G HA3 0.404 4.363 3.960 -0.001 0.000 0.381 39 G C -0.855 173.767 174.900 -0.463 0.000 1.400 39 G CA -0.648 43.943 45.100 -0.849 0.000 1.002 39 G HN 0.917 nan 8.290 nan 0.000 0.633 40 G N -1.218 107.529 108.800 -0.088 0.000 2.507 40 G HA2 0.612 4.571 3.960 -0.001 0.000 0.271 40 G HA3 0.612 4.571 3.960 -0.001 0.000 0.271 40 G C -0.730 174.209 174.900 0.064 0.000 1.189 40 G CA -0.554 44.585 45.100 0.064 0.000 0.859 40 G HN 0.569 nan 8.290 nan 0.000 0.542 41 F N 0.317 120.403 119.950 0.227 0.000 2.350 41 F HA 0.315 4.841 4.527 -0.001 0.000 0.365 41 F C 0.739 176.689 175.800 0.250 0.000 1.122 41 F CA -0.521 57.607 58.000 0.213 0.000 1.139 41 F CB 1.560 40.604 39.000 0.074 0.000 1.220 41 F HN 0.428 nan 8.300 nan 0.000 0.499 42 E N 3.861 124.239 120.200 0.296 0.000 2.227 42 E HA 0.336 4.686 4.350 -0.001 0.000 0.282 42 E C -0.411 176.343 176.600 0.256 0.000 1.015 42 E CA -0.849 55.700 56.400 0.247 0.000 0.823 42 E CB 0.770 30.559 29.700 0.149 0.000 1.081 42 E HN 0.502 nan 8.360 nan 0.000 0.396 43 R N 5.086 125.761 120.500 0.292 0.000 2.296 43 R HA 0.211 4.551 4.340 -0.001 0.000 0.323 43 R C -2.129 174.284 176.300 0.189 0.000 1.067 43 R CA -1.591 54.688 56.100 0.299 0.000 0.946 43 R CB 0.150 30.688 30.300 0.397 0.000 0.991 43 R HN 0.359 nan 8.270 nan 0.000 0.448 44 P HA 0.048 nan 4.420 nan 0.000 0.271 44 P C -0.743 176.607 177.300 0.083 0.000 1.216 44 P CA -0.411 62.748 63.100 0.098 0.000 0.776 44 P CB 0.583 32.332 31.700 0.082 0.000 0.881 45 K N 2.770 123.217 120.400 0.078 0.000 2.448 45 K HA 0.054 4.374 4.320 -0.001 0.000 0.278 45 K C 0.729 177.361 176.600 0.053 0.000 1.009 45 K CA 0.544 56.873 56.287 0.070 0.000 0.995 45 K CB -0.618 31.922 32.500 0.066 0.000 0.917 45 K HN 0.371 nan 8.250 nan 0.000 0.481 46 N N 0.700 119.425 118.700 0.041 0.000 2.708 46 N HA -0.196 4.543 4.740 -0.001 0.000 0.251 46 N C 0.257 175.772 175.510 0.008 0.000 1.123 46 N CA 0.970 54.037 53.050 0.028 0.000 0.739 46 N CB -1.392 37.126 38.487 0.051 0.000 1.113 46 N HN 0.290 nan 8.380 nan 0.000 0.561 47 V N -0.872 119.016 119.914 -0.044 0.000 3.048 47 V HA 0.092 4.211 4.120 -0.001 0.000 0.241 47 V C 0.985 176.968 176.094 -0.185 0.000 1.129 47 V CA 0.505 62.747 62.300 -0.097 0.000 1.128 47 V CB 0.182 31.940 31.823 -0.108 0.000 0.849 47 V HN 0.274 nan 8.190 nan 0.000 0.475 48 N N 1.743 120.240 118.700 -0.339 0.000 2.524 48 N HA 0.324 5.063 4.740 -0.001 0.000 0.283 48 N C -2.539 172.566 175.510 -0.675 0.000 1.142 48 N CA -1.004 51.618 53.050 -0.714 0.000 0.984 48 N CB 1.065 38.635 38.487 -1.528 0.000 1.155 48 N HN 0.214 nan 8.380 nan 0.000 0.467 49 P HA 0.060 nan 4.420 nan 0.000 0.279 49 P C 1.061 178.224 177.300 -0.228 0.000 1.239 49 P CA -0.402 62.465 63.100 -0.388 0.000 0.789 49 P CB 0.955 32.579 31.700 -0.126 0.000 0.933 50 V N 0.802 120.599 119.914 -0.195 0.000 2.719 50 V HA 0.133 4.253 4.120 -0.001 0.000 0.252 50 V C 0.904 176.911 176.094 -0.144 0.000 1.065 50 V CA 1.029 63.269 62.300 -0.101 0.000 1.086 50 V CB -0.729 31.083 31.823 -0.017 0.000 0.700 50 V HN 0.334 nan 8.190 nan 0.000 0.467 51 I N 0.590 121.024 120.570 -0.226 0.000 2.512 51 I HA 0.541 4.711 4.170 -0.001 0.000 0.287 51 I C -0.675 175.303 176.117 -0.231 0.000 1.069 51 I CA -0.010 61.106 61.300 -0.305 0.000 1.056 51 I CB 2.102 39.769 38.000 -0.554 0.000 1.229 51 I HN 0.052 nan 8.210 nan 0.000 0.429 52 S N 5.746 121.333 115.700 -0.187 0.000 2.634 52 S HA 0.636 5.105 4.470 -0.001 0.000 0.296 52 S C -2.660 171.861 174.600 -0.132 0.000 1.104 52 S CA -1.353 56.775 58.200 -0.119 0.000 0.920 52 S CB 2.127 65.285 63.200 -0.070 0.000 1.111 52 S HN 0.286 nan 8.310 nan 0.000 0.493 53 P HA 0.277 nan 4.420 nan 0.000 0.268 53 P C -1.051 176.189 177.300 -0.099 0.000 1.205 53 P CA 0.134 63.177 63.100 -0.095 0.000 0.771 53 P CB 0.227 31.893 31.700 -0.056 0.000 0.858 54 I N 2.005 122.495 120.570 -0.133 0.000 2.436 54 I HA 0.193 4.363 4.170 -0.001 0.000 0.289 54 I C 1.367 177.425 176.117 -0.098 0.000 1.010 54 I CA -0.480 60.758 61.300 -0.103 0.000 1.098 54 I CB 2.229 40.166 38.000 -0.104 0.000 1.266 54 I HN 0.310 nan 8.210 nan 0.000 0.434 55 E N 4.836 125.006 120.200 -0.050 0.000 2.051 55 E HA -0.169 4.181 4.350 -0.001 0.000 0.189 55 E C 1.697 178.292 176.600 -0.008 0.000 0.979 55 E CA 1.652 58.035 56.400 -0.028 0.000 0.803 55 E CB 0.119 29.813 29.700 -0.010 0.000 0.761 55 E HN 0.710 nan 8.360 nan 0.000 0.451 56 N N 0.397 119.101 118.700 0.006 0.000 2.381 56 N HA -0.105 4.634 4.740 -0.001 0.000 0.182 56 N C 0.222 175.773 175.510 0.068 0.000 1.025 56 N CA 1.125 54.197 53.050 0.036 0.000 0.888 56 N CB -1.051 37.458 38.487 0.038 0.000 0.965 56 N HN 0.180 nan 8.380 nan 0.000 0.438 57 T N -0.155 114.436 114.554 0.062 0.000 2.799 57 T HA 0.245 4.595 4.350 -0.001 0.000 0.296 57 T C 0.037 174.896 174.700 0.265 0.000 0.947 57 T CA -0.510 61.687 62.100 0.162 0.000 1.141 57 T CB 1.211 70.178 68.868 0.165 0.000 0.891 57 T HN -0.066 nan 8.240 nan 0.000 0.533 58 K N 2.414 123.009 120.400 0.326 0.000 2.208 58 K HA 0.650 4.969 4.320 -0.001 0.000 0.247 58 K C -1.114 175.752 176.600 0.443 0.000 0.953 58 K CA -0.818 55.684 56.287 0.358 0.000 0.837 58 K CB 2.139 34.762 32.500 0.205 0.000 1.131 58 K HN 0.743 nan 8.250 nan 0.000 0.431 59 F N 1.279 121.351 119.950 0.202 0.000 2.574 59 F HA 0.271 4.798 4.527 -0.001 0.000 0.313 59 F C -1.436 174.359 175.800 -0.009 0.000 1.130 59 F CA -1.222 56.770 58.000 -0.014 0.000 0.936 59 F CB 1.085 39.890 39.000 -0.324 0.000 1.219 59 F HN 0.490 nan 8.300 nan 0.000 0.445 60 Y N 7.116 126.908 120.300 -0.847 0.000 2.585 60 Y HA 0.350 4.899 4.550 -0.001 0.000 0.354 60 Y C -0.039 175.020 175.900 -1.403 0.000 1.024 60 Y CA -0.470 57.145 58.100 -0.808 0.000 1.321 60 Y CB 0.077 38.273 38.460 -0.441 0.000 1.151 60 Y HN 0.883 nan 8.280 nan 0.000 0.525 61 C N 10.767 129.232 119.300 -1.392 0.000 2.555 61 C HA 0.241 4.700 4.460 -0.001 0.000 0.385 61 C C -0.853 173.670 174.990 -0.779 0.000 1.296 61 C CA -1.940 56.499 59.018 -0.966 0.000 1.757 61 C CB -0.064 27.444 27.740 -0.386 0.000 2.445 61 C HN 0.809 nan 8.230 nan 0.000 0.571 62 P HA -0.098 nan 4.420 nan 0.000 0.223 62 P C 1.312 178.440 177.300 -0.287 0.000 1.151 62 P CA 1.456 64.423 63.100 -0.222 0.000 0.787 62 P CB 0.127 31.808 31.700 -0.032 0.000 0.788 63 L N -1.028 119.949 121.223 -0.410 0.000 2.202 63 L HA 0.009 4.348 4.340 -0.001 0.000 0.205 63 L C 2.334 178.911 176.870 -0.488 0.000 1.083 63 L CA 1.404 55.875 54.840 -0.616 0.000 0.790 63 L CB -1.349 39.959 42.059 -1.252 0.000 0.942 63 L HN -0.066 nan 8.230 nan 0.000 0.452 64 T N -1.144 113.198 114.554 -0.353 0.000 3.023 64 T HA -0.039 4.311 4.350 -0.001 0.000 0.266 64 T C 0.654 175.216 174.700 -0.230 0.000 1.093 64 T CA 0.282 62.291 62.100 -0.152 0.000 1.129 64 T CB 0.046 68.889 68.868 -0.041 0.000 0.899 64 T HN 0.134 nan 8.240 nan 0.000 0.491 65 K N 1.347 121.508 120.400 -0.399 0.000 3.129 65 K HA -0.148 4.171 4.320 -0.001 0.000 0.273 65 K C -0.768 175.596 176.600 -0.393 0.000 1.123 65 K CA 0.757 56.826 56.287 -0.363 0.000 0.800 65 K CB -1.578 30.857 32.500 -0.109 0.000 1.238 65 K HN 0.569 nan 8.250 nan 0.000 0.492 66 D N -1.603 118.400 120.400 -0.661 0.000 2.648 66 D HA 0.280 4.920 4.640 -0.001 0.000 0.244 66 D C -1.105 174.971 176.300 -0.373 0.000 1.244 66 D CA -0.293 53.508 54.000 -0.333 0.000 0.772 66 D CB 1.250 41.977 40.800 -0.123 0.000 1.379 66 D HN -0.080 nan 8.370 nan 0.000 0.428 67 S N 0.572 116.216 115.700 -0.093 0.000 2.565 67 S HA 0.634 5.104 4.470 -0.001 0.000 0.276 67 S C 0.050 174.650 174.600 -0.000 0.000 1.326 67 S CA -0.449 57.730 58.200 -0.036 0.000 1.045 67 S CB 0.036 63.280 63.200 0.074 0.000 0.918 67 S HN 0.378 nan 8.310 nan 0.000 0.505 68 I N -1.247 119.361 120.570 0.064 0.000 2.802 68 I HA 0.771 4.940 4.170 -0.001 0.000 0.298 68 I C -0.341 175.936 176.117 0.266 0.000 1.176 68 I CA -1.533 59.853 61.300 0.145 0.000 1.025 68 I CB 2.005 40.097 38.000 0.153 0.000 1.243 68 I HN 0.535 nan 8.210 nan 0.000 0.424 69 A N 5.955 128.891 122.820 0.193 0.000 3.037 69 A HA 0.142 4.461 4.320 -0.001 0.000 0.272 69 A C 0.886 178.554 177.584 0.140 0.000 1.723 69 A CA -0.576 51.552 52.037 0.151 0.000 1.413 69 A CB -0.850 18.189 19.000 0.064 0.000 1.112 69 A HN 0.975 nan 8.150 nan 0.000 0.606 70 W N 1.944 123.326 121.300 0.136 0.000 2.424 70 W HA -0.161 4.498 4.660 -0.001 0.000 0.264 70 W C 0.157 176.741 176.519 0.109 0.000 1.229 70 W CA 1.331 58.752 57.345 0.127 0.000 1.208 70 W CB -0.457 29.073 29.460 0.116 0.000 1.127 70 W HN 0.787 nan 8.180 nan 0.000 0.588 71 E N 0.745 120.578 120.200 -0.611 0.000 3.105 71 E HA 0.157 4.506 4.350 -0.001 0.000 0.198 71 E C 1.083 177.516 176.600 -0.279 0.000 0.976 71 E CA 0.412 56.486 56.400 -0.543 0.000 1.219 71 E CB -0.146 28.901 29.700 -1.088 0.000 1.081 71 E HN 0.061 nan 8.360 nan 0.000 0.464 72 S N -0.218 115.392 115.700 -0.151 0.000 2.478 72 S HA -0.017 4.452 4.470 -0.001 0.000 0.222 72 S C 1.554 176.131 174.600 -0.038 0.000 1.008 72 S CA 0.874 59.025 58.200 -0.081 0.000 0.928 72 S CB -0.121 63.056 63.200 -0.038 0.000 0.781 72 S HN 0.238 nan 8.310 nan 0.000 0.518 73 N N 1.294 119.988 118.700 -0.010 0.000 2.508 73 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 73 N C -0.999 174.516 175.510 0.008 0.000 1.034 73 N CA 0.685 53.738 53.050 0.005 0.000 0.885 73 N CB 0.636 39.140 38.487 0.029 0.000 1.135 73 N HN 0.250 nan 8.380 nan 0.000 0.435 74 D N -0.848 119.588 120.400 0.060 0.000 2.947 74 D HA 0.236 4.875 4.640 -0.001 0.000 0.224 74 D C -1.231 175.232 176.300 0.273 0.000 1.230 74 D CA -0.266 53.802 54.000 0.114 0.000 0.871 74 D CB 1.890 42.739 40.800 0.082 0.000 1.671 74 D HN 0.186 nan 8.370 nan 0.000 0.507 75 T N -0.669 114.051 114.554 0.278 0.000 2.930 75 T HA 0.690 5.040 4.350 -0.001 0.000 0.313 75 T C -0.475 174.439 174.700 0.357 0.000 1.019 75 T CA -0.683 61.579 62.100 0.269 0.000 1.004 75 T CB 0.159 68.992 68.868 -0.058 0.000 0.987 75 T HN 0.351 nan 8.240 nan 0.000 0.456 76 F N 0.183 120.170 119.950 0.061 0.000 3.413 76 F HA 0.687 5.214 4.527 -0.000 0.000 0.328 76 F C -0.831 175.015 175.800 0.076 0.000 1.209 76 F CA -1.758 56.266 58.000 0.041 0.000 0.930 76 F CB -0.474 38.545 39.000 0.032 0.000 1.559 76 F HN 0.317 nan 8.300 nan 0.000 0.523 77 N N 2.239 120.963 118.700 0.040 0.000 2.780 77 N HA -0.114 4.626 4.740 -0.001 0.000 0.296 77 N C -2.794 172.697 175.510 -0.031 0.000 1.074 77 N CA 0.741 53.787 53.050 -0.007 0.000 0.806 77 N CB -1.376 36.961 38.487 -0.251 0.000 0.966 77 N HN 0.506 nan 8.380 nan 0.000 0.585 78 P HA 0.498 nan 4.420 nan 0.000 0.287 78 P C -0.911 176.398 177.300 0.015 0.000 1.279 78 P CA -0.694 62.411 63.100 0.008 0.000 0.867 78 P CB 1.528 33.222 31.700 -0.009 0.000 1.127 79 A N 1.302 124.101 122.820 -0.035 0.000 2.294 79 A HA 0.833 5.152 4.320 -0.001 0.000 0.330 79 A C -0.601 176.958 177.584 -0.042 0.000 1.133 79 A CA -0.561 51.466 52.037 -0.017 0.000 0.836 79 A CB 0.633 19.601 19.000 -0.054 0.000 1.190 79 A HN 0.653 nan 8.150 nan 0.000 0.492 80 A N 0.032 122.866 122.820 0.023 0.000 2.520 80 A HA 0.839 5.159 4.320 -0.001 0.000 0.298 80 A C -0.435 177.211 177.584 0.104 0.000 1.051 80 A CA 0.153 52.188 52.037 -0.003 0.000 0.690 80 A CB 1.586 20.604 19.000 0.029 0.000 1.281 80 A HN 1.711 nan 8.150 nan 0.000 0.402 81 T N 0.070 114.673 114.554 0.081 0.000 2.711 81 T HA 0.561 4.911 4.350 -0.001 0.000 0.302 81 T C -2.029 172.764 174.700 0.155 0.000 1.373 81 T CA -0.299 61.910 62.100 0.183 0.000 1.000 81 T CB 1.049 70.077 68.868 0.267 0.000 1.483 81 T HN 1.419 nan 8.240 nan 0.000 0.499 82 L N 2.828 124.207 121.223 0.260 0.000 2.307 82 L HA 0.842 5.181 4.340 -0.001 0.000 0.284 82 L C -1.711 175.384 176.870 0.375 0.000 1.023 82 L CA -0.466 54.517 54.840 0.237 0.000 0.810 82 L CB 1.140 43.346 42.059 0.244 0.000 1.231 82 L HN 0.731 nan 8.230 nan 0.000 0.423 83 Y N 4.915 125.281 120.300 0.111 0.000 2.358 83 Y HA 0.299 4.848 4.550 -0.001 0.000 0.324 83 Y C 0.047 175.995 175.900 0.081 0.000 1.123 83 Y CA -0.957 57.218 58.100 0.125 0.000 1.067 83 Y CB 0.980 39.444 38.460 0.006 0.000 1.230 83 Y HN 0.773 nan 8.280 nan 0.000 0.429 84 N N 4.030 122.525 118.700 -0.342 0.000 2.725 84 N HA -0.173 4.566 4.740 -0.001 0.000 0.251 84 N C 0.810 176.279 175.510 -0.069 0.000 1.031 84 N CA 1.965 54.843 53.050 -0.286 0.000 0.720 84 N CB -1.075 37.151 38.487 -0.434 0.000 0.930 84 N HN 1.503 nan 8.380 nan 0.000 0.543 85 G N -1.331 107.483 108.800 0.024 0.000 2.168 85 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.257 85 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.257 85 G C -0.175 174.850 174.900 0.208 0.000 0.997 85 G CA 0.916 46.090 45.100 0.124 0.000 0.708 85 G HN 0.616 nan 8.290 nan 0.000 0.520 86 E N -1.197 119.050 120.200 0.079 0.000 2.367 86 E HA 0.584 4.933 4.350 -0.001 0.000 0.273 86 E C -0.209 176.243 176.600 -0.247 0.000 0.903 86 E CA -1.127 55.209 56.400 -0.107 0.000 0.764 86 E CB 1.811 31.477 29.700 -0.057 0.000 1.252 86 E HN 0.185 nan 8.360 nan 0.000 0.446 87 I N 2.226 122.475 120.570 -0.535 0.000 2.352 87 I HA 0.170 4.339 4.170 -0.001 0.000 0.290 87 I C -0.514 175.472 176.117 -0.217 0.000 1.036 87 I CA -0.536 60.513 61.300 -0.417 0.000 1.336 87 I CB 0.879 38.534 38.000 -0.575 0.000 1.407 87 I HN 0.098 nan 8.210 nan 0.000 0.497 88 V N 7.751 127.581 119.914 -0.139 0.000 2.435 88 V HA 0.401 4.520 4.120 -0.001 0.000 0.290 88 V C -0.011 175.959 176.094 -0.205 0.000 1.030 88 V CA -0.605 61.571 62.300 -0.207 0.000 0.881 88 V CB 2.148 33.795 31.823 -0.293 0.000 0.983 88 V HN 0.374 nan 8.190 nan 0.000 0.445 89 V N 6.063 125.838 119.914 -0.231 0.000 2.540 89 V HA 0.503 4.623 4.120 -0.001 0.000 0.302 89 V C -0.715 175.256 176.094 -0.206 0.000 1.035 89 V CA -0.617 61.523 62.300 -0.268 0.000 0.873 89 V CB 1.882 33.410 31.823 -0.491 0.000 0.992 89 V HN 0.602 nan 8.190 nan 0.000 0.428 90 L N 6.306 127.433 121.223 -0.160 0.000 2.280 90 L HA 0.537 4.876 4.340 -0.001 0.000 0.287 90 L C -0.603 176.202 176.870 -0.108 0.000 1.023 90 L CA -0.214 54.531 54.840 -0.159 0.000 0.819 90 L CB 1.035 42.981 42.059 -0.188 0.000 1.212 90 L HN 0.680 nan 8.230 nan 0.000 0.420 91 Y N 1.017 121.255 120.300 -0.104 0.000 2.387 91 Y HA 0.659 5.209 4.550 -0.001 0.000 0.336 91 Y C 0.189 176.042 175.900 -0.079 0.000 1.067 91 Y CA -1.478 56.556 58.100 -0.110 0.000 1.114 91 Y CB 0.721 39.116 38.460 -0.109 0.000 1.208 91 Y HN 0.543 nan 8.280 nan 0.000 0.458 92 R N 2.699 123.160 120.500 -0.064 0.000 2.370 92 R HA 0.607 4.947 4.340 -0.001 0.000 0.309 92 R C -1.104 175.197 176.300 0.001 0.000 1.059 92 R CA 0.079 56.073 56.100 -0.176 0.000 0.981 92 R CB -0.087 29.896 30.300 -0.528 0.000 0.972 92 R HN 0.977 nan 8.270 nan 0.000 0.437 93 A N 4.611 127.504 122.820 0.123 0.000 2.365 93 A HA 0.460 4.780 4.320 -0.001 0.000 0.318 93 A C -1.123 176.598 177.584 0.227 0.000 1.091 93 A CA -0.733 51.443 52.037 0.232 0.000 0.763 93 A CB 1.423 20.574 19.000 0.252 0.000 1.248 93 A HN 0.844 nan 8.150 nan 0.000 0.442 94 E N 1.016 121.350 120.200 0.222 0.000 2.293 94 E HA 0.393 4.743 4.350 -0.001 0.000 0.270 94 E C -1.333 175.352 176.600 0.142 0.000 0.879 94 E CA -0.899 55.624 56.400 0.206 0.000 0.756 94 E CB 2.084 31.932 29.700 0.247 0.000 1.208 94 E HN 0.814 nan 8.360 nan 0.000 0.428 95 D N 0.996 121.484 120.400 0.146 0.000 2.423 95 D HA 0.116 4.755 4.640 -0.001 0.000 0.255 95 D C 0.088 176.439 176.300 0.085 0.000 1.174 95 D CA -0.556 53.512 54.000 0.113 0.000 1.008 95 D CB 0.714 41.603 40.800 0.149 0.000 1.101 95 D HN 0.201 nan 8.370 nan 0.000 0.516 96 K N -0.416 120.021 120.400 0.063 0.000 2.551 96 K HA 0.044 4.363 4.320 -0.001 0.000 0.204 96 K C 1.269 177.898 176.600 0.048 0.000 1.033 96 K CA 0.015 56.329 56.287 0.046 0.000 1.187 96 K CB -0.109 32.409 32.500 0.030 0.000 0.900 96 K HN 0.438 nan 8.250 nan 0.000 0.499 97 S N -0.357 115.380 115.700 0.060 0.000 2.493 97 S HA -0.071 4.399 4.470 -0.001 0.000 0.243 97 S C 0.998 175.623 174.600 0.041 0.000 0.991 97 S CA 0.435 58.665 58.200 0.049 0.000 0.957 97 S CB -0.006 63.223 63.200 0.049 0.000 0.756 97 S HN 0.317 nan 8.310 nan 0.000 0.521 98 G N -0.709 108.124 108.800 0.054 0.000 2.798 98 G HA2 0.564 4.524 3.960 -0.001 0.000 0.286 98 G HA3 0.564 4.524 3.960 -0.001 0.000 0.286 98 G C 0.132 175.053 174.900 0.035 0.000 1.389 98 G CA -0.101 45.039 45.100 0.065 0.000 0.894 98 G HN 0.241 nan 8.290 nan 0.000 0.488 99 V N -0.157 119.756 119.914 -0.003 0.000 2.325 99 V HA 0.551 4.670 4.120 -0.001 0.000 0.229 99 V C 1.472 177.537 176.094 -0.048 0.000 1.062 99 V CA 2.281 64.549 62.300 -0.054 0.000 1.039 99 V CB -0.081 31.672 31.823 -0.117 0.000 0.667 99 V HN 1.068 nan 8.190 nan 0.000 0.474 100 G N -0.778 107.963 108.800 -0.099 0.000 3.008 100 G HA2 0.425 4.384 3.960 -0.001 0.000 0.181 100 G HA3 0.425 4.384 3.960 -0.001 0.000 0.181 100 G C -0.032 174.919 174.900 0.085 0.000 1.309 100 G CA -0.501 44.575 45.100 -0.040 0.000 1.009 100 G HN 1.084 nan 8.290 nan 0.000 0.584 101 I N -0.842 119.789 120.570 0.101 0.000 3.352 101 I HA 0.150 4.320 4.170 -0.001 0.000 0.344 101 I C 1.178 177.502 176.117 0.345 0.000 1.229 101 I CA 0.842 62.247 61.300 0.175 0.000 1.458 101 I CB -0.844 37.232 38.000 0.127 0.000 1.321 101 I HN 1.246 nan 8.210 nan 0.000 0.494 102 G N 4.156 113.106 108.800 0.250 0.000 2.321 102 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.287 102 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.287 102 G C 0.167 175.248 174.900 0.301 0.000 1.018 102 G CA 0.856 46.129 45.100 0.289 0.000 0.855 102 G HN 1.006 nan 8.290 nan 0.000 0.507 103 H N -1.294 117.878 119.070 0.169 0.000 2.784 103 H HA 0.328 4.884 4.556 -0.001 0.000 0.273 103 H C 1.597 176.945 175.328 0.033 0.000 1.112 103 H CA 0.033 56.128 56.048 0.078 0.000 1.162 103 H CB 0.528 30.314 29.762 0.041 0.000 1.586 103 H HN 0.543 nan 8.280 nan 0.000 0.548 104 R N -0.471 120.125 120.500 0.160 0.000 2.810 104 R HA 0.565 4.904 4.340 -0.001 0.000 0.245 104 R C -0.448 175.895 176.300 0.071 0.000 1.168 104 R CA -0.663 55.500 56.100 0.106 0.000 1.096 104 R CB 0.949 31.331 30.300 0.137 0.000 1.259 104 R HN -0.057 nan 8.270 nan 0.000 0.518 105 T N 0.704 115.294 114.554 0.060 0.000 2.758 105 T HA 0.269 4.619 4.350 -0.001 0.000 0.285 105 T C -0.485 174.300 174.700 0.142 0.000 0.981 105 T CA -0.481 61.648 62.100 0.049 0.000 0.965 105 T CB 1.315 70.182 68.868 -0.002 0.000 0.927 105 T HN 0.350 nan 8.240 nan 0.000 0.448 106 S N 3.929 119.718 115.700 0.148 0.000 2.475 106 S HA 0.515 4.984 4.470 -0.001 0.000 0.281 106 S C 0.232 174.913 174.600 0.134 0.000 1.198 106 S CA -0.780 57.505 58.200 0.142 0.000 1.063 106 S CB 0.625 63.888 63.200 0.105 0.000 0.972 106 S HN 0.499 nan 8.310 nan 0.000 0.486 107 R N 1.688 122.273 120.500 0.141 0.000 2.795 107 R HA 0.538 4.877 4.340 -0.001 0.000 0.275 107 R C -1.197 175.133 176.300 0.051 0.000 0.981 107 R CA -0.841 55.313 56.100 0.090 0.000 0.917 107 R CB 1.363 31.699 30.300 0.061 0.000 1.202 107 R HN 0.464 nan 8.270 nan 0.000 0.469 108 L N 1.527 122.728 121.223 -0.037 0.000 2.264 108 L HA 0.457 4.797 4.340 -0.001 0.000 0.289 108 L C 0.789 177.517 176.870 -0.237 0.000 1.044 108 L CA -0.632 54.122 54.840 -0.143 0.000 0.807 108 L CB 1.476 43.428 42.059 -0.177 0.000 1.192 108 L HN 0.745 nan 8.230 nan 0.000 0.425 109 G N 1.627 110.115 108.800 -0.520 0.000 2.476 109 G HA2 0.311 4.270 3.960 -0.001 0.000 0.286 109 G HA3 0.311 4.270 3.960 -0.001 0.000 0.286 109 G C -1.712 172.852 174.900 -0.559 0.000 1.177 109 G CA -0.161 44.508 45.100 -0.718 0.000 0.870 109 G HN 0.495 nan 8.290 nan 0.000 0.528 110 Y N 0.442 120.623 120.300 -0.198 0.000 2.376 110 Y HA 0.638 5.188 4.550 -0.001 0.000 0.340 110 Y C -0.191 175.835 175.900 0.209 0.000 0.965 110 Y CA -0.868 57.234 58.100 0.003 0.000 1.078 110 Y CB 1.815 40.276 38.460 0.003 0.000 1.193 110 Y HN 0.794 nan 8.280 nan 0.000 0.452 111 A N 3.727 126.490 122.820 -0.094 0.000 2.520 111 A HA 0.796 5.115 4.320 -0.001 0.000 0.298 111 A C -1.235 176.320 177.584 -0.048 0.000 1.051 111 A CA -0.661 51.441 52.037 0.108 0.000 0.690 111 A CB 1.471 20.613 19.000 0.237 0.000 1.281 111 A HN 0.652 nan 8.150 nan 0.000 0.402 112 T N 0.801 115.408 114.554 0.089 0.000 2.908 112 T HA 0.782 5.131 4.350 -0.001 0.000 0.290 112 T C -0.367 174.229 174.700 -0.173 0.000 1.034 112 T CA -0.547 61.534 62.100 -0.030 0.000 1.010 112 T CB 1.654 70.540 68.868 0.030 0.000 1.068 112 T HN 1.041 nan 8.240 nan 0.000 0.481 113 S N -0.015 115.430 115.700 -0.425 0.000 2.540 113 S HA 0.531 5.000 4.470 -0.001 0.000 0.275 113 S C 0.864 175.205 174.600 -0.433 0.000 1.123 113 S CA -0.312 57.500 58.200 -0.647 0.000 0.907 113 S CB 1.479 63.787 63.200 -1.488 0.000 1.081 113 S HN 0.883 nan 8.310 nan 0.000 0.476 114 T N -0.370 114.029 114.554 -0.257 0.000 3.044 114 T HA 0.163 4.512 4.350 -0.001 0.000 0.250 114 T C 0.524 175.234 174.700 0.017 0.000 1.081 114 T CA 0.901 62.949 62.100 -0.087 0.000 1.040 114 T CB -0.244 68.619 68.868 -0.008 0.000 0.962 114 T HN 0.657 nan 8.240 nan 0.000 0.506 115 D N -0.461 119.885 120.400 -0.090 0.000 2.520 115 D HA 0.271 4.910 4.640 -0.001 0.000 0.223 115 D C 1.593 177.838 176.300 -0.093 0.000 1.186 115 D CA 0.342 54.377 54.000 0.057 0.000 0.821 115 D CB -0.394 40.484 40.800 0.131 0.000 1.072 115 D HN 0.452 nan 8.370 nan 0.000 0.518 116 G N 0.391 108.945 108.800 -0.411 0.000 2.205 116 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.261 116 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.261 116 G C 1.132 176.110 174.900 0.130 0.000 0.980 116 G CA 1.338 46.228 45.100 -0.350 0.000 0.632 116 G HN 0.744 nan 8.290 nan 0.000 0.533 117 T N -3.676 110.867 114.554 -0.018 0.000 2.954 117 T HA 0.384 4.734 4.350 -0.001 0.000 0.252 117 T C 0.504 175.055 174.700 -0.247 0.000 0.983 117 T CA 0.800 62.883 62.100 -0.028 0.000 0.941 117 T CB 0.416 69.184 68.868 -0.167 0.000 1.141 117 T HN 0.507 nan 8.240 nan 0.000 0.500 118 H N 0.102 119.144 119.070 -0.046 0.000 2.539 118 H HA 0.626 5.181 4.556 -0.001 0.000 0.332 118 H C -1.464 173.739 175.328 -0.208 0.000 1.031 118 H CA -0.778 55.262 56.048 -0.014 0.000 1.206 118 H CB 0.854 30.602 29.762 -0.024 0.000 1.446 118 H HN 0.125 nan 8.280 nan 0.000 0.496 119 F N 1.226 121.215 119.950 0.065 0.000 2.492 119 F HA 0.369 4.896 4.527 -0.001 0.000 0.327 119 F C 0.107 175.927 175.800 0.034 0.000 1.079 119 F CA -0.762 57.244 58.000 0.011 0.000 0.967 119 F CB 1.765 40.736 39.000 -0.048 0.000 1.169 119 F HN 0.401 nan 8.300 nan 0.000 0.472 120 Q N 2.992 122.913 119.800 0.201 0.000 2.381 120 Q HA 0.450 4.790 4.340 -0.001 0.000 0.263 120 Q C -0.822 175.313 176.000 0.225 0.000 1.030 120 Q CA -0.669 55.233 55.803 0.166 0.000 0.772 120 Q CB 1.844 30.650 28.738 0.113 0.000 1.232 120 Q HN 0.530 nan 8.270 nan 0.000 0.476 121 R N 1.108 121.744 120.500 0.228 0.000 2.457 121 R HA 0.297 4.637 4.340 -0.001 0.000 0.284 121 R C -0.080 176.400 176.300 0.301 0.000 1.024 121 R CA -0.741 55.541 56.100 0.303 0.000 1.025 121 R CB 1.119 31.585 30.300 0.277 0.000 1.063 121 R HN 0.401 nan 8.270 nan 0.000 0.493 122 E N 1.779 122.198 120.200 0.365 0.000 2.319 122 E HA 0.070 4.420 4.350 -0.001 0.000 0.268 122 E C 0.092 176.900 176.600 0.345 0.000 1.050 122 E CA -0.187 56.381 56.400 0.280 0.000 0.878 122 E CB 1.161 30.981 29.700 0.200 0.000 1.066 122 E HN 0.420 nan 8.360 nan 0.000 0.406 123 K N 0.207 120.778 120.400 0.284 0.000 2.444 123 K HA 0.036 4.355 4.320 -0.001 0.000 0.193 123 K C 0.507 177.390 176.600 0.472 0.000 1.024 123 K CA 0.369 56.882 56.287 0.377 0.000 1.077 123 K CB 0.230 32.883 32.500 0.256 0.000 0.833 123 K HN 0.530 nan 8.250 nan 0.000 0.517 124 T N -0.811 113.844 114.554 0.167 0.000 2.900 124 T HA 0.383 4.733 4.350 -0.001 0.000 0.295 124 T C -3.003 171.200 174.700 -0.828 0.000 1.044 124 T CA -2.453 59.426 62.100 -0.369 0.000 0.995 124 T CB 2.456 71.217 68.868 -0.179 0.000 1.072 124 T HN -0.240 nan 8.240 nan 0.000 0.473 125 P HA 0.218 nan 4.420 nan 0.000 0.275 125 P C 1.069 178.086 177.300 -0.472 0.000 1.228 125 P CA -0.541 61.825 63.100 -1.222 0.000 0.786 125 P CB 1.085 31.915 31.700 -1.449 0.000 0.927 126 V N -1.330 118.481 119.914 -0.172 0.000 3.660 126 V HA 0.405 4.524 4.120 -0.001 0.000 0.276 126 V C 0.120 176.286 176.094 0.120 0.000 1.317 126 V CA 0.412 62.733 62.300 0.035 0.000 1.097 126 V CB -0.905 30.976 31.823 0.097 0.000 0.863 126 V HN 0.328 nan 8.190 nan 0.000 0.438 127 F N 2.474 122.305 119.950 -0.199 0.000 2.607 127 F HA 0.765 5.291 4.527 -0.001 0.000 0.322 127 F C -1.061 174.579 175.800 -0.266 0.000 1.176 127 F CA -1.614 56.139 58.000 -0.411 0.000 0.977 127 F CB 1.806 40.432 39.000 -0.623 0.000 1.242 127 F HN 0.273 nan 8.300 nan 0.000 0.465 128 Y N 3.574 123.468 120.300 -0.676 0.000 2.677 128 Y HA 0.721 5.271 4.550 -0.000 0.000 0.334 128 Y C -3.194 172.476 175.900 -0.384 0.000 1.196 128 Y CA -3.012 54.834 58.100 -0.423 0.000 1.059 128 Y CB 0.464 38.769 38.460 -0.259 0.000 1.315 128 Y HN 0.293 nan 8.280 nan 0.000 0.455 129 P HA 0.239 nan 4.420 nan 0.000 0.275 129 P C -1.025 176.336 177.300 0.101 0.000 1.227 129 P CA 0.580 63.717 63.100 0.060 0.000 0.781 129 P CB 1.687 33.573 31.700 0.311 0.000 0.906 130 D N 1.090 121.473 120.400 -0.029 0.000 2.643 130 D HA 0.100 4.740 4.640 -0.001 0.000 0.283 130 D C -0.603 175.643 176.300 -0.091 0.000 1.242 130 D CA -0.628 53.355 54.000 -0.028 0.000 0.863 130 D CB 0.934 41.728 40.800 -0.009 0.000 1.382 130 D HN 0.047 nan 8.370 nan 0.000 0.444 131 N N 1.228 119.873 118.700 -0.092 0.000 3.027 131 N HA 0.114 4.853 4.740 -0.001 0.000 0.309 131 N C -1.171 174.303 175.510 -0.060 0.000 1.222 131 N CA 0.074 53.068 53.050 -0.092 0.000 1.187 131 N CB -0.526 37.908 38.487 -0.088 0.000 1.458 131 N HN 0.346 nan 8.380 nan 0.000 0.535 132 D N -2.425 117.942 120.400 -0.056 0.000 2.727 132 D HA 0.223 4.862 4.640 -0.001 0.000 0.264 132 D C 0.968 177.256 176.300 -0.021 0.000 1.101 132 D CA -0.597 53.378 54.000 -0.042 0.000 1.122 132 D CB -0.183 40.580 40.800 -0.061 0.000 1.390 132 D HN 0.011 nan 8.370 nan 0.000 0.606 133 S N -1.457 114.239 115.700 -0.007 0.000 2.469 133 S HA -0.184 4.286 4.470 -0.001 0.000 0.238 133 S C 0.989 175.612 174.600 0.038 0.000 0.998 133 S CA 0.771 58.981 58.200 0.017 0.000 0.957 133 S CB -0.466 62.749 63.200 0.026 0.000 0.764 133 S HN 0.451 nan 8.310 nan 0.000 0.514 134 Q N 0.679 120.498 119.800 0.032 0.000 2.247 134 Q HA 0.292 4.632 4.340 -0.001 0.000 0.204 134 Q C 1.551 177.588 176.000 0.061 0.000 0.872 134 Q CA 0.037 55.874 55.803 0.057 0.000 0.951 134 Q CB 0.023 28.802 28.738 0.067 0.000 1.099 134 Q HN 0.734 nan 8.270 nan 0.000 0.501 135 K N 1.500 121.924 120.400 0.039 0.000 2.059 135 K HA -0.205 4.115 4.320 -0.001 0.000 0.212 135 K C 1.187 177.854 176.600 0.111 0.000 1.050 135 K CA 1.446 57.764 56.287 0.052 0.000 0.927 135 K CB 0.366 32.857 32.500 -0.015 0.000 0.714 135 K HN 0.000 nan 8.250 nan 0.000 0.447 136 E N 0.527 120.777 120.200 0.083 0.000 2.268 136 E HA -0.125 4.225 4.350 -0.001 0.000 0.195 136 E C 1.979 178.629 176.600 0.083 0.000 0.995 136 E CA 0.798 57.248 56.400 0.084 0.000 0.836 136 E CB 0.012 29.746 29.700 0.056 0.000 0.763 136 E HN 0.462 nan 8.360 nan 0.000 0.491 137 L N -0.092 121.185 121.223 0.090 0.000 2.416 137 L HA 0.071 4.410 4.340 -0.001 0.000 0.216 137 L C 1.632 178.560 176.870 0.095 0.000 1.098 137 L CA 0.593 55.478 54.840 0.075 0.000 0.840 137 L CB -0.002 42.088 42.059 0.052 0.000 0.981 137 L HN -0.014 nan 8.230 nan 0.000 0.462 138 E N -1.396 118.884 120.200 0.133 0.000 2.489 138 E HA 0.011 4.360 4.350 -0.001 0.000 0.204 138 E C 0.043 176.779 176.600 0.227 0.000 1.006 138 E CA -0.227 56.276 56.400 0.172 0.000 0.936 138 E CB 0.714 30.513 29.700 0.165 0.000 1.002 138 E HN 0.281 nan 8.360 nan 0.000 0.488 139 W N 2.597 123.887 121.300 -0.016 0.000 2.573 139 W HA 0.258 4.917 4.660 -0.001 0.000 0.326 139 W C -2.539 173.935 176.519 -0.076 0.000 1.049 139 W CA -2.235 55.092 57.345 -0.030 0.000 1.220 139 W CB 1.719 31.168 29.460 -0.018 0.000 1.373 139 W HN -0.158 nan 8.180 nan 0.000 0.507 140 P HA 0.140 nan 4.420 nan 0.000 0.268 140 P C 1.085 177.979 177.300 -0.677 0.000 1.329 140 P CA 0.293 62.544 63.100 -1.414 0.000 0.899 140 P CB 0.656 31.470 31.700 -1.477 0.000 1.378 141 G N 0.215 108.768 108.800 -0.413 0.000 2.421 141 G HA2 0.259 4.219 3.960 -0.001 0.000 0.217 141 G HA3 0.259 4.219 3.960 -0.001 0.000 0.217 141 G C 0.928 175.907 174.900 0.130 0.000 1.143 141 G CA 0.662 45.702 45.100 -0.099 0.000 0.784 141 G HN 0.581 nan 8.290 nan 0.000 0.541 142 G N -1.603 107.264 108.800 0.112 0.000 2.527 142 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.227 142 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.227 142 G C -0.335 174.696 174.900 0.219 0.000 1.291 142 G CA -0.185 45.020 45.100 0.176 0.000 0.904 142 G HN 0.892 nan 8.290 nan 0.000 0.577 143 C N 1.101 120.508 119.300 0.178 0.000 2.301 143 C HA 0.757 5.216 4.460 -0.001 0.000 0.323 143 C C 0.307 175.397 174.990 0.167 0.000 1.265 143 C CA -0.592 58.572 59.018 0.242 0.000 1.503 143 C CB 0.147 27.939 27.740 0.086 0.000 2.195 143 C HN 0.682 nan 8.230 nan 0.000 0.477 144 E N 0.628 120.942 120.200 0.191 0.000 2.281 144 E HA 0.366 4.716 4.350 -0.001 0.000 0.262 144 E C -0.987 175.624 176.600 0.018 0.000 0.933 144 E CA -0.745 55.677 56.400 0.037 0.000 0.809 144 E CB 0.836 30.527 29.700 -0.014 0.000 1.242 144 E HN 0.583 nan 8.360 nan 0.000 0.418 145 D N 1.843 122.189 120.400 -0.090 0.000 2.980 145 D HA -0.120 4.519 4.640 -0.001 0.000 0.218 145 D C -2.356 173.947 176.300 0.005 0.000 1.225 145 D CA 0.458 54.429 54.000 -0.049 0.000 0.804 145 D CB -1.028 39.763 40.800 -0.014 0.000 0.906 145 D HN 0.167 nan 8.370 nan 0.000 0.396 146 P HA 0.355 nan 4.420 nan 0.000 0.281 146 P C -0.279 177.002 177.300 -0.031 0.000 1.249 146 P CA -0.397 62.662 63.100 -0.068 0.000 0.810 146 P CB 1.142 32.715 31.700 -0.210 0.000 1.008 147 R N 1.936 122.421 120.500 -0.024 0.000 2.538 147 R HA 0.643 4.982 4.340 -0.001 0.000 0.292 147 R C -0.583 175.730 176.300 0.021 0.000 1.008 147 R CA -0.611 55.498 56.100 0.015 0.000 0.896 147 R CB 1.786 32.104 30.300 0.029 0.000 1.187 147 R HN 0.472 nan 8.270 nan 0.000 0.440 148 I N 2.003 122.616 120.570 0.070 0.000 2.465 148 I HA 0.641 4.810 4.170 -0.001 0.000 0.291 148 I C -0.404 175.828 176.117 0.192 0.000 1.014 148 I CA -0.758 60.625 61.300 0.138 0.000 1.093 148 I CB 2.116 40.218 38.000 0.169 0.000 1.267 148 I HN 0.650 nan 8.210 nan 0.000 0.431 149 A N 5.360 128.302 122.820 0.203 0.000 2.423 149 A HA 0.851 5.170 4.320 -0.001 0.000 0.304 149 A C -1.492 176.187 177.584 0.157 0.000 1.104 149 A CA -0.643 51.509 52.037 0.191 0.000 0.757 149 A CB 2.248 21.346 19.000 0.164 0.000 1.313 149 A HN 0.458 nan 8.150 nan 0.000 0.423 150 V N 1.244 121.204 119.914 0.077 0.000 2.680 150 V HA 0.714 4.834 4.120 -0.001 0.000 0.309 150 V C 0.512 176.562 176.094 -0.073 0.000 1.052 150 V CA 0.289 62.505 62.300 -0.141 0.000 0.908 150 V CB 2.093 33.678 31.823 -0.397 0.000 1.001 150 V HN 1.411 nan 8.190 nan 0.000 0.431 151 T N 1.649 116.136 114.554 -0.112 0.000 2.754 151 T HA 0.187 4.537 4.350 -0.001 0.000 0.286 151 T C 0.936 175.621 174.700 -0.025 0.000 0.997 151 T CA 0.019 62.101 62.100 -0.031 0.000 0.982 151 T CB 0.577 69.423 68.868 -0.035 0.000 1.027 151 T HN 0.698 nan 8.240 nan 0.000 0.529 152 D N 0.441 120.856 120.400 0.026 0.000 2.149 152 D HA -0.126 4.514 4.640 -0.001 0.000 0.194 152 D C 1.002 177.303 176.300 0.002 0.000 1.001 152 D CA 1.437 55.452 54.000 0.026 0.000 0.849 152 D CB -0.058 40.767 40.800 0.041 0.000 0.939 152 D HN 0.621 nan 8.370 nan 0.000 0.449 153 D N -0.805 119.590 120.400 -0.009 0.000 2.370 153 D HA 0.184 4.824 4.640 -0.001 0.000 0.230 153 D C 1.146 177.424 176.300 -0.037 0.000 1.143 153 D CA 0.220 54.212 54.000 -0.012 0.000 0.834 153 D CB 0.700 41.501 40.800 0.001 0.000 0.944 153 D HN 0.241 nan 8.370 nan 0.000 0.504 154 G N 1.531 110.273 108.800 -0.097 0.000 2.137 154 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.237 154 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.237 154 G C 0.050 174.809 174.900 -0.236 0.000 1.002 154 G CA -0.172 44.825 45.100 -0.171 0.000 0.702 154 G HN 0.329 nan 8.290 nan 0.000 0.515 155 L N 1.434 122.535 121.223 -0.204 0.000 2.261 155 L HA 0.695 5.035 4.340 -0.001 0.000 0.289 155 L C -0.025 176.727 176.870 -0.196 0.000 1.059 155 L CA -1.572 53.191 54.840 -0.128 0.000 0.816 155 L CB -0.029 41.991 42.059 -0.064 0.000 1.191 155 L HN 0.153 nan 8.230 nan 0.000 0.431 156 Y N 4.268 124.564 120.300 -0.006 0.000 2.359 156 Y HA 0.481 5.031 4.550 -0.000 0.000 0.334 156 Y C 0.471 176.446 175.900 0.124 0.000 1.058 156 Y CA -0.156 57.973 58.100 0.050 0.000 1.244 156 Y CB 1.020 39.480 38.460 0.000 0.000 1.187 156 Y HN 0.381 nan 8.280 nan 0.000 0.510 161 T N 2.752 117.311 114.554 0.008 0.000 2.767 161 T HA 0.383 4.733 4.350 -0.001 0.000 0.284 161 T C -0.762 173.980 174.700 0.070 0.000 0.973 161 T CA -0.694 61.365 62.100 -0.068 0.000 0.996 161 T CB 1.063 69.919 68.868 -0.019 0.000 0.927 161 T HN 0.524 nan 8.240 nan 0.000 0.456 162 Q N 2.162 121.940 119.800 -0.036 0.000 2.256 162 Q HA 0.312 4.651 4.340 -0.001 0.000 0.254 162 Q C -1.062 175.099 176.000 0.269 0.000 0.916 162 Q CA -0.401 55.477 55.803 0.125 0.000 0.932 162 Q CB 1.859 30.601 28.738 0.006 0.000 1.207 162 Q HN 0.677 nan 8.270 nan 0.000 0.426 163 W N 4.325 125.648 121.300 0.037 0.000 2.715 163 W HA 0.241 4.900 4.660 -0.001 0.000 0.331 163 W C -0.713 175.814 176.519 0.012 0.000 1.031 163 W CA -0.769 56.583 57.345 0.012 0.000 1.237 163 W CB 1.276 30.734 29.460 -0.004 0.000 1.378 163 W HN 0.763 nan 8.180 nan 0.000 0.454 164 N N 4.617 123.065 118.700 -0.420 0.000 2.291 164 N HA 0.115 4.854 4.740 -0.001 0.000 0.244 164 N C 0.345 175.397 175.510 -0.763 0.000 1.216 164 N CA -0.445 52.346 53.050 -0.431 0.000 0.879 164 N CB 0.151 38.589 38.487 -0.082 0.000 1.167 164 N HN 0.689 nan 8.380 nan 0.000 0.515 165 R N -1.394 117.973 120.500 -1.889 0.000 3.994 165 R HA -0.246 4.094 4.340 -0.001 0.000 0.403 165 R C -0.327 175.205 176.300 -1.280 0.000 1.126 165 R CA 1.845 56.865 56.100 -1.801 0.000 1.143 165 R CB -1.993 27.700 30.300 -1.011 0.000 1.695 165 R HN 0.522 nan 8.270 nan 0.000 0.555 166 H N -1.916 116.698 119.070 -0.759 0.000 2.143 166 H HA 0.343 4.898 4.556 -0.001 0.000 0.238 166 H C -0.002 175.374 175.328 0.080 0.000 0.914 166 H CA 0.715 56.641 56.048 -0.203 0.000 1.154 166 H CB 0.835 30.517 29.762 -0.133 0.000 1.359 166 H HN -0.055 nan 8.280 nan 0.000 0.493 167 V N 3.494 123.567 119.914 0.265 0.000 2.588 167 V HA 0.366 4.485 4.120 -0.001 0.000 0.304 167 V C -2.581 173.785 176.094 0.453 0.000 1.042 167 V CA -1.882 60.627 62.300 0.347 0.000 0.877 167 V CB 2.333 34.269 31.823 0.189 0.000 0.996 167 V HN 0.148 nan 8.190 nan 0.000 0.425 168 P HA 0.555 nan 4.420 nan 0.000 0.296 168 P C -1.055 176.298 177.300 0.088 0.000 1.306 168 P CA -0.634 62.622 63.100 0.260 0.000 0.818 168 P CB 1.161 32.869 31.700 0.012 0.000 0.969 169 R N 2.067 122.570 120.500 0.005 0.000 2.621 169 R HA 0.474 4.813 4.340 -0.001 0.000 0.292 169 R C -0.653 175.494 176.300 -0.255 0.000 0.969 169 R CA -1.264 54.756 56.100 -0.133 0.000 0.887 169 R CB 1.846 32.029 30.300 -0.195 0.000 1.180 169 R HN 0.365 nan 8.270 nan 0.000 0.450 170 L N 2.739 123.756 121.223 -0.343 0.000 2.361 170 L HA 0.473 4.813 4.340 -0.001 0.000 0.278 170 L C -0.631 175.875 176.870 -0.606 0.000 1.113 170 L CA 0.467 55.019 54.840 -0.479 0.000 0.849 170 L CB 0.782 42.496 42.059 -0.574 0.000 1.155 170 L HN 0.808 nan 8.230 nan 0.000 0.452 171 A N 4.624 127.036 122.820 -0.679 0.000 2.435 171 A HA 0.892 5.211 4.320 -0.001 0.000 0.296 171 A C -1.286 176.003 177.584 -0.492 0.000 1.147 171 A CA -0.628 51.022 52.037 -0.645 0.000 0.775 171 A CB 1.688 20.219 19.000 -0.782 0.000 1.340 171 A HN 0.475 nan 8.150 nan 0.000 0.427 172 V N -0.220 119.589 119.914 -0.175 0.000 2.680 172 V HA 0.816 4.936 4.120 -0.001 0.000 0.309 172 V C 0.115 176.398 176.094 0.315 0.000 1.052 172 V CA -0.104 62.230 62.300 0.057 0.000 0.908 172 V CB 1.451 33.302 31.823 0.046 0.000 1.001 172 V HN 1.514 nan 8.190 nan 0.000 0.431 173 A N 2.459 125.472 122.820 0.323 0.000 2.455 173 A HA 0.890 5.210 4.320 -0.001 0.000 0.300 173 A C -0.286 177.587 177.584 0.481 0.000 1.040 173 A CA -0.408 51.847 52.037 0.364 0.000 0.697 173 A CB 1.943 20.934 19.000 -0.016 0.000 1.265 173 A HN 0.960 nan 8.150 nan 0.000 0.407 174 T N -1.042 113.843 114.554 0.552 0.000 2.912 174 T HA 0.865 5.215 4.350 -0.001 0.000 0.288 174 T C -0.134 174.655 174.700 0.149 0.000 1.030 174 T CA -0.436 61.902 62.100 0.398 0.000 1.020 174 T CB 1.658 70.700 68.868 0.290 0.000 1.056 174 T HN 1.725 nan 8.240 nan 0.000 0.480 175 S N -0.083 115.514 115.700 -0.171 0.000 2.565 175 S HA 0.493 4.962 4.470 -0.001 0.000 0.269 175 S C -0.186 174.276 174.600 -0.229 0.000 1.153 175 S CA -0.891 56.981 58.200 -0.547 0.000 0.835 175 S CB 1.774 63.922 63.200 -1.754 0.000 1.122 175 S HN 0.802 nan 8.310 nan 0.000 0.462 176 R N 0.796 121.177 120.500 -0.198 0.000 2.344 176 R HA 0.199 4.539 4.340 -0.001 0.000 0.209 176 R C 0.447 176.747 176.300 0.001 0.000 0.886 176 R CA 0.480 56.595 56.100 0.025 0.000 1.040 176 R CB 0.096 30.412 30.300 0.028 0.000 1.114 176 R HN 0.735 nan 8.270 nan 0.000 0.547 177 N N 0.137 118.650 118.700 -0.312 0.000 2.170 177 N HA 0.062 4.802 4.740 -0.001 0.000 0.222 177 N C 0.460 175.491 175.510 -0.798 0.000 1.218 177 N CA -0.155 52.605 53.050 -0.484 0.000 0.889 177 N CB 0.238 38.599 38.487 -0.209 0.000 1.083 177 N HN 0.060 nan 8.380 nan 0.000 0.520 178 L N -1.447 119.248 121.223 -0.879 0.000 4.625 178 L HA -0.338 4.001 4.340 -0.001 0.000 0.428 178 L C 1.047 177.770 176.870 -0.244 0.000 1.129 178 L CA 1.275 55.721 54.840 -0.657 0.000 0.978 178 L CB -1.316 40.460 42.059 -0.471 0.000 2.043 178 L HN 0.282 nan 8.230 nan 0.000 0.847 179 K N -0.961 119.156 120.400 -0.473 0.000 2.412 179 K HA 0.164 4.484 4.320 -0.001 0.000 0.201 179 K C 0.095 176.574 176.600 -0.201 0.000 1.275 179 K CA 0.037 56.178 56.287 -0.243 0.000 0.910 179 K CB 0.623 32.923 32.500 -0.334 0.000 1.346 179 K HN 0.113 nan 8.250 nan 0.000 0.490 180 D N 0.859 121.043 120.400 -0.360 0.000 2.456 180 D HA 0.114 4.753 4.640 -0.001 0.000 0.219 180 D C -0.958 175.150 176.300 -0.319 0.000 1.126 180 D CA -0.021 53.848 54.000 -0.219 0.000 0.890 180 D CB 0.137 40.837 40.800 -0.167 0.000 1.025 180 D HN 0.005 nan 8.370 nan 0.000 0.511 181 W N 0.934 122.216 121.300 -0.030 0.000 2.449 181 W HA 0.311 4.970 4.660 -0.001 0.000 0.331 181 W C 0.536 177.060 176.519 0.008 0.000 1.119 181 W CA -0.589 56.754 57.345 -0.003 0.000 1.240 181 W CB 1.251 30.733 29.460 0.037 0.000 1.251 181 W HN -0.059 nan 8.180 nan 0.000 0.576 182 T N 3.256 117.952 114.554 0.236 0.000 2.772 182 T HA 0.291 4.641 4.350 -0.001 0.000 0.288 182 T C -0.360 174.312 174.700 -0.047 0.000 0.994 182 T CA -0.973 61.138 62.100 0.019 0.000 0.951 182 T CB 0.464 69.273 68.868 -0.099 0.000 0.933 182 T HN 0.115 nan 8.240 nan 0.000 0.447 183 K N 2.721 123.103 120.400 -0.030 0.000 2.276 183 K HA 0.234 4.554 4.320 -0.001 0.000 0.285 183 K C 0.555 177.065 176.600 -0.149 0.000 1.062 183 K CA -0.644 55.676 56.287 0.056 0.000 0.918 183 K CB 0.732 33.307 32.500 0.124 0.000 1.055 183 K HN 0.662 nan 8.250 nan 0.000 0.477 184 H N 1.603 120.745 119.070 0.121 0.000 2.652 184 H HA 0.122 4.678 4.556 -0.001 0.000 0.274 184 H C 1.013 176.350 175.328 0.015 0.000 1.021 184 H CA 0.502 56.574 56.048 0.040 0.000 1.187 184 H CB 0.948 30.696 29.762 -0.024 0.000 1.505 184 H HN 1.010 nan 8.280 nan 0.000 0.530 185 G N 1.838 110.708 108.800 0.117 0.000 2.725 185 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.220 185 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.220 185 G C -2.704 172.151 174.900 -0.076 0.000 1.357 185 G CA -1.175 43.949 45.100 0.041 0.000 0.866 185 G HN 0.016 nan 8.290 nan 0.000 0.548 186 P HA 0.338 nan 4.420 nan 0.000 0.264 186 P C 1.007 178.146 177.300 -0.268 0.000 1.183 186 P CA 1.018 63.937 63.100 -0.302 0.000 0.763 186 P CB 0.649 32.094 31.700 -0.426 0.000 0.807 187 A N 3.167 125.701 122.820 -0.476 0.000 1.972 187 A HA -0.147 4.172 4.320 -0.001 0.000 0.219 187 A C 1.021 178.420 177.584 -0.310 0.000 1.169 187 A CA 1.579 53.321 52.037 -0.491 0.000 0.635 187 A CB -1.072 17.313 19.000 -1.025 0.000 0.810 187 A HN 0.514 nan 8.150 nan 0.000 0.446 188 F N -0.710 119.172 119.950 -0.114 0.000 2.730 188 F HA 0.502 5.028 4.527 -0.002 0.000 0.295 188 F C 1.902 177.758 175.800 0.094 0.000 1.143 188 F CA -0.670 57.311 58.000 -0.030 0.000 1.367 188 F CB -0.816 38.097 39.000 -0.145 0.000 0.970 188 F HN 0.211 nan 8.300 nan 0.000 0.514 189 A N 0.069 123.025 122.820 0.227 0.000 1.902 189 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 189 A C 2.317 180.144 177.584 0.405 0.000 1.181 189 A CA 1.703 53.975 52.037 0.391 0.000 0.623 189 A CB -0.291 18.935 19.000 0.377 0.000 0.818 189 A HN 0.217 nan 8.150 nan 0.000 0.443 190 K N -0.981 119.599 120.400 0.300 0.000 2.276 190 K HA 0.497 4.817 4.320 -0.001 0.000 0.198 190 K C 1.073 177.753 176.600 0.133 0.000 1.052 190 K CA 0.259 56.660 56.287 0.191 0.000 0.984 190 K CB -0.843 31.733 32.500 0.127 0.000 0.836 190 K HN 0.757 nan 8.250 nan 0.000 0.490 191 A N 0.979 123.884 122.820 0.142 0.000 2.598 191 A HA 0.274 4.593 4.320 -0.001 0.000 0.239 191 A C 0.099 177.748 177.584 0.108 0.000 1.032 191 A CA 0.265 52.294 52.037 -0.014 0.000 0.760 191 A CB -1.163 17.854 19.000 0.028 0.000 0.946 191 A HN 0.559 nan 8.150 nan 0.000 0.512 192 F N 0.590 120.620 119.950 0.133 0.000 3.027 192 F HA -0.217 4.309 4.527 -0.001 0.000 0.276 192 F C 0.542 176.369 175.800 0.044 0.000 0.967 192 F CA 1.306 59.357 58.000 0.087 0.000 0.929 192 F CB -2.178 36.886 39.000 0.106 0.000 0.873 192 F HN 0.865 nan 8.300 nan 0.000 0.787 193 D N -1.407 119.083 120.400 0.150 0.000 2.837 193 D HA -0.170 4.470 4.640 -0.001 0.000 0.230 193 D C 1.333 177.685 176.300 0.087 0.000 1.152 193 D CA 1.758 55.813 54.000 0.090 0.000 0.736 193 D CB -1.276 39.566 40.800 0.069 0.000 1.084 193 D HN 1.418 nan 8.370 nan 0.000 0.429 194 G N -0.486 108.398 108.800 0.139 0.000 2.143 194 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.248 194 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.248 194 G C 1.011 175.996 174.900 0.142 0.000 0.991 194 G CA 1.244 46.443 45.100 0.166 0.000 0.689 194 G HN 0.554 nan 8.290 nan 0.000 0.522 195 K N -0.624 119.824 120.400 0.080 0.000 2.103 195 K HA 0.081 4.401 4.320 -0.001 0.000 0.207 195 K C 1.683 178.118 176.600 -0.275 0.000 1.048 195 K CA 1.911 58.099 56.287 -0.164 0.000 0.930 195 K CB -0.447 31.843 32.500 -0.349 0.000 0.716 195 K HN 0.664 nan 8.250 nan 0.000 0.444 196 F N -0.738 119.314 119.950 0.170 0.000 2.639 196 F HA 0.357 4.883 4.527 -0.002 0.000 0.300 196 F C 1.172 177.073 175.800 0.168 0.000 1.109 196 F CA -0.954 57.121 58.000 0.125 0.000 1.335 196 F CB -0.328 38.697 39.000 0.042 0.000 1.014 196 F HN 0.101 nan 8.300 nan 0.000 0.537 197 F N 1.502 121.566 119.950 0.190 0.000 2.126 197 F HA -0.226 4.300 4.527 -0.001 0.000 0.299 197 F C 1.831 177.703 175.800 0.120 0.000 1.096 197 F CA 1.744 59.830 58.000 0.143 0.000 1.255 197 F CB -0.068 38.986 39.000 0.091 0.000 0.997 197 F HN -0.084 nan 8.300 nan 0.000 0.479 198 N N 0.909 119.776 118.700 0.278 0.000 2.383 198 N HA 0.031 4.771 4.740 -0.001 0.000 0.192 198 N C -0.096 175.495 175.510 0.135 0.000 1.141 198 N CA -0.011 53.148 53.050 0.181 0.000 0.851 198 N CB -0.227 38.373 38.487 0.188 0.000 0.976 198 N HN 0.188 nan 8.380 nan 0.000 0.465 199 L N 1.395 122.714 121.223 0.160 0.000 2.477 199 L HA 0.265 4.604 4.340 -0.001 0.000 0.272 199 L C 0.746 177.687 176.870 0.118 0.000 1.157 199 L CA -0.208 54.739 54.840 0.178 0.000 0.889 199 L CB 0.224 42.437 42.059 0.257 0.000 1.158 199 L HN 0.047 nan 8.230 nan 0.000 0.473 200 G N 5.438 114.317 108.800 0.133 0.000 2.356 200 G HA2 0.451 4.411 3.960 -0.001 0.000 0.273 200 G HA3 0.451 4.411 3.960 -0.001 0.000 0.273 200 G C -0.403 174.581 174.900 0.140 0.000 1.213 200 G CA 0.251 45.427 45.100 0.127 0.000 0.955 200 G HN 1.108 nan 8.290 nan 0.000 0.454 201 C N 1.837 121.197 119.300 0.101 0.000 3.311 201 C HA 1.016 5.476 4.460 -0.001 0.000 0.325 201 C C -0.652 174.376 174.990 0.064 0.000 1.352 201 C CA -1.400 57.709 59.018 0.152 0.000 1.308 201 C CB 1.535 29.343 27.740 0.114 0.000 1.619 201 C HN 1.122 nan 8.230 nan 0.000 0.469 202 K N -0.334 120.150 120.400 0.140 0.000 2.672 202 K HA 0.706 5.026 4.320 -0.001 0.000 0.295 202 K C -0.824 175.865 176.600 0.148 0.000 1.042 202 K CA -0.163 56.160 56.287 0.060 0.000 0.869 202 K CB 0.840 33.355 32.500 0.026 0.000 1.541 202 K HN 1.793 nan 8.250 nan 0.000 0.396 203 S N -0.970 114.782 115.700 0.087 0.000 3.551 203 S HA -0.039 4.431 4.470 -0.001 0.000 0.547 203 S C -0.130 174.552 174.600 0.137 0.000 0.699 203 S CA 0.387 58.662 58.200 0.126 0.000 1.399 203 S CB -1.272 62.038 63.200 0.184 0.000 0.922 203 S HN 1.032 nan 8.310 nan 0.000 0.818 204 G N 1.444 110.263 108.800 0.032 0.000 2.437 204 G HA2 0.555 4.515 3.960 -0.001 0.000 0.315 204 G HA3 0.555 4.515 3.960 -0.001 0.000 0.315 204 G C -0.345 174.553 174.900 -0.005 0.000 1.210 204 G CA -0.556 44.535 45.100 -0.015 0.000 0.943 204 G HN 0.509 nan 8.290 nan 0.000 0.471 205 S N 2.764 118.510 115.700 0.076 0.000 2.488 205 S HA 0.325 4.795 4.470 -0.001 0.000 0.310 205 S C 0.635 175.327 174.600 0.154 0.000 1.093 205 S CA -0.386 57.889 58.200 0.125 0.000 1.129 205 S CB 0.273 63.584 63.200 0.185 0.000 0.989 205 S HN 0.513 nan 8.310 nan 0.000 0.479 206 I N 2.671 123.297 120.570 0.094 0.000 2.754 206 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 206 I C 0.294 176.576 176.117 0.276 0.000 1.166 206 I CA -0.524 60.865 61.300 0.150 0.000 1.417 206 I CB 0.420 38.513 38.000 0.155 0.000 1.382 206 I HN 0.372 nan 8.210 nan 0.000 0.588 207 L N 6.691 128.130 121.223 0.361 0.000 2.410 207 L HA 0.278 4.617 4.340 -0.001 0.000 0.273 207 L C 0.320 177.378 176.870 0.313 0.000 1.152 207 L CA 0.680 55.752 54.840 0.387 0.000 0.855 207 L CB 0.623 42.938 42.059 0.428 0.000 1.129 207 L HN 0.818 nan 8.230 nan 0.000 0.463 208 T N 1.469 116.200 114.554 0.294 0.000 2.865 208 T HA 0.709 5.059 4.350 -0.001 0.000 0.294 208 T C -0.823 174.043 174.700 0.276 0.000 1.119 208 T CA -0.867 61.390 62.100 0.261 0.000 1.007 208 T CB 1.806 70.829 68.868 0.258 0.000 1.225 208 T HN 0.725 nan 8.240 nan 0.000 0.515 209 E N 0.226 120.573 120.200 0.245 0.000 2.366 209 E HA 0.536 4.886 4.350 -0.001 0.000 0.278 209 E C -1.639 175.106 176.600 0.241 0.000 0.923 209 E CA -0.978 55.580 56.400 0.263 0.000 0.761 209 E CB 2.542 32.350 29.700 0.181 0.000 1.231 209 E HN 0.563 nan 8.360 nan 0.000 0.443 210 V N 3.561 123.630 119.914 0.259 0.000 2.389 210 V HA 0.254 4.374 4.120 -0.001 0.000 0.264 210 V C -0.397 175.791 176.094 0.158 0.000 1.049 210 V CA -0.334 62.089 62.300 0.206 0.000 0.932 210 V CB 0.931 32.849 31.823 0.159 0.000 1.011 210 V HN 0.403 nan 8.190 nan 0.000 0.475 211 V N 5.585 125.582 119.914 0.137 0.000 2.443 211 V HA 0.439 4.559 4.120 -0.001 0.000 0.293 211 V C 0.235 176.389 176.094 0.100 0.000 1.021 211 V CA -1.147 61.217 62.300 0.107 0.000 0.848 211 V CB 1.349 33.224 31.823 0.087 0.000 0.998 211 V HN 0.950 nan 8.190 nan 0.000 0.424 212 K N 3.739 124.194 120.400 0.091 0.000 3.150 212 K HA -0.223 4.097 4.320 -0.001 0.000 0.267 212 K C 1.080 177.742 176.600 0.102 0.000 1.028 212 K CA 0.608 56.944 56.287 0.082 0.000 0.753 212 K CB -1.446 31.091 32.500 0.062 0.000 1.288 212 K HN 1.612 nan 8.250 nan 0.000 0.473 213 G N -0.353 108.535 108.800 0.146 0.000 2.168 213 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.263 213 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.263 213 G C -0.207 174.836 174.900 0.238 0.000 0.977 213 G CA 0.789 46.022 45.100 0.221 0.000 0.659 213 G HN 0.209 nan 8.290 nan 0.000 0.533 214 K N 0.264 120.774 120.400 0.185 0.000 2.376 214 K HA 0.399 4.718 4.320 -0.001 0.000 0.257 214 K C -0.169 176.545 176.600 0.190 0.000 0.939 214 K CA -0.693 55.701 56.287 0.179 0.000 0.809 214 K CB 1.853 34.429 32.500 0.128 0.000 1.121 214 K HN 0.396 nan 8.250 nan 0.000 0.425 215 Q N 2.799 122.735 119.800 0.226 0.000 2.323 215 Q HA 0.299 4.639 4.340 -0.001 0.000 0.257 215 Q C -0.402 175.721 176.000 0.206 0.000 1.022 215 Q CA -0.451 55.504 55.803 0.254 0.000 0.919 215 Q CB 0.585 29.529 28.738 0.343 0.000 1.220 215 Q HN 0.467 nan 8.270 nan 0.000 0.427 216 V N 1.554 121.577 119.914 0.180 0.000 3.001 216 V HA 0.562 4.682 4.120 -0.001 0.000 0.314 216 V C -0.048 176.142 176.094 0.161 0.000 1.099 216 V CA -1.207 61.178 62.300 0.141 0.000 0.989 216 V CB 1.536 33.421 31.823 0.104 0.000 1.040 216 V HN 0.715 nan 8.190 nan 0.000 0.434 217 I N 2.647 123.309 120.570 0.153 0.000 2.668 217 I HA 0.189 4.359 4.170 -0.001 0.000 0.285 217 I C 0.492 176.740 176.117 0.219 0.000 1.168 217 I CA 0.545 61.967 61.300 0.203 0.000 1.424 217 I CB 0.343 38.452 38.000 0.181 0.000 1.377 217 I HN 0.746 nan 8.210 nan 0.000 0.560 218 K N 7.506 128.035 120.400 0.216 0.000 2.207 218 K HA 0.451 4.770 4.320 -0.001 0.000 0.255 218 K C -0.838 175.832 176.600 0.117 0.000 0.941 218 K CA -0.826 55.532 56.287 0.119 0.000 0.825 218 K CB 1.299 33.816 32.500 0.028 0.000 1.119 218 K HN 0.441 nan 8.250 nan 0.000 0.430 219 K N 1.820 122.208 120.400 -0.020 0.000 2.118 219 K HA 0.376 4.695 4.320 -0.001 0.000 0.267 219 K C -1.149 175.388 176.600 -0.104 0.000 0.991 219 K CA -0.796 55.421 56.287 -0.116 0.000 0.916 219 K CB 1.990 34.314 32.500 -0.293 0.000 1.041 219 K HN 0.310 nan 8.250 nan 0.000 0.455 220 V N 3.591 123.464 119.914 -0.068 0.000 2.686 220 V HA 0.219 4.338 4.120 -0.001 0.000 0.306 220 V C -1.013 175.051 176.094 -0.049 0.000 1.065 220 V CA -0.532 61.723 62.300 -0.074 0.000 0.894 220 V CB 1.391 33.162 31.823 -0.087 0.000 1.004 220 V HN 0.927 nan 8.190 nan 0.000 0.424 221 N N 4.523 123.194 118.700 -0.049 0.000 2.725 221 N HA -0.191 4.549 4.740 -0.001 0.000 0.249 221 N C 1.052 176.536 175.510 -0.042 0.000 1.103 221 N CA 1.977 55.009 53.050 -0.031 0.000 0.707 221 N CB -1.412 37.072 38.487 -0.006 0.000 1.043 221 N HN 1.948 nan 8.380 nan 0.000 0.553 222 G N -1.681 107.072 108.800 -0.079 0.000 2.199 222 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.254 222 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.254 222 G C 0.061 174.862 174.900 -0.165 0.000 0.982 222 G CA 0.974 46.008 45.100 -0.110 0.000 0.632 222 G HN 0.561 nan 8.290 nan 0.000 0.529 223 K N -0.804 119.511 120.400 -0.140 0.000 2.400 223 K HA 0.632 4.951 4.320 -0.001 0.000 0.246 223 K C -0.642 175.865 176.600 -0.155 0.000 0.995 223 K CA -1.065 55.120 56.287 -0.169 0.000 0.840 223 K CB 1.352 33.831 32.500 -0.035 0.000 1.293 223 K HN 0.057 nan 8.250 nan 0.000 0.445 224 Y N 0.513 120.799 120.300 -0.024 0.000 2.326 224 Y HA 0.238 4.787 4.550 -0.001 0.000 0.333 224 Y C 0.109 176.154 175.900 0.242 0.000 1.240 224 Y CA 0.101 58.234 58.100 0.056 0.000 1.365 224 Y CB 0.408 38.811 38.460 -0.095 0.000 1.289 224 Y HN 0.428 nan 8.280 nan 0.000 0.548 228 W N 1.063 122.420 121.300 0.094 0.000 3.074 228 W HA 0.832 5.491 4.660 -0.001 0.000 0.332 228 W C -0.358 176.268 176.519 0.178 0.000 1.253 228 W CA -1.145 56.248 57.345 0.081 0.000 1.180 228 W CB 1.445 30.924 29.460 0.032 0.000 1.445 228 W HN 1.292 nan 8.180 nan 0.000 0.573 229 G N 0.351 109.380 108.800 0.381 0.000 2.362 229 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.656 229 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.656 229 G C -0.707 174.271 174.900 0.130 0.000 1.376 229 G CA 0.028 45.280 45.100 0.253 0.000 0.971 229 G HN 0.926 nan 8.290 nan 0.000 0.636 230 E N -0.756 119.519 120.200 0.125 0.000 2.279 230 E HA 0.152 4.501 4.350 -0.001 0.000 0.199 230 E C 1.814 178.370 176.600 -0.074 0.000 0.893 230 E CA 0.579 57.022 56.400 0.071 0.000 0.978 230 E CB 0.321 30.085 29.700 0.107 0.000 0.964 230 E HN 0.584 nan 8.360 nan 0.000 0.486 231 E N -0.503 119.626 120.200 -0.119 0.000 2.285 231 E HA 0.001 4.351 4.350 -0.001 0.000 0.194 231 E C 0.056 176.155 176.600 -0.836 0.000 0.997 231 E CA 0.619 56.785 56.400 -0.390 0.000 0.845 231 E CB 0.274 29.818 29.700 -0.261 0.000 0.782 231 E HN 0.273 nan 8.360 nan 0.000 0.491 232 H N -1.247 117.550 119.070 -0.454 0.000 3.037 232 H HA 0.246 4.802 4.556 -0.001 0.000 0.355 232 H C -1.025 173.641 175.328 -1.103 0.000 1.263 232 H CA -0.770 54.756 56.048 -0.870 0.000 1.129 232 H CB 1.599 30.652 29.762 -1.181 0.000 1.861 232 H HN -0.204 nan 8.280 nan 0.000 0.546 233 V N 3.380 122.676 119.914 -1.029 0.000 2.368 233 V HA 0.171 4.290 4.120 -0.001 0.000 0.266 233 V C -0.235 175.344 176.094 -0.858 0.000 1.045 233 V CA 0.036 61.809 62.300 -0.877 0.000 0.899 233 V CB -0.712 30.523 31.823 -0.979 0.000 1.006 233 V HN 0.382 nan 8.190 nan 0.000 0.470 234 F N 2.476 122.008 119.950 -0.697 0.000 2.544 234 F HA 0.913 5.439 4.527 -0.001 0.000 0.378 234 F C 0.578 176.011 175.800 -0.612 0.000 1.112 234 F CA -0.538 56.973 58.000 -0.815 0.000 1.115 234 F CB 1.213 39.234 39.000 -1.632 0.000 1.436 234 F HN 0.526 nan 8.300 nan 0.000 0.496 235 A N -0.276 122.441 122.820 -0.172 0.000 2.593 235 A HA 0.960 5.280 4.320 -0.001 0.000 0.290 235 A C -1.740 175.919 177.584 0.125 0.000 1.126 235 A CA -0.275 51.682 52.037 -0.132 0.000 0.695 235 A CB 1.393 20.277 19.000 -0.192 0.000 1.290 235 A HN 1.333 nan 8.150 nan 0.000 0.414 236 A N -0.322 122.430 122.820 -0.114 0.000 2.612 236 A HA 0.921 5.241 4.320 -0.001 0.000 0.293 236 A C -0.357 177.303 177.584 0.126 0.000 1.075 236 A CA 0.193 52.308 52.037 0.131 0.000 0.680 236 A CB 1.042 20.262 19.000 0.366 0.000 1.279 236 A HN 2.300 nan 8.150 nan 0.000 0.411 237 T N -1.694 113.041 114.554 0.303 0.000 2.907 237 T HA 0.886 5.235 4.350 -0.001 0.000 0.290 237 T C -0.255 174.434 174.700 -0.020 0.000 1.066 237 T CA -0.273 61.964 62.100 0.229 0.000 1.012 237 T CB 1.702 70.662 68.868 0.153 0.000 1.184 237 T HN 1.938 nan 8.240 nan 0.000 0.522 238 S N -0.973 114.527 115.700 -0.334 0.000 2.547 238 S HA 0.411 4.880 4.470 -0.001 0.000 0.270 238 S C -0.737 173.731 174.600 -0.220 0.000 1.150 238 S CA -0.643 57.216 58.200 -0.569 0.000 0.850 238 S CB 1.773 64.004 63.200 -1.614 0.000 1.118 238 S HN 0.755 nan 8.310 nan 0.000 0.461 239 D N 1.170 121.479 120.400 -0.152 0.000 2.355 239 D HA 0.102 4.741 4.640 -0.001 0.000 0.206 239 D C 0.352 176.708 176.300 0.092 0.000 1.010 239 D CA 0.670 54.653 54.000 -0.027 0.000 0.875 239 D CB 0.281 41.047 40.800 -0.056 0.000 0.966 239 D HN 0.744 nan 8.370 nan 0.000 0.512 240 D N -0.675 119.698 120.400 -0.044 0.000 2.539 240 D HA 0.069 4.708 4.640 -0.001 0.000 0.232 240 D C 1.314 177.421 176.300 -0.321 0.000 1.256 240 D CA -0.220 53.729 54.000 -0.085 0.000 0.810 240 D CB -0.049 40.724 40.800 -0.045 0.000 1.090 240 D HN 0.009 nan 8.370 nan 0.000 0.519 241 L N -0.658 120.229 121.223 -0.560 0.000 5.188 241 L HA -0.279 4.060 4.340 -0.001 0.000 0.431 241 L C 0.777 177.489 176.870 -0.264 0.000 1.017 241 L CA 0.802 55.319 54.840 -0.538 0.000 1.195 241 L CB -1.179 40.590 42.059 -0.484 0.000 1.860 241 L HN 0.179 nan 8.230 nan 0.000 0.691 242 I N -1.113 119.229 120.570 -0.379 0.000 2.900 242 I HA 0.065 4.235 4.170 -0.001 0.000 0.251 242 I C 1.113 177.010 176.117 -0.367 0.000 1.102 242 I CA 0.986 62.058 61.300 -0.381 0.000 1.457 242 I CB -0.571 37.066 38.000 -0.605 0.000 1.285 242 I HN 0.164 nan 8.210 nan 0.000 0.459 243 H N -0.329 118.614 119.070 -0.212 0.000 2.640 243 H HA 0.252 4.809 4.556 0.001 0.000 0.297 243 H C -1.151 174.039 175.328 -0.231 0.000 1.073 243 H CA -0.270 55.708 56.048 -0.116 0.000 1.305 243 H CB 0.123 29.832 29.762 -0.089 0.000 1.404 243 H HN 0.041 nan 8.280 nan 0.000 0.459 244 W N 1.959 123.277 121.300 0.030 0.000 2.512 244 W HA 0.439 5.100 4.660 0.002 0.000 0.335 244 W C -0.246 176.368 176.519 0.158 0.000 1.088 244 W CA -0.611 56.773 57.345 0.064 0.000 1.236 244 W CB 1.566 31.015 29.460 -0.018 0.000 1.307 244 W HN 0.328 nan 8.180 nan 0.000 0.567 245 T N 4.168 118.896 114.554 0.289 0.000 2.833 245 T HA 0.327 4.676 4.350 -0.001 0.000 0.297 245 T C -2.550 172.204 174.700 0.091 0.000 1.015 245 T CA -1.611 60.531 62.100 0.070 0.000 0.963 245 T CB 1.153 69.949 68.868 -0.120 0.000 0.955 245 T HN -0.097 nan 8.240 nan 0.000 0.449 246 P HA 0.231 nan 4.420 nan 0.000 0.269 246 P C -0.213 177.137 177.300 0.083 0.000 1.209 246 P CA -0.450 62.557 63.100 -0.155 0.000 0.776 246 P CB 0.479 31.765 31.700 -0.691 0.000 0.876 247 I N 2.381 123.015 120.570 0.107 0.000 2.471 247 I HA 0.143 4.312 4.170 -0.001 0.000 0.286 247 I C 0.692 176.869 176.117 0.100 0.000 1.079 247 I CA -0.162 61.219 61.300 0.135 0.000 1.398 247 I CB 0.388 38.471 38.000 0.139 0.000 1.403 247 I HN 0.138 nan 8.210 nan 0.000 0.530 248 V N 3.819 123.803 119.914 0.116 0.000 3.046 248 V HA 0.587 4.706 4.120 -0.001 0.000 0.316 248 V C -0.117 176.006 176.094 0.049 0.000 1.104 248 V CA -1.058 61.277 62.300 0.058 0.000 1.006 248 V CB 1.799 33.624 31.823 0.003 0.000 1.058 248 V HN 0.594 nan 8.190 nan 0.000 0.440 249 N N 0.511 119.226 118.700 0.026 0.000 2.327 249 N HA 0.441 5.181 4.740 -0.001 0.000 0.257 249 N C 1.340 176.853 175.510 0.005 0.000 1.281 249 N CA -0.205 52.857 53.050 0.020 0.000 0.942 249 N CB 0.969 39.463 38.487 0.013 0.000 1.199 249 N HN 0.784 nan 8.380 nan 0.000 0.532 250 I N 0.185 120.759 120.570 0.007 0.000 2.194 250 I HA -0.293 3.877 4.170 -0.001 0.000 0.246 250 I C 1.289 177.396 176.117 -0.017 0.000 1.093 250 I CA 1.454 62.755 61.300 0.001 0.000 1.355 250 I CB -0.360 37.643 38.000 0.005 0.000 1.046 250 I HN 0.536 nan 8.210 nan 0.000 0.413 251 D N 0.354 120.742 120.400 -0.020 0.000 2.328 251 D HA 0.075 4.714 4.640 -0.001 0.000 0.226 251 D C 1.502 177.768 176.300 -0.057 0.000 1.066 251 D CA 0.678 54.658 54.000 -0.033 0.000 0.861 251 D CB 0.027 40.814 40.800 -0.022 0.000 0.912 251 D HN 0.398 nan 8.370 nan 0.000 0.521 252 G N 0.187 108.943 108.800 -0.073 0.000 2.176 252 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.253 252 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.253 252 G C 0.457 175.342 174.900 -0.025 0.000 0.979 252 G CA 0.426 45.453 45.100 -0.122 0.000 0.641 252 G HN 0.813 nan 8.290 nan 0.000 0.530 253 S N 0.055 115.757 115.700 0.004 0.000 2.593 253 S HA 0.640 5.109 4.470 -0.001 0.000 0.269 253 S C 0.586 175.216 174.600 0.049 0.000 1.334 253 S CA -0.660 57.568 58.200 0.047 0.000 1.015 253 S CB 1.384 64.600 63.200 0.025 0.000 0.912 253 S HN 0.669 nan 8.310 nan 0.000 0.541 254 L N 1.539 122.784 121.223 0.036 0.000 2.410 254 L HA 0.253 4.593 4.340 -0.001 0.000 0.273 254 L C 0.838 177.768 176.870 0.100 0.000 1.152 254 L CA -0.185 54.634 54.840 -0.035 0.000 0.855 254 L CB 0.327 42.185 42.059 -0.335 0.000 1.129 254 L HN 0.726 nan 8.230 nan 0.000 0.463 255 K N 4.554 125.018 120.400 0.107 0.000 2.349 255 K HA 0.134 4.453 4.320 -0.001 0.000 0.289 255 K C -0.505 176.146 176.600 0.086 0.000 1.064 255 K CA -0.398 55.943 56.287 0.089 0.000 0.947 255 K CB 0.398 32.946 32.500 0.079 0.000 1.007 255 K HN 0.398 nan 8.250 nan 0.000 0.478 256 K N 4.920 125.285 120.400 -0.057 0.000 2.316 256 K HA 0.061 4.380 4.320 -0.001 0.000 0.289 256 K C 0.644 177.134 176.600 -0.183 0.000 1.070 256 K CA -0.554 55.551 56.287 -0.303 0.000 0.928 256 K CB 0.811 33.056 32.500 -0.425 0.000 1.039 256 K HN 0.422 nan 8.250 nan 0.000 0.480 257 L N 3.442 124.563 121.223 -0.170 0.000 2.044 257 L HA 0.055 4.395 4.340 -0.001 0.000 0.205 257 L C 0.577 177.476 176.870 0.049 0.000 1.075 257 L CA 1.395 56.283 54.840 0.080 0.000 0.747 257 L CB -0.620 41.623 42.059 0.308 0.000 0.903 257 L HN 0.657 nan 8.230 nan 0.000 0.435 258 F N -4.401 115.396 119.950 -0.256 0.000 2.711 258 F HA 0.728 5.255 4.527 -0.001 0.000 0.313 258 F C -0.486 175.117 175.800 -0.328 0.000 1.141 258 F CA -1.134 56.610 58.000 -0.426 0.000 0.941 258 F CB 0.895 39.439 39.000 -0.760 0.000 1.349 258 F HN -0.342 nan 8.300 nan 0.000 0.464 259 S N 0.324 115.944 115.700 -0.134 0.000 2.661 259 S HA 0.714 5.183 4.470 -0.001 0.000 0.285 259 S C -3.010 171.538 174.600 -0.087 0.000 1.138 259 S CA -1.405 56.710 58.200 -0.142 0.000 0.855 259 S CB 2.290 65.516 63.200 0.042 0.000 1.136 259 S HN 0.506 nan 8.310 nan 0.000 0.484 260 P HA 0.213 nan 4.420 nan 0.000 0.267 260 P C -0.876 176.391 177.300 -0.054 0.000 1.200 260 P CA -0.037 63.006 63.100 -0.096 0.000 0.772 260 P CB 0.238 31.867 31.700 -0.120 0.000 0.855 261 R N 0.321 120.800 120.500 -0.034 0.000 2.686 261 R HA 0.536 4.876 4.340 -0.001 0.000 0.283 261 R C -1.093 175.262 176.300 0.092 0.000 0.978 261 R CA -1.028 55.072 56.100 -0.000 0.000 0.897 261 R CB 0.998 31.256 30.300 -0.070 0.000 1.192 261 R HN 0.183 nan 8.270 nan 0.000 0.457 262 D N 1.324 121.775 120.400 0.085 0.000 2.443 262 D HA 0.194 4.833 4.640 -0.001 0.000 0.239 262 D C 1.295 177.699 176.300 0.174 0.000 1.136 262 D CA 1.764 55.812 54.000 0.080 0.000 0.879 262 D CB 0.883 41.701 40.800 0.031 0.000 1.195 262 D HN 0.857 nan 8.370 nan 0.000 0.443 263 G N 0.596 109.444 108.800 0.080 0.000 2.162 263 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.260 263 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.260 263 G C -0.199 174.596 174.900 -0.176 0.000 0.976 263 G CA 0.387 45.462 45.100 -0.042 0.000 0.655 263 G HN 0.441 nan 8.290 nan 0.000 0.533 264 Y N -1.308 119.037 120.300 0.074 0.000 2.633 264 Y HA 0.525 5.075 4.550 -0.000 0.000 0.339 264 Y C 1.347 177.305 175.900 0.096 0.000 1.045 264 Y CA -0.875 57.293 58.100 0.114 0.000 1.098 264 Y CB 0.398 38.874 38.460 0.028 0.000 1.296 264 Y HN 0.095 nan 8.280 nan 0.000 0.494 265 F N -0.455 119.619 119.950 0.206 0.000 2.269 265 F HA -0.069 4.458 4.527 -0.001 0.000 0.301 265 F C 0.628 176.468 175.800 0.066 0.000 1.082 265 F CA 0.702 58.710 58.000 0.014 0.000 1.360 265 F CB -0.392 38.400 39.000 -0.347 0.000 1.041 265 F HN 0.344 nan 8.300 nan 0.000 0.512 266 D N 0.828 120.770 120.400 -0.764 0.000 2.781 266 D HA 0.117 4.756 4.640 -0.001 0.000 0.254 266 D C 0.716 176.932 176.300 -0.140 0.000 1.213 266 D CA 0.151 53.878 54.000 -0.455 0.000 0.994 266 D CB 0.016 40.489 40.800 -0.544 0.000 1.019 266 D HN 0.406 nan 8.370 nan 0.000 0.514 267 S N -0.600 115.100 115.700 -0.000 0.000 2.505 267 S HA -0.026 4.444 4.470 -0.001 0.000 0.216 267 S C 1.338 176.040 174.600 0.169 0.000 1.018 267 S CA 0.055 58.304 58.200 0.082 0.000 0.911 267 S CB -0.091 63.188 63.200 0.131 0.000 0.818 267 S HN 0.431 nan 8.310 nan 0.000 0.497 268 H N 0.789 119.895 119.070 0.060 0.000 2.501 268 H HA 0.569 5.125 4.556 -0.001 0.000 0.281 268 H C 0.007 175.322 175.328 -0.022 0.000 0.988 268 H CA 0.286 56.384 56.048 0.083 0.000 1.232 268 H CB 0.314 30.089 29.762 0.021 0.000 1.455 268 H HN 0.241 nan 8.280 nan 0.000 0.501 269 L N 0.679 121.846 121.223 -0.093 0.000 2.409 269 L HA 0.396 4.736 4.340 -0.001 0.000 0.262 269 L C -0.825 176.037 176.870 -0.012 0.000 0.992 269 L CA -0.680 54.081 54.840 -0.131 0.000 0.817 269 L CB 2.572 44.616 42.059 -0.025 0.000 1.350 269 L HN 0.180 nan 8.230 nan 0.000 0.411 270 T N -2.148 112.357 114.554 -0.081 0.000 3.150 270 T HA 0.373 4.723 4.350 -0.001 0.000 0.383 270 T C -0.606 174.073 174.700 -0.036 0.000 1.313 270 T CA -0.647 61.439 62.100 -0.023 0.000 1.235 270 T CB 0.901 69.575 68.868 -0.324 0.000 1.088 270 T HN 0.595 nan 8.240 nan 0.000 0.556 271 E N 2.017 122.332 120.200 0.193 0.000 2.156 271 E HA 0.428 4.777 4.350 -0.001 0.000 0.279 271 E C -0.328 176.366 176.600 0.155 0.000 0.965 271 E CA -0.877 55.623 56.400 0.166 0.000 0.789 271 E CB 0.782 30.658 29.700 0.293 0.000 1.098 271 E HN 0.721 nan 8.360 nan 0.000 0.397 272 C N 4.354 123.715 119.300 0.102 0.000 2.538 272 C HA 0.189 4.649 4.460 -0.001 0.000 0.408 272 C C 1.305 176.312 174.990 0.029 0.000 1.421 272 C CA 0.118 59.198 59.018 0.104 0.000 1.642 272 C CB -0.458 27.352 27.740 0.117 0.000 2.553 272 C HN 0.911 nan 8.230 nan 0.000 0.604 273 G N 4.905 113.711 108.800 0.009 0.000 3.329 273 G HA2 0.519 4.478 3.960 -0.001 0.000 0.180 273 G HA3 0.519 4.478 3.960 -0.001 0.000 0.180 273 G C -2.380 172.498 174.900 -0.036 0.000 1.640 273 G CA -0.162 44.864 45.100 -0.123 0.000 1.018 273 G HN 0.553 nan 8.290 nan 0.000 0.581 274 P HA 0.290 nan 4.420 nan 0.000 0.277 274 P C -2.685 174.655 177.300 0.067 0.000 1.276 274 P CA -1.262 61.856 63.100 0.030 0.000 0.788 274 P CB -0.099 31.617 31.700 0.027 0.000 1.114 275 P HA 0.019 nan 4.420 nan 0.000 0.265 275 P C -0.275 177.113 177.300 0.147 0.000 1.187 275 P CA 0.649 63.837 63.100 0.147 0.000 0.766 275 P CB -0.062 31.742 31.700 0.173 0.000 0.820 276 A N 3.262 126.216 122.820 0.222 0.000 2.407 276 A HA 0.420 4.739 4.320 -0.001 0.000 0.248 276 A C -0.209 177.518 177.584 0.238 0.000 1.082 276 A CA 0.091 52.267 52.037 0.232 0.000 0.785 276 A CB -0.441 18.803 19.000 0.408 0.000 1.020 276 A HN 0.407 nan 8.150 nan 0.000 0.489 277 I N 1.420 122.110 120.570 0.200 0.000 2.410 277 I HA 0.194 4.364 4.170 -0.001 0.000 0.286 277 I C -0.499 175.802 176.117 0.306 0.000 1.009 277 I CA -0.268 61.180 61.300 0.246 0.000 1.111 277 I CB 1.351 39.447 38.000 0.159 0.000 1.262 277 I HN 0.577 nan 8.210 nan 0.000 0.443 278 Y N 6.902 127.320 120.300 0.197 0.000 2.436 278 Y HA 0.512 5.061 4.550 -0.000 0.000 0.336 278 Y C 0.572 176.566 175.900 0.155 0.000 1.049 278 Y CA -0.064 58.131 58.100 0.158 0.000 1.294 278 Y CB 0.477 39.015 38.460 0.131 0.000 1.179 278 Y HN 0.775 nan 8.280 nan 0.000 0.520 279 T N 3.109 117.593 114.554 -0.116 0.000 2.888 279 T HA 0.454 4.803 4.350 -0.001 0.000 0.288 279 T C -2.150 172.408 174.700 -0.236 0.000 1.063 279 T CA -2.162 59.907 62.100 -0.051 0.000 1.010 279 T CB 1.795 70.666 68.868 0.006 0.000 1.214 279 T HN 0.286 nan 8.240 nan 0.000 0.533 280 P HA 0.021 nan 4.420 nan 0.000 0.216 280 P C 0.831 178.055 177.300 -0.127 0.000 1.150 280 P CA 1.073 64.118 63.100 -0.092 0.000 0.837 280 P CB -0.008 31.678 31.700 -0.023 0.000 0.786 281 K N -1.435 118.901 120.400 -0.106 0.000 2.459 281 K HA 0.345 4.664 4.320 -0.001 0.000 0.193 281 K C 1.055 177.555 176.600 -0.166 0.000 1.030 281 K CA 0.441 56.670 56.287 -0.097 0.000 1.026 281 K CB -0.110 32.380 32.500 -0.016 0.000 0.809 281 K HN 0.205 nan 8.250 nan 0.000 0.504 282 G N 0.008 108.674 108.800 -0.225 0.000 2.359 282 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.303 282 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.303 282 G C -1.499 173.284 174.900 -0.195 0.000 1.293 282 G CA -1.177 43.772 45.100 -0.251 0.000 0.964 282 G HN 0.001 nan 8.290 nan 0.000 0.531 283 I N 0.684 121.207 120.570 -0.079 0.000 2.325 283 I HA 0.410 4.579 4.170 -0.001 0.000 0.291 283 I C 0.243 176.445 176.117 0.142 0.000 1.019 283 I CA -0.777 60.579 61.300 0.093 0.000 1.302 283 I CB 1.416 39.552 38.000 0.227 0.000 1.401 283 I HN 0.260 nan 8.210 nan 0.000 0.485 284 V N 7.575 127.597 119.914 0.180 0.000 2.370 284 V HA 0.294 4.414 4.120 -0.001 0.000 0.279 284 V C -0.227 175.966 176.094 0.164 0.000 1.029 284 V CA -0.640 61.786 62.300 0.209 0.000 0.870 284 V CB 1.698 33.743 31.823 0.371 0.000 0.984 284 V HN 0.410 nan 8.190 nan 0.000 0.451 285 L N 7.017 128.339 121.223 0.164 0.000 2.280 285 L HA 0.617 4.956 4.340 -0.001 0.000 0.287 285 L C -0.729 176.286 176.870 0.242 0.000 1.023 285 L CA -0.046 54.863 54.840 0.115 0.000 0.819 285 L CB 1.148 43.208 42.059 0.002 0.000 1.212 285 L HN 0.482 nan 8.230 nan 0.000 0.420 286 L N 7.256 128.561 121.223 0.136 0.000 2.276 286 L HA 0.500 4.839 4.340 -0.001 0.000 0.286 286 L C -0.392 176.606 176.870 0.213 0.000 1.061 286 L CA 0.004 54.922 54.840 0.130 0.000 0.807 286 L CB 0.641 42.664 42.059 -0.061 0.000 1.177 286 L HN 0.657 nan 8.230 nan 0.000 0.429 287 Y N 0.669 121.048 120.300 0.132 0.000 2.669 287 Y HA 0.657 5.206 4.550 -0.001 0.000 0.335 287 Y C -0.879 175.070 175.900 0.082 0.000 1.116 287 Y CA -1.441 56.711 58.100 0.086 0.000 1.081 287 Y CB 1.388 39.952 38.460 0.172 0.000 1.297 287 Y HN 0.415 nan 8.280 nan 0.000 0.484 288 N N 0.428 119.211 118.700 0.138 0.000 2.392 288 N HA 0.468 5.207 4.740 -0.001 0.000 0.283 288 N C -0.950 174.804 175.510 0.407 0.000 1.003 288 N CA -0.388 52.735 53.050 0.122 0.000 0.892 288 N CB 2.038 40.456 38.487 -0.115 0.000 1.193 288 N HN 1.038 nan 8.380 nan 0.000 0.487 289 G N 0.996 110.026 108.800 0.382 0.000 2.368 289 G HA2 0.315 4.275 3.960 -0.001 0.000 0.320 289 G HA3 0.315 4.275 3.960 -0.001 0.000 0.320 289 G C -0.446 174.583 174.900 0.216 0.000 1.158 289 G CA -0.451 44.822 45.100 0.288 0.000 0.912 289 G HN 0.378 nan 8.290 nan 0.000 0.456 290 K N 1.756 122.172 120.400 0.028 0.000 2.185 290 K HA 0.236 4.556 4.320 -0.001 0.000 0.269 290 K C -0.383 176.200 176.600 -0.028 0.000 0.987 290 K CA -0.780 55.370 56.287 -0.229 0.000 0.865 290 K CB 0.767 33.016 32.500 -0.419 0.000 1.090 290 K HN 0.433 nan 8.250 nan 0.000 0.450 291 N N 2.550 121.239 118.700 -0.020 0.000 2.458 291 N HA -0.019 4.720 4.740 -0.001 0.000 0.270 291 N C -1.084 174.456 175.510 0.051 0.000 1.102 291 N CA -0.087 53.004 53.050 0.068 0.000 0.967 291 N CB 0.448 38.996 38.487 0.102 0.000 1.078 291 N HN 0.517 nan 8.380 nan 0.000 0.471 292 H N 1.837 120.920 119.070 0.021 0.000 2.683 292 H HA 0.065 4.621 4.556 -0.001 0.000 0.339 292 H C 0.838 176.142 175.328 -0.040 0.000 1.081 292 H CA 0.362 56.388 56.048 -0.037 0.000 1.432 292 H CB 1.016 30.791 29.762 0.023 0.000 1.462 292 H HN 0.706 nan 8.280 nan 0.000 0.557 293 S N 1.953 117.613 115.700 -0.066 0.000 2.453 293 S HA -0.038 4.432 4.470 -0.001 0.000 0.231 293 S C 1.832 176.508 174.600 0.128 0.000 1.005 293 S CA 0.557 58.766 58.200 0.015 0.000 0.949 293 S CB 0.196 63.348 63.200 -0.079 0.000 0.774 293 S HN 0.668 nan 8.310 nan 0.000 0.510 294 G N 0.972 109.976 108.800 0.341 0.000 2.743 294 G HA2 0.229 4.189 3.960 -0.001 0.000 0.206 294 G HA3 0.229 4.189 3.960 -0.001 0.000 0.206 294 G C 1.396 176.338 174.900 0.070 0.000 1.115 294 G CA -0.512 44.706 45.100 0.197 0.000 0.782 294 G HN 0.481 nan 8.290 nan 0.000 0.524 295 R N 0.115 120.615 120.500 -0.000 0.000 2.535 295 R HA 0.275 4.615 4.340 -0.001 0.000 0.323 295 R C 1.188 177.484 176.300 -0.007 0.000 0.979 295 R CA 0.088 56.101 56.100 -0.144 0.000 1.120 295 R CB 1.285 31.328 30.300 -0.428 0.000 1.306 295 R HN 0.245 nan 8.270 nan 0.000 0.540 296 G N 0.371 109.230 108.800 0.098 0.000 2.574 296 G HA2 0.060 4.020 3.960 -0.001 0.000 0.248 296 G HA3 0.060 4.020 3.960 -0.001 0.000 0.248 296 G C -1.029 173.924 174.900 0.089 0.000 1.422 296 G CA -0.178 44.995 45.100 0.122 0.000 1.051 296 G HN -0.005 nan 8.290 nan 0.000 0.560 297 D N -1.093 119.386 120.400 0.132 0.000 2.381 297 D HA 0.288 4.928 4.640 -0.001 0.000 0.235 297 D C 0.847 177.212 176.300 0.110 0.000 1.068 297 D CA -0.474 53.594 54.000 0.114 0.000 0.832 297 D CB 1.669 42.594 40.800 0.209 0.000 1.101 297 D HN 0.230 nan 8.370 nan 0.000 0.515 298 K N 2.060 122.479 120.400 0.032 0.000 2.442 298 K HA 0.006 4.326 4.320 -0.001 0.000 0.198 298 K C 1.659 178.225 176.600 -0.057 0.000 1.042 298 K CA 0.476 56.766 56.287 0.004 0.000 0.958 298 K CB 0.339 32.831 32.500 -0.013 0.000 0.766 298 K HN 0.328 nan 8.250 nan 0.000 0.474 299 R N -0.580 119.844 120.500 -0.127 0.000 2.120 299 R HA -0.108 4.231 4.340 -0.001 0.000 0.234 299 R C 0.190 176.197 176.300 -0.489 0.000 1.123 299 R CA 1.140 57.038 56.100 -0.338 0.000 0.975 299 R CB -0.054 29.960 30.300 -0.477 0.000 0.866 299 R HN 0.098 nan 8.270 nan 0.000 0.446 300 Y N -0.625 119.675 120.300 -0.001 0.000 2.534 300 Y HA 0.229 4.778 4.550 -0.001 0.000 0.329 300 Y C 0.653 176.553 175.900 0.000 0.000 1.154 300 Y CA -1.127 56.971 58.100 -0.002 0.000 1.192 300 Y CB 1.003 39.481 38.460 0.029 0.000 1.275 300 Y HN -0.227 nan 8.280 nan 0.000 0.491 301 T N 1.814 116.466 114.554 0.163 0.000 2.940 301 T HA 0.373 4.722 4.350 -0.001 0.000 0.309 301 T C 0.191 174.937 174.700 0.076 0.000 1.056 301 T CA -0.355 61.795 62.100 0.083 0.000 1.137 301 T CB 0.267 69.171 68.868 0.060 0.000 0.976 301 T HN 0.729 nan 8.240 nan 0.000 0.547 302 A N 3.365 126.210 122.820 0.042 0.000 2.388 302 A HA 0.453 4.772 4.320 -0.001 0.000 0.257 302 A C 0.937 178.511 177.584 -0.016 0.000 1.095 302 A CA -0.719 51.326 52.037 0.013 0.000 0.791 302 A CB -0.136 18.862 19.000 -0.004 0.000 1.029 302 A HN 0.908 nan 8.150 nan 0.000 0.489 303 N N -1.557 117.102 118.700 -0.069 0.000 2.725 303 N HA -0.166 4.573 4.740 -0.001 0.000 0.249 303 N C -0.224 175.221 175.510 -0.107 0.000 1.103 303 N CA 1.377 54.360 53.050 -0.111 0.000 0.707 303 N CB -2.103 36.331 38.487 -0.088 0.000 1.043 303 N HN 1.375 nan 8.380 nan 0.000 0.553 304 V N -4.473 115.364 119.914 -0.128 0.000 3.160 304 V HA 0.749 4.868 4.120 -0.001 0.000 0.310 304 V C -0.351 175.634 176.094 -0.181 0.000 1.181 304 V CA -1.169 61.044 62.300 -0.145 0.000 1.047 304 V CB 1.844 33.637 31.823 -0.050 0.000 1.068 304 V HN 0.004 nan 8.190 nan 0.000 0.441 305 Y N 0.649 120.958 120.300 0.014 0.000 2.361 305 Y HA 0.862 5.412 4.550 -0.001 0.000 0.332 305 Y C 0.530 176.424 175.900 -0.011 0.000 1.101 305 Y CA 0.219 58.358 58.100 0.065 0.000 1.137 305 Y CB 1.916 40.474 38.460 0.163 0.000 1.207 305 Y HN 1.126 nan 8.280 nan 0.000 0.463 306 A N 1.510 124.416 122.820 0.144 0.000 2.486 306 A HA 0.849 5.168 4.320 -0.001 0.000 0.300 306 A C -1.219 176.290 177.584 -0.124 0.000 1.048 306 A CA -0.723 51.244 52.037 -0.117 0.000 0.696 306 A CB 0.818 19.613 19.000 -0.343 0.000 1.278 306 A HN 0.840 nan 8.150 nan 0.000 0.405 307 A N 0.889 123.488 122.820 -0.368 0.000 2.331 307 A HA 0.748 5.068 4.320 -0.001 0.000 0.283 307 A C 0.588 177.928 177.584 -0.407 0.000 1.142 307 A CA 0.362 52.143 52.037 -0.427 0.000 0.812 307 A CB 0.354 18.925 19.000 -0.715 0.000 1.074 307 A HN 1.954 nan 8.150 nan 0.000 0.497 308 G N 0.316 108.989 108.800 -0.211 0.000 3.042 308 G HA2 0.634 4.593 3.960 -0.001 0.000 0.278 308 G HA3 0.634 4.593 3.960 -0.001 0.000 0.278 308 G C -1.140 173.739 174.900 -0.035 0.000 1.371 308 G CA -0.567 44.475 45.100 -0.097 0.000 1.009 308 G HN 0.755 nan 8.290 nan 0.000 0.523 309 Q N -1.263 118.644 119.800 0.178 0.000 2.345 309 Q HA 0.612 4.951 4.340 -0.001 0.000 0.275 309 Q C -1.058 175.272 176.000 0.549 0.000 1.063 309 Q CA -0.870 55.144 55.803 0.351 0.000 0.819 309 Q CB 2.715 31.550 28.738 0.163 0.000 1.356 309 Q HN 0.811 nan 8.270 nan 0.000 0.418 310 A N 1.764 124.837 122.820 0.423 0.000 2.374 310 A HA 0.808 5.128 4.320 -0.001 0.000 0.317 310 A C -1.712 175.687 177.584 -0.309 0.000 1.094 310 A CA -0.535 51.483 52.037 -0.032 0.000 0.765 310 A CB 1.305 20.188 19.000 -0.196 0.000 1.268 310 A HN 0.533 nan 8.150 nan 0.000 0.438 311 L N 1.564 122.248 121.223 -0.899 0.000 2.333 311 L HA 0.835 5.174 4.340 -0.001 0.000 0.280 311 L C -1.562 174.743 176.870 -0.941 0.000 1.004 311 L CA -0.238 54.026 54.840 -0.960 0.000 0.820 311 L CB 0.777 41.860 42.059 -1.627 0.000 1.247 311 L HN 0.595 nan 8.230 nan 0.000 0.416 312 F N 2.021 121.754 119.950 -0.361 0.000 2.556 312 F HA 0.398 4.925 4.527 -0.000 0.000 0.327 312 F C 0.352 176.040 175.800 -0.187 0.000 1.059 312 F CA -0.714 57.166 58.000 -0.199 0.000 0.953 312 F CB 1.201 40.218 39.000 0.028 0.000 1.227 312 F HN 0.432 nan 8.300 nan 0.000 0.478 313 D N 1.098 121.536 120.400 0.062 0.000 2.425 313 D HA 0.156 4.795 4.640 -0.001 0.000 0.247 313 D C 0.803 177.106 176.300 0.005 0.000 1.147 313 D CA 0.310 54.299 54.000 -0.018 0.000 0.879 313 D CB 1.752 42.550 40.800 -0.005 0.000 1.179 313 D HN 0.673 nan 8.370 nan 0.000 0.456 314 A N 4.865 127.650 122.820 -0.059 0.000 1.902 314 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 314 A C 1.781 179.433 177.584 0.112 0.000 1.181 314 A CA 1.145 53.156 52.037 -0.043 0.000 0.623 314 A CB -0.229 18.632 19.000 -0.232 0.000 0.818 314 A HN 0.631 nan 8.150 nan 0.000 0.443 315 N N -0.094 118.638 118.700 0.054 0.000 2.396 315 N HA -0.023 4.717 4.740 -0.001 0.000 0.180 315 N C -0.262 175.261 175.510 0.022 0.000 1.028 315 N CA 1.077 54.158 53.050 0.052 0.000 0.893 315 N CB 0.023 38.528 38.487 0.031 0.000 0.967 315 N HN 0.470 nan 8.380 nan 0.000 0.440 316 D N -0.880 119.527 120.400 0.012 0.000 2.358 316 D HA 0.244 4.883 4.640 -0.001 0.000 0.253 316 D C -2.253 174.036 176.300 -0.018 0.000 1.288 316 D CA -2.020 51.977 54.000 -0.006 0.000 0.950 316 D CB 1.648 42.465 40.800 0.028 0.000 1.197 316 D HN -0.121 nan 8.370 nan 0.000 0.550 317 P HA -0.058 nan 4.420 nan 0.000 0.225 317 P C 1.155 178.373 177.300 -0.137 0.000 1.148 317 P CA 1.032 63.940 63.100 -0.321 0.000 0.779 317 P CB 0.118 31.117 31.700 -1.168 0.000 0.780 318 T N -4.379 110.184 114.554 0.016 0.000 3.129 318 T HA 0.060 4.410 4.350 -0.001 0.000 0.251 318 T C 0.914 175.843 174.700 0.382 0.000 1.117 318 T CA -0.229 62.014 62.100 0.239 0.000 1.034 318 T CB -0.442 68.561 68.868 0.225 0.000 0.968 318 T HN -0.049 nan 8.240 nan 0.000 0.526 319 R N 1.082 121.784 120.500 0.338 0.000 2.248 319 R HA 0.406 4.746 4.340 -0.001 0.000 0.337 319 R C -0.745 175.757 176.300 0.336 0.000 1.106 319 R CA -0.970 55.301 56.100 0.286 0.000 0.959 319 R CB -0.428 29.954 30.300 0.136 0.000 1.075 319 R HN 0.355 nan 8.270 nan 0.000 0.480 320 F N 5.364 125.390 119.950 0.126 0.000 2.529 320 F HA 0.109 4.636 4.527 -0.001 0.000 0.365 320 F C 0.458 176.066 175.800 -0.320 0.000 1.102 320 F CA 0.243 58.065 58.000 -0.296 0.000 1.271 320 F CB 0.603 39.464 39.000 -0.231 0.000 1.120 320 F HN 0.522 nan 8.300 nan 0.000 0.579 321 I N 2.091 121.928 120.570 -1.222 0.000 3.132 321 I HA 0.122 4.291 4.170 -0.001 0.000 0.255 321 I C 0.605 175.983 176.117 -1.233 0.000 1.118 321 I CA 0.492 61.234 61.300 -0.930 0.000 1.463 321 I CB 0.433 38.005 38.000 -0.715 0.000 1.356 321 I HN 0.644 nan 8.210 nan 0.000 0.463 322 T N 0.346 113.891 114.554 -1.682 0.000 2.700 322 T HA 0.487 4.837 4.350 -0.001 0.000 0.307 322 T C -1.792 172.398 174.700 -0.850 0.000 1.580 322 T CA -0.774 60.677 62.100 -1.082 0.000 0.992 322 T CB 1.626 70.196 68.868 -0.495 0.000 1.577 322 T HN 0.384 nan 8.240 nan 0.000 0.496 323 R N 1.196 121.566 120.500 -0.218 0.000 2.799 323 R HA 0.746 5.086 4.340 -0.001 0.000 0.270 323 R C -1.028 175.398 176.300 0.210 0.000 1.010 323 R CA -1.158 54.967 56.100 0.041 0.000 0.916 323 R CB 0.934 31.238 30.300 0.007 0.000 1.228 323 R HN 0.472 nan 8.270 nan 0.000 0.469 324 L N 1.733 123.143 121.223 0.311 0.000 2.416 324 L HA 0.101 4.440 4.340 -0.001 0.000 0.272 324 L C 0.338 177.383 176.870 0.293 0.000 1.161 324 L CA -0.216 54.772 54.840 0.248 0.000 0.845 324 L CB 0.639 42.811 42.059 0.189 0.000 1.119 324 L HN 0.711 nan 8.230 nan 0.000 0.464 325 D N 0.718 121.270 120.400 0.254 0.000 2.317 325 D HA -0.011 4.628 4.640 -0.001 0.000 0.211 325 D C 0.327 176.922 176.300 0.492 0.000 0.966 325 D CA 1.038 55.257 54.000 0.364 0.000 0.876 325 D CB 0.407 41.416 40.800 0.349 0.000 0.927 325 D HN 0.452 nan 8.370 nan 0.000 0.519 326 E N 0.638 121.000 120.200 0.271 0.000 2.266 326 E HA 0.312 4.662 4.350 -0.001 0.000 0.268 326 E C -2.493 173.903 176.600 -0.340 0.000 0.879 326 E CA -2.174 54.252 56.400 0.044 0.000 0.762 326 E CB 2.313 32.060 29.700 0.078 0.000 1.199 326 E HN -0.050 nan 8.360 nan 0.000 0.422 327 P HA 0.052 nan 4.420 nan 0.000 0.271 327 P C 0.410 177.457 177.300 -0.421 0.000 1.216 327 P CA -0.094 62.367 63.100 -1.065 0.000 0.776 327 P CB 0.250 31.087 31.700 -1.438 0.000 0.881 328 F N 1.184 120.955 119.950 -0.299 0.000 2.664 328 F HA 0.440 4.967 4.527 -0.001 0.000 0.296 328 F C -0.040 175.746 175.800 -0.023 0.000 1.125 328 F CA -0.282 57.638 58.000 -0.133 0.000 1.444 328 F CB -0.096 38.848 39.000 -0.093 0.000 1.114 328 F HN 0.052 nan 8.300 nan 0.000 0.576 329 F N 3.036 122.323 119.950 -1.106 0.000 2.588 329 F HA 0.565 5.092 4.527 -0.001 0.000 0.318 329 F C -0.508 174.876 175.800 -0.694 0.000 1.155 329 F CA -1.384 56.084 58.000 -0.887 0.000 0.967 329 F CB 1.237 39.485 39.000 -1.253 0.000 1.236 329 F HN 0.073 nan 8.300 nan 0.000 0.455 330 R N 4.543 124.533 120.500 -0.850 0.000 2.795 330 R HA 0.744 5.084 4.340 -0.001 0.000 0.268 330 R C -3.192 172.748 176.300 -0.599 0.000 1.041 330 R CA -2.081 53.676 56.100 -0.572 0.000 0.927 330 R CB 1.160 31.239 30.300 -0.368 0.000 1.235 330 R HN 0.264 nan 8.270 nan 0.000 0.463 334 S N -0.160 115.489 115.700 -0.085 0.000 2.399 334 S HA -0.193 4.276 4.470 -0.001 0.000 0.231 334 S C 1.957 176.549 174.600 -0.014 0.000 1.022 334 S CA 1.211 59.393 58.200 -0.029 0.000 0.983 334 S CB -0.687 62.539 63.200 0.044 0.000 0.803 334 S HN 0.578 nan 8.310 nan 0.000 0.480 335 F N 2.098 122.073 119.950 0.040 0.000 2.365 335 F HA 0.257 4.784 4.527 -0.001 0.000 0.300 335 F C 1.662 177.496 175.800 0.057 0.000 1.090 335 F CA 0.681 58.707 58.000 0.042 0.000 1.408 335 F CB -0.782 38.242 39.000 0.041 0.000 1.060 335 F HN 0.176 nan 8.300 nan 0.000 0.534 336 E N 0.530 120.391 120.200 -0.564 0.000 2.476 336 E HA 0.120 4.470 4.350 -0.001 0.000 0.191 336 E C -0.107 176.420 176.600 -0.122 0.000 1.064 336 E CA 0.061 56.274 56.400 -0.313 0.000 0.866 336 E CB 0.150 29.584 29.700 -0.444 0.000 0.952 336 E HN 0.465 nan 8.360 nan 0.000 0.492 337 K N 0.159 120.516 120.400 -0.073 0.000 2.350 337 K HA 0.514 4.833 4.320 -0.001 0.000 0.241 337 K C -0.479 176.149 176.600 0.047 0.000 0.994 337 K CA -0.666 55.622 56.287 0.002 0.000 0.839 337 K CB 2.168 34.655 32.500 -0.021 0.000 1.244 337 K HN -0.022 nan 8.250 nan 0.000 0.443 338 S N -1.680 114.063 115.700 0.072 0.000 2.688 338 S HA 0.390 4.860 4.470 -0.001 0.000 0.275 338 S C 0.805 175.412 174.600 0.012 0.000 1.175 338 S CA -0.545 57.684 58.200 0.048 0.000 0.818 338 S CB 0.967 64.207 63.200 0.067 0.000 1.157 338 S HN 0.662 nan 8.310 nan 0.000 0.482 339 G N -0.089 108.699 108.800 -0.021 0.000 2.422 339 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.218 339 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.218 339 G C 1.120 175.962 174.900 -0.098 0.000 1.140 339 G CA 1.019 46.092 45.100 -0.047 0.000 0.775 339 G HN 0.767 nan 8.290 nan 0.000 0.545 340 Q N -0.840 118.865 119.800 -0.159 0.000 2.049 340 Q HA -0.014 4.326 4.340 -0.001 0.000 0.198 340 Q C -0.037 175.667 176.000 -0.492 0.000 0.971 340 Q CA 0.664 56.250 55.803 -0.362 0.000 0.833 340 Q CB 0.027 28.479 28.738 -0.477 0.000 0.896 340 Q HN 0.506 nan 8.270 nan 0.000 0.434 341 Y N -0.056 120.225 120.300 -0.032 0.000 2.842 341 Y HA 0.222 4.771 4.550 -0.001 0.000 0.334 341 Y C 0.717 176.601 175.900 -0.028 0.000 1.019 341 Y CA -0.664 57.420 58.100 -0.026 0.000 1.258 341 Y CB 1.207 39.655 38.460 -0.019 0.000 1.106 341 Y HN -0.141 nan 8.280 nan 0.000 0.545 342 V N 0.958 120.915 119.914 0.071 0.000 2.324 342 V HA -0.279 3.840 4.120 -0.001 0.000 0.250 342 V C 1.088 177.201 176.094 0.033 0.000 1.060 342 V CA 2.179 64.499 62.300 0.033 0.000 1.042 342 V CB -0.039 31.788 31.823 0.007 0.000 0.650 342 V HN 0.687 nan 8.190 nan 0.000 0.450 343 D N -0.505 119.924 120.400 0.048 0.000 2.340 343 D HA 0.338 4.978 4.640 -0.001 0.000 0.217 343 D C 1.044 177.349 176.300 0.008 0.000 1.081 343 D CA 1.010 55.021 54.000 0.018 0.000 0.842 343 D CB 0.450 41.260 40.800 0.017 0.000 0.934 343 D HN 0.487 nan 8.370 nan 0.000 0.511 344 G N 0.507 109.333 108.800 0.043 0.000 2.860 344 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.553 344 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.553 344 G C -0.288 174.575 174.900 -0.061 0.000 1.439 344 G CA -0.137 44.962 45.100 -0.002 0.000 0.879 344 G HN 0.281 nan 8.290 nan 0.000 0.545 345 T N -1.255 113.229 114.554 -0.116 0.000 3.159 345 T HA 0.678 5.027 4.350 -0.001 0.000 0.343 345 T C -0.490 174.210 174.700 0.000 0.000 1.364 345 T CA 0.504 62.537 62.100 -0.111 0.000 1.102 345 T CB 1.167 69.847 68.868 -0.314 0.000 1.263 345 T HN 2.195 nan 8.240 nan 0.000 0.477 346 V N 2.439 122.404 119.914 0.085 0.000 2.735 346 V HA 0.914 5.034 4.120 -0.001 0.000 0.310 346 V C -1.234 175.003 176.094 0.238 0.000 1.061 346 V CA -1.001 61.419 62.300 0.199 0.000 0.913 346 V CB 1.708 33.594 31.823 0.105 0.000 1.005 346 V HN 0.840 nan 8.190 nan 0.000 0.428 347 F N 6.482 126.493 119.950 0.102 0.000 2.610 347 F HA 0.672 5.198 4.527 -0.001 0.000 0.355 347 F C -0.023 175.814 175.800 0.061 0.000 1.140 347 F CA -1.130 56.850 58.000 -0.034 0.000 1.037 347 F CB 1.189 40.103 39.000 -0.143 0.000 1.287 347 F HN 0.781 nan 8.300 nan 0.000 0.457 348 I N 1.904 122.299 120.570 -0.290 0.000 2.588 348 I HA 0.416 4.586 4.170 -0.001 0.000 0.283 348 I C 0.305 176.262 176.117 -0.266 0.000 1.119 348 I CA 0.283 61.464 61.300 -0.198 0.000 1.419 348 I CB 1.590 39.428 38.000 -0.270 0.000 1.394 348 I HN 0.842 nan 8.210 nan 0.000 0.562 349 E N 3.160 123.329 120.200 -0.051 0.000 2.537 349 E HA 0.251 4.600 4.350 -0.001 0.000 0.191 349 E C 0.487 177.131 176.600 0.074 0.000 0.987 349 E CA 0.068 56.464 56.400 -0.007 0.000 1.607 349 E CB 0.756 30.506 29.700 0.083 0.000 2.499 349 E HN 0.938 nan 8.360 nan 0.000 1.073 353 Y N 5.555 125.811 120.300 -0.074 0.000 2.452 353 Y HA 0.719 5.269 4.550 -0.001 0.000 0.348 353 Y C -1.006 174.875 175.900 -0.031 0.000 0.985 353 Y CA -1.206 56.562 58.100 -0.553 0.000 1.214 353 Y CB 0.911 38.715 38.460 -1.093 0.000 1.136 353 Y HN 0.584 nan 8.280 nan 0.000 0.523 354 F N 6.051 125.796 119.950 -0.342 0.000 2.557 354 F HA 0.386 4.912 4.527 -0.001 0.000 0.316 354 F C -0.214 175.425 175.800 -0.267 0.000 1.141 354 F CA -1.457 56.378 58.000 -0.275 0.000 0.922 354 F CB 1.122 39.982 39.000 -0.234 0.000 1.194 354 F HN 0.542 nan 8.300 nan 0.000 0.443 355 K N 5.343 125.256 120.400 -0.812 0.000 3.148 355 K HA -0.280 4.039 4.320 -0.001 0.000 0.267 355 K C 0.033 176.380 176.600 -0.421 0.000 0.996 355 K CA 0.932 56.849 56.287 -0.616 0.000 0.737 355 K CB -1.231 30.903 32.500 -0.609 0.000 1.308 355 K HN 0.850 nan 8.250 nan 0.000 0.470 356 N N -1.219 117.100 118.700 -0.634 0.000 2.741 356 N HA -0.187 4.553 4.740 -0.001 0.000 0.251 356 N C -0.680 174.659 175.510 -0.284 0.000 1.112 356 N CA 1.829 54.582 53.050 -0.496 0.000 0.750 356 N CB -0.601 37.768 38.487 -0.195 0.000 1.119 356 N HN 0.592 nan 8.380 nan 0.000 0.561 357 K N -1.151 119.063 120.400 -0.310 0.000 2.482 357 K HA 0.458 4.777 4.320 -0.001 0.000 0.257 357 K C -0.888 175.733 176.600 0.036 0.000 0.969 357 K CA -0.567 55.664 56.287 -0.093 0.000 0.842 357 K CB 1.301 33.743 32.500 -0.096 0.000 1.359 357 K HN -0.044 nan 8.250 nan 0.000 0.441 358 W N 1.522 122.916 121.300 0.158 0.000 2.349 358 W HA 0.326 4.985 4.660 -0.001 0.000 0.309 358 W C -0.749 175.892 176.519 0.204 0.000 1.083 358 W CA -0.336 57.236 57.345 0.379 0.000 1.224 358 W CB 0.701 30.468 29.460 0.511 0.000 1.256 358 W HN 0.381 nan 8.180 nan 0.000 0.461 359 Y N 4.350 124.964 120.300 0.523 0.000 2.385 359 Y HA 0.390 4.939 4.550 -0.001 0.000 0.341 359 Y C -0.113 175.866 175.900 0.131 0.000 0.965 359 Y CA -0.997 57.257 58.100 0.256 0.000 1.180 359 Y CB 0.733 39.321 38.460 0.213 0.000 1.139 359 Y HN 0.130 nan 8.280 nan 0.000 0.502 360 L N 5.442 126.714 121.223 0.081 0.000 2.272 360 L HA 0.477 4.817 4.340 -0.001 0.000 0.289 360 L C -1.631 175.100 176.870 -0.232 0.000 1.032 360 L CA -0.824 53.966 54.840 -0.082 0.000 0.810 360 L CB -0.020 41.783 42.059 -0.426 0.000 1.205 360 L HN 0.409 nan 8.230 nan 0.000 0.422 361 Y N 5.787 126.197 120.300 0.184 0.000 2.341 361 Y HA 0.598 5.147 4.550 -0.001 0.000 0.337 361 Y C -0.535 175.464 175.900 0.165 0.000 1.014 361 Y CA -0.361 57.819 58.100 0.134 0.000 1.111 361 Y CB 1.267 39.761 38.460 0.056 0.000 1.194 361 Y HN 0.590 nan 8.280 nan 0.000 0.462 362 Y N -0.735 119.647 120.300 0.138 0.000 2.625 362 Y HA 0.866 5.415 4.550 -0.001 0.000 0.338 362 Y C -0.256 175.763 175.900 0.198 0.000 1.123 362 Y CA -2.432 55.740 58.100 0.119 0.000 1.046 362 Y CB 0.781 39.265 38.460 0.040 0.000 1.299 362 Y HN 0.707 nan 8.280 nan 0.000 0.464 363 G N 0.235 109.253 108.800 0.363 0.000 2.372 363 G HA2 0.463 4.422 3.960 -0.001 0.000 0.283 363 G HA3 0.463 4.422 3.960 -0.001 0.000 0.283 363 G C -1.368 173.727 174.900 0.326 0.000 1.177 363 G CA -0.558 44.741 45.100 0.332 0.000 0.842 363 G HN 0.852 nan 8.290 nan 0.000 0.503 364 C N 1.760 121.186 119.300 0.211 0.000 2.293 364 C HA 0.618 5.077 4.460 -0.001 0.000 0.323 364 C C 1.069 176.100 174.990 0.068 0.000 1.240 364 C CA 0.228 59.352 59.018 0.177 0.000 1.497 364 C CB -0.070 27.797 27.740 0.212 0.000 2.171 364 C HN 1.603 nan 8.230 nan 0.000 0.465 365 A N 3.263 126.082 122.820 -0.000 0.000 2.783 365 A HA -0.180 4.140 4.320 -0.001 0.000 0.292 365 A C 0.600 178.148 177.584 -0.060 0.000 1.495 365 A CA 1.159 53.173 52.037 -0.038 0.000 0.787 365 A CB -1.741 17.331 19.000 0.121 0.000 1.017 365 A HN 1.078 nan 8.150 nan 0.000 0.516 366 D N -2.402 117.873 120.400 -0.208 0.000 2.882 366 D HA -0.228 4.411 4.640 -0.001 0.000 0.229 366 D C 1.026 176.713 176.300 -1.021 0.000 1.167 366 D CA 2.318 55.914 54.000 -0.672 0.000 0.759 366 D CB -1.484 39.055 40.800 -0.435 0.000 1.088 366 D HN 1.643 nan 8.370 nan 0.000 0.425 367 S N -3.127 112.313 115.700 -0.433 0.000 2.612 367 S HA 0.191 4.661 4.470 -0.001 0.000 0.278 367 S C 0.546 175.135 174.600 -0.019 0.000 1.082 367 S CA -0.374 57.679 58.200 -0.244 0.000 1.185 367 S CB 1.467 64.591 63.200 -0.125 0.000 1.077 367 S HN 0.144 nan 8.310 nan 0.000 0.585 368 K N 0.508 120.937 120.400 0.047 0.000 2.466 368 K HA 0.767 5.087 4.320 -0.001 0.000 0.260 368 K C -1.670 174.969 176.600 0.065 0.000 1.011 368 K CA -0.906 55.414 56.287 0.055 0.000 0.871 368 K CB 2.454 34.991 32.500 0.062 0.000 1.404 368 K HN 0.009 nan 8.250 nan 0.000 0.450 369 V N 0.848 120.737 119.914 -0.042 0.000 2.513 369 V HA 0.621 4.740 4.120 -0.001 0.000 0.299 369 V C 0.114 176.079 176.094 -0.216 0.000 1.035 369 V CA -0.560 61.669 62.300 -0.118 0.000 0.889 369 V CB 1.590 33.306 31.823 -0.179 0.000 0.988 369 V HN 0.936 nan 8.190 nan 0.000 0.440 370 G N 1.968 110.488 108.800 -0.468 0.000 2.569 370 G HA2 0.696 4.655 3.960 -0.001 0.000 0.300 370 G HA3 0.696 4.655 3.960 -0.001 0.000 0.300 370 G C -1.649 172.925 174.900 -0.543 0.000 1.269 370 G CA -0.684 44.064 45.100 -0.586 0.000 0.959 370 G HN 0.676 nan 8.290 nan 0.000 0.478 371 V N -0.486 119.361 119.914 -0.110 0.000 2.876 371 V HA 0.909 5.028 4.120 -0.001 0.000 0.312 371 V C -0.602 175.658 176.094 0.277 0.000 1.085 371 V CA -0.196 62.116 62.300 0.020 0.000 0.945 371 V CB 1.795 33.629 31.823 0.019 0.000 1.017 371 V HN 1.621 nan 8.190 nan 0.000 0.428 372 A N 4.733 127.677 122.820 0.207 0.000 2.515 372 A HA 0.877 5.197 4.320 -0.001 0.000 0.298 372 A C -1.642 176.072 177.584 0.217 0.000 1.059 372 A CA -0.520 51.673 52.037 0.260 0.000 0.698 372 A CB 2.191 21.329 19.000 0.230 0.000 1.289 372 A HN 1.112 nan 8.150 nan 0.000 0.404 373 V N 2.012 122.027 119.914 0.169 0.000 2.487 373 V HA 0.436 4.555 4.120 -0.001 0.000 0.298 373 V C -1.109 174.983 176.094 -0.003 0.000 1.028 373 V CA -0.527 61.759 62.300 -0.025 0.000 0.860 373 V CB 1.394 33.048 31.823 -0.280 0.000 0.991 373 V HN 0.855 nan 8.190 nan 0.000 0.427 374 Y N 3.602 123.734 120.300 -0.281 0.000 2.331 374 Y HA 0.653 5.202 4.550 -0.001 0.000 0.338 374 Y C -0.468 175.364 175.900 -0.114 0.000 0.992 374 Y CA -1.252 56.586 58.100 -0.436 0.000 1.121 374 Y CB 1.494 39.247 38.460 -1.179 0.000 1.184 374 Y HN 0.709 nan 8.280 nan 0.000 0.469 375 D N 8.718 128.841 120.400 -0.462 0.000 2.454 375 D HA 0.346 4.986 4.640 -0.001 0.000 0.225 375 D C -2.170 173.782 176.300 -0.580 0.000 1.081 375 D CA -2.654 51.091 54.000 -0.424 0.000 0.864 375 D CB 1.956 42.646 40.800 -0.182 0.000 1.040 375 D HN 0.347 nan 8.370 nan 0.000 0.517 376 P HA -0.135 nan 4.420 nan 0.000 0.217 376 P C 0.929 178.149 177.300 -0.134 0.000 1.148 376 P CA 0.851 63.717 63.100 -0.391 0.000 0.828 376 P CB 0.363 31.976 31.700 -0.144 0.000 0.783 377 K N -1.245 119.089 120.400 -0.110 0.000 2.459 377 K HA 0.100 4.420 4.320 -0.001 0.000 0.193 377 K C 1.253 177.826 176.600 -0.044 0.000 1.030 377 K CA 0.202 56.456 56.287 -0.055 0.000 1.026 377 K CB -0.326 32.148 32.500 -0.043 0.000 0.809 377 K HN 0.177 nan 8.250 nan 0.000 0.504 378 R N 0.619 121.085 120.500 -0.057 0.000 2.672 378 R HA 0.164 4.504 4.340 -0.001 0.000 0.228 378 R C -3.188 173.107 176.300 -0.008 0.000 1.501 378 R CA -1.237 54.847 56.100 -0.027 0.000 1.514 378 R CB 0.734 31.019 30.300 -0.025 0.000 1.489 378 R HN 0.083 nan 8.270 nan 0.000 0.747 379 P HA 0.063 nan 4.420 nan 0.000 0.263 379 P C -0.510 176.831 177.300 0.069 0.000 1.195 379 P CA 0.209 63.375 63.100 0.111 0.000 0.762 379 P CB 1.179 32.970 31.700 0.151 0.000 0.799 380 A N 4.049 126.919 122.820 0.084 0.000 2.257 380 A HA 0.351 4.670 4.320 -0.001 0.000 0.289 380 A C 0.223 177.839 177.584 0.053 0.000 1.095 380 A CA -0.571 51.503 52.037 0.062 0.000 0.836 380 A CB 0.319 19.365 19.000 0.077 0.000 1.111 380 A HN 0.448 nan 8.150 nan 0.000 0.497 381 K N 0.191 120.616 120.400 0.043 0.000 2.258 381 K HA 0.432 4.752 4.320 -0.001 0.000 0.264 381 K C 0.480 177.118 176.600 0.062 0.000 1.007 381 K CA 0.163 56.469 56.287 0.032 0.000 0.941 381 K CB 0.754 33.265 32.500 0.020 0.000 0.966 381 K HN 0.770 nan 8.250 nan 0.000 0.480 382 A N 1.740 124.595 122.820 0.058 0.000 2.267 382 A HA 0.084 4.403 4.320 -0.001 0.000 0.271 382 A C -0.376 177.244 177.584 0.061 0.000 1.131 382 A CA -0.457 51.648 52.037 0.113 0.000 0.818 382 A CB 0.158 19.228 19.000 0.117 0.000 1.118 382 A HN 0.692 nan 8.150 nan 0.000 0.501 383 D N 1.391 121.810 120.400 0.031 0.000 2.455 383 D HA 0.264 4.903 4.640 -0.001 0.000 0.241 383 D C -2.012 174.262 176.300 -0.043 0.000 1.138 383 D CA -0.416 53.546 54.000 -0.062 0.000 0.877 383 D CB 0.325 41.001 40.800 -0.207 0.000 1.187 383 D HN 0.246 nan 8.370 nan 0.000 0.451 384 P HA 0.088 nan 4.420 nan 0.000 0.272 384 P C 0.040 177.329 177.300 -0.019 0.000 1.240 384 P CA -0.404 62.682 63.100 -0.023 0.000 0.791 384 P CB 0.802 32.487 31.700 -0.024 0.000 0.978 385 L N 2.161 123.382 121.223 -0.004 0.000 2.439 385 L HA 0.241 4.580 4.340 -0.001 0.000 0.269 385 L C -1.362 175.476 176.870 -0.054 0.000 1.179 385 L CA -1.771 53.069 54.840 0.001 0.000 0.828 385 L CB -0.395 41.669 42.059 0.008 0.000 1.106 385 L HN 0.324 nan 8.230 nan 0.000 0.467 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.005 63.100 -0.159 0.000 0.800 386 P CB 0.000 31.524 31.700 -0.292 0.000 0.726