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 2x26_1_B DATA FIRST_RESID 25 DATA SEQUENCE SPEALRIGYQ KGSIGMVLAK SHQLLEKRYP ESKISWVEFP AGPQMLEALN DATA SEQUENCE VGSIDLGSTG DIPPIFAQAA GADLVYVGVE PPKPKAEVIL VAENSPIKTV DATA SEQUENCE ADLKGHKVAF QKGSSSHNLL LRALRQAGLK FTDIQPTYLT PADARAAFQQ DATA SEQUENCE GNVDAWAIWD PYYSAALLQG GVRVLKDGTD LNQTGSFYLA ARPYAEKNGA DATA SEQUENCE FIQGVLATFS EADALTRSQR EQSIALLAKT MGLPAPVIAS YLDHRPPTTI DATA SEQUENCE KPVNAEVAAL QQQTADLFYE NRLVPKKVDI RQRIWQXXXX XXXXXXXXXX DATA SEQUENCE XXXNLYFQ 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 25 S HA 0.000 nan 4.470 nan 0.000 0.327 25 S C 0.000 174.266 174.600 -0.557 0.000 1.055 25 S CA 0.000 57.903 58.200 -0.495 0.000 1.107 25 S CB 0.000 63.029 63.200 -0.286 0.000 0.593 26 P HA 0.381 nan 4.420 nan 0.000 0.277 26 P C 0.777 177.891 177.300 -0.309 0.000 1.276 26 P CA -0.326 62.474 63.100 -0.499 0.000 0.788 26 P CB 0.628 32.001 31.700 -0.546 0.000 1.114 27 E N -0.209 119.890 120.200 -0.168 0.000 2.072 27 E HA 0.017 4.367 4.350 0.000 0.000 0.191 27 E C 0.209 176.777 176.600 -0.053 0.000 0.985 27 E CA 0.745 57.093 56.400 -0.087 0.000 0.801 27 E CB -0.112 29.558 29.700 -0.050 0.000 0.750 27 E HN 0.576 nan 8.360 nan 0.000 0.452 28 A N 0.147 122.953 122.820 -0.024 0.000 2.498 28 A HA 0.608 4.928 4.320 0.000 0.000 0.298 28 A C -1.745 175.875 177.584 0.059 0.000 1.075 28 A CA -0.718 51.324 52.037 0.008 0.000 0.714 28 A CB 1.712 20.717 19.000 0.008 0.000 1.299 28 A HN 0.181 nan 8.150 nan 0.000 0.407 29 L N 1.217 122.458 121.223 0.031 0.000 2.446 29 L HA 0.623 4.963 4.340 0.000 0.000 0.268 29 L C -0.693 176.110 176.870 -0.113 0.000 0.975 29 L CA -0.109 54.744 54.840 0.021 0.000 0.848 29 L CB 1.346 43.491 42.059 0.144 0.000 1.225 29 L HN 0.712 nan 8.230 nan 0.000 0.410 30 R N 5.999 126.408 120.500 -0.152 0.000 2.265 30 R HA 0.670 5.010 4.340 0.000 0.000 0.328 30 R C -0.978 175.249 176.300 -0.122 0.000 0.969 30 R CA -0.424 55.599 56.100 -0.128 0.000 0.832 30 R CB 1.382 31.638 30.300 -0.072 0.000 1.139 30 R HN 0.590 nan 8.270 nan 0.000 0.457 31 I N 1.667 122.154 120.570 -0.138 0.000 2.378 31 I HA 0.334 4.504 4.170 0.000 0.000 0.291 31 I C 0.681 176.941 176.117 0.239 0.000 0.992 31 I CA -0.698 60.577 61.300 -0.043 0.000 1.154 31 I CB 2.115 39.902 38.000 -0.355 0.000 1.315 31 I HN 0.637 nan 8.210 nan 0.000 0.448 32 G N 5.984 114.962 108.800 0.296 0.000 2.325 32 G HA2 0.488 4.448 3.960 0.000 0.000 0.298 32 G HA3 0.488 4.448 3.960 0.000 0.000 0.298 32 G C -1.063 174.124 174.900 0.479 0.000 1.134 32 G CA -0.180 45.219 45.100 0.497 0.000 0.876 32 G HN 0.643 nan 8.290 nan 0.000 0.452 33 Y N -0.131 120.389 120.300 0.367 0.000 2.633 33 Y HA 0.789 5.339 4.550 0.000 0.000 0.339 33 Y C -0.186 175.843 175.900 0.216 0.000 1.045 33 Y CA -1.424 56.822 58.100 0.243 0.000 1.098 33 Y CB 1.438 40.048 38.460 0.251 0.000 1.296 33 Y HN 0.451 nan 8.280 nan 0.000 0.494 34 Q N 0.878 120.780 119.800 0.171 0.000 2.416 34 Q HA 0.385 4.725 4.340 0.000 0.000 0.279 34 Q C 0.145 176.252 176.000 0.178 0.000 1.101 34 Q CA -1.199 54.635 55.803 0.052 0.000 0.830 34 Q CB 2.777 31.567 28.738 0.088 0.000 1.402 34 Q HN 0.742 nan 8.270 nan 0.000 0.445 35 K N 0.412 120.886 120.400 0.124 0.000 2.152 35 K HA -0.122 4.198 4.320 0.000 0.000 0.206 35 K C 1.399 178.125 176.600 0.209 0.000 1.048 35 K CA 1.506 57.908 56.287 0.191 0.000 0.933 35 K CB -0.134 32.469 32.500 0.172 0.000 0.721 35 K HN 0.792 nan 8.250 nan 0.000 0.447 36 G N 0.262 109.199 108.800 0.229 0.000 3.233 36 G HA2 -0.032 3.928 3.960 0.000 0.000 0.227 36 G HA3 -0.032 3.928 3.960 0.000 0.000 0.227 36 G C -0.020 175.008 174.900 0.214 0.000 1.175 36 G CA -0.260 44.978 45.100 0.231 0.000 0.781 36 G HN 0.010 nan 8.290 nan 0.000 0.542 37 S N 1.682 117.490 115.700 0.181 0.000 3.530 37 S HA 0.158 4.628 4.470 0.000 0.000 0.279 37 S C 1.548 176.211 174.600 0.105 0.000 1.280 37 S CA -0.669 57.607 58.200 0.127 0.000 0.946 37 S CB 0.251 63.534 63.200 0.138 0.000 1.501 37 S HN 0.115 nan 8.310 nan 0.000 0.498 38 I N 2.681 123.328 120.570 0.129 0.000 2.127 38 I HA -0.128 4.042 4.170 0.000 0.000 0.241 38 I C 2.582 178.745 176.117 0.076 0.000 1.075 38 I CA 1.431 62.804 61.300 0.123 0.000 1.334 38 I CB -1.814 36.283 38.000 0.162 0.000 1.040 38 I HN 0.614 nan 8.210 nan 0.000 0.405 39 G N 0.225 109.078 108.800 0.088 0.000 2.440 39 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 39 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 39 G C 1.770 176.664 174.900 -0.011 0.000 1.154 39 G CA 0.673 45.835 45.100 0.103 0.000 0.767 39 G HN 0.278 nan 8.290 nan 0.000 0.552 40 M N -0.130 119.332 119.600 -0.230 0.000 2.132 40 M HA -0.038 4.442 4.480 0.000 0.000 0.263 40 M C 2.708 178.844 176.300 -0.273 0.000 1.065 40 M CA 0.880 55.967 55.300 -0.356 0.000 1.122 40 M CB -0.305 32.136 32.600 -0.264 0.000 1.365 40 M HN 0.109 nan 8.290 nan 0.000 0.411 41 V N 0.819 120.606 119.914 -0.212 0.000 2.295 41 V HA -0.255 3.865 4.120 0.000 0.000 0.246 41 V C 2.266 178.222 176.094 -0.230 0.000 1.049 41 V CA 1.640 63.766 62.300 -0.290 0.000 1.024 41 V CB -0.555 31.214 31.823 -0.090 0.000 0.648 41 V HN 0.453 nan 8.190 nan 0.000 0.447 42 L N -0.221 120.965 121.223 -0.060 0.000 2.093 42 L HA -0.102 4.238 4.340 0.000 0.000 0.208 42 L C 2.688 179.630 176.870 0.119 0.000 1.085 42 L CA 1.352 56.231 54.840 0.066 0.000 0.755 42 L CB -0.715 41.427 42.059 0.137 0.000 0.904 42 L HN 0.359 nan 8.230 nan 0.000 0.435 43 A N 0.070 122.952 122.820 0.103 0.000 1.902 43 A HA -0.250 4.070 4.320 0.000 0.000 0.217 43 A C 2.392 180.010 177.584 0.057 0.000 1.181 43 A CA 1.872 54.037 52.037 0.214 0.000 0.623 43 A CB -0.411 18.904 19.000 0.525 0.000 0.818 43 A HN 0.309 nan 8.150 nan 0.000 0.443 44 K N -0.357 119.810 120.400 -0.389 0.000 2.026 44 K HA -0.157 4.163 4.320 0.000 0.000 0.208 44 K C 2.381 178.716 176.600 -0.442 0.000 1.048 44 K CA 1.657 57.423 56.287 -0.868 0.000 0.929 44 K CB -0.277 31.141 32.500 -1.802 0.000 0.713 44 K HN 0.417 nan 8.250 nan 0.000 0.439 45 S N -0.075 115.412 115.700 -0.354 0.000 2.370 45 S HA -0.161 4.309 4.470 0.000 0.000 0.226 45 S C 1.671 176.104 174.600 -0.279 0.000 1.033 45 S CA 1.043 59.050 58.200 -0.320 0.000 1.011 45 S CB -0.308 62.681 63.200 -0.351 0.000 0.852 45 S HN 0.444 nan 8.310 nan 0.000 0.457 46 H N 0.519 119.546 119.070 -0.073 0.000 2.539 46 H HA 0.237 4.793 4.556 0.000 0.000 0.267 46 H C 0.435 175.767 175.328 0.007 0.000 0.982 46 H CA 0.692 56.726 56.048 -0.023 0.000 1.146 46 H CB 0.014 29.772 29.762 -0.006 0.000 1.382 46 H HN 0.558 nan 8.280 nan 0.000 0.577 47 Q N -0.079 119.781 119.800 0.101 0.000 2.494 47 Q HA -0.195 4.145 4.340 0.000 0.000 0.272 47 Q C 1.176 177.276 176.000 0.166 0.000 1.145 47 Q CA 0.192 56.074 55.803 0.132 0.000 0.943 47 Q CB -1.730 27.066 28.738 0.095 0.000 1.338 47 Q HN 0.452 nan 8.270 nan 0.000 0.492 48 L N -0.579 120.757 121.223 0.188 0.000 2.093 48 L HA -0.174 4.166 4.340 0.000 0.000 0.208 48 L C 2.153 179.102 176.870 0.132 0.000 1.085 48 L CA 1.492 56.413 54.840 0.135 0.000 0.755 48 L CB -0.321 41.814 42.059 0.126 0.000 0.904 48 L HN 0.374 nan 8.230 nan 0.000 0.435 49 L N -0.680 120.690 121.223 0.245 0.000 2.109 49 L HA -0.155 4.185 4.340 0.000 0.000 0.207 49 L C 2.440 179.469 176.870 0.265 0.000 1.086 49 L CA 0.849 55.855 54.840 0.277 0.000 0.760 49 L CB -0.384 41.876 42.059 0.335 0.000 0.910 49 L HN 0.183 nan 8.230 nan 0.000 0.437 50 E N 0.407 120.753 120.200 0.243 0.000 2.106 50 E HA -0.181 4.169 4.350 0.000 0.000 0.192 50 E C 2.126 178.800 176.600 0.124 0.000 0.984 50 E CA 1.096 57.613 56.400 0.195 0.000 0.806 50 E CB -0.006 29.807 29.700 0.189 0.000 0.750 50 E HN 0.338 nan 8.360 nan 0.000 0.458 51 K N -0.083 120.368 120.400 0.086 0.000 2.116 51 K HA -0.005 4.315 4.320 0.000 0.000 0.203 51 K C 2.229 178.805 176.600 -0.041 0.000 1.052 51 K CA 0.784 57.088 56.287 0.029 0.000 0.952 51 K CB 0.013 32.528 32.500 0.023 0.000 0.729 51 K HN -0.067 nan 8.250 nan 0.000 0.446 52 R N -0.051 120.375 120.500 -0.123 0.000 2.090 52 R HA -0.069 4.271 4.340 0.000 0.000 0.228 52 R C 0.088 176.109 176.300 -0.465 0.000 1.110 52 R CA 1.207 57.069 56.100 -0.397 0.000 0.973 52 R CB 0.271 30.153 30.300 -0.696 0.000 0.869 52 R HN 0.107 nan 8.270 nan 0.000 0.440 53 Y N -0.018 120.330 120.300 0.080 0.000 2.562 53 Y HA 0.325 4.875 4.550 0.000 0.000 0.363 53 Y C -1.901 174.048 175.900 0.080 0.000 0.991 53 Y CA -2.618 55.546 58.100 0.107 0.000 1.121 53 Y CB 1.519 40.102 38.460 0.206 0.000 1.159 53 Y HN 0.121 nan 8.280 nan 0.000 0.651 54 P HA -0.117 nan 4.420 nan 0.000 0.226 54 P C 0.305 177.663 177.300 0.096 0.000 1.153 54 P CA 1.262 64.427 63.100 0.107 0.000 0.777 54 P CB 0.516 32.255 31.700 0.065 0.000 0.794 55 E N -0.398 119.863 120.200 0.101 0.000 2.465 55 E HA 0.111 4.461 4.350 0.000 0.000 0.191 55 E C 0.020 176.638 176.600 0.030 0.000 1.053 55 E CA -0.042 56.391 56.400 0.056 0.000 0.869 55 E CB 0.189 29.911 29.700 0.037 0.000 0.977 55 E HN 0.204 nan 8.360 nan 0.000 0.483 56 S N 1.053 116.789 115.700 0.060 0.000 2.501 56 S HA 0.244 4.714 4.470 0.000 0.000 0.301 56 S C -0.275 174.355 174.600 0.051 0.000 1.096 56 S CA -0.865 57.344 58.200 0.014 0.000 1.063 56 S CB 1.813 65.015 63.200 0.004 0.000 1.042 56 S HN 0.055 nan 8.310 nan 0.000 0.494 57 K N 3.508 123.923 120.400 0.026 0.000 2.292 57 K HA 0.214 4.534 4.320 0.000 0.000 0.290 57 K C -0.626 175.991 176.600 0.029 0.000 1.083 57 K CA -0.368 55.942 56.287 0.037 0.000 0.918 57 K CB 0.024 32.539 32.500 0.025 0.000 1.089 57 K HN 0.461 nan 8.250 nan 0.000 0.473 58 I N 3.931 124.528 120.570 0.046 0.000 2.371 58 I HA 0.113 4.283 4.170 0.000 0.000 0.290 58 I C 0.429 176.517 176.117 -0.048 0.000 1.028 58 I CA -0.167 61.116 61.300 -0.028 0.000 1.345 58 I CB 0.677 38.693 38.000 0.026 0.000 1.407 58 I HN 0.653 nan 8.210 nan 0.000 0.501 59 S N 4.984 120.588 115.700 -0.161 0.000 2.632 59 S HA 0.760 5.230 4.470 0.000 0.000 0.289 59 S C -1.619 172.856 174.600 -0.208 0.000 1.115 59 S CA -0.814 57.351 58.200 -0.057 0.000 0.889 59 S CB 1.930 65.151 63.200 0.035 0.000 1.116 59 S HN 0.497 nan 8.310 nan 0.000 0.486 60 W N 0.380 121.753 121.300 0.123 0.000 2.739 60 W HA 0.668 5.328 4.660 0.000 0.000 0.331 60 W C -1.402 175.259 176.519 0.237 0.000 1.049 60 W CA -0.722 56.742 57.345 0.197 0.000 1.234 60 W CB 2.202 31.735 29.460 0.121 0.000 1.404 60 W HN 0.586 nan 8.180 nan 0.000 0.477 61 V N 2.305 122.508 119.914 0.481 0.000 2.483 61 V HA 0.259 4.379 4.120 0.000 0.000 0.297 61 V C -0.266 175.723 176.094 -0.175 0.000 1.027 61 V CA -1.209 61.156 62.300 0.109 0.000 0.855 61 V CB 1.513 33.330 31.823 -0.010 0.000 0.995 61 V HN 0.555 nan 8.190 nan 0.000 0.424 62 E N 3.544 123.436 120.200 -0.513 0.000 2.283 62 E HA 0.531 4.881 4.350 0.000 0.000 0.278 62 E C -1.611 174.513 176.600 -0.795 0.000 1.027 62 E CA -0.349 55.509 56.400 -0.903 0.000 0.843 62 E CB 0.907 30.141 29.700 -0.777 0.000 1.062 62 E HN 0.494 nan 8.360 nan 0.000 0.401 63 F N 3.944 123.716 119.950 -0.298 0.000 2.538 63 F HA 0.332 4.859 4.527 0.000 0.000 0.325 63 F C -1.369 174.348 175.800 -0.138 0.000 1.066 63 F CA -2.004 55.901 58.000 -0.159 0.000 0.946 63 F CB 1.699 40.635 39.000 -0.106 0.000 1.199 63 F HN 0.428 nan 8.300 nan 0.000 0.473 64 P HA 0.140 nan 4.420 nan 0.000 0.227 64 P C -0.416 176.917 177.300 0.055 0.000 1.161 64 P CA 0.821 63.939 63.100 0.031 0.000 0.788 64 P CB 0.630 32.347 31.700 0.028 0.000 0.822 65 A N -1.456 121.410 122.820 0.076 0.000 2.586 65 A HA 0.542 4.862 4.320 0.000 0.000 0.291 65 A C 1.217 178.793 177.584 -0.015 0.000 1.062 65 A CA -0.044 52.008 52.037 0.027 0.000 0.666 65 A CB 0.080 19.089 19.000 0.015 0.000 1.281 65 A HN -0.023 nan 8.150 nan 0.000 0.421 66 G N 0.235 108.999 108.800 -0.060 0.000 2.440 66 G HA2 -0.036 3.924 3.960 0.000 0.000 0.218 66 G HA3 -0.036 3.924 3.960 0.000 0.000 0.218 66 G C -0.679 174.140 174.900 -0.135 0.000 1.154 66 G CA 1.880 46.918 45.100 -0.103 0.000 0.767 66 G HN 0.556 nan 8.290 nan 0.000 0.552 67 P HA -0.109 nan 4.420 nan 0.000 0.215 67 P C 1.820 179.044 177.300 -0.127 0.000 1.157 67 P CA 1.432 64.461 63.100 -0.119 0.000 0.868 67 P CB -0.024 31.600 31.700 -0.126 0.000 0.788 68 Q N -1.446 118.299 119.800 -0.093 0.000 2.084 68 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 68 Q C 2.227 178.023 176.000 -0.341 0.000 0.978 68 Q CA 1.486 57.249 55.803 -0.066 0.000 0.844 68 Q CB -0.918 27.890 28.738 0.117 0.000 0.898 68 Q HN 0.253 nan 8.270 nan 0.000 0.426 69 M N -0.185 119.035 119.600 -0.634 0.000 2.117 69 M HA -0.170 4.310 4.480 0.000 0.000 0.262 69 M C 1.568 177.463 176.300 -0.676 0.000 1.065 69 M CA 1.517 56.034 55.300 -1.305 0.000 1.114 69 M CB -0.008 32.076 32.600 -0.860 0.000 1.361 69 M HN 0.267 nan 8.290 nan 0.000 0.408 70 L N -0.227 120.774 121.223 -0.369 0.000 2.141 70 L HA -0.193 4.147 4.340 0.000 0.000 0.209 70 L C 2.478 179.237 176.870 -0.186 0.000 1.094 70 L CA 1.339 56.037 54.840 -0.236 0.000 0.763 70 L CB -0.867 41.097 42.059 -0.160 0.000 0.908 70 L HN 0.461 nan 8.230 nan 0.000 0.437 71 E N 0.687 120.786 120.200 -0.169 0.000 2.077 71 E HA -0.253 4.097 4.350 0.000 0.000 0.193 71 E C 2.217 178.761 176.600 -0.094 0.000 0.989 71 E CA 1.264 57.604 56.400 -0.100 0.000 0.800 71 E CB 0.058 29.722 29.700 -0.059 0.000 0.746 71 E HN 0.474 nan 8.360 nan 0.000 0.452 72 A N 0.955 123.688 122.820 -0.145 0.000 1.930 72 A HA -0.145 4.175 4.320 0.000 0.000 0.217 72 A C 2.109 179.643 177.584 -0.084 0.000 1.175 72 A CA 1.004 53.002 52.037 -0.066 0.000 0.627 72 A CB -0.561 18.444 19.000 0.008 0.000 0.815 72 A HN 0.352 nan 8.150 nan 0.000 0.443 73 L N 0.549 121.679 121.223 -0.155 0.000 2.083 73 L HA -0.154 4.186 4.340 0.000 0.000 0.209 73 L C 2.025 178.843 176.870 -0.086 0.000 1.083 73 L CA 2.114 56.880 54.840 -0.124 0.000 0.752 73 L CB -0.597 41.370 42.059 -0.153 0.000 0.899 73 L HN 0.548 nan 8.230 nan 0.000 0.433 74 N N -0.889 117.763 118.700 -0.080 0.000 2.409 74 N HA -0.096 4.644 4.740 0.000 0.000 0.179 74 N C 1.543 177.033 175.510 -0.034 0.000 1.032 74 N CA 1.186 54.204 53.050 -0.055 0.000 0.898 74 N CB 0.350 38.805 38.487 -0.053 0.000 0.971 74 N HN 0.399 nan 8.380 nan 0.000 0.441 75 V N -3.450 116.447 119.914 -0.028 0.000 3.649 75 V HA 0.426 4.546 4.120 0.000 0.000 0.275 75 V C 1.101 177.189 176.094 -0.010 0.000 1.281 75 V CA 0.601 62.894 62.300 -0.012 0.000 1.143 75 V CB -0.071 31.750 31.823 -0.002 0.000 0.892 75 V HN 0.203 nan 8.190 nan 0.000 0.441 76 G N 1.342 110.129 108.800 -0.022 0.000 2.136 76 G HA2 -0.297 3.663 3.960 0.000 0.000 0.242 76 G HA3 -0.297 3.663 3.960 0.000 0.000 0.242 76 G C 0.890 175.778 174.900 -0.020 0.000 0.989 76 G CA 1.023 46.108 45.100 -0.024 0.000 0.682 76 G HN 1.336 nan 8.290 nan 0.000 0.522 77 S N -0.778 114.920 115.700 -0.003 0.000 2.528 77 S HA 0.516 4.986 4.470 0.000 0.000 0.219 77 S C 1.096 175.709 174.600 0.022 0.000 0.985 77 S CA 0.768 58.979 58.200 0.019 0.000 0.914 77 S CB -0.125 63.107 63.200 0.053 0.000 0.776 77 S HN 1.546 nan 8.310 nan 0.000 0.526 78 I N -2.570 117.998 120.570 -0.003 0.000 3.002 78 I HA 0.611 4.781 4.170 0.000 0.000 0.310 78 I C -0.435 175.593 176.117 -0.148 0.000 1.087 78 I CA -1.009 60.271 61.300 -0.034 0.000 1.017 78 I CB 1.731 39.764 38.000 0.056 0.000 1.226 78 I HN -0.277 nan 8.210 nan 0.000 0.443 79 D N 1.594 121.843 120.400 -0.251 0.000 2.422 79 D HA 0.271 4.911 4.640 0.000 0.000 0.218 79 D C -0.188 175.911 176.300 -0.335 0.000 1.047 79 D CA 0.865 54.560 54.000 -0.508 0.000 0.885 79 D CB 1.587 41.770 40.800 -1.029 0.000 1.035 79 D HN 0.353 nan 8.370 nan 0.000 0.502 80 L N 0.059 121.188 121.223 -0.156 0.000 2.505 80 L HA 0.643 4.983 4.340 0.000 0.000 0.259 80 L C -1.153 175.752 176.870 0.059 0.000 0.952 80 L CA -0.301 54.530 54.840 -0.015 0.000 0.840 80 L CB 2.368 44.452 42.059 0.042 0.000 1.358 80 L HN -0.040 nan 8.230 nan 0.000 0.409 81 G N 0.927 109.780 108.800 0.089 0.000 2.690 81 G HA2 0.570 4.530 3.960 0.000 0.000 0.293 81 G HA3 0.570 4.530 3.960 0.000 0.000 0.293 81 G C -1.917 173.018 174.900 0.058 0.000 1.399 81 G CA -0.314 44.828 45.100 0.070 0.000 0.890 81 G HN 0.699 nan 8.290 nan 0.000 0.485 82 S N -0.582 115.108 115.700 -0.017 0.000 2.454 82 S HA 0.821 5.291 4.470 0.000 0.000 0.306 82 S C -0.281 174.231 174.600 -0.146 0.000 1.100 82 S CA -0.049 58.012 58.200 -0.233 0.000 1.087 82 S CB 1.846 64.890 63.200 -0.259 0.000 1.019 82 S HN 1.185 nan 8.310 nan 0.000 0.480 83 T N 2.519 116.986 114.554 -0.145 0.000 2.792 83 T HA 0.684 5.035 4.350 0.000 0.000 0.303 83 T C 0.388 175.071 174.700 -0.027 0.000 1.310 83 T CA 0.001 62.058 62.100 -0.071 0.000 1.007 83 T CB 0.880 69.714 68.868 -0.057 0.000 1.335 83 T HN 0.940 nan 8.240 nan 0.000 0.504 84 G N 0.410 109.196 108.800 -0.024 0.000 2.535 84 G HA2 0.335 4.295 3.960 0.000 0.000 0.282 84 G HA3 0.335 4.295 3.960 0.000 0.000 0.282 84 G C 0.735 175.729 174.900 0.157 0.000 1.350 84 G CA 0.316 45.417 45.100 0.003 0.000 1.039 84 G HN 0.845 nan 8.290 nan 0.000 0.509 85 D N -1.121 119.370 120.400 0.152 0.000 2.269 85 D HA -0.117 4.523 4.640 0.000 0.000 0.208 85 D C 2.027 178.400 176.300 0.121 0.000 0.963 85 D CA 0.542 54.729 54.000 0.313 0.000 0.864 85 D CB 0.035 40.978 40.800 0.240 0.000 0.936 85 D HN 0.182 nan 8.370 nan 0.000 0.505 86 I N 0.990 121.575 120.570 0.025 0.000 2.339 86 I HA -0.008 4.162 4.170 0.000 0.000 0.245 86 I C -0.551 175.629 176.117 0.105 0.000 1.096 86 I CA 0.028 61.304 61.300 -0.040 0.000 1.408 86 I CB -2.236 35.757 38.000 -0.011 0.000 1.092 86 I HN -0.029 nan 8.210 nan 0.000 0.423 87 P HA -0.094 nan 4.420 nan 0.000 0.216 87 P C -1.313 176.038 177.300 0.085 0.000 1.150 87 P CA 1.937 65.086 63.100 0.082 0.000 0.843 87 P CB -1.170 30.513 31.700 -0.029 0.000 0.787 88 P HA -0.111 nan 4.420 nan 0.000 0.218 88 P C 1.502 178.778 177.300 -0.039 0.000 1.149 88 P CA 1.154 64.209 63.100 -0.076 0.000 0.817 88 P CB -0.495 31.111 31.700 -0.156 0.000 0.785 89 I N -2.096 118.467 120.570 -0.012 0.000 2.163 89 I HA -0.271 3.899 4.170 0.000 0.000 0.243 89 I C 2.086 178.148 176.117 -0.093 0.000 1.085 89 I CA 1.618 62.863 61.300 -0.092 0.000 1.347 89 I CB -0.745 37.109 38.000 -0.244 0.000 1.044 89 I HN -0.132 nan 8.210 nan 0.000 0.408 90 F N 0.889 120.806 119.950 -0.054 0.000 2.126 90 F HA -0.248 4.279 4.527 0.000 0.000 0.299 90 F C 2.590 178.373 175.800 -0.030 0.000 1.096 90 F CA 1.556 59.549 58.000 -0.013 0.000 1.255 90 F CB -0.581 38.420 39.000 0.000 0.000 0.997 90 F HN 0.021 nan 8.300 nan 0.000 0.479 91 A N -0.507 122.383 122.820 0.115 0.000 1.897 91 A HA -0.167 4.153 4.320 0.000 0.000 0.215 91 A C 2.067 179.643 177.584 -0.014 0.000 1.181 91 A CA 1.263 53.317 52.037 0.029 0.000 0.620 91 A CB -0.638 18.345 19.000 -0.029 0.000 0.821 91 A HN 0.441 nan 8.150 nan 0.000 0.443 92 Q N -0.440 119.334 119.800 -0.043 0.000 2.172 92 Q HA 0.032 4.372 4.340 0.000 0.000 0.200 92 Q C 2.266 178.242 176.000 -0.040 0.000 0.964 92 Q CA 1.039 56.809 55.803 -0.056 0.000 0.855 92 Q CB -0.364 28.330 28.738 -0.074 0.000 0.918 92 Q HN 0.645 nan 8.270 nan 0.000 0.444 93 A N 1.210 124.006 122.820 -0.039 0.000 2.019 93 A HA -0.053 4.267 4.320 0.000 0.000 0.219 93 A C 2.105 179.684 177.584 -0.008 0.000 1.164 93 A CA 1.490 53.505 52.037 -0.036 0.000 0.644 93 A CB -0.428 18.538 19.000 -0.058 0.000 0.805 93 A HN 0.356 nan 8.150 nan 0.000 0.449 94 A N -2.100 120.725 122.820 0.009 0.000 2.307 94 A HA 0.448 4.768 4.320 0.000 0.000 0.218 94 A C 1.597 179.182 177.584 0.001 0.000 1.228 94 A CA 1.066 53.113 52.037 0.017 0.000 0.857 94 A CB -0.709 18.313 19.000 0.038 0.000 0.897 94 A HN 1.806 nan 8.150 nan 0.000 0.495 95 G N -1.920 106.873 108.800 -0.012 0.000 2.159 95 G HA2 0.124 4.084 3.960 0.000 0.000 0.227 95 G HA3 0.124 4.084 3.960 0.000 0.000 0.227 95 G C 0.405 175.291 174.900 -0.023 0.000 0.986 95 G CA 0.058 45.148 45.100 -0.017 0.000 0.651 95 G HN 1.557 nan 8.290 nan 0.000 0.523 96 A N 0.313 123.116 122.820 -0.029 0.000 2.488 96 A HA 0.492 4.812 4.320 0.000 0.000 0.249 96 A C 0.440 177.993 177.584 -0.052 0.000 1.083 96 A CA 0.716 52.728 52.037 -0.041 0.000 0.768 96 A CB 0.363 19.331 19.000 -0.053 0.000 1.017 96 A HN 0.311 nan 8.150 nan 0.000 0.496 97 D N 2.907 123.282 120.400 -0.042 0.000 2.741 97 D HA 0.361 5.001 4.640 0.000 0.000 0.233 97 D C -0.552 175.719 176.300 -0.049 0.000 1.160 97 D CA 0.188 54.167 54.000 -0.036 0.000 1.003 97 D CB -0.512 40.279 40.800 -0.015 0.000 1.064 97 D HN 0.434 nan 8.370 nan 0.000 0.503 98 L N 1.490 122.656 121.223 -0.096 0.000 2.317 98 L HA 0.507 4.847 4.340 0.000 0.000 0.281 98 L C 0.209 176.969 176.870 -0.183 0.000 1.024 98 L CA -1.301 53.458 54.840 -0.134 0.000 0.810 98 L CB 1.807 43.755 42.059 -0.184 0.000 1.240 98 L HN -0.047 nan 8.230 nan 0.000 0.427 99 V N -0.583 119.262 119.914 -0.115 0.000 2.630 99 V HA 0.457 4.577 4.120 0.000 0.000 0.305 99 V C -0.812 175.231 176.094 -0.085 0.000 1.046 99 V CA -0.851 61.417 62.300 -0.054 0.000 0.934 99 V CB 1.269 33.170 31.823 0.130 0.000 1.003 99 V HN 0.456 nan 8.190 nan 0.000 0.451 100 Y N 2.909 123.232 120.300 0.039 0.000 2.436 100 Y HA 0.442 4.992 4.550 0.000 0.000 0.343 100 Y C 1.267 177.281 175.900 0.190 0.000 1.008 100 Y CA 0.029 58.162 58.100 0.056 0.000 1.241 100 Y CB 1.424 39.841 38.460 -0.072 0.000 1.153 100 Y HN 0.627 nan 8.280 nan 0.000 0.521 101 V N 0.204 120.302 119.914 0.306 0.000 3.660 101 V HA 0.631 4.751 4.120 0.000 0.000 0.276 101 V C 0.701 176.934 176.094 0.232 0.000 1.317 101 V CA 0.559 62.974 62.300 0.193 0.000 1.097 101 V CB 0.006 31.775 31.823 -0.090 0.000 0.863 101 V HN 0.762 nan 8.190 nan 0.000 0.438 102 G N -1.060 107.969 108.800 0.382 0.000 2.667 102 G HA2 0.565 4.525 3.960 0.000 0.000 0.294 102 G HA3 0.565 4.525 3.960 0.000 0.000 0.294 102 G C -2.044 173.165 174.900 0.515 0.000 1.467 102 G CA 0.016 45.341 45.100 0.375 0.000 0.852 102 G HN 0.595 nan 8.290 nan 0.000 0.521 103 V N -0.045 120.065 119.914 0.327 0.000 3.049 103 V HA 0.764 4.884 4.120 0.000 0.000 0.309 103 V C -0.896 175.241 176.094 0.071 0.000 1.148 103 V CA -0.763 61.612 62.300 0.126 0.000 0.990 103 V CB 2.175 33.981 31.823 -0.028 0.000 1.039 103 V HN 0.873 nan 8.190 nan 0.000 0.430 104 E N 4.865 125.051 120.200 -0.024 0.000 2.222 104 E HA 0.512 4.862 4.350 0.000 0.000 0.267 104 E C -2.635 173.925 176.600 -0.067 0.000 0.963 104 E CA -2.048 54.358 56.400 0.010 0.000 0.837 104 E CB 1.839 31.568 29.700 0.048 0.000 1.183 104 E HN 0.517 nan 8.360 nan 0.000 0.403 105 P HA 0.037 nan 4.420 nan 0.000 0.268 105 P C -2.449 174.811 177.300 -0.067 0.000 1.208 105 P CA -0.905 62.169 63.100 -0.045 0.000 0.777 105 P CB -0.280 31.408 31.700 -0.020 0.000 0.875 106 P HA 0.105 nan 4.420 nan 0.000 0.272 106 P C -0.692 176.583 177.300 -0.043 0.000 1.230 106 P CA 0.102 63.162 63.100 -0.067 0.000 0.788 106 P CB 0.633 32.299 31.700 -0.056 0.000 0.949 107 K N 2.384 122.762 120.400 -0.036 0.000 2.682 107 K HA 0.223 4.543 4.320 0.000 0.000 0.189 107 K C -1.705 174.886 176.600 -0.014 0.000 1.062 107 K CA -1.473 54.801 56.287 -0.022 0.000 0.997 107 K CB 1.071 33.556 32.500 -0.026 0.000 1.405 107 K HN 0.335 nan 8.250 nan 0.000 0.588 108 P HA -0.183 nan 4.420 nan 0.000 0.219 108 P C 0.494 177.767 177.300 -0.046 0.000 1.146 108 P CA 1.054 64.136 63.100 -0.030 0.000 0.808 108 P CB 0.347 32.031 31.700 -0.027 0.000 0.779 109 K N -0.427 119.957 120.400 -0.027 0.000 2.525 109 K HA 0.177 4.497 4.320 0.000 0.000 0.192 109 K C 1.721 178.278 176.600 -0.071 0.000 1.029 109 K CA 0.517 56.772 56.287 -0.053 0.000 1.029 109 K CB -0.418 32.090 32.500 0.014 0.000 0.814 109 K HN 0.134 nan 8.250 nan 0.000 0.503 110 A N 0.429 123.252 122.820 0.004 0.000 2.303 110 A HA 0.102 4.422 4.320 0.000 0.000 0.217 110 A C 0.268 177.915 177.584 0.105 0.000 1.205 110 A CA -0.006 52.103 52.037 0.120 0.000 0.875 110 A CB 0.327 19.386 19.000 0.098 0.000 0.910 110 A HN 0.184 nan 8.150 nan 0.000 0.501 111 E N 0.005 120.183 120.200 -0.036 0.000 2.256 111 E HA 0.522 4.872 4.350 0.000 0.000 0.268 111 E C -1.127 175.340 176.600 -0.221 0.000 0.877 111 E CA -0.502 55.863 56.400 -0.058 0.000 0.757 111 E CB 2.190 31.916 29.700 0.044 0.000 1.183 111 E HN 0.302 nan 8.360 nan 0.000 0.418 112 V N 0.901 120.619 119.914 -0.326 0.000 3.188 112 V HA 0.632 4.752 4.120 0.000 0.000 0.305 112 V C -0.861 175.038 176.094 -0.324 0.000 1.232 112 V CA -0.972 61.076 62.300 -0.420 0.000 1.043 112 V CB 1.738 33.078 31.823 -0.805 0.000 1.068 112 V HN 0.631 nan 8.190 nan 0.000 0.439 113 I N 2.618 123.035 120.570 -0.256 0.000 2.355 113 I HA 0.484 4.654 4.170 0.000 0.000 0.288 113 I C -0.566 175.444 176.117 -0.180 0.000 0.999 113 I CA -0.435 60.742 61.300 -0.206 0.000 1.163 113 I CB 1.538 39.459 38.000 -0.131 0.000 1.316 113 I HN 0.450 nan 8.210 nan 0.000 0.454 114 L N 7.180 128.292 121.223 -0.186 0.000 2.325 114 L HA 0.684 5.024 4.340 0.000 0.000 0.279 114 L C 0.015 176.955 176.870 0.115 0.000 1.054 114 L CA -0.812 54.016 54.840 -0.020 0.000 0.804 114 L CB 1.604 43.708 42.059 0.076 0.000 1.200 114 L HN 0.425 nan 8.230 nan 0.000 0.436 115 V N -0.503 119.580 119.914 0.280 0.000 3.158 115 V HA 0.875 4.995 4.120 0.000 0.000 0.311 115 V C 0.046 176.341 176.094 0.336 0.000 1.181 115 V CA -1.049 61.473 62.300 0.370 0.000 1.054 115 V CB 1.584 33.488 31.823 0.134 0.000 1.085 115 V HN 0.815 nan 8.190 nan 0.000 0.446 116 A N 0.151 123.071 122.820 0.168 0.000 2.445 116 A HA 0.432 4.752 4.320 0.000 0.000 0.242 116 A C 1.113 178.723 177.584 0.043 0.000 1.075 116 A CA 0.623 52.673 52.037 0.020 0.000 0.777 116 A CB 0.159 19.124 19.000 -0.058 0.000 1.013 116 A HN 1.189 nan 8.150 nan 0.000 0.493 117 E N 1.467 121.684 120.200 0.028 0.000 2.086 117 E HA -0.259 4.091 4.350 0.000 0.000 0.200 117 E C 1.343 177.957 176.600 0.023 0.000 1.012 117 E CA 2.433 58.852 56.400 0.032 0.000 0.812 117 E CB -0.164 29.550 29.700 0.023 0.000 0.743 117 E HN 0.849 nan 8.360 nan 0.000 0.453 118 N N -0.182 118.525 118.700 0.011 0.000 2.383 118 N HA -0.024 4.716 4.740 0.000 0.000 0.192 118 N C -0.245 175.271 175.510 0.011 0.000 1.141 118 N CA 0.386 53.441 53.050 0.009 0.000 0.851 118 N CB -0.072 38.416 38.487 0.003 0.000 0.976 118 N HN 0.038 nan 8.380 nan 0.000 0.465 119 S N 0.994 116.703 115.700 0.014 0.000 2.562 119 S HA 0.196 4.666 4.470 0.000 0.000 0.281 119 S C -1.532 173.073 174.600 0.009 0.000 1.333 119 S CA -1.026 57.182 58.200 0.013 0.000 1.052 119 S CB 0.756 63.967 63.200 0.018 0.000 0.884 119 S HN 0.113 nan 8.310 nan 0.000 0.506 120 P HA 0.204 nan 4.420 nan 0.000 0.245 120 P C -0.148 177.153 177.300 0.002 0.000 1.212 120 P CA 0.243 63.351 63.100 0.014 0.000 0.774 120 P CB -0.189 31.529 31.700 0.031 0.000 0.999 121 I N 0.768 121.321 120.570 -0.028 0.000 2.494 121 I HA 0.003 4.173 4.170 0.000 0.000 0.289 121 I C 1.442 177.544 176.117 -0.025 0.000 1.106 121 I CA 0.205 61.472 61.300 -0.056 0.000 1.369 121 I CB 0.555 38.470 38.000 -0.142 0.000 1.410 121 I HN -0.178 nan 8.210 nan 0.000 0.523 122 K N 3.580 123.973 120.400 -0.013 0.000 2.350 122 K HA 0.168 4.488 4.320 0.000 0.000 0.196 122 K C 0.725 177.320 176.600 -0.008 0.000 1.084 122 K CA 0.562 56.846 56.287 -0.005 0.000 0.967 122 K CB 0.407 32.909 32.500 0.002 0.000 0.950 122 K HN 0.718 nan 8.250 nan 0.000 0.512 123 T N -2.901 111.647 114.554 -0.009 0.000 2.907 123 T HA 0.364 4.714 4.350 0.000 0.000 0.290 123 T C 1.373 176.064 174.700 -0.015 0.000 1.066 123 T CA -0.761 61.333 62.100 -0.010 0.000 1.012 123 T CB 1.667 70.534 68.868 -0.002 0.000 1.184 123 T HN -0.255 nan 8.240 nan 0.000 0.522 124 V N 1.218 121.123 119.914 -0.015 0.000 2.392 124 V HA -0.110 4.010 4.120 0.000 0.000 0.249 124 V C 3.118 179.211 176.094 -0.001 0.000 1.059 124 V CA 2.420 64.711 62.300 -0.015 0.000 1.051 124 V CB -1.535 30.278 31.823 -0.016 0.000 0.658 124 V HN 1.069 nan 8.190 nan 0.000 0.455 125 A N -0.245 122.578 122.820 0.006 0.000 1.978 125 A HA -0.251 4.070 4.320 0.000 0.000 0.220 125 A C 1.858 179.460 177.584 0.031 0.000 1.170 125 A CA 1.885 53.933 52.037 0.018 0.000 0.636 125 A CB -0.554 18.455 19.000 0.016 0.000 0.810 125 A HN 0.540 nan 8.150 nan 0.000 0.448 126 D N -0.185 120.229 120.400 0.024 0.000 2.378 126 D HA -0.027 4.613 4.640 0.000 0.000 0.222 126 D C 1.430 177.769 176.300 0.066 0.000 0.980 126 D CA 0.532 54.557 54.000 0.042 0.000 0.907 126 D CB -0.163 40.645 40.800 0.012 0.000 0.899 126 D HN 0.505 nan 8.370 nan 0.000 0.527 127 L N 0.133 121.382 121.223 0.044 0.000 2.552 127 L HA 0.007 4.347 4.340 0.000 0.000 0.227 127 L C 1.231 178.228 176.870 0.212 0.000 1.146 127 L CA 0.049 54.940 54.840 0.084 0.000 0.858 127 L CB -0.237 41.829 42.059 0.011 0.000 0.969 127 L HN -0.173 nan 8.230 nan 0.000 0.451 128 K N 1.021 121.507 120.400 0.143 0.000 2.491 128 K HA 0.058 4.378 4.320 0.000 0.000 0.279 128 K C 1.207 177.842 176.600 0.057 0.000 1.026 128 K CA 0.965 57.299 56.287 0.079 0.000 1.070 128 K CB 0.140 32.667 32.500 0.045 0.000 0.887 128 K HN 0.240 nan 8.250 nan 0.000 0.481 129 G N 2.882 111.672 108.800 -0.016 0.000 2.225 129 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 129 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 129 G C -0.323 174.479 174.900 -0.163 0.000 0.988 129 G CA 0.403 45.436 45.100 -0.110 0.000 0.625 129 G HN 0.798 nan 8.290 nan 0.000 0.527 130 H N 0.667 119.721 119.070 -0.026 0.000 2.482 130 H HA 0.587 5.143 4.556 0.000 0.000 0.344 130 H C 0.520 175.830 175.328 -0.030 0.000 1.151 130 H CA -0.196 55.842 56.048 -0.015 0.000 1.300 130 H CB 0.772 30.538 29.762 0.006 0.000 1.494 130 H HN 0.127 nan 8.280 nan 0.000 0.542 131 K N 1.790 122.254 120.400 0.106 0.000 2.349 131 K HA 0.240 4.560 4.320 0.000 0.000 0.288 131 K C -0.914 175.722 176.600 0.060 0.000 1.058 131 K CA -0.257 56.052 56.287 0.037 0.000 0.953 131 K CB 0.763 33.270 32.500 0.011 0.000 0.997 131 K HN 0.216 nan 8.250 nan 0.000 0.477 132 V N 2.737 122.675 119.914 0.041 0.000 2.409 132 V HA 0.357 4.477 4.120 0.000 0.000 0.291 132 V C -0.043 176.133 176.094 0.138 0.000 1.020 132 V CA -1.010 61.340 62.300 0.083 0.000 0.848 132 V CB 1.420 33.293 31.823 0.084 0.000 0.990 132 V HN 0.862 nan 8.190 nan 0.000 0.430 133 A N 5.814 128.701 122.820 0.111 0.000 2.310 133 A HA 1.000 5.320 4.320 0.000 0.000 0.299 133 A C -0.658 177.156 177.584 0.383 0.000 1.147 133 A CA -0.235 51.846 52.037 0.072 0.000 0.818 133 A CB 0.447 19.379 19.000 -0.114 0.000 1.096 133 A HN 1.297 nan 8.150 nan 0.000 0.495 134 F N -1.130 118.874 119.950 0.091 0.000 2.842 134 F HA 0.517 5.044 4.527 0.000 0.000 0.319 134 F C -0.966 174.968 175.800 0.223 0.000 1.159 134 F CA -1.013 57.102 58.000 0.192 0.000 0.902 134 F CB 1.190 40.279 39.000 0.149 0.000 1.311 134 F HN 0.596 nan 8.300 nan 0.000 0.453 135 Q N 2.788 122.823 119.800 0.391 0.000 2.267 135 Q HA 0.269 4.609 4.340 0.000 0.000 0.255 135 Q C -0.505 175.742 176.000 0.412 0.000 0.923 135 Q CA -0.795 55.192 55.803 0.306 0.000 0.925 135 Q CB 1.372 30.369 28.738 0.431 0.000 1.195 135 Q HN 0.687 nan 8.270 nan 0.000 0.417 136 K N 2.656 123.207 120.400 0.253 0.000 2.448 136 K HA 0.083 4.403 4.320 0.000 0.000 0.278 136 K C 0.510 177.365 176.600 0.424 0.000 1.009 136 K CA 1.184 57.686 56.287 0.359 0.000 0.995 136 K CB 0.012 32.428 32.500 -0.140 0.000 0.917 136 K HN 0.937 nan 8.250 nan 0.000 0.481 137 G N 2.189 111.396 108.800 0.678 0.000 2.168 137 G HA2 -0.317 3.643 3.960 0.000 0.000 0.263 137 G HA3 -0.317 3.643 3.960 0.000 0.000 0.263 137 G C 0.066 175.222 174.900 0.427 0.000 0.977 137 G CA 0.706 46.068 45.100 0.436 0.000 0.659 137 G HN 0.858 nan 8.290 nan 0.000 0.533 138 S N -0.674 115.304 115.700 0.462 0.000 2.713 138 S HA 0.706 5.176 4.470 0.000 0.000 0.277 138 S C 1.940 176.743 174.600 0.338 0.000 1.168 138 S CA 0.824 59.213 58.200 0.315 0.000 0.994 138 S CB 1.415 64.834 63.200 0.366 0.000 1.054 138 S HN 1.477 nan 8.310 nan 0.000 0.555 139 S N 0.947 116.726 115.700 0.130 0.000 2.387 139 S HA -0.150 4.320 4.470 0.000 0.000 0.230 139 S C 1.816 176.565 174.600 0.248 0.000 1.035 139 S CA 1.593 59.874 58.200 0.136 0.000 1.014 139 S CB -1.365 61.823 63.200 -0.020 0.000 0.836 139 S HN 0.667 nan 8.310 nan 0.000 0.466 140 S N 0.630 116.557 115.700 0.379 0.000 2.402 140 S HA -0.056 4.414 4.470 0.000 0.000 0.229 140 S C 1.651 176.367 174.600 0.193 0.000 1.021 140 S CA 1.059 59.444 58.200 0.309 0.000 0.974 140 S CB -0.588 62.865 63.200 0.422 0.000 0.800 140 S HN 0.812 nan 8.310 nan 0.000 0.484 141 H N 1.408 120.620 119.070 0.237 0.000 2.321 141 H HA -0.105 4.451 4.556 0.000 0.000 0.300 141 H C 2.403 177.738 175.328 0.012 0.000 1.087 141 H CA 1.539 57.629 56.048 0.070 0.000 1.319 141 H CB -0.047 29.946 29.762 0.385 0.000 1.379 141 H HN 0.319 nan 8.280 nan 0.000 0.501 142 N N 0.565 119.479 118.700 0.356 0.000 2.084 142 N HA -0.172 4.569 4.740 0.000 0.000 0.190 142 N C 2.109 177.705 175.510 0.143 0.000 1.030 142 N CA 1.302 54.531 53.050 0.297 0.000 0.849 142 N CB -0.392 38.313 38.487 0.364 0.000 1.012 142 N HN 0.440 nan 8.380 nan 0.000 0.423 143 L N -0.474 120.812 121.223 0.106 0.000 2.042 143 L HA -0.125 4.215 4.340 0.000 0.000 0.210 143 L C 2.121 178.986 176.870 -0.009 0.000 1.076 143 L CA 1.127 55.989 54.840 0.037 0.000 0.749 143 L CB -0.384 41.689 42.059 0.023 0.000 0.893 143 L HN 0.283 nan 8.230 nan 0.000 0.432 144 L N -0.435 120.752 121.223 -0.061 0.000 2.056 144 L HA -0.190 4.150 4.340 0.000 0.000 0.207 144 L C 2.264 179.111 176.870 -0.037 0.000 1.078 144 L CA 1.714 56.483 54.840 -0.118 0.000 0.749 144 L CB -0.566 41.283 42.059 -0.350 0.000 0.901 144 L HN 0.220 nan 8.230 nan 0.000 0.433 145 L N -0.817 120.395 121.223 -0.019 0.000 2.043 145 L HA -0.272 4.068 4.340 0.000 0.000 0.212 145 L C 2.726 179.603 176.870 0.011 0.000 1.075 145 L CA 1.640 56.472 54.840 -0.013 0.000 0.752 145 L CB -0.417 41.598 42.059 -0.073 0.000 0.891 145 L HN 0.263 nan 8.230 nan 0.000 0.432 146 R N -0.790 119.720 120.500 0.017 0.000 2.093 146 R HA 0.005 4.345 4.340 0.000 0.000 0.224 146 R C 2.423 178.729 176.300 0.010 0.000 1.101 146 R CA 0.952 57.063 56.100 0.018 0.000 0.979 146 R CB -0.365 29.950 30.300 0.026 0.000 0.877 146 R HN 0.314 nan 8.270 nan 0.000 0.441 147 A N 1.371 124.191 122.820 0.000 0.000 1.902 147 A HA -0.111 4.209 4.320 0.000 0.000 0.217 147 A C 2.132 179.719 177.584 0.004 0.000 1.181 147 A CA 1.115 53.148 52.037 -0.007 0.000 0.623 147 A CB -0.521 18.463 19.000 -0.025 0.000 0.818 147 A HN 0.145 nan 8.150 nan 0.000 0.443 148 L N -1.181 120.052 121.223 0.017 0.000 2.017 148 L HA -0.195 4.145 4.340 0.000 0.000 0.208 148 L C 2.770 179.661 176.870 0.035 0.000 1.073 148 L CA 1.849 56.710 54.840 0.035 0.000 0.745 148 L CB -0.557 41.546 42.059 0.074 0.000 0.894 148 L HN 0.451 nan 8.230 nan 0.000 0.432 149 R N 0.269 120.790 120.500 0.035 0.000 2.094 149 R HA -0.283 4.057 4.340 0.000 0.000 0.239 149 R C 2.411 178.724 176.300 0.020 0.000 1.137 149 R CA 2.245 58.362 56.100 0.029 0.000 0.943 149 R CB -0.356 29.959 30.300 0.024 0.000 0.850 149 R HN 0.364 nan 8.270 nan 0.000 0.433 150 Q N -0.626 119.183 119.800 0.015 0.000 2.181 150 Q HA -0.150 4.191 4.340 0.000 0.000 0.205 150 Q C 1.489 177.494 176.000 0.009 0.000 0.980 150 Q CA 1.713 57.522 55.803 0.010 0.000 0.862 150 Q CB -0.066 28.675 28.738 0.005 0.000 0.905 150 Q HN 0.518 nan 8.270 nan 0.000 0.429 151 A N -0.589 122.237 122.820 0.011 0.000 2.218 151 A HA 0.304 4.624 4.320 0.000 0.000 0.209 151 A C 1.348 178.940 177.584 0.014 0.000 1.168 151 A CA 0.760 52.803 52.037 0.010 0.000 0.804 151 A CB -0.154 18.851 19.000 0.009 0.000 0.834 151 A HN 0.606 nan 8.150 nan 0.000 0.482 152 G N -1.113 107.698 108.800 0.018 0.000 2.142 152 G HA2 -0.167 3.793 3.960 0.000 0.000 0.225 152 G HA3 -0.167 3.793 3.960 0.000 0.000 0.225 152 G C -0.139 174.775 174.900 0.023 0.000 1.015 152 G CA 0.270 45.381 45.100 0.019 0.000 0.716 152 G HN 0.412 nan 8.290 nan 0.000 0.508 153 L N -0.493 120.748 121.223 0.029 0.000 2.334 153 L HA 0.570 4.910 4.340 0.000 0.000 0.273 153 L C 0.699 177.600 176.870 0.053 0.000 1.013 153 L CA -1.057 53.804 54.840 0.035 0.000 0.816 153 L CB 1.708 43.786 42.059 0.032 0.000 1.278 153 L HN 0.025 nan 8.230 nan 0.000 0.431 154 K N 0.502 120.937 120.400 0.057 0.000 2.098 154 K HA 0.146 4.466 4.320 0.000 0.000 0.257 154 K C 0.590 177.273 176.600 0.138 0.000 0.999 154 K CA -0.525 55.818 56.287 0.093 0.000 0.924 154 K CB 1.051 33.597 32.500 0.076 0.000 1.028 154 K HN 0.336 nan 8.250 nan 0.000 0.466 155 F N 1.879 121.837 119.950 0.013 0.000 2.192 155 F HA -0.232 4.295 4.527 0.000 0.000 0.301 155 F C 2.147 177.962 175.800 0.025 0.000 1.079 155 F CA 2.160 60.172 58.000 0.020 0.000 1.303 155 F CB -0.470 38.557 39.000 0.046 0.000 1.024 155 F HN 0.680 nan 8.300 nan 0.000 0.494 156 T N -3.541 111.022 114.554 0.014 0.000 3.118 156 T HA -0.080 4.270 4.350 0.000 0.000 0.260 156 T C 1.392 176.041 174.700 -0.084 0.000 1.139 156 T CA 0.987 63.041 62.100 -0.077 0.000 1.085 156 T CB -0.460 68.415 68.868 0.012 0.000 0.934 156 T HN 0.200 nan 8.240 nan 0.000 0.518 157 D N 1.359 121.726 120.400 -0.056 0.000 2.355 157 D HA 0.226 4.866 4.640 0.000 0.000 0.218 157 D C 0.990 177.253 176.300 -0.061 0.000 1.004 157 D CA 0.244 54.220 54.000 -0.040 0.000 0.880 157 D CB 0.209 41.007 40.800 -0.004 0.000 0.911 157 D HN 0.694 nan 8.370 nan 0.000 0.528 158 I N -2.676 117.821 120.570 -0.121 0.000 3.237 158 I HA 0.370 4.540 4.170 0.000 0.000 0.308 158 I C -0.677 175.329 176.117 -0.185 0.000 1.093 158 I CA -1.033 60.195 61.300 -0.121 0.000 1.001 158 I CB 1.609 39.544 38.000 -0.107 0.000 1.245 158 I HN -0.429 nan 8.210 nan 0.000 0.485 159 Q N 2.629 122.342 119.800 -0.144 0.000 2.509 159 Q HA 0.415 4.755 4.340 0.000 0.000 0.236 159 Q C -2.454 173.423 176.000 -0.205 0.000 1.073 159 Q CA -1.989 53.713 55.803 -0.167 0.000 0.867 159 Q CB 0.849 29.523 28.738 -0.106 0.000 1.181 159 Q HN 0.410 nan 8.270 nan 0.000 0.526 160 P HA -0.028 nan 4.420 nan 0.000 0.267 160 P C -0.635 176.354 177.300 -0.517 0.000 1.205 160 P CA 0.027 62.907 63.100 -0.367 0.000 0.765 160 P CB 0.843 32.208 31.700 -0.559 0.000 0.828 161 T N 3.791 118.064 114.554 -0.468 0.000 2.963 161 T HA 0.271 4.621 4.350 0.000 0.000 0.343 161 T C -0.406 173.965 174.700 -0.547 0.000 1.146 161 T CA -0.224 61.633 62.100 -0.406 0.000 1.016 161 T CB -0.431 68.323 68.868 -0.191 0.000 1.046 161 T HN 0.132 nan 8.240 nan 0.000 0.496 162 Y N 3.702 123.784 120.300 -0.362 0.000 2.531 162 Y HA 0.495 5.045 4.550 0.000 0.000 0.347 162 Y C 0.363 176.112 175.900 -0.251 0.000 1.024 162 Y CA -0.864 56.976 58.100 -0.432 0.000 1.306 162 Y CB 0.031 38.310 38.460 -0.301 0.000 1.149 162 Y HN 0.427 nan 8.280 nan 0.000 0.527 163 L N 2.714 123.878 121.223 -0.098 0.000 2.482 163 L HA 0.401 4.741 4.340 0.000 0.000 0.263 163 L C 0.020 176.875 176.870 -0.025 0.000 0.957 163 L CA -1.114 53.683 54.840 -0.072 0.000 0.836 163 L CB 2.648 44.623 42.059 -0.140 0.000 1.324 163 L HN 0.573 nan 8.230 nan 0.000 0.406 164 T N -1.563 112.982 114.554 -0.015 0.000 2.813 164 T HA 0.229 4.579 4.350 0.000 0.000 0.297 164 T C -1.989 172.667 174.700 -0.073 0.000 1.036 164 T CA -1.226 60.882 62.100 0.013 0.000 1.044 164 T CB 1.000 69.884 68.868 0.026 0.000 0.993 164 T HN 0.327 nan 8.240 nan 0.000 0.535 165 P HA -0.071 nan 4.420 nan 0.000 0.215 165 P C 1.755 178.875 177.300 -0.299 0.000 1.157 165 P CA 1.750 64.645 63.100 -0.341 0.000 0.874 165 P CB -0.384 30.691 31.700 -1.042 0.000 0.790 166 A N -0.237 122.490 122.820 -0.155 0.000 1.908 166 A HA -0.232 4.088 4.320 0.000 0.000 0.218 166 A C 2.002 179.510 177.584 -0.126 0.000 1.181 166 A CA 2.168 54.178 52.037 -0.044 0.000 0.627 166 A CB -1.401 17.625 19.000 0.044 0.000 0.818 166 A HN 0.112 nan 8.150 nan 0.000 0.445 167 D N -0.105 120.209 120.400 -0.144 0.000 2.123 167 D HA 0.013 4.653 4.640 0.000 0.000 0.200 167 D C 2.269 178.405 176.300 -0.274 0.000 0.976 167 D CA 1.414 55.318 54.000 -0.159 0.000 0.831 167 D CB -0.457 40.275 40.800 -0.114 0.000 0.974 167 D HN 0.412 nan 8.370 nan 0.000 0.469 168 A N 1.189 123.764 122.820 -0.409 0.000 1.902 168 A HA -0.202 4.118 4.320 0.000 0.000 0.217 168 A C 2.182 179.134 177.584 -1.054 0.000 1.181 168 A CA 1.601 53.203 52.037 -0.724 0.000 0.623 168 A CB -0.543 17.933 19.000 -0.872 0.000 0.818 168 A HN 0.134 nan 8.150 nan 0.000 0.443 169 R N -0.284 119.562 120.500 -1.091 0.000 2.091 169 R HA -0.142 4.198 4.340 0.000 0.000 0.238 169 R C 2.261 178.373 176.300 -0.314 0.000 1.136 169 R CA 1.595 57.204 56.100 -0.818 0.000 0.959 169 R CB -0.437 29.681 30.300 -0.304 0.000 0.856 169 R HN 0.435 nan 8.270 nan 0.000 0.437 170 A N 0.733 123.413 122.820 -0.233 0.000 1.877 170 A HA -0.094 4.226 4.320 0.000 0.000 0.216 170 A C 2.389 179.903 177.584 -0.115 0.000 1.186 170 A CA 1.720 53.680 52.037 -0.128 0.000 0.620 170 A CB -0.870 18.070 19.000 -0.100 0.000 0.822 170 A HN 0.552 nan 8.150 nan 0.000 0.443 171 A N -1.523 121.206 122.820 -0.151 0.000 1.933 171 A HA 0.000 4.320 4.320 0.000 0.000 0.218 171 A C 2.025 179.602 177.584 -0.011 0.000 1.175 171 A CA 1.639 53.620 52.037 -0.094 0.000 0.628 171 A CB -0.638 18.288 19.000 -0.125 0.000 0.814 171 A HN 0.588 nan 8.150 nan 0.000 0.444 172 F N 0.741 120.543 119.950 -0.248 0.000 2.113 172 F HA -0.122 4.405 4.527 0.000 0.000 0.297 172 F C 2.472 178.228 175.800 -0.072 0.000 1.103 172 F CA 1.838 59.748 58.000 -0.150 0.000 1.248 172 F CB -0.823 38.062 39.000 -0.192 0.000 0.999 172 F HN 0.330 nan 8.300 nan 0.000 0.475 173 Q N -0.207 119.520 119.800 -0.122 0.000 2.061 173 Q HA -0.280 4.060 4.340 0.000 0.000 0.204 173 Q C 2.144 178.063 176.000 -0.135 0.000 0.984 173 Q CA 2.162 57.861 55.803 -0.173 0.000 0.846 173 Q CB -0.447 28.242 28.738 -0.081 0.000 0.902 173 Q HN 0.567 nan 8.270 nan 0.000 0.421 174 Q N -0.998 118.751 119.800 -0.084 0.000 2.364 174 Q HA -0.049 4.291 4.340 0.000 0.000 0.207 174 Q C 0.930 176.897 176.000 -0.055 0.000 0.970 174 Q CA 0.684 56.451 55.803 -0.061 0.000 0.888 174 Q CB 0.225 28.935 28.738 -0.047 0.000 0.951 174 Q HN 0.614 nan 8.270 nan 0.000 0.469 175 G N 0.641 109.406 108.800 -0.058 0.000 2.132 175 G HA2 -0.237 3.723 3.960 0.000 0.000 0.234 175 G HA3 -0.237 3.723 3.960 0.000 0.000 0.234 175 G C 0.489 175.395 174.900 0.011 0.000 0.989 175 G CA 0.332 45.414 45.100 -0.029 0.000 0.676 175 G HN 0.272 nan 8.290 nan 0.000 0.522 176 N N -0.495 118.211 118.700 0.009 0.000 2.331 176 N HA 0.076 4.816 4.740 0.000 0.000 0.180 176 N C 1.247 176.776 175.510 0.032 0.000 1.019 176 N CA 1.651 54.705 53.050 0.006 0.000 0.881 176 N CB 0.275 38.751 38.487 -0.019 0.000 0.972 176 N HN 1.186 nan 8.380 nan 0.000 0.435 177 V N -2.147 117.816 119.914 0.082 0.000 3.001 177 V HA 0.462 4.582 4.120 0.000 0.000 0.314 177 V C -0.160 176.077 176.094 0.239 0.000 1.099 177 V CA -0.757 61.616 62.300 0.122 0.000 0.989 177 V CB 2.315 34.178 31.823 0.067 0.000 1.040 177 V HN -0.267 nan 8.190 nan 0.000 0.434 178 D N 1.664 122.189 120.400 0.209 0.000 2.346 178 D HA 0.529 5.169 4.640 0.000 0.000 0.206 178 D C 0.636 177.088 176.300 0.254 0.000 1.001 178 D CA 1.458 55.592 54.000 0.223 0.000 0.871 178 D CB 0.973 41.872 40.800 0.164 0.000 0.943 178 D HN 1.053 nan 8.370 nan 0.000 0.518 179 A N -0.096 122.804 122.820 0.133 0.000 2.587 179 A HA 0.592 4.912 4.320 0.000 0.000 0.293 179 A C -2.114 175.340 177.584 -0.217 0.000 1.087 179 A CA -0.711 51.297 52.037 -0.050 0.000 0.692 179 A CB 1.787 20.768 19.000 -0.030 0.000 1.291 179 A HN 0.046 nan 8.150 nan 0.000 0.407 180 W N 1.299 122.218 121.300 -0.635 0.000 2.934 180 W HA 0.655 5.315 4.660 0.000 0.000 0.333 180 W C -0.672 175.660 176.519 -0.311 0.000 1.035 180 W CA -0.783 56.232 57.345 -0.549 0.000 1.256 180 W CB 1.179 30.067 29.460 -0.953 0.000 1.306 180 W HN 1.141 nan 8.180 nan 0.000 0.430 181 A N 6.179 128.985 122.820 -0.022 0.000 2.289 181 A HA 0.784 5.104 4.320 0.000 0.000 0.298 181 A C -1.311 176.089 177.584 -0.307 0.000 1.208 181 A CA -0.144 51.798 52.037 -0.157 0.000 0.845 181 A CB 0.670 19.650 19.000 -0.033 0.000 1.125 181 A HN 0.768 nan 8.150 nan 0.000 0.517 182 I N 1.025 121.328 120.570 -0.444 0.000 2.947 182 I HA 0.646 4.816 4.170 0.000 0.000 0.301 182 I C -1.649 174.332 176.117 -0.226 0.000 1.453 182 I CA -0.678 60.244 61.300 -0.631 0.000 0.984 182 I CB 1.504 38.508 38.000 -1.660 0.000 1.333 182 I HN 0.879 nan 8.210 nan 0.000 0.475 183 W N 3.630 124.896 121.300 -0.057 0.000 2.576 183 W HA 0.733 5.394 4.660 0.000 0.000 0.360 183 W C -0.536 176.113 176.519 0.217 0.000 1.109 183 W CA -0.688 56.706 57.345 0.081 0.000 1.237 183 W CB 0.019 29.566 29.460 0.144 0.000 1.369 183 W HN 0.374 nan 8.180 nan 0.000 0.609 184 D N 2.293 123.008 120.400 0.526 0.000 2.399 184 D HA 0.074 4.714 4.640 0.000 0.000 0.241 184 D C -1.148 175.472 176.300 0.535 0.000 1.133 184 D CA -1.586 52.710 54.000 0.494 0.000 0.890 184 D CB 1.415 42.531 40.800 0.526 0.000 1.201 184 D HN 0.241 nan 8.370 nan 0.000 0.432 185 P HA 0.002 nan 4.420 nan 0.000 0.261 185 P C 0.892 178.095 177.300 -0.162 0.000 1.268 185 P CA 0.250 63.296 63.100 -0.090 0.000 0.833 185 P CB 0.156 31.507 31.700 -0.581 0.000 1.231 186 Y N -0.608 119.656 120.300 -0.061 0.000 2.207 186 Y HA -0.252 4.298 4.550 0.000 0.000 0.287 186 Y C 2.784 178.650 175.900 -0.057 0.000 1.156 186 Y CA 1.760 59.826 58.100 -0.056 0.000 1.182 186 Y CB -1.096 37.252 38.460 -0.187 0.000 0.979 186 Y HN -0.014 nan 8.280 nan 0.000 0.521 187 Y N -0.016 120.249 120.300 -0.058 0.000 2.070 187 Y HA -0.329 4.221 4.550 0.000 0.000 0.280 187 Y C 2.581 178.505 175.900 0.041 0.000 1.148 187 Y CA 1.690 59.739 58.100 -0.085 0.000 1.125 187 Y CB -0.488 37.921 38.460 -0.085 0.000 0.975 187 Y HN -0.031 nan 8.280 nan 0.000 0.492 188 S N 0.819 116.350 115.700 -0.282 0.000 2.370 188 S HA -0.234 4.236 4.470 0.000 0.000 0.226 188 S C 2.181 176.708 174.600 -0.123 0.000 1.033 188 S CA 1.002 59.017 58.200 -0.308 0.000 1.011 188 S CB -0.764 62.329 63.200 -0.178 0.000 0.852 188 S HN 0.682 nan 8.310 nan 0.000 0.457 189 A N 1.763 124.546 122.820 -0.061 0.000 1.883 189 A HA -0.000 4.320 4.320 0.000 0.000 0.217 189 A C 2.393 180.023 177.584 0.077 0.000 1.186 189 A CA 1.916 53.949 52.037 -0.006 0.000 0.624 189 A CB -1.255 17.738 19.000 -0.013 0.000 0.822 189 A HN 0.534 nan 8.150 nan 0.000 0.444 190 A N -0.720 122.200 122.820 0.166 0.000 1.877 190 A HA -0.053 4.267 4.320 0.000 0.000 0.216 190 A C 2.150 179.840 177.584 0.177 0.000 1.186 190 A CA 1.795 53.983 52.037 0.251 0.000 0.620 190 A CB -0.724 18.524 19.000 0.414 0.000 0.822 190 A HN 0.638 nan 8.150 nan 0.000 0.443 191 L N -0.237 121.065 121.223 0.131 0.000 1.990 191 L HA -0.156 4.184 4.340 0.000 0.000 0.213 191 L C 2.309 179.211 176.870 0.053 0.000 1.072 191 L CA 1.881 56.778 54.840 0.095 0.000 0.755 191 L CB -0.441 41.615 42.059 -0.005 0.000 0.889 191 L HN 0.423 nan 8.230 nan 0.000 0.432 192 L N -1.474 119.758 121.223 0.016 0.000 2.291 192 L HA -0.143 4.197 4.340 0.000 0.000 0.214 192 L C 2.369 179.252 176.870 0.021 0.000 1.120 192 L CA 0.641 55.485 54.840 0.007 0.000 0.799 192 L CB -0.336 41.711 42.059 -0.020 0.000 0.925 192 L HN 0.405 nan 8.230 nan 0.000 0.446 193 Q N -0.134 119.690 119.800 0.041 0.000 2.435 193 Q HA 0.117 4.457 4.340 0.000 0.000 0.207 193 Q C 0.762 176.786 176.000 0.039 0.000 0.956 193 Q CA 0.483 56.311 55.803 0.042 0.000 0.917 193 Q CB 0.326 29.100 28.738 0.060 0.000 0.997 193 Q HN 0.496 nan 8.270 nan 0.000 0.497 194 G N -1.972 106.857 108.800 0.048 0.000 2.699 194 G HA2 0.044 4.004 3.960 0.000 0.000 0.686 194 G HA3 0.044 4.004 3.960 0.000 0.000 0.686 194 G C 0.392 175.314 174.900 0.037 0.000 1.301 194 G CA -0.554 44.570 45.100 0.040 0.000 0.816 194 G HN 0.607 nan 8.290 nan 0.000 0.595 195 G N -2.624 106.193 108.800 0.028 0.000 2.176 195 G HA2 0.213 4.173 3.960 0.000 0.000 0.253 195 G HA3 0.213 4.173 3.960 0.000 0.000 0.253 195 G C 1.106 176.014 174.900 0.014 0.000 0.979 195 G CA 1.647 46.750 45.100 0.005 0.000 0.641 195 G HN 2.564 nan 8.290 nan 0.000 0.530 196 V N -1.876 118.083 119.914 0.074 0.000 2.864 196 V HA 1.008 5.128 4.120 0.000 0.000 0.314 196 V C -0.187 175.995 176.094 0.147 0.000 1.073 196 V CA -0.560 61.825 62.300 0.143 0.000 0.956 196 V CB 1.798 33.786 31.823 0.276 0.000 1.023 196 V HN 1.065 nan 8.190 nan 0.000 0.435 197 R N 1.543 122.134 120.500 0.153 0.000 2.808 197 R HA 0.828 5.168 4.340 0.000 0.000 0.272 197 R C -1.727 174.631 176.300 0.098 0.000 0.995 197 R CA -0.881 55.290 56.100 0.118 0.000 0.917 197 R CB 2.072 32.418 30.300 0.077 0.000 1.217 197 R HN 0.514 nan 8.270 nan 0.000 0.471 198 V N 3.485 123.432 119.914 0.056 0.000 2.427 198 V HA 0.013 4.133 4.120 0.000 0.000 0.268 198 V C 1.190 177.266 176.094 -0.031 0.000 1.046 198 V CA -0.242 62.037 62.300 -0.034 0.000 0.970 198 V CB 0.827 32.594 31.823 -0.093 0.000 1.001 198 V HN 0.720 nan 8.190 nan 0.000 0.476 199 L N 4.544 125.742 121.223 -0.043 0.000 2.131 199 L HA 0.235 4.575 4.340 0.000 0.000 0.206 199 L C 0.847 177.684 176.870 -0.055 0.000 1.087 199 L CA 1.689 56.507 54.840 -0.037 0.000 0.767 199 L CB -0.037 41.999 42.059 -0.038 0.000 0.917 199 L HN 0.658 nan 8.230 nan 0.000 0.441 200 K N -0.580 119.767 120.400 -0.088 0.000 2.557 200 K HA 0.362 4.682 4.320 0.000 0.000 0.261 200 K C -1.504 175.017 176.600 -0.132 0.000 0.932 200 K CA -0.231 56.003 56.287 -0.089 0.000 0.829 200 K CB 1.161 33.618 32.500 -0.072 0.000 1.358 200 K HN 0.176 nan 8.250 nan 0.000 0.430 201 D N 1.014 121.343 120.400 -0.118 0.000 2.666 201 D HA 0.373 5.013 4.640 0.000 0.000 0.252 201 D C 0.752 176.996 176.300 -0.093 0.000 1.143 201 D CA -0.462 53.451 54.000 -0.145 0.000 1.096 201 D CB 0.341 41.040 40.800 -0.169 0.000 1.260 201 D HN 0.477 nan 8.370 nan 0.000 0.633 202 G N -1.640 107.112 108.800 -0.081 0.000 2.920 202 G HA2 -0.016 3.944 3.960 0.000 0.000 0.208 202 G HA3 -0.016 3.944 3.960 0.000 0.000 0.208 202 G C 0.985 175.863 174.900 -0.036 0.000 1.159 202 G CA 0.568 45.639 45.100 -0.049 0.000 0.784 202 G HN 0.482 nan 8.290 nan 0.000 0.535 203 T N 0.954 115.486 114.554 -0.038 0.000 2.720 203 T HA -0.101 4.249 4.350 0.000 0.000 0.268 203 T C 1.543 176.232 174.700 -0.019 0.000 1.037 203 T CA 1.385 63.470 62.100 -0.026 0.000 1.144 203 T CB -0.095 68.758 68.868 -0.024 0.000 0.864 203 T HN 0.193 nan 8.240 nan 0.000 0.444 204 D N 0.468 120.856 120.400 -0.020 0.000 2.328 204 D HA 0.191 4.831 4.640 0.000 0.000 0.221 204 D C 1.045 177.338 176.300 -0.010 0.000 1.072 204 D CA 0.194 54.186 54.000 -0.013 0.000 0.850 204 D CB 0.219 41.011 40.800 -0.013 0.000 0.922 204 D HN 0.358 nan 8.370 nan 0.000 0.516 205 L N -0.047 121.169 121.223 -0.012 0.000 2.857 205 L HA 0.159 4.499 4.340 0.000 0.000 0.249 205 L C 0.241 177.109 176.870 -0.003 0.000 1.172 205 L CA -0.296 54.540 54.840 -0.006 0.000 0.980 205 L CB -0.063 41.991 42.059 -0.008 0.000 1.299 205 L HN -0.165 nan 8.230 nan 0.000 0.535 206 N N 2.268 120.965 118.700 -0.006 0.000 2.696 206 N HA -0.200 4.540 4.740 0.000 0.000 0.256 206 N C 0.033 175.539 175.510 -0.007 0.000 1.031 206 N CA 0.636 53.682 53.050 -0.006 0.000 0.730 206 N CB -0.513 37.972 38.487 -0.002 0.000 0.894 206 N HN 0.457 nan 8.380 nan 0.000 0.544 207 Q N -0.748 119.044 119.800 -0.013 0.000 2.443 207 Q HA 0.157 4.497 4.340 0.000 0.000 0.232 207 Q C 1.171 177.151 176.000 -0.033 0.000 1.026 207 Q CA 0.495 56.288 55.803 -0.018 0.000 0.924 207 Q CB 0.471 29.196 28.738 -0.022 0.000 1.256 207 Q HN 0.338 nan 8.270 nan 0.000 0.519 208 T N -0.550 113.977 114.554 -0.045 0.000 2.983 208 T HA 0.251 4.601 4.350 0.000 0.000 0.250 208 T C 0.466 175.057 174.700 -0.182 0.000 1.037 208 T CA 0.583 62.641 62.100 -0.070 0.000 1.142 208 T CB 0.180 69.043 68.868 -0.009 0.000 0.876 208 T HN 0.893 nan 8.240 nan 0.000 0.455 209 G N 1.180 109.840 108.800 -0.233 0.000 2.440 209 G HA2 0.186 4.146 3.960 0.000 0.000 0.684 209 G HA3 0.186 4.146 3.960 0.000 0.000 0.684 209 G C -0.467 174.129 174.900 -0.506 0.000 1.309 209 G CA -0.501 44.407 45.100 -0.319 0.000 0.931 209 G HN 0.667 nan 8.290 nan 0.000 0.612 210 S N -0.830 114.634 115.700 -0.395 0.000 2.654 210 S HA 0.904 5.374 4.470 0.000 0.000 0.283 210 S C -0.497 173.825 174.600 -0.463 0.000 1.180 210 S CA -0.630 57.359 58.200 -0.352 0.000 1.021 210 S CB 1.700 64.788 63.200 -0.187 0.000 1.018 210 S HN 0.889 nan 8.310 nan 0.000 0.532 211 F N -0.373 119.531 119.950 -0.076 0.000 2.598 211 F HA 0.586 5.113 4.527 0.000 0.000 0.327 211 F C -0.744 174.907 175.800 -0.247 0.000 1.057 211 F CA -1.044 56.961 58.000 0.008 0.000 0.957 211 F CB 1.307 40.430 39.000 0.205 0.000 1.278 211 F HN 0.539 nan 8.300 nan 0.000 0.484 212 Y N 1.586 122.103 120.300 0.362 0.000 2.364 212 Y HA 0.690 5.240 4.550 0.000 0.000 0.340 212 Y C -0.846 175.154 175.900 0.166 0.000 0.975 212 Y CA -0.827 57.407 58.100 0.223 0.000 1.089 212 Y CB 1.525 40.109 38.460 0.206 0.000 1.192 212 Y HN 0.245 nan 8.280 nan 0.000 0.454 213 L N 2.818 124.144 121.223 0.171 0.000 2.370 213 L HA 0.951 5.291 4.340 0.000 0.000 0.266 213 L C -0.455 176.426 176.870 0.019 0.000 1.002 213 L CA -0.628 54.223 54.840 0.020 0.000 0.818 213 L CB 2.145 44.130 42.059 -0.124 0.000 1.325 213 L HN 0.746 nan 8.230 nan 0.000 0.418 214 A N 1.297 124.114 122.820 -0.004 0.000 2.479 214 A HA 0.944 5.264 4.320 0.000 0.000 0.296 214 A C -0.724 176.856 177.584 -0.006 0.000 1.121 214 A CA -0.455 51.583 52.037 0.002 0.000 0.743 214 A CB 1.422 20.462 19.000 0.067 0.000 1.323 214 A HN 0.775 nan 8.150 nan 0.000 0.415 215 A N 0.226 123.047 122.820 0.003 0.000 2.462 215 A HA 0.404 4.724 4.320 0.000 0.000 0.243 215 A C 1.354 178.982 177.584 0.073 0.000 1.076 215 A CA 0.303 52.351 52.037 0.019 0.000 0.773 215 A CB -0.057 18.953 19.000 0.018 0.000 1.010 215 A HN 1.020 nan 8.150 nan 0.000 0.493 216 R N 1.508 122.042 120.500 0.057 0.000 2.096 216 R HA -0.145 4.195 4.340 0.000 0.000 0.240 216 R C -1.013 175.350 176.300 0.106 0.000 1.139 216 R CA 2.378 58.530 56.100 0.086 0.000 0.952 216 R CB -0.982 29.356 30.300 0.063 0.000 0.854 216 R HN 0.616 nan 8.270 nan 0.000 0.436 217 P HA -0.090 nan 4.420 nan 0.000 0.220 217 P C 0.498 177.857 177.300 0.099 0.000 1.152 217 P CA 0.863 64.013 63.100 0.084 0.000 0.812 217 P CB -0.153 31.587 31.700 0.066 0.000 0.792 218 Y N 1.021 121.326 120.300 0.008 0.000 2.181 218 Y HA -0.174 4.377 4.550 0.000 0.000 0.288 218 Y C 2.425 178.324 175.900 -0.002 0.000 1.146 218 Y CA 1.782 59.880 58.100 -0.003 0.000 1.164 218 Y CB -0.825 37.628 38.460 -0.012 0.000 0.982 218 Y HN -0.119 nan 8.280 nan 0.000 0.515 219 A N 0.077 122.978 122.820 0.136 0.000 1.902 219 A HA -0.194 4.126 4.320 0.000 0.000 0.217 219 A C 2.051 179.711 177.584 0.127 0.000 1.181 219 A CA 1.858 53.911 52.037 0.026 0.000 0.623 219 A CB -0.674 18.352 19.000 0.044 0.000 0.818 219 A HN 0.614 nan 8.150 nan 0.000 0.443 220 E N -0.260 120.048 120.200 0.179 0.000 2.058 220 E HA -0.197 4.153 4.350 0.000 0.000 0.194 220 E C 2.091 178.750 176.600 0.098 0.000 0.997 220 E CA 1.376 57.888 56.400 0.186 0.000 0.801 220 E CB -0.159 29.609 29.700 0.114 0.000 0.746 220 E HN 0.518 nan 8.360 nan 0.000 0.450 221 K N 0.226 120.624 120.400 -0.003 0.000 2.097 221 K HA -0.019 4.301 4.320 0.000 0.000 0.205 221 K C 0.697 177.221 176.600 -0.126 0.000 1.050 221 K CA 0.746 56.988 56.287 -0.074 0.000 0.938 221 K CB 0.170 32.590 32.500 -0.134 0.000 0.718 221 K HN 0.062 nan 8.250 nan 0.000 0.442 222 N N -0.082 118.496 118.700 -0.204 0.000 2.541 222 N HA 0.069 4.809 4.740 0.000 0.000 0.297 222 N C 0.735 176.185 175.510 -0.100 0.000 1.503 222 N CA 0.007 52.933 53.050 -0.206 0.000 0.919 222 N CB 1.365 39.572 38.487 -0.467 0.000 1.305 222 N HN 0.143 nan 8.380 nan 0.000 0.501 223 G N 1.051 109.843 108.800 -0.013 0.000 2.421 223 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 223 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 223 G C 1.521 176.344 174.900 -0.128 0.000 1.171 223 G CA 1.067 46.132 45.100 -0.059 0.000 0.775 223 G HN 0.397 nan 8.290 nan 0.000 0.543 224 A N 0.482 123.342 122.820 0.067 0.000 1.877 224 A HA 0.059 4.379 4.320 0.000 0.000 0.216 224 A C 2.199 179.773 177.584 -0.016 0.000 1.186 224 A CA 1.673 53.746 52.037 0.059 0.000 0.620 224 A CB -0.619 18.441 19.000 0.101 0.000 0.822 224 A HN 0.481 nan 8.150 nan 0.000 0.443 225 F N 0.793 120.648 119.950 -0.159 0.000 2.126 225 F HA -0.180 4.348 4.527 0.000 0.000 0.299 225 F C 1.879 177.512 175.800 -0.280 0.000 1.096 225 F CA 1.777 59.638 58.000 -0.231 0.000 1.255 225 F CB -0.274 38.550 39.000 -0.294 0.000 0.997 225 F HN 0.187 nan 8.300 nan 0.000 0.479 226 I N 0.248 120.569 120.570 -0.414 0.000 2.208 226 I HA -0.313 3.857 4.170 0.000 0.000 0.245 226 I C 2.405 178.229 176.117 -0.488 0.000 1.097 226 I CA 1.046 62.043 61.300 -0.505 0.000 1.363 226 I CB -0.615 37.169 38.000 -0.361 0.000 1.051 226 I HN 0.214 nan 8.210 nan 0.000 0.413 227 Q N 0.540 120.103 119.800 -0.395 0.000 2.135 227 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 227 Q C 2.324 178.176 176.000 -0.246 0.000 0.981 227 Q CA 1.805 57.443 55.803 -0.275 0.000 0.856 227 Q CB -0.811 27.846 28.738 -0.135 0.000 0.902 227 Q HN 0.626 nan 8.270 nan 0.000 0.425 228 G N 0.113 108.765 108.800 -0.247 0.000 2.404 228 G HA2 -0.163 3.797 3.960 0.000 0.000 0.215 228 G HA3 -0.163 3.797 3.960 0.000 0.000 0.215 228 G C 1.651 176.389 174.900 -0.269 0.000 1.174 228 G CA 0.927 45.932 45.100 -0.157 0.000 0.780 228 G HN 0.266 nan 8.290 nan 0.000 0.537 229 V N 1.282 120.867 119.914 -0.549 0.000 2.252 229 V HA -0.211 3.909 4.120 0.000 0.000 0.249 229 V C 2.955 178.500 176.094 -0.915 0.000 1.056 229 V CA 1.794 63.650 62.300 -0.740 0.000 1.022 229 V CB -0.601 30.670 31.823 -0.920 0.000 0.641 229 V HN 0.357 nan 8.190 nan 0.000 0.445 230 L N 0.087 120.892 121.223 -0.697 0.000 2.042 230 L HA -0.197 4.143 4.340 0.000 0.000 0.210 230 L C 2.747 179.415 176.870 -0.336 0.000 1.076 230 L CA 1.640 56.141 54.840 -0.565 0.000 0.749 230 L CB -0.915 40.895 42.059 -0.416 0.000 0.893 230 L HN 0.383 nan 8.230 nan 0.000 0.432 231 A N -0.397 122.272 122.820 -0.251 0.000 1.940 231 A HA -0.203 4.117 4.320 0.000 0.000 0.219 231 A C 2.367 179.884 177.584 -0.112 0.000 1.176 231 A CA 2.356 54.312 52.037 -0.135 0.000 0.631 231 A CB -0.870 18.070 19.000 -0.100 0.000 0.814 231 A HN 0.401 nan 8.150 nan 0.000 0.446 232 T N -0.362 114.086 114.554 -0.177 0.000 2.821 232 T HA -0.076 4.274 4.350 0.000 0.000 0.267 232 T C 1.466 176.194 174.700 0.045 0.000 1.046 232 T CA 1.401 63.442 62.100 -0.099 0.000 1.139 232 T CB -0.397 68.393 68.868 -0.130 0.000 0.871 232 T HN 0.403 nan 8.240 nan 0.000 0.454 233 F N 1.455 121.393 119.950 -0.019 0.000 2.171 233 F HA -0.013 4.514 4.527 0.000 0.000 0.300 233 F C 2.837 178.645 175.800 0.012 0.000 1.090 233 F CA 0.251 58.260 58.000 0.015 0.000 1.293 233 F CB -1.341 37.640 39.000 -0.032 0.000 1.013 233 F HN 0.129 nan 8.300 nan 0.000 0.486 234 S N -0.478 115.312 115.700 0.150 0.000 2.368 234 S HA -0.215 4.255 4.470 0.000 0.000 0.224 234 S C 2.168 176.806 174.600 0.064 0.000 1.029 234 S CA 1.363 59.616 58.200 0.089 0.000 0.988 234 S CB -0.360 62.860 63.200 0.034 0.000 0.838 234 S HN 0.537 nan 8.310 nan 0.000 0.462 235 E N 0.511 120.736 120.200 0.041 0.000 2.085 235 E HA -0.152 4.198 4.350 0.000 0.000 0.194 235 E C 2.028 178.642 176.600 0.023 0.000 0.994 235 E CA 1.246 57.656 56.400 0.016 0.000 0.801 235 E CB -0.443 29.254 29.700 -0.005 0.000 0.743 235 E HN 0.577 nan 8.360 nan 0.000 0.453 236 A N 1.151 124.013 122.820 0.070 0.000 1.930 236 A HA -0.198 4.122 4.320 0.000 0.000 0.217 236 A C 2.089 179.717 177.584 0.072 0.000 1.175 236 A CA 1.584 53.664 52.037 0.072 0.000 0.627 236 A CB -0.570 18.525 19.000 0.159 0.000 0.815 236 A HN 0.433 nan 8.150 nan 0.000 0.443 237 D N 0.296 120.754 120.400 0.097 0.000 2.144 237 D HA -0.084 4.556 4.640 0.000 0.000 0.199 237 D C 2.013 178.343 176.300 0.050 0.000 0.984 237 D CA 1.321 55.371 54.000 0.083 0.000 0.834 237 D CB -0.097 40.764 40.800 0.101 0.000 0.955 237 D HN 0.333 nan 8.370 nan 0.000 0.465 238 A N 0.510 123.351 122.820 0.034 0.000 2.121 238 A HA -0.067 4.253 4.320 0.000 0.000 0.218 238 A C 2.463 180.048 177.584 0.000 0.000 1.154 238 A CA 0.444 52.490 52.037 0.014 0.000 0.679 238 A CB -0.596 18.407 19.000 0.006 0.000 0.795 238 A HN 0.338 nan 8.150 nan 0.000 0.458 239 L N 0.106 121.323 121.223 -0.009 0.000 2.191 239 L HA -0.173 4.167 4.340 0.000 0.000 0.212 239 L C 2.873 179.748 176.870 0.009 0.000 1.103 239 L CA 1.622 56.447 54.840 -0.024 0.000 0.769 239 L CB -1.037 40.979 42.059 -0.073 0.000 0.908 239 L HN 0.639 nan 8.230 nan 0.000 0.438 240 T N -2.679 111.891 114.554 0.026 0.000 2.881 240 T HA -0.196 4.154 4.350 0.000 0.000 0.270 240 T C 1.946 176.656 174.700 0.016 0.000 1.068 240 T CA 1.067 63.186 62.100 0.031 0.000 1.131 240 T CB -0.148 68.745 68.868 0.041 0.000 0.871 240 T HN 0.363 nan 8.240 nan 0.000 0.479 241 R N 0.871 121.376 120.500 0.009 0.000 2.146 241 R HA 0.161 4.501 4.340 0.000 0.000 0.206 241 R C 2.992 179.292 176.300 -0.001 0.000 1.049 241 R CA 1.085 57.186 56.100 0.003 0.000 1.029 241 R CB -0.021 30.280 30.300 0.002 0.000 0.949 241 R HN 0.591 nan 8.270 nan 0.000 0.471 242 S N 0.094 115.791 115.700 -0.005 0.000 2.478 242 S HA 0.006 4.476 4.470 0.000 0.000 0.222 242 S C 1.067 175.662 174.600 -0.008 0.000 1.008 242 S CA 0.304 58.498 58.200 -0.010 0.000 0.928 242 S CB 0.286 63.476 63.200 -0.018 0.000 0.781 242 S HN 0.193 nan 8.310 nan 0.000 0.518 243 Q N 0.333 120.131 119.800 -0.003 0.000 2.719 243 Q HA 0.385 4.725 4.340 0.000 0.000 0.376 243 Q C 0.766 176.777 176.000 0.018 0.000 0.856 243 Q CA -0.291 55.516 55.803 0.006 0.000 1.038 243 Q CB 0.901 29.642 28.738 0.005 0.000 1.418 243 Q HN 0.435 nan 8.270 nan 0.000 0.395 244 R N 1.179 121.686 120.500 0.011 0.000 2.083 244 R HA -0.204 4.136 4.340 0.000 0.000 0.237 244 R C 1.837 178.145 176.300 0.013 0.000 1.137 244 R CA 1.925 58.032 56.100 0.012 0.000 0.951 244 R CB 0.277 30.580 30.300 0.004 0.000 0.851 244 R HN 0.446 nan 8.270 nan 0.000 0.434 245 E N 0.155 120.361 120.200 0.010 0.000 2.058 245 E HA -0.307 4.043 4.350 0.000 0.000 0.194 245 E C 2.036 178.643 176.600 0.013 0.000 0.997 245 E CA 1.677 58.081 56.400 0.007 0.000 0.801 245 E CB -0.074 29.629 29.700 0.005 0.000 0.746 245 E HN 0.468 nan 8.360 nan 0.000 0.450 246 Q N 0.020 119.834 119.800 0.024 0.000 2.084 246 Q HA -0.135 4.206 4.340 0.000 0.000 0.202 246 Q C 2.188 178.214 176.000 0.043 0.000 0.978 246 Q CA 1.822 57.646 55.803 0.036 0.000 0.844 246 Q CB 0.033 28.809 28.738 0.064 0.000 0.898 246 Q HN 0.169 nan 8.270 nan 0.000 0.426 247 S N 0.727 116.459 115.700 0.055 0.000 2.383 247 S HA -0.091 4.379 4.470 0.000 0.000 0.227 247 S C 1.889 176.507 174.600 0.030 0.000 1.026 247 S CA 1.028 59.264 58.200 0.060 0.000 0.981 247 S CB -0.201 63.038 63.200 0.066 0.000 0.818 247 S HN 0.373 nan 8.310 nan 0.000 0.472 248 I N 1.809 122.390 120.570 0.018 0.000 2.208 248 I HA -0.253 3.917 4.170 0.000 0.000 0.245 248 I C 2.712 178.822 176.117 -0.011 0.000 1.097 248 I CA 1.180 62.481 61.300 0.002 0.000 1.363 248 I CB -0.487 37.511 38.000 -0.004 0.000 1.051 248 I HN 0.279 nan 8.210 nan 0.000 0.413 249 A N 0.870 123.685 122.820 -0.009 0.000 1.902 249 A HA -0.156 4.164 4.320 0.000 0.000 0.217 249 A C 2.291 179.858 177.584 -0.028 0.000 1.181 249 A CA 1.388 53.414 52.037 -0.019 0.000 0.623 249 A CB -0.805 18.186 19.000 -0.016 0.000 0.818 249 A HN 0.370 nan 8.150 nan 0.000 0.443 250 L N -0.757 120.449 121.223 -0.028 0.000 2.017 250 L HA -0.176 4.164 4.340 0.000 0.000 0.208 250 L C 2.587 179.432 176.870 -0.041 0.000 1.073 250 L CA 1.200 56.011 54.840 -0.048 0.000 0.745 250 L CB -0.590 41.430 42.059 -0.064 0.000 0.894 250 L HN 0.361 nan 8.230 nan 0.000 0.432 251 L N -0.479 120.728 121.223 -0.027 0.000 2.093 251 L HA -0.161 4.179 4.340 0.000 0.000 0.208 251 L C 2.882 179.715 176.870 -0.062 0.000 1.085 251 L CA 0.981 55.799 54.840 -0.037 0.000 0.755 251 L CB -0.739 41.306 42.059 -0.024 0.000 0.904 251 L HN 0.236 nan 8.230 nan 0.000 0.435 252 A N 0.053 122.838 122.820 -0.058 0.000 1.902 252 A HA -0.255 4.065 4.320 0.000 0.000 0.217 252 A C 2.425 179.981 177.584 -0.046 0.000 1.181 252 A CA 1.989 53.988 52.037 -0.064 0.000 0.623 252 A CB -0.384 18.585 19.000 -0.051 0.000 0.818 252 A HN 0.321 nan 8.150 nan 0.000 0.443 253 K N -0.680 119.698 120.400 -0.036 0.000 2.076 253 K HA -0.115 4.205 4.320 0.000 0.000 0.204 253 K C 2.280 178.871 176.600 -0.016 0.000 1.051 253 K CA 1.756 58.027 56.287 -0.027 0.000 0.949 253 K CB -0.280 32.201 32.500 -0.031 0.000 0.726 253 K HN 0.640 nan 8.250 nan 0.000 0.443 254 T N -0.559 113.984 114.554 -0.017 0.000 2.746 254 T HA -0.132 4.218 4.350 0.000 0.000 0.267 254 T C 1.896 176.618 174.700 0.036 0.000 1.039 254 T CA 1.262 63.366 62.100 0.006 0.000 1.142 254 T CB -0.162 68.709 68.868 0.006 0.000 0.866 254 T HN 0.157 nan 8.240 nan 0.000 0.444 255 M N 0.638 120.252 119.600 0.023 0.000 2.506 255 M HA 0.267 4.747 4.480 0.000 0.000 0.260 255 M C 1.690 178.046 176.300 0.093 0.000 1.104 255 M CA 0.757 56.107 55.300 0.082 0.000 1.112 255 M CB -0.172 32.401 32.600 -0.045 0.000 1.401 255 M HN 0.592 nan 8.290 nan 0.000 0.473 256 G N 2.432 111.246 108.800 0.024 0.000 2.256 256 G HA2 -0.224 3.736 3.960 0.000 0.000 0.272 256 G HA3 -0.224 3.736 3.960 0.000 0.000 0.272 256 G C -0.395 174.503 174.900 -0.005 0.000 1.076 256 G CA -0.080 45.030 45.100 0.016 0.000 0.882 256 G HN 0.397 nan 8.290 nan 0.000 0.497 257 L N -0.837 120.358 121.223 -0.048 0.000 2.333 257 L HA 0.602 4.942 4.340 0.000 0.000 0.263 257 L C -2.065 174.761 176.870 -0.072 0.000 1.014 257 L CA -2.689 52.102 54.840 -0.082 0.000 0.820 257 L CB 2.177 44.131 42.059 -0.174 0.000 1.352 257 L HN -0.102 nan 8.230 nan 0.000 0.421 258 P HA 0.097 nan 4.420 nan 0.000 0.272 258 P C 0.054 177.317 177.300 -0.062 0.000 1.223 258 P CA -0.184 62.885 63.100 -0.052 0.000 0.784 258 P CB 0.880 32.554 31.700 -0.043 0.000 0.923 259 A N 4.774 127.566 122.820 -0.047 0.000 1.940 259 A HA -0.125 4.195 4.320 0.000 0.000 0.219 259 A C -0.496 177.058 177.584 -0.049 0.000 1.176 259 A CA 1.870 53.880 52.037 -0.045 0.000 0.631 259 A CB -2.374 16.607 19.000 -0.032 0.000 0.814 259 A HN 0.492 nan 8.150 nan 0.000 0.446 260 P HA -0.049 nan 4.420 nan 0.000 0.221 260 P C 1.477 178.736 177.300 -0.069 0.000 1.150 260 P CA 0.811 63.880 63.100 -0.051 0.000 0.800 260 P CB -0.034 31.642 31.700 -0.041 0.000 0.787 261 V N -0.192 119.674 119.914 -0.079 0.000 2.427 261 V HA -0.186 3.934 4.120 0.000 0.000 0.248 261 V C 2.248 178.281 176.094 -0.102 0.000 1.051 261 V CA 1.412 63.650 62.300 -0.103 0.000 1.048 261 V CB -0.938 30.809 31.823 -0.127 0.000 0.666 261 V HN 0.051 nan 8.190 nan 0.000 0.456 262 I N 0.692 121.204 120.570 -0.098 0.000 2.315 262 I HA -0.169 4.001 4.170 0.000 0.000 0.248 262 I C 2.688 178.806 176.117 0.002 0.000 1.117 262 I CA 1.801 63.064 61.300 -0.061 0.000 1.404 262 I CB -1.615 36.343 38.000 -0.071 0.000 1.071 262 I HN 0.301 nan 8.210 nan 0.000 0.419 263 A N 0.079 122.874 122.820 -0.041 0.000 1.902 263 A HA -0.224 4.096 4.320 0.000 0.000 0.217 263 A C 2.635 180.153 177.584 -0.110 0.000 1.181 263 A CA 2.192 54.197 52.037 -0.053 0.000 0.623 263 A CB -0.845 18.122 19.000 -0.055 0.000 0.818 263 A HN 0.415 nan 8.150 nan 0.000 0.443 264 S N -1.956 113.651 115.700 -0.154 0.000 2.368 264 S HA -0.202 4.268 4.470 0.000 0.000 0.225 264 S C 1.904 176.194 174.600 -0.516 0.000 1.030 264 S CA 1.608 59.605 58.200 -0.339 0.000 0.999 264 S CB -0.579 62.463 63.200 -0.264 0.000 0.844 264 S HN 0.651 nan 8.310 nan 0.000 0.459 265 Y N 1.992 122.088 120.300 -0.341 0.000 2.128 265 Y HA -0.101 4.449 4.550 0.000 0.000 0.284 265 Y C 1.904 177.716 175.900 -0.146 0.000 1.154 265 Y CA 1.945 59.930 58.100 -0.193 0.000 1.149 265 Y CB -0.445 37.942 38.460 -0.122 0.000 0.976 265 Y HN 0.267 nan 8.280 nan 0.000 0.505 266 L N -0.255 120.942 121.223 -0.043 0.000 2.141 266 L HA -0.200 4.140 4.340 0.000 0.000 0.209 266 L C 1.770 178.559 176.870 -0.136 0.000 1.094 266 L CA 1.336 56.120 54.840 -0.093 0.000 0.763 266 L CB -0.563 41.496 42.059 0.001 0.000 0.908 266 L HN 0.164 nan 8.230 nan 0.000 0.437 267 D N -0.900 119.383 120.400 -0.195 0.000 2.310 267 D HA -0.126 4.514 4.640 0.000 0.000 0.212 267 D C 1.593 177.849 176.300 -0.073 0.000 0.965 267 D CA 1.108 55.014 54.000 -0.156 0.000 0.879 267 D CB -0.128 40.559 40.800 -0.189 0.000 0.921 267 D HN 0.517 nan 8.370 nan 0.000 0.510 268 H N -0.783 118.251 119.070 -0.060 0.000 2.539 268 H HA 0.258 4.815 4.556 0.000 0.000 0.269 268 H C 0.238 175.525 175.328 -0.069 0.000 0.980 268 H CA -0.183 55.844 56.048 -0.034 0.000 1.152 268 H CB 0.638 30.405 29.762 0.009 0.000 1.407 268 H HN -0.183 nan 8.280 nan 0.000 0.564 269 R N 1.971 122.465 120.500 -0.010 0.000 2.532 269 R HA 0.269 4.609 4.340 0.000 0.000 0.295 269 R C -2.428 173.861 176.300 -0.018 0.000 0.968 269 R CA -1.966 54.106 56.100 -0.048 0.000 0.916 269 R CB 1.110 31.341 30.300 -0.114 0.000 1.124 269 R HN 0.088 nan 8.270 nan 0.000 0.463 270 P HA 0.253 nan 4.420 nan 0.000 0.276 270 P C -2.610 174.687 177.300 -0.004 0.000 1.261 270 P CA -1.771 61.327 63.100 -0.004 0.000 0.800 270 P CB -0.080 31.618 31.700 -0.004 0.000 1.066 271 P HA 0.097 nan 4.420 nan 0.000 0.266 271 P C -0.232 177.075 177.300 0.012 0.000 1.195 271 P CA 0.510 63.614 63.100 0.006 0.000 0.768 271 P CB -0.072 31.631 31.700 0.006 0.000 0.838 272 T N 2.338 116.905 114.554 0.021 0.000 2.889 272 T HA 0.498 4.848 4.350 0.000 0.000 0.291 272 T C 0.188 174.911 174.700 0.038 0.000 0.995 272 T CA -0.201 61.921 62.100 0.036 0.000 1.092 272 T CB 0.265 69.168 68.868 0.058 0.000 0.954 272 T HN 0.508 nan 8.240 nan 0.000 0.506 273 T N 0.197 114.776 114.554 0.041 0.000 2.906 273 T HA 0.764 5.114 4.350 0.000 0.000 0.295 273 T C -0.692 174.044 174.700 0.059 0.000 1.061 273 T CA -0.893 61.231 62.100 0.040 0.000 1.000 273 T CB 0.993 69.878 68.868 0.028 0.000 1.103 273 T HN 0.442 nan 8.240 nan 0.000 0.486 274 I N 1.659 122.258 120.570 0.049 0.000 2.418 274 I HA 0.508 4.678 4.170 0.000 0.000 0.287 274 I C -0.281 175.863 176.117 0.046 0.000 1.008 274 I CA -0.817 60.518 61.300 0.059 0.000 1.104 274 I CB 1.855 39.849 38.000 -0.009 0.000 1.264 274 I HN 0.533 nan 8.210 nan 0.000 0.438 275 K N 6.236 126.685 120.400 0.081 0.000 2.435 275 K HA 0.571 4.891 4.320 0.000 0.000 0.251 275 K C -2.720 173.965 176.600 0.142 0.000 0.954 275 K CA -1.877 54.463 56.287 0.089 0.000 0.820 275 K CB 2.089 34.633 32.500 0.073 0.000 1.292 275 K HN 0.160 nan 8.250 nan 0.000 0.436 276 P HA -0.046 nan 4.420 nan 0.000 0.268 276 P C -0.591 176.827 177.300 0.196 0.000 1.208 276 P CA -0.401 62.846 63.100 0.245 0.000 0.777 276 P CB 0.371 32.243 31.700 0.287 0.000 0.875 277 V N 3.015 123.063 119.914 0.224 0.000 2.439 277 V HA 0.066 4.186 4.120 0.000 0.000 0.271 277 V C 0.965 177.120 176.094 0.102 0.000 1.040 277 V CA -0.076 62.330 62.300 0.176 0.000 1.002 277 V CB -0.493 31.442 31.823 0.188 0.000 1.000 277 V HN 0.682 nan 8.190 nan 0.000 0.477 278 N N 5.202 123.946 118.700 0.073 0.000 2.448 278 N HA 0.443 5.183 4.740 0.000 0.000 0.274 278 N C 0.950 176.472 175.510 0.021 0.000 1.239 278 N CA -0.109 52.965 53.050 0.040 0.000 0.982 278 N CB 1.000 39.507 38.487 0.033 0.000 1.199 278 N HN 0.421 nan 8.380 nan 0.000 0.576 279 A N -0.764 122.062 122.820 0.008 0.000 1.930 279 A HA -0.152 4.168 4.320 0.000 0.000 0.217 279 A C 1.955 179.537 177.584 -0.003 0.000 1.175 279 A CA 1.484 53.520 52.037 -0.002 0.000 0.627 279 A CB -1.022 17.975 19.000 -0.006 0.000 0.815 279 A HN 0.883 nan 8.150 nan 0.000 0.443 280 E N -0.061 120.140 120.200 0.002 0.000 2.047 280 E HA -0.123 4.227 4.350 0.000 0.000 0.191 280 E C 1.852 178.453 176.600 0.003 0.000 0.987 280 E CA 1.470 57.870 56.400 0.001 0.000 0.799 280 E CB -0.085 29.616 29.700 0.002 0.000 0.752 280 E HN 0.316 nan 8.360 nan 0.000 0.449 281 V N 1.408 121.329 119.914 0.012 0.000 2.358 281 V HA -0.239 3.881 4.120 0.000 0.000 0.246 281 V C 2.522 178.629 176.094 0.021 0.000 1.047 281 V CA 1.669 63.984 62.300 0.025 0.000 1.035 281 V CB -0.799 31.052 31.823 0.047 0.000 0.658 281 V HN 0.424 nan 8.190 nan 0.000 0.452 282 A N 0.194 123.009 122.820 -0.008 0.000 1.917 282 A HA -0.210 4.110 4.320 0.000 0.000 0.219 282 A C 2.419 179.972 177.584 -0.052 0.000 1.182 282 A CA 2.392 54.393 52.037 -0.061 0.000 0.633 282 A CB -0.786 18.182 19.000 -0.052 0.000 0.819 282 A HN 0.591 nan 8.150 nan 0.000 0.448 283 A N -0.516 122.289 122.820 -0.026 0.000 1.898 283 A HA 0.033 4.353 4.320 0.000 0.000 0.216 283 A C 2.172 179.746 177.584 -0.017 0.000 1.181 283 A CA 1.404 53.428 52.037 -0.021 0.000 0.620 283 A CB -0.554 18.438 19.000 -0.013 0.000 0.819 283 A HN 0.469 nan 8.150 nan 0.000 0.442 284 L N -1.088 120.131 121.223 -0.007 0.000 2.017 284 L HA -0.228 4.112 4.340 0.000 0.000 0.208 284 L C 2.837 179.706 176.870 -0.001 0.000 1.073 284 L CA 1.753 56.594 54.840 0.001 0.000 0.745 284 L CB -0.468 41.596 42.059 0.008 0.000 0.894 284 L HN 0.452 nan 8.230 nan 0.000 0.432 285 Q N -0.057 119.740 119.800 -0.005 0.000 2.170 285 Q HA -0.258 4.082 4.340 0.000 0.000 0.203 285 Q C 2.103 178.060 176.000 -0.070 0.000 0.976 285 Q CA 1.574 57.355 55.803 -0.037 0.000 0.858 285 Q CB -0.081 28.580 28.738 -0.129 0.000 0.907 285 Q HN 0.327 nan 8.270 nan 0.000 0.433 286 Q N 0.002 119.764 119.800 -0.063 0.000 2.079 286 Q HA -0.175 4.165 4.340 0.000 0.000 0.200 286 Q C 1.950 177.935 176.000 -0.026 0.000 0.974 286 Q CA 1.996 57.768 55.803 -0.051 0.000 0.840 286 Q CB -0.225 28.485 28.738 -0.046 0.000 0.898 286 Q HN 0.597 nan 8.270 nan 0.000 0.430 287 Q N -0.978 118.815 119.800 -0.012 0.000 2.061 287 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 287 Q C 1.611 177.626 176.000 0.024 0.000 0.984 287 Q CA 2.189 57.998 55.803 0.009 0.000 0.846 287 Q CB -0.147 28.598 28.738 0.011 0.000 0.902 287 Q HN 0.457 nan 8.270 nan 0.000 0.421 288 T N 0.542 115.099 114.554 0.005 0.000 2.777 288 T HA -0.102 4.248 4.350 0.000 0.000 0.266 288 T C 1.795 176.483 174.700 -0.019 0.000 1.040 288 T CA 1.140 63.241 62.100 0.002 0.000 1.141 288 T CB -0.421 68.404 68.868 -0.072 0.000 0.868 288 T HN 0.480 nan 8.240 nan 0.000 0.444 289 A N 2.266 125.049 122.820 -0.062 0.000 1.883 289 A HA -0.182 4.138 4.320 0.000 0.000 0.217 289 A C 2.119 179.731 177.584 0.046 0.000 1.186 289 A CA 1.851 53.854 52.037 -0.057 0.000 0.624 289 A CB -0.715 18.241 19.000 -0.073 0.000 0.822 289 A HN 0.361 nan 8.150 nan 0.000 0.444 290 D N -0.395 120.035 120.400 0.049 0.000 2.097 290 D HA -0.138 4.502 4.640 0.000 0.000 0.195 290 D C 1.864 178.250 176.300 0.142 0.000 0.989 290 D CA 1.384 55.443 54.000 0.099 0.000 0.827 290 D CB -0.573 40.262 40.800 0.058 0.000 0.966 290 D HN 0.353 nan 8.370 nan 0.000 0.456 291 L N -0.090 121.208 121.223 0.126 0.000 2.042 291 L HA -0.169 4.171 4.340 0.000 0.000 0.210 291 L C 2.022 178.971 176.870 0.133 0.000 1.076 291 L CA 1.567 56.481 54.840 0.123 0.000 0.749 291 L CB -0.588 41.557 42.059 0.144 0.000 0.893 291 L HN -0.125 nan 8.230 nan 0.000 0.432 292 F N -1.744 118.156 119.950 -0.084 0.000 2.259 292 F HA -0.140 4.387 4.527 0.000 0.000 0.298 292 F C 2.332 178.062 175.800 -0.117 0.000 1.088 292 F CA 1.341 59.251 58.000 -0.149 0.000 1.358 292 F CB -0.883 37.981 39.000 -0.226 0.000 1.040 292 F HN 0.230 nan 8.300 nan 0.000 0.505 293 Y N 1.045 121.358 120.300 0.022 0.000 2.220 293 Y HA -0.138 4.412 4.550 0.000 0.000 0.291 293 Y C 2.123 177.999 175.900 -0.040 0.000 1.129 293 Y CA 1.716 59.797 58.100 -0.032 0.000 1.161 293 Y CB -0.554 37.887 38.460 -0.032 0.000 0.997 293 Y HN 0.097 nan 8.280 nan 0.000 0.522 294 E N -0.091 120.059 120.200 -0.083 0.000 2.204 294 E HA -0.178 4.172 4.350 0.000 0.000 0.195 294 E C 1.259 177.735 176.600 -0.206 0.000 0.990 294 E CA 1.039 57.342 56.400 -0.162 0.000 0.821 294 E CB -0.150 29.541 29.700 -0.015 0.000 0.750 294 E HN 0.559 nan 8.360 nan 0.000 0.477 295 N N 0.463 119.041 118.700 -0.205 0.000 2.322 295 N HA 0.082 4.822 4.740 0.000 0.000 0.194 295 N C -0.398 174.976 175.510 -0.228 0.000 1.126 295 N CA 0.051 52.963 53.050 -0.231 0.000 0.845 295 N CB 0.421 38.708 38.487 -0.333 0.000 0.976 295 N HN 0.040 nan 8.380 nan 0.000 0.475 296 R N -0.344 120.001 120.500 -0.258 0.000 3.875 296 R HA -0.160 4.180 4.340 0.000 0.000 0.321 296 R C 0.761 176.984 176.300 -0.129 0.000 1.196 296 R CA 0.244 56.214 56.100 -0.216 0.000 0.868 296 R CB -2.105 28.097 30.300 -0.163 0.000 1.333 296 R HN 0.247 nan 8.270 nan 0.000 0.522 297 L N -0.131 121.000 121.223 -0.154 0.000 2.270 297 L HA 0.061 4.401 4.340 0.000 0.000 0.210 297 L C 1.085 177.920 176.870 -0.058 0.000 1.104 297 L CA 0.735 55.527 54.840 -0.081 0.000 0.804 297 L CB 0.256 42.169 42.059 -0.243 0.000 0.937 297 L HN 0.164 nan 8.230 nan 0.000 0.450 298 V N -5.139 114.700 119.914 -0.125 0.000 2.823 298 V HA 0.435 4.555 4.120 0.000 0.000 0.312 298 V C -2.101 174.023 176.094 0.050 0.000 1.072 298 V CA -1.512 60.716 62.300 -0.119 0.000 0.937 298 V CB 1.573 33.232 31.823 -0.273 0.000 1.013 298 V HN -0.177 nan 8.190 nan 0.000 0.430 299 P HA 0.141 nan 4.420 nan 0.000 0.231 299 P C 0.034 177.476 177.300 0.237 0.000 1.168 299 P CA 0.781 63.961 63.100 0.134 0.000 0.779 299 P CB 0.423 32.172 31.700 0.081 0.000 0.844 300 K N 0.122 120.617 120.400 0.158 0.000 2.435 300 K HA 0.370 4.690 4.320 0.000 0.000 0.251 300 K C -0.403 176.053 176.600 -0.241 0.000 0.954 300 K CA -0.937 55.331 56.287 -0.032 0.000 0.820 300 K CB 2.498 34.966 32.500 -0.054 0.000 1.292 300 K HN -0.233 nan 8.250 nan 0.000 0.436 301 K N 1.496 121.530 120.400 -0.610 0.000 2.298 301 K HA 0.227 4.547 4.320 0.000 0.000 0.280 301 K C -0.725 175.729 176.600 -0.245 0.000 1.032 301 K CA -0.328 55.638 56.287 -0.534 0.000 0.958 301 K CB 0.854 32.972 32.500 -0.637 0.000 0.978 301 K HN 0.257 nan 8.250 nan 0.000 0.472 302 V N 3.286 123.104 119.914 -0.161 0.000 2.581 302 V HA 0.109 4.229 4.120 0.000 0.000 0.303 302 V C -0.603 175.443 176.094 -0.080 0.000 1.041 302 V CA -0.692 61.548 62.300 -0.100 0.000 0.907 302 V CB 1.784 33.562 31.823 -0.075 0.000 0.994 302 V HN 0.809 nan 8.190 nan 0.000 0.442 303 D N 3.832 124.198 120.400 -0.057 0.000 2.485 303 D HA 0.243 4.883 4.640 0.000 0.000 0.221 303 D C 1.038 177.325 176.300 -0.022 0.000 1.112 303 D CA -0.338 53.636 54.000 -0.044 0.000 0.911 303 D CB 0.755 41.531 40.800 -0.040 0.000 1.019 303 D HN 0.263 nan 8.370 nan 0.000 0.516 304 I N 2.927 123.479 120.570 -0.030 0.000 2.208 304 I HA -0.233 3.937 4.170 0.000 0.000 0.245 304 I C 2.110 178.222 176.117 -0.008 0.000 1.097 304 I CA 1.015 62.303 61.300 -0.020 0.000 1.363 304 I CB -0.388 37.547 38.000 -0.109 0.000 1.051 304 I HN 0.387 nan 8.210 nan 0.000 0.413 305 R N 0.187 120.672 120.500 -0.026 0.000 2.189 305 R HA -0.136 4.204 4.340 0.000 0.000 0.223 305 R C 2.081 178.385 176.300 0.007 0.000 1.092 305 R CA 0.669 56.759 56.100 -0.016 0.000 0.989 305 R CB -0.212 30.073 30.300 -0.026 0.000 0.876 305 R HN 0.508 nan 8.270 nan 0.000 0.457 306 Q N -0.122 119.683 119.800 0.008 0.000 2.364 306 Q HA -0.053 4.288 4.340 0.000 0.000 0.207 306 Q C 1.165 177.189 176.000 0.041 0.000 0.970 306 Q CA 0.859 56.669 55.803 0.012 0.000 0.888 306 Q CB 0.324 29.062 28.738 -0.000 0.000 0.951 306 Q HN 0.139 nan 8.270 nan 0.000 0.469 307 R N -0.310 120.240 120.500 0.085 0.000 2.472 307 R HA 0.269 4.609 4.340 0.000 0.000 0.279 307 R C -0.072 176.370 176.300 0.237 0.000 0.953 307 R CA -0.035 56.143 56.100 0.131 0.000 1.088 307 R CB 0.598 30.973 30.300 0.125 0.000 1.197 307 R HN 0.171 nan 8.270 nan 0.000 0.536 308 I N 1.193 121.879 120.570 0.193 0.000 2.352 308 I HA 0.084 4.254 4.170 0.000 0.000 0.290 308 I C 0.202 176.442 176.117 0.206 0.000 1.036 308 I CA -0.743 60.690 61.300 0.222 0.000 1.336 308 I CB 0.621 38.684 38.000 0.105 0.000 1.407 308 I HN 0.027 nan 8.210 nan 0.000 0.497 309 W N 7.836 129.198 121.300 0.103 0.000 2.181 309 W HA 0.126 4.786 4.660 0.000 0.000 0.335 309 W C -0.130 176.424 176.519 0.058 0.000 1.310 309 W CA 0.120 57.508 57.345 0.071 0.000 1.226 309 W CB 0.466 29.973 29.460 0.077 0.000 1.155 309 W HN 0.474 nan 8.180 nan 0.000 0.565 329 L N 0.679 121.898 121.223 -0.006 0.000 2.375 329 L HA 0.201 4.541 4.340 0.000 0.000 0.215 329 L C -0.402 176.789 176.870 0.535 0.000 1.108 329 L CA 0.388 55.469 54.840 0.401 0.000 0.830 329 L CB -0.378 41.911 42.059 0.384 0.000 0.959 329 L HN 0.662 nan 8.230 nan 0.000 0.457 330 Y N -1.211 119.272 120.300 0.306 0.000 2.984 330 Y HA -0.201 4.349 4.550 0.000 0.000 0.132 330 Y C -0.123 175.885 175.900 0.179 0.000 1.924 330 Y CA -0.382 57.845 58.100 0.212 0.000 0.976 330 Y CB -2.667 35.912 38.460 0.198 0.000 1.560 330 Y HN -0.015 nan 8.280 nan 0.000 0.353 331 F N -1.621 118.330 119.950 0.001 0.000 2.106 331 F HA -0.236 4.291 4.527 0.000 0.000 0.455 331 F C 0.803 176.603 175.800 0.001 0.000 1.234 331 F CA 1.061 59.062 58.000 0.001 0.000 1.451 331 F CB -0.445 38.555 39.000 0.001 0.000 2.694 331 F HN 0.778 nan 8.300 nan 0.000 0.680 332 Q N 0.000 119.936 119.800 0.227 0.000 2.315 332 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 332 Q CA 0.000 55.874 55.803 0.119 0.000 1.022 332 Q CB 0.000 28.792 28.738 0.091 0.000 1.108 332 Q HN 0.000 nan 8.270 nan 0.000 0.481