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 2c4d_1_A DATA FIRST_RESID 1 DATA SEQUENCE SVVVISQALP VPTRIPGVAD LVGFGNGGVY IIRNSLLIQV VKVINNFGYD DATA SEQUENCE AGGWRVEKHV RLLADTTGDN QSDVVGFGEN GVWISTNNGN NTFVDPPKMV DATA SEQUENCE LANFAYAAGG WRVEKHIRFM ADLRKTGRAD IVGFGDGGIY ISRNNGGGQF DATA SEQUENCE APAQLALNNF GYAQGWRLDR HLRFLADVTG DGLLDVVGFG ENQVYIARNS DATA SEQUENCE GNGTFQPAQA VVNNFCIGAG GWTISAHPRV VADLTGDRKA DILGFGVAGV DATA SEQUENCE YTSLNNGNGT FGAVNLVLKD FGVNSGWRVE KHVRCVSSLT NKKVGDIIGF DATA SEQUENCE GDAGVYVALN NGNGTFGPVK RVIDNFGYNQ GWRVDKHPRF VVDLTGDGCA DATA SEQUENCE DIVGFGENSV WACMNKGDGT FGPIMKLIDD MTVSKGWTLQ KTVRYAANLY DATA SEQUENCE L 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.611 174.600 0.018 0.000 1.055 1 S CA 0.000 58.209 58.200 0.015 0.000 1.107 1 S CB 0.000 63.212 63.200 0.020 0.000 0.593 2 V N 5.320 125.243 119.914 0.015 0.000 2.794 2 V HA -0.002 4.118 4.120 0.001 0.000 0.260 2 V C 0.779 176.887 176.094 0.024 0.000 1.103 2 V CA 2.167 64.479 62.300 0.019 0.000 1.125 2 V CB -0.347 31.486 31.823 0.017 0.000 0.702 2 V HN 0.696 nan 8.190 nan 0.000 0.494 3 V N 1.286 121.213 119.914 0.021 0.000 2.529 3 V HA 0.182 4.303 4.120 0.001 0.000 0.292 3 V C 0.079 176.188 176.094 0.026 0.000 1.028 3 V CA 0.241 62.553 62.300 0.019 0.000 1.074 3 V CB 0.939 32.769 31.823 0.011 0.000 0.958 3 V HN 0.178 nan 8.190 nan 0.000 0.481 4 V N 6.921 126.851 119.914 0.027 0.000 2.638 4 V HA 0.533 4.653 4.120 0.001 0.000 0.306 4 V C -0.287 175.812 176.094 0.008 0.000 1.052 4 V CA -0.508 61.818 62.300 0.045 0.000 0.885 4 V CB 2.005 33.874 31.823 0.077 0.000 0.999 4 V HN 0.654 nan 8.190 nan 0.000 0.424 5 I N 3.975 124.517 120.570 -0.047 0.000 2.441 5 I HA 0.700 4.870 4.170 0.001 0.000 0.295 5 I C 0.025 175.976 176.117 -0.277 0.000 0.994 5 I CA -0.094 61.043 61.300 -0.271 0.000 1.144 5 I CB 2.146 39.826 38.000 -0.533 0.000 1.314 5 I HN 0.777 nan 8.210 nan 0.000 0.445 6 S N 3.931 119.456 115.700 -0.292 0.000 2.564 6 S HA 0.361 4.831 4.470 0.001 0.000 0.274 6 S C 0.282 174.838 174.600 -0.074 0.000 1.124 6 S CA -0.769 57.290 58.200 -0.235 0.000 0.869 6 S CB 2.074 65.289 63.200 0.026 0.000 1.105 6 S HN 0.694 nan 8.310 nan 0.000 0.472 7 Q N 1.257 121.033 119.800 -0.041 0.000 2.082 7 Q HA -0.248 4.092 4.340 0.001 0.000 0.211 7 Q C 2.420 178.494 176.000 0.123 0.000 1.002 7 Q CA 2.335 58.200 55.803 0.102 0.000 0.868 7 Q CB -0.684 28.034 28.738 -0.034 0.000 0.931 7 Q HN 0.949 nan 8.270 nan 0.000 0.414 8 A N 0.073 122.941 122.820 0.080 0.000 1.930 8 A HA -0.044 4.276 4.320 0.001 0.000 0.217 8 A C 1.130 178.840 177.584 0.211 0.000 1.175 8 A CA 0.945 53.066 52.037 0.140 0.000 0.627 8 A CB 0.112 19.193 19.000 0.136 0.000 0.815 8 A HN 0.300 nan 8.150 nan 0.000 0.443 9 L N -0.121 121.213 121.223 0.186 0.000 2.480 9 L HA 0.255 4.595 4.340 0.001 0.000 0.253 9 L C -2.088 174.841 176.870 0.098 0.000 1.324 9 L CA -1.157 53.808 54.840 0.208 0.000 0.916 9 L CB 2.235 44.419 42.059 0.207 0.000 1.160 9 L HN 0.105 nan 8.230 nan 0.000 0.503 10 P HA -0.012 nan 4.420 nan 0.000 0.241 10 P C 0.349 177.604 177.300 -0.074 0.000 1.191 10 P CA 0.558 63.666 63.100 0.013 0.000 0.771 10 P CB 0.673 32.527 31.700 0.258 0.000 0.929 11 V N 3.697 123.554 119.914 -0.095 0.000 2.284 11 V HA 0.269 4.389 4.120 0.001 0.000 0.274 11 V C -2.117 173.923 176.094 -0.091 0.000 1.023 11 V CA -1.858 60.331 62.300 -0.185 0.000 0.808 11 V CB 1.225 32.766 31.823 -0.470 0.000 1.035 11 V HN 0.040 nan 8.190 nan 0.000 0.445 12 P HA 0.364 nan 4.420 nan 0.000 0.274 12 P C -0.168 177.118 177.300 -0.024 0.000 1.231 12 P CA 0.038 63.125 63.100 -0.022 0.000 0.790 12 P CB 1.073 32.761 31.700 -0.020 0.000 0.951 13 T N -0.473 114.083 114.554 0.003 0.000 2.940 13 T HA 0.557 4.908 4.350 0.001 0.000 0.288 13 T C 0.197 174.908 174.700 0.018 0.000 1.033 13 T CA -1.048 61.056 62.100 0.006 0.000 1.033 13 T CB 1.232 70.111 68.868 0.018 0.000 1.079 13 T HN 0.145 nan 8.240 nan 0.000 0.496 14 R N 0.976 121.486 120.500 0.017 0.000 2.459 14 R HA 0.532 4.872 4.340 0.001 0.000 0.281 14 R C -0.558 175.759 176.300 0.027 0.000 1.050 14 R CA -1.179 54.933 56.100 0.020 0.000 1.055 14 R CB 0.564 30.875 30.300 0.017 0.000 1.045 14 R HN 0.647 nan 8.270 nan 0.000 0.495 15 I N 4.821 125.406 120.570 0.026 0.000 2.476 15 I HA 0.247 4.417 4.170 0.001 0.000 0.281 15 I C -1.977 174.151 176.117 0.018 0.000 1.040 15 I CA -2.171 59.144 61.300 0.026 0.000 1.094 15 I CB 1.574 39.593 38.000 0.030 0.000 1.219 15 I HN 0.296 nan 8.210 nan 0.000 0.450 16 P HA 0.606 nan 4.420 nan 0.000 0.274 16 P C -0.199 177.114 177.300 0.021 0.000 1.237 16 P CA -0.048 63.062 63.100 0.016 0.000 0.793 16 P CB 1.732 33.438 31.700 0.011 0.000 0.977 17 G N -1.032 107.783 108.800 0.024 0.000 2.547 17 G HA2 0.474 4.434 3.960 0.001 0.000 0.291 17 G HA3 0.474 4.434 3.960 0.001 0.000 0.291 17 G C -1.439 173.481 174.900 0.034 0.000 1.471 17 G CA -0.639 44.479 45.100 0.030 0.000 0.798 17 G HN 0.522 nan 8.290 nan 0.000 0.504 18 V N -1.483 118.455 119.914 0.040 0.000 2.320 18 V HA 0.808 4.928 4.120 0.001 0.000 0.268 18 V C 0.575 176.700 176.094 0.052 0.000 1.021 18 V CA -0.330 61.995 62.300 0.043 0.000 0.813 18 V CB 0.339 32.187 31.823 0.041 0.000 1.054 18 V HN 1.711 nan 8.190 nan 0.000 0.444 19 A N 3.626 126.475 122.820 0.048 0.000 2.386 19 A HA 0.591 4.911 4.320 0.001 0.000 0.248 19 A C 0.219 177.836 177.584 0.054 0.000 1.082 19 A CA -0.248 51.816 52.037 0.046 0.000 0.789 19 A CB 0.219 19.240 19.000 0.036 0.000 1.025 19 A HN 0.817 nan 8.150 nan 0.000 0.490 20 D N 0.048 120.484 120.400 0.059 0.000 2.478 20 D HA 0.547 5.187 4.640 0.001 0.000 0.263 20 D C -0.469 175.876 176.300 0.074 0.000 1.153 20 D CA -0.055 53.988 54.000 0.072 0.000 1.038 20 D CB 0.975 41.829 40.800 0.091 0.000 1.120 20 D HN 0.393 nan 8.370 nan 0.000 0.564 21 L N 0.433 121.712 121.223 0.094 0.000 2.346 21 L HA 0.517 4.857 4.340 0.001 0.000 0.276 21 L C -0.621 176.314 176.870 0.108 0.000 1.006 21 L CA -0.940 53.993 54.840 0.156 0.000 0.817 21 L CB 2.066 44.252 42.059 0.213 0.000 1.272 21 L HN -0.029 nan 8.230 nan 0.000 0.421 22 V N 1.183 121.153 119.914 0.093 0.000 2.638 22 V HA 0.737 4.857 4.120 0.001 0.000 0.306 22 V C 0.101 176.172 176.094 -0.039 0.000 1.052 22 V CA -0.492 61.800 62.300 -0.014 0.000 0.885 22 V CB 1.931 33.723 31.823 -0.052 0.000 0.999 22 V HN 0.881 nan 8.190 nan 0.000 0.424 23 G N 2.703 111.472 108.800 -0.051 0.000 2.590 23 G HA2 0.671 4.631 3.960 0.001 0.000 0.310 23 G HA3 0.671 4.631 3.960 0.001 0.000 0.310 23 G C -1.289 173.768 174.900 0.261 0.000 1.347 23 G CA -0.399 44.788 45.100 0.146 0.000 0.963 23 G HN 0.443 nan 8.290 nan 0.000 0.494 24 F N 2.684 122.861 119.950 0.378 0.000 2.329 24 F HA 0.467 4.994 4.527 0.000 0.000 0.362 24 F C 1.171 177.048 175.800 0.130 0.000 1.113 24 F CA -0.321 57.800 58.000 0.201 0.000 1.212 24 F CB 1.442 40.489 39.000 0.079 0.000 1.509 24 F HN 0.564 nan 8.300 nan 0.000 0.546 25 G N 1.488 110.377 108.800 0.147 0.000 2.568 25 G HA2 0.099 4.059 3.960 0.001 0.000 0.293 25 G HA3 0.099 4.059 3.960 0.001 0.000 0.293 25 G C 0.730 175.526 174.900 -0.173 0.000 1.347 25 G CA -0.572 44.177 45.100 -0.585 0.000 1.039 25 G HN 0.375 nan 8.290 nan 0.000 0.523 26 N N -0.003 118.525 118.700 -0.286 0.000 2.069 26 N HA -0.084 4.657 4.740 0.001 0.000 0.191 26 N C 2.157 177.707 175.510 0.068 0.000 1.031 26 N CA 1.643 54.661 53.050 -0.054 0.000 0.852 26 N CB -0.320 38.090 38.487 -0.128 0.000 1.018 26 N HN 0.511 nan 8.380 nan 0.000 0.423 27 G N -1.623 107.241 108.800 0.107 0.000 2.985 27 G HA2 0.471 4.431 3.960 0.001 0.000 0.209 27 G HA3 0.471 4.431 3.960 0.001 0.000 0.209 27 G C 0.522 175.448 174.900 0.043 0.000 1.165 27 G CA 0.513 45.681 45.100 0.113 0.000 0.776 27 G HN 0.659 nan 8.290 nan 0.000 0.541 28 G N -1.382 107.443 108.800 0.043 0.000 2.291 28 G HA2 0.207 4.168 3.960 0.001 0.000 0.249 28 G HA3 0.207 4.168 3.960 0.001 0.000 0.249 28 G C -1.487 173.287 174.900 -0.209 0.000 1.340 28 G CA -0.193 44.834 45.100 -0.121 0.000 1.017 28 G HN 0.536 nan 8.290 nan 0.000 0.470 29 V N 0.965 120.637 119.914 -0.403 0.000 2.427 29 V HA 0.705 4.825 4.120 0.001 0.000 0.286 29 V C -0.877 174.887 176.094 -0.550 0.000 1.034 29 V CA -0.362 61.679 62.300 -0.432 0.000 0.893 29 V CB 0.858 32.370 31.823 -0.517 0.000 0.982 29 V HN 0.598 nan 8.190 nan 0.000 0.452 30 Y N 4.745 124.974 120.300 -0.118 0.000 2.499 30 Y HA 0.761 5.311 4.550 0.001 0.000 0.347 30 Y C 0.159 176.012 175.900 -0.078 0.000 0.987 30 Y CA -0.954 57.130 58.100 -0.025 0.000 1.044 30 Y CB 2.019 40.550 38.460 0.119 0.000 1.245 30 Y HN 0.638 nan 8.280 nan 0.000 0.461 31 I N 0.448 121.090 120.570 0.120 0.000 2.785 31 I HA 0.714 4.884 4.170 0.001 0.000 0.302 31 I C -1.466 174.712 176.117 0.102 0.000 1.069 31 I CA -1.115 60.233 61.300 0.080 0.000 1.045 31 I CB 2.535 40.584 38.000 0.082 0.000 1.236 31 I HN 0.518 nan 8.210 nan 0.000 0.429 32 I N 4.184 124.805 120.570 0.085 0.000 2.390 32 I HA 0.387 4.557 4.170 0.001 0.000 0.283 32 I C -0.272 175.893 176.117 0.080 0.000 1.016 32 I CA -0.612 60.731 61.300 0.071 0.000 1.151 32 I CB 1.358 39.387 38.000 0.048 0.000 1.293 32 I HN 0.575 nan 8.210 nan 0.000 0.458 33 R N 5.661 126.214 120.500 0.087 0.000 2.316 33 R HA 0.113 4.453 4.340 0.001 0.000 0.314 33 R C 0.093 176.434 176.300 0.069 0.000 1.069 33 R CA -0.085 56.076 56.100 0.101 0.000 0.959 33 R CB 0.196 30.556 30.300 0.100 0.000 0.987 33 R HN 0.500 nan 8.270 nan 0.000 0.446 34 N N 2.921 121.664 118.700 0.072 0.000 2.416 34 N HA 0.010 4.750 4.740 0.001 0.000 0.271 34 N C -1.367 174.166 175.510 0.039 0.000 1.245 34 N CA 0.762 53.842 53.050 0.050 0.000 0.940 34 N CB 0.205 38.724 38.487 0.055 0.000 1.175 34 N HN 0.781 nan 8.380 nan 0.000 0.483 35 S N 2.089 117.804 115.700 0.025 0.000 2.669 35 S HA 0.193 4.663 4.470 0.001 0.000 0.266 35 S C 0.932 175.538 174.600 0.009 0.000 1.149 35 S CA -0.821 57.387 58.200 0.014 0.000 0.842 35 S CB 0.186 63.392 63.200 0.010 0.000 1.160 35 S HN 0.222 nan 8.310 nan 0.000 0.487 36 L N -0.214 121.011 121.223 0.003 0.000 2.265 36 L HA 0.163 4.504 4.340 0.001 0.000 0.215 36 L C 0.586 177.457 176.870 0.001 0.000 1.117 36 L CA 0.962 55.803 54.840 0.002 0.000 0.782 36 L CB -0.414 41.644 42.059 -0.001 0.000 0.914 36 L HN 0.565 nan 8.230 nan 0.000 0.441 37 L N 0.658 121.883 121.223 0.003 0.000 2.280 37 L HA 0.460 4.800 4.340 0.001 0.000 0.287 37 L C -0.528 176.346 176.870 0.006 0.000 1.023 37 L CA -0.287 54.555 54.840 0.003 0.000 0.819 37 L CB 1.019 43.081 42.059 0.005 0.000 1.212 37 L HN -0.112 nan 8.230 nan 0.000 0.420 38 I N 6.252 126.823 120.570 0.001 0.000 2.359 38 I HA 0.413 4.583 4.170 0.001 0.000 0.284 38 I C -0.444 175.671 176.117 -0.003 0.000 1.018 38 I CA -0.245 61.054 61.300 -0.002 0.000 1.173 38 I CB 0.898 38.888 38.000 -0.016 0.000 1.326 38 I HN 0.701 nan 8.210 nan 0.000 0.462 39 Q N 4.733 124.540 119.800 0.011 0.000 2.462 39 Q HA 0.665 5.005 4.340 0.001 0.000 0.285 39 Q C -1.649 174.373 176.000 0.038 0.000 1.035 39 Q CA -1.052 54.762 55.803 0.018 0.000 0.799 39 Q CB 2.473 31.226 28.738 0.026 0.000 1.452 39 Q HN 0.226 nan 8.270 nan 0.000 0.404 40 V N 1.285 121.226 119.914 0.046 0.000 2.607 40 V HA 0.449 4.570 4.120 0.001 0.000 0.289 40 V C -0.414 175.764 176.094 0.140 0.000 1.053 40 V CA -0.437 61.916 62.300 0.090 0.000 0.996 40 V CB 1.385 33.248 31.823 0.067 0.000 0.995 40 V HN 0.605 nan 8.190 nan 0.000 0.476 41 V N 4.526 124.549 119.914 0.182 0.000 2.569 41 V HA 0.361 4.481 4.120 0.001 0.000 0.301 41 V C -0.081 176.115 176.094 0.170 0.000 1.044 41 V CA -1.026 61.370 62.300 0.161 0.000 0.874 41 V CB 1.774 33.666 31.823 0.116 0.000 1.002 41 V HN 0.885 nan 8.190 nan 0.000 0.424 42 K N 2.971 123.447 120.400 0.126 0.000 2.298 42 K HA 0.439 4.760 4.320 0.001 0.000 0.280 42 K C 0.574 177.109 176.600 -0.109 0.000 1.032 42 K CA -0.017 56.169 56.287 -0.169 0.000 0.958 42 K CB 1.394 33.769 32.500 -0.208 0.000 0.978 42 K HN 0.618 nan 8.250 nan 0.000 0.472 43 V N 1.925 121.734 119.914 -0.174 0.000 3.480 43 V HA 0.366 4.486 4.120 0.001 0.000 0.263 43 V C 0.203 176.271 176.094 -0.044 0.000 1.442 43 V CA -0.237 62.047 62.300 -0.028 0.000 1.053 43 V CB 0.075 31.957 31.823 0.099 0.000 0.846 43 V HN 0.579 nan 8.190 nan 0.000 0.440 44 I N 1.706 122.182 120.570 -0.158 0.000 2.548 44 I HA 0.365 4.536 4.170 0.001 0.000 0.287 44 I C -0.562 175.483 176.117 -0.121 0.000 1.103 44 I CA -0.225 61.028 61.300 -0.078 0.000 1.049 44 I CB 2.051 40.039 38.000 -0.020 0.000 1.232 44 I HN 0.073 nan 8.210 nan 0.000 0.429 45 N N 6.130 124.781 118.700 -0.082 0.000 3.178 45 N HA 0.161 4.901 4.740 0.001 0.000 0.300 45 N C -0.791 174.658 175.510 -0.101 0.000 1.242 45 N CA 0.232 53.227 53.050 -0.091 0.000 1.192 45 N CB 0.113 38.562 38.487 -0.064 0.000 1.463 45 N HN 0.589 nan 8.380 nan 0.000 0.539 46 N N 0.416 119.051 118.700 -0.108 0.000 3.465 46 N HA 0.102 4.843 4.740 0.001 0.000 0.244 46 N C -0.741 174.663 175.510 -0.177 0.000 1.454 46 N CA -0.338 52.578 53.050 -0.223 0.000 0.865 46 N CB 0.346 38.584 38.487 -0.415 0.000 1.439 46 N HN 0.157 nan 8.380 nan 0.000 0.480 47 F N -1.814 117.809 119.950 -0.544 0.000 2.988 47 F HA -0.123 4.405 4.527 0.000 0.000 0.287 47 F C 0.763 176.240 175.800 -0.538 0.000 0.781 47 F CA 1.152 58.458 58.000 -1.157 0.000 1.221 47 F CB -1.604 37.038 39.000 -0.597 0.000 1.392 47 F HN 0.448 nan 8.300 nan 0.000 0.425 48 G N -1.830 106.936 108.800 -0.056 0.000 2.453 48 G HA2 0.413 4.373 3.960 0.001 0.000 0.323 48 G HA3 0.413 4.373 3.960 0.001 0.000 0.323 48 G C 0.132 175.183 174.900 0.251 0.000 1.198 48 G CA -0.503 44.683 45.100 0.143 0.000 0.959 48 G HN 0.094 nan 8.290 nan 0.000 0.482 49 Y N 0.622 120.992 120.300 0.118 0.000 2.062 49 Y HA -0.271 4.280 4.550 0.001 0.000 0.276 49 Y C 2.086 178.020 175.900 0.056 0.000 1.189 49 Y CA 2.768 60.922 58.100 0.090 0.000 1.130 49 Y CB 0.401 38.872 38.460 0.017 0.000 0.959 49 Y HN 0.483 nan 8.280 nan 0.000 0.499 50 D N -0.691 119.844 120.400 0.224 0.000 2.301 50 D HA 0.140 4.780 4.640 0.001 0.000 0.206 50 D C 0.663 176.989 176.300 0.044 0.000 0.979 50 D CA 0.882 54.949 54.000 0.112 0.000 0.874 50 D CB -0.205 40.672 40.800 0.127 0.000 0.968 50 D HN 0.257 nan 8.370 nan 0.000 0.510 51 A N 0.498 123.354 122.820 0.061 0.000 3.056 51 A HA 0.518 4.838 4.320 0.001 0.000 0.274 51 A C 1.198 178.802 177.584 0.033 0.000 1.661 51 A CA 0.399 52.445 52.037 0.015 0.000 1.363 51 A CB -0.647 18.348 19.000 -0.008 0.000 1.139 51 A HN 0.210 nan 8.150 nan 0.000 0.598 52 G N -0.247 108.549 108.800 -0.008 0.000 2.168 52 G HA2 0.191 4.151 3.960 0.001 0.000 0.197 52 G HA3 0.191 4.151 3.960 0.001 0.000 0.197 52 G C 1.269 176.063 174.900 -0.177 0.000 0.997 52 G CA 0.429 45.499 45.100 -0.049 0.000 0.658 52 G HN 2.285 nan 8.290 nan 0.000 0.513 53 G N -1.037 107.681 108.800 -0.137 0.000 2.249 53 G HA2 -0.266 3.694 3.960 0.001 0.000 0.273 53 G HA3 -0.266 3.694 3.960 0.001 0.000 0.273 53 G C 0.409 175.116 174.900 -0.322 0.000 1.036 53 G CA 0.597 45.532 45.100 -0.275 0.000 0.824 53 G HN 1.124 nan 8.290 nan 0.000 0.504 54 W N -0.297 120.852 121.300 -0.251 0.000 2.216 54 W HA 0.685 5.346 4.660 0.001 0.000 0.326 54 W C 0.850 177.379 176.519 0.016 0.000 1.319 54 W CA -0.412 56.849 57.345 -0.139 0.000 1.213 54 W CB 0.621 30.037 29.460 -0.074 0.000 1.171 54 W HN -0.004 nan 8.180 nan 0.000 0.557 55 R N 2.749 123.524 120.500 0.459 0.000 2.483 55 R HA 0.218 4.558 4.340 0.001 0.000 0.303 55 R C 0.625 177.060 176.300 0.225 0.000 0.987 55 R CA -0.711 55.531 56.100 0.237 0.000 0.881 55 R CB 1.322 31.638 30.300 0.027 0.000 1.177 55 R HN 0.435 nan 8.270 nan 0.000 0.451 56 V N 2.451 122.488 119.914 0.204 0.000 2.277 56 V HA -0.305 3.815 4.120 0.001 0.000 0.253 56 V C 2.026 178.177 176.094 0.095 0.000 1.067 56 V CA 2.440 64.832 62.300 0.153 0.000 1.047 56 V CB -0.158 31.742 31.823 0.129 0.000 0.649 56 V HN 0.706 nan 8.190 nan 0.000 0.447 57 E N -0.341 119.889 120.200 0.049 0.000 2.502 57 E HA -0.115 4.235 4.350 0.001 0.000 0.194 57 E C 1.372 177.941 176.600 -0.051 0.000 1.062 57 E CA 0.659 57.066 56.400 0.011 0.000 0.867 57 E CB 0.019 29.724 29.700 0.008 0.000 0.888 57 E HN 0.622 nan 8.360 nan 0.000 0.510 58 K N -0.555 119.740 120.400 -0.175 0.000 2.574 58 K HA 0.187 4.508 4.320 0.001 0.000 0.215 58 K C -0.169 176.151 176.600 -0.466 0.000 1.485 58 K CA 0.071 56.099 56.287 -0.431 0.000 1.006 58 K CB 0.796 32.684 32.500 -1.020 0.000 1.254 58 K HN 0.128 nan 8.250 nan 0.000 0.580 59 H N -0.820 118.336 119.070 0.144 0.000 2.894 59 H HA 0.485 5.041 4.556 0.000 0.000 0.368 59 H C -1.356 174.161 175.328 0.315 0.000 1.181 59 H CA -1.036 55.161 56.048 0.249 0.000 1.146 59 H CB 2.533 32.441 29.762 0.243 0.000 1.839 59 H HN -0.273 nan 8.280 nan 0.000 0.557 60 V N 1.817 122.062 119.914 0.551 0.000 2.531 60 V HA 0.442 4.562 4.120 0.001 0.000 0.301 60 V C -0.487 175.832 176.094 0.375 0.000 1.034 60 V CA -0.694 61.847 62.300 0.401 0.000 0.865 60 V CB 1.611 33.611 31.823 0.295 0.000 0.995 60 V HN 0.646 nan 8.190 nan 0.000 0.424 61 R N 4.726 125.277 120.500 0.084 0.000 2.437 61 R HA 0.860 5.200 4.340 0.001 0.000 0.310 61 R C -1.226 174.976 176.300 -0.164 0.000 0.955 61 R CA -0.394 55.513 56.100 -0.322 0.000 0.851 61 R CB 1.755 31.366 30.300 -1.147 0.000 1.161 61 R HN 0.592 nan 8.270 nan 0.000 0.446 62 L N 2.735 123.874 121.223 -0.140 0.000 2.301 62 L HA 0.662 5.003 4.340 0.001 0.000 0.249 62 L C -1.135 175.673 176.870 -0.104 0.000 1.069 62 L CA -1.226 53.539 54.840 -0.125 0.000 0.865 62 L CB 1.619 43.669 42.059 -0.016 0.000 1.467 62 L HN 0.342 nan 8.230 nan 0.000 0.419 63 L N 0.638 121.748 121.223 -0.188 0.000 2.381 63 L HA 0.968 5.308 4.340 0.001 0.000 0.268 63 L C -0.663 176.147 176.870 -0.099 0.000 0.997 63 L CA -0.320 54.446 54.840 -0.124 0.000 0.818 63 L CB 2.017 43.995 42.059 -0.135 0.000 1.310 63 L HN 0.723 nan 8.230 nan 0.000 0.416 64 A N 0.872 123.661 122.820 -0.052 0.000 2.590 64 A HA 0.441 4.761 4.320 0.001 0.000 0.296 64 A C -1.855 175.729 177.584 -0.000 0.000 1.050 64 A CA -0.637 51.385 52.037 -0.024 0.000 0.697 64 A CB 1.355 20.356 19.000 0.001 0.000 1.277 64 A HN 0.618 nan 8.150 nan 0.000 0.411 65 D N 2.179 122.578 120.400 -0.001 0.000 2.359 65 D HA 0.280 4.920 4.640 0.001 0.000 0.250 65 D C 1.433 177.752 176.300 0.031 0.000 1.264 65 D CA 0.915 54.917 54.000 0.005 0.000 0.911 65 D CB 0.799 41.594 40.800 -0.009 0.000 1.056 65 D HN 0.621 nan 8.370 nan 0.000 0.499 66 T N -0.574 114.014 114.554 0.056 0.000 3.086 66 T HA -0.020 4.331 4.350 0.001 0.000 0.250 66 T C 1.395 176.109 174.700 0.025 0.000 1.074 66 T CA 0.842 63.001 62.100 0.098 0.000 0.988 66 T CB 0.023 69.016 68.868 0.208 0.000 0.988 66 T HN 0.373 nan 8.240 nan 0.000 0.530 67 T N -3.031 111.526 114.554 0.005 0.000 2.987 67 T HA 0.502 4.852 4.350 0.001 0.000 0.248 67 T C 1.757 176.442 174.700 -0.025 0.000 0.997 67 T CA 0.738 62.826 62.100 -0.019 0.000 1.013 67 T CB -0.027 68.837 68.868 -0.007 0.000 1.077 67 T HN 0.976 nan 8.240 nan 0.000 0.483 68 G N 2.696 111.486 108.800 -0.016 0.000 2.135 68 G HA2 -0.141 3.819 3.960 0.001 0.000 0.183 68 G HA3 -0.141 3.819 3.960 0.001 0.000 0.183 68 G C 0.130 175.024 174.900 -0.010 0.000 1.004 68 G CA 0.316 45.407 45.100 -0.015 0.000 0.677 68 G HN 0.734 nan 8.290 nan 0.000 0.512 69 D N -0.007 120.388 120.400 -0.008 0.000 2.368 69 D HA 0.156 4.796 4.640 0.001 0.000 0.218 69 D C 1.055 177.359 176.300 0.006 0.000 1.112 69 D CA -0.220 53.779 54.000 -0.000 0.000 0.834 69 D CB -0.413 40.387 40.800 0.001 0.000 0.953 69 D HN 0.197 nan 8.370 nan 0.000 0.505 70 N N 0.285 118.984 118.700 -0.002 0.000 2.741 70 N HA -0.192 4.548 4.740 0.001 0.000 0.251 70 N C -0.782 174.717 175.510 -0.018 0.000 1.112 70 N CA 0.731 53.780 53.050 -0.002 0.000 0.750 70 N CB -1.312 37.183 38.487 0.014 0.000 1.119 70 N HN 0.581 nan 8.380 nan 0.000 0.561 71 Q N -0.270 119.502 119.800 -0.047 0.000 2.309 71 Q HA 0.510 4.850 4.340 0.001 0.000 0.264 71 Q C -0.399 175.522 176.000 -0.131 0.000 1.008 71 Q CA -0.391 55.323 55.803 -0.148 0.000 0.853 71 Q CB 2.140 30.802 28.738 -0.126 0.000 1.314 71 Q HN 0.071 nan 8.270 nan 0.000 0.448 72 S N 1.533 117.126 115.700 -0.179 0.000 2.480 72 S HA 0.252 4.723 4.470 0.001 0.000 0.286 72 S C -0.957 173.674 174.600 0.052 0.000 1.180 72 S CA -0.670 57.488 58.200 -0.071 0.000 1.075 72 S CB 0.416 63.562 63.200 -0.089 0.000 0.996 72 S HN 0.406 nan 8.310 nan 0.000 0.487 73 D N 2.199 122.642 120.400 0.072 0.000 2.326 73 D HA 0.381 5.021 4.640 0.001 0.000 0.251 73 D C -0.393 175.927 176.300 0.034 0.000 1.023 73 D CA -0.364 53.730 54.000 0.157 0.000 0.966 73 D CB 1.535 42.397 40.800 0.104 0.000 1.156 73 D HN 0.272 nan 8.370 nan 0.000 0.494 74 V N 1.138 121.020 119.914 -0.053 0.000 2.509 74 V HA 0.345 4.465 4.120 0.001 0.000 0.284 74 V C 0.096 176.010 176.094 -0.300 0.000 1.047 74 V CA -0.488 61.633 62.300 -0.298 0.000 0.952 74 V CB 1.685 33.136 31.823 -0.620 0.000 0.988 74 V HN 0.250 nan 8.190 nan 0.000 0.469 75 V N 3.494 123.222 119.914 -0.310 0.000 2.577 75 V HA 0.816 4.936 4.120 0.001 0.000 0.303 75 V C 0.310 176.242 176.094 -0.270 0.000 1.042 75 V CA -0.318 61.832 62.300 -0.250 0.000 0.872 75 V CB 1.973 33.669 31.823 -0.212 0.000 0.998 75 V HN 0.981 nan 8.190 nan 0.000 0.423 76 G N 3.039 111.808 108.800 -0.052 0.000 2.609 76 G HA2 0.661 4.621 3.960 0.001 0.000 0.308 76 G HA3 0.661 4.621 3.960 0.001 0.000 0.308 76 G C -1.268 173.845 174.900 0.355 0.000 1.369 76 G CA -0.423 44.817 45.100 0.233 0.000 0.958 76 G HN 0.430 nan 8.290 nan 0.000 0.499 77 F N 2.829 123.081 119.950 0.503 0.000 2.406 77 F HA 0.447 4.974 4.527 0.000 0.000 0.358 77 F C 1.268 177.336 175.800 0.447 0.000 1.161 77 F CA -0.137 58.076 58.000 0.355 0.000 1.185 77 F CB 1.347 40.448 39.000 0.167 0.000 1.421 77 F HN 0.569 nan 8.300 nan 0.000 0.576 78 G N 1.581 110.651 108.800 0.450 0.000 2.531 78 G HA2 0.102 4.062 3.960 0.001 0.000 0.253 78 G HA3 0.102 4.062 3.960 0.001 0.000 0.253 78 G C 0.716 175.718 174.900 0.170 0.000 1.439 78 G CA -0.167 44.867 45.100 -0.110 0.000 1.056 78 G HN 0.472 nan 8.290 nan 0.000 0.555 79 E N -0.520 119.634 120.200 -0.078 0.000 2.072 79 E HA -0.038 4.313 4.350 0.001 0.000 0.190 79 E C 1.632 178.338 176.600 0.177 0.000 0.982 79 E CA 1.336 57.819 56.400 0.138 0.000 0.803 79 E CB 0.125 29.805 29.700 -0.034 0.000 0.755 79 E HN 0.416 nan 8.360 nan 0.000 0.453 80 N N -0.961 117.833 118.700 0.157 0.000 2.159 80 N HA 0.254 4.995 4.740 0.001 0.000 0.217 80 N C -0.011 175.540 175.510 0.068 0.000 1.223 80 N CA 0.716 53.842 53.050 0.126 0.000 0.896 80 N CB 1.912 40.467 38.487 0.114 0.000 1.064 80 N HN 0.159 nan 8.380 nan 0.000 0.518 81 G N -0.417 108.431 108.800 0.080 0.000 2.325 81 G HA2 0.287 4.247 3.960 0.001 0.000 0.295 81 G HA3 0.287 4.247 3.960 0.001 0.000 0.295 81 G C -1.976 172.878 174.900 -0.078 0.000 1.274 81 G CA -0.464 44.586 45.100 -0.082 0.000 0.857 81 G HN -0.127 nan 8.290 nan 0.000 0.499 82 V N 0.250 120.010 119.914 -0.257 0.000 2.370 82 V HA 0.598 4.719 4.120 0.001 0.000 0.283 82 V C -1.112 174.794 176.094 -0.313 0.000 1.023 82 V CA -0.225 61.914 62.300 -0.268 0.000 0.857 82 V CB 1.161 32.724 31.823 -0.433 0.000 0.985 82 V HN 0.574 nan 8.190 nan 0.000 0.443 83 W N 5.510 126.815 121.300 0.009 0.000 2.417 83 W HA 0.733 5.394 4.660 0.001 0.000 0.315 83 W C -0.354 176.281 176.519 0.194 0.000 1.045 83 W CA -0.337 57.090 57.345 0.137 0.000 1.221 83 W CB 1.427 31.034 29.460 0.245 0.000 1.309 83 W HN 0.337 nan 8.180 nan 0.000 0.453 84 I N 2.788 123.569 120.570 0.351 0.000 2.474 84 I HA 0.322 4.492 4.170 0.001 0.000 0.294 84 I C -0.050 176.266 176.117 0.331 0.000 1.005 84 I CA -0.864 60.585 61.300 0.248 0.000 1.113 84 I CB 1.954 40.023 38.000 0.115 0.000 1.289 84 I HN 0.146 nan 8.210 nan 0.000 0.436 85 S N 3.645 119.517 115.700 0.286 0.000 2.532 85 S HA 0.276 4.746 4.470 0.001 0.000 0.318 85 S C 0.146 174.922 174.600 0.294 0.000 1.083 85 S CA -0.677 57.699 58.200 0.294 0.000 1.131 85 S CB 0.824 64.210 63.200 0.311 0.000 0.973 85 S HN 0.756 nan 8.310 nan 0.000 0.468 86 T N 1.456 116.149 114.554 0.232 0.000 2.898 86 T HA 0.237 4.587 4.350 0.001 0.000 0.301 86 T C 0.222 174.978 174.700 0.093 0.000 1.049 86 T CA -0.720 61.482 62.100 0.170 0.000 1.095 86 T CB 0.352 69.276 68.868 0.093 0.000 0.976 86 T HN 0.396 nan 8.240 nan 0.000 0.539 87 N N 1.690 120.324 118.700 -0.110 0.000 2.442 87 N HA 0.089 4.829 4.740 0.001 0.000 0.265 87 N C 0.445 175.739 175.510 -0.360 0.000 1.138 87 N CA -0.369 52.303 53.050 -0.630 0.000 0.956 87 N CB 0.360 38.538 38.487 -0.516 0.000 1.067 87 N HN 0.530 nan 8.380 nan 0.000 0.474 88 N N 2.456 120.922 118.700 -0.391 0.000 2.461 88 N HA 0.052 4.792 4.740 0.001 0.000 0.188 88 N C 0.928 176.381 175.510 -0.096 0.000 1.134 88 N CA 0.798 53.750 53.050 -0.164 0.000 0.878 88 N CB 0.122 38.542 38.487 -0.111 0.000 0.972 88 N HN 0.822 nan 8.380 nan 0.000 0.456 89 G N 1.490 110.258 108.800 -0.053 0.000 2.175 89 G HA2 -0.260 3.701 3.960 0.001 0.000 0.244 89 G HA3 -0.260 3.701 3.960 0.001 0.000 0.244 89 G C 0.121 174.992 174.900 -0.049 0.000 0.982 89 G CA 0.303 45.444 45.100 0.069 0.000 0.641 89 G HN 0.533 nan 8.290 nan 0.000 0.527 90 N N -0.305 118.363 118.700 -0.053 0.000 2.547 90 N HA 0.163 4.903 4.740 0.001 0.000 0.285 90 N C 0.403 175.894 175.510 -0.030 0.000 1.600 90 N CA -0.012 52.982 53.050 -0.092 0.000 0.872 90 N CB -0.501 37.949 38.487 -0.062 0.000 1.412 90 N HN 0.156 nan 8.380 nan 0.000 0.489 91 N N -0.026 118.708 118.700 0.056 0.000 2.741 91 N HA -0.155 4.585 4.740 0.001 0.000 0.250 91 N C -0.766 174.829 175.510 0.141 0.000 1.115 91 N CA 1.816 54.957 53.050 0.152 0.000 0.724 91 N CB -1.809 36.741 38.487 0.106 0.000 1.090 91 N HN 0.862 nan 8.380 nan 0.000 0.558 92 T N -3.384 111.188 114.554 0.029 0.000 2.896 92 T HA 0.799 5.150 4.350 0.001 0.000 0.297 92 T C -0.692 173.925 174.700 -0.138 0.000 1.108 92 T CA -0.750 61.399 62.100 0.081 0.000 1.004 92 T CB 1.954 70.848 68.868 0.043 0.000 1.159 92 T HN 0.023 nan 8.240 nan 0.000 0.499 93 F N 0.478 120.443 119.950 0.024 0.000 2.556 93 F HA 0.539 5.066 4.527 0.000 0.000 0.314 93 F C 0.172 175.995 175.800 0.037 0.000 1.106 93 F CA -1.352 56.663 58.000 0.024 0.000 0.911 93 F CB 2.177 41.178 39.000 0.002 0.000 1.190 93 F HN 0.462 nan 8.300 nan 0.000 0.448 94 V N 2.465 122.486 119.914 0.178 0.000 2.742 94 V HA -0.136 3.985 4.120 0.001 0.000 0.302 94 V C -0.349 175.853 176.094 0.181 0.000 1.133 94 V CA 1.072 63.462 62.300 0.150 0.000 1.284 94 V CB -0.238 31.670 31.823 0.141 0.000 0.850 94 V HN 0.627 nan 8.190 nan 0.000 0.494 95 D N 5.762 126.240 120.400 0.130 0.000 2.855 95 D HA 0.507 5.147 4.640 0.001 0.000 0.241 95 D C -2.039 174.304 176.300 0.072 0.000 1.277 95 D CA -1.147 52.916 54.000 0.105 0.000 0.918 95 D CB 2.123 42.971 40.800 0.080 0.000 1.462 95 D HN 0.428 nan 8.370 nan 0.000 0.559 96 P HA 0.486 nan 4.420 nan 0.000 0.276 96 P C -2.716 174.671 177.300 0.145 0.000 1.261 96 P CA -1.185 61.949 63.100 0.056 0.000 0.800 96 P CB 0.151 31.862 31.700 0.018 0.000 1.066 97 P HA 0.190 nan 4.420 nan 0.000 0.274 97 P C -0.604 176.983 177.300 0.478 0.000 1.246 97 P CA -0.200 63.115 63.100 0.358 0.000 0.795 97 P CB 0.855 32.833 31.700 0.464 0.000 1.006 98 K N 1.573 122.193 120.400 0.368 0.000 2.213 98 K HA 0.324 4.644 4.320 0.001 0.000 0.270 98 K C 0.290 176.867 176.600 -0.037 0.000 1.002 98 K CA -0.901 55.513 56.287 0.210 0.000 0.868 98 K CB 0.885 33.456 32.500 0.118 0.000 1.093 98 K HN 0.470 nan 8.250 nan 0.000 0.454 99 M N 4.630 123.900 119.600 -0.549 0.000 2.364 99 M HA -0.029 4.452 4.480 0.001 0.000 0.342 99 M C 0.716 176.752 176.300 -0.439 0.000 1.601 99 M CA 0.364 55.047 55.300 -1.028 0.000 1.156 99 M CB 0.319 32.058 32.600 -1.435 0.000 1.912 99 M HN 0.553 nan 8.290 nan 0.000 0.460 100 V N 4.781 124.491 119.914 -0.340 0.000 3.644 100 V HA 0.370 4.490 4.120 0.001 0.000 0.267 100 V C -0.013 176.002 176.094 -0.131 0.000 1.277 100 V CA 0.046 62.256 62.300 -0.150 0.000 1.096 100 V CB 0.492 32.270 31.823 -0.076 0.000 0.828 100 V HN 0.694 nan 8.190 nan 0.000 0.446 101 L N 0.994 122.091 121.223 -0.211 0.000 2.751 101 L HA 0.766 5.106 4.340 0.001 0.000 0.261 101 L C -0.110 176.684 176.870 -0.125 0.000 0.927 101 L CA 0.132 54.904 54.840 -0.113 0.000 0.968 101 L CB 1.569 43.599 42.059 -0.049 0.000 1.432 101 L HN 0.077 nan 8.230 nan 0.000 0.439 102 A N 3.782 126.545 122.820 -0.095 0.000 3.063 102 A HA 0.626 4.946 4.320 0.001 0.000 0.263 102 A C -0.028 177.524 177.584 -0.053 0.000 1.736 102 A CA 0.078 52.067 52.037 -0.079 0.000 1.408 102 A CB -0.950 18.012 19.000 -0.065 0.000 1.108 102 A HN 0.643 nan 8.150 nan 0.000 0.621 103 N N -0.852 117.824 118.700 -0.041 0.000 3.277 103 N HA 0.430 5.171 4.740 0.001 0.000 0.278 103 N C -0.333 175.138 175.510 -0.065 0.000 1.544 103 N CA -0.857 52.127 53.050 -0.111 0.000 0.869 103 N CB 0.401 38.733 38.487 -0.258 0.000 1.584 103 N HN 0.241 nan 8.380 nan 0.000 0.564 104 F N -1.771 117.961 119.950 -0.364 0.000 3.084 104 F HA -0.152 4.376 4.527 0.001 0.000 0.286 104 F C 0.068 175.518 175.800 -0.583 0.000 0.855 104 F CA 0.972 58.316 58.000 -1.093 0.000 1.091 104 F CB -1.761 36.895 39.000 -0.573 0.000 1.177 104 F HN 0.527 nan 8.300 nan 0.000 0.542 105 A N -1.660 121.154 122.820 -0.010 0.000 2.515 105 A HA 0.640 4.961 4.320 0.001 0.000 0.296 105 A C 0.362 178.148 177.584 0.336 0.000 1.094 105 A CA -0.495 51.685 52.037 0.238 0.000 0.718 105 A CB 0.533 19.654 19.000 0.202 0.000 1.307 105 A HN 0.112 nan 8.150 nan 0.000 0.408 106 Y N 1.311 121.738 120.300 0.212 0.000 2.081 106 Y HA -0.175 4.375 4.550 0.001 0.000 0.280 106 Y C 2.177 178.142 175.900 0.109 0.000 1.163 106 Y CA 3.428 61.617 58.100 0.148 0.000 1.135 106 Y CB 0.056 38.551 38.460 0.058 0.000 0.970 106 Y HN 0.660 nan 8.280 nan 0.000 0.498 107 A N -1.217 121.773 122.820 0.284 0.000 2.308 107 A HA 0.626 4.946 4.320 0.001 0.000 0.217 107 A C 0.615 178.253 177.584 0.090 0.000 1.216 107 A CA 0.374 52.507 52.037 0.159 0.000 0.864 107 A CB -0.489 18.616 19.000 0.175 0.000 0.902 107 A HN 0.347 nan 8.150 nan 0.000 0.499 108 A N -1.071 121.814 122.820 0.109 0.000 2.646 108 A HA 0.562 4.882 4.320 0.001 0.000 0.312 108 A C 0.833 178.482 177.584 0.110 0.000 1.245 108 A CA 0.259 52.336 52.037 0.067 0.000 0.755 108 A CB -0.252 18.772 19.000 0.040 0.000 1.132 108 A HN 1.619 nan 8.150 nan 0.000 0.458 109 G N 0.626 109.470 108.800 0.073 0.000 2.231 109 G HA2 0.211 4.171 3.960 0.001 0.000 0.206 109 G HA3 0.211 4.171 3.960 0.001 0.000 0.206 109 G C 1.491 176.364 174.900 -0.045 0.000 0.996 109 G CA 0.775 45.931 45.100 0.093 0.000 0.645 109 G HN 2.517 nan 8.290 nan 0.000 0.498 110 G N -0.796 107.989 108.800 -0.025 0.000 2.198 110 G HA2 -0.264 3.696 3.960 0.001 0.000 0.260 110 G HA3 -0.264 3.696 3.960 0.001 0.000 0.260 110 G C 0.371 175.168 174.900 -0.171 0.000 1.025 110 G CA 0.582 45.578 45.100 -0.173 0.000 0.769 110 G HN 1.133 nan 8.290 nan 0.000 0.507 111 W N -0.128 121.109 121.300 -0.106 0.000 2.181 111 W HA 0.680 5.340 4.660 0.000 0.000 0.335 111 W C 0.904 177.464 176.519 0.068 0.000 1.310 111 W CA -0.252 57.146 57.345 0.088 0.000 1.226 111 W CB 0.554 30.065 29.460 0.084 0.000 1.155 111 W HN 0.017 nan 8.180 nan 0.000 0.565 112 R N 2.284 122.998 120.500 0.357 0.000 2.538 112 R HA 0.225 4.566 4.340 0.001 0.000 0.292 112 R C 0.436 176.759 176.300 0.039 0.000 1.008 112 R CA -0.735 55.383 56.100 0.031 0.000 0.896 112 R CB 1.470 31.610 30.300 -0.267 0.000 1.187 112 R HN 0.407 nan 8.270 nan 0.000 0.440 113 V N 2.234 122.208 119.914 0.100 0.000 2.392 113 V HA -0.238 3.882 4.120 0.001 0.000 0.249 113 V C 2.042 178.152 176.094 0.026 0.000 1.059 113 V CA 2.229 64.581 62.300 0.087 0.000 1.051 113 V CB -0.213 31.662 31.823 0.085 0.000 0.658 113 V HN 0.685 nan 8.190 nan 0.000 0.455 114 E N -0.088 120.096 120.200 -0.027 0.000 2.489 114 E HA -0.090 4.260 4.350 0.001 0.000 0.193 114 E C 1.498 178.047 176.600 -0.085 0.000 1.057 114 E CA 0.587 56.965 56.400 -0.036 0.000 0.866 114 E CB 0.110 29.795 29.700 -0.025 0.000 0.916 114 E HN 0.560 nan 8.360 nan 0.000 0.500 115 K N -0.569 119.678 120.400 -0.256 0.000 2.436 115 K HA 0.204 4.525 4.320 0.001 0.000 0.198 115 K C 0.101 176.583 176.600 -0.197 0.000 1.174 115 K CA 0.215 56.265 56.287 -0.395 0.000 0.951 115 K CB 0.734 32.589 32.500 -1.074 0.000 1.040 115 K HN 0.174 nan 8.250 nan 0.000 0.536 116 H N -1.032 118.094 119.070 0.094 0.000 2.908 116 H HA 0.532 5.088 4.556 0.001 0.000 0.350 116 H C -1.015 174.411 175.328 0.163 0.000 1.217 116 H CA -1.085 55.055 56.048 0.153 0.000 1.168 116 H CB 2.383 32.238 29.762 0.156 0.000 1.891 116 H HN -0.178 nan 8.280 nan 0.000 0.566 117 I N 0.764 121.550 120.570 0.361 0.000 2.686 117 I HA 0.421 4.592 4.170 0.001 0.000 0.295 117 I C -0.917 175.161 176.117 -0.064 0.000 1.114 117 I CA -0.600 60.719 61.300 0.032 0.000 1.038 117 I CB 2.348 40.219 38.000 -0.215 0.000 1.238 117 I HN 0.357 nan 8.210 nan 0.000 0.420 118 R N 4.793 125.052 120.500 -0.401 0.000 2.538 118 R HA 0.677 5.017 4.340 0.001 0.000 0.292 118 R C -1.667 174.349 176.300 -0.474 0.000 1.008 118 R CA -0.521 55.198 56.100 -0.634 0.000 0.896 118 R CB 2.059 31.666 30.300 -1.155 0.000 1.187 118 R HN 0.289 nan 8.270 nan 0.000 0.440 119 F N 1.497 121.367 119.950 -0.135 0.000 2.631 119 F HA 0.585 5.112 4.527 0.000 0.000 0.328 119 F C -0.078 175.748 175.800 0.043 0.000 1.067 119 F CA -1.276 56.728 58.000 0.007 0.000 0.969 119 F CB 1.418 40.459 39.000 0.069 0.000 1.332 119 F HN 0.085 nan 8.300 nan 0.000 0.490 120 M N 1.705 121.482 119.600 0.296 0.000 2.311 120 M HA 0.737 5.217 4.480 0.001 0.000 0.325 120 M C -0.907 175.465 176.300 0.119 0.000 1.061 120 M CA -0.746 54.658 55.300 0.173 0.000 0.957 120 M CB 1.188 33.860 32.600 0.121 0.000 1.646 120 M HN 0.680 nan 8.290 nan 0.000 0.434 121 A N 1.883 124.767 122.820 0.107 0.000 2.540 121 A HA 0.460 4.780 4.320 0.001 0.000 0.297 121 A C -1.032 176.594 177.584 0.069 0.000 1.056 121 A CA -0.706 51.378 52.037 0.077 0.000 0.700 121 A CB 1.123 20.182 19.000 0.099 0.000 1.280 121 A HN 0.696 nan 8.150 nan 0.000 0.398 122 D N 2.795 123.222 120.400 0.045 0.000 2.541 122 D HA 0.178 4.818 4.640 0.001 0.000 0.231 122 D C 0.645 176.964 176.300 0.032 0.000 1.163 122 D CA 0.080 54.099 54.000 0.033 0.000 1.077 122 D CB -0.218 40.593 40.800 0.019 0.000 1.110 122 D HN 0.463 nan 8.370 nan 0.000 0.499 123 L N 1.752 122.997 121.223 0.037 0.000 2.599 123 L HA 0.133 4.473 4.340 0.001 0.000 0.230 123 L C 1.765 178.623 176.870 -0.021 0.000 1.141 123 L CA 0.285 55.139 54.840 0.024 0.000 0.877 123 L CB 0.126 42.206 42.059 0.035 0.000 1.009 123 L HN 0.134 nan 8.230 nan 0.000 0.447 124 R N -0.573 119.916 120.500 -0.018 0.000 2.509 124 R HA 0.139 4.479 4.340 0.001 0.000 0.297 124 R C 0.112 176.399 176.300 -0.022 0.000 0.951 124 R CA -0.214 55.867 56.100 -0.032 0.000 1.103 124 R CB 0.573 30.851 30.300 -0.036 0.000 1.283 124 R HN -0.054 nan 8.270 nan 0.000 0.534 125 K N 0.584 120.977 120.400 -0.011 0.000 3.167 125 K HA -0.147 4.174 4.320 0.001 0.000 0.272 125 K C 0.558 177.151 176.600 -0.013 0.000 1.137 125 K CA 1.033 57.315 56.287 -0.009 0.000 0.800 125 K CB -1.361 31.134 32.500 -0.009 0.000 1.253 125 K HN 0.433 nan 8.250 nan 0.000 0.497 126 T N -4.024 110.521 114.554 -0.016 0.000 3.107 126 T HA 0.269 4.619 4.350 0.001 0.000 0.249 126 T C 1.494 176.182 174.700 -0.020 0.000 1.096 126 T CA 0.724 62.811 62.100 -0.022 0.000 1.012 126 T CB 0.709 69.558 68.868 -0.032 0.000 0.977 126 T HN 0.724 nan 8.240 nan 0.000 0.527 127 G N 1.691 110.483 108.800 -0.013 0.000 2.184 127 G HA2 -0.258 3.702 3.960 0.001 0.000 0.264 127 G HA3 -0.258 3.702 3.960 0.001 0.000 0.264 127 G C 0.146 175.039 174.900 -0.011 0.000 0.975 127 G CA 0.113 45.207 45.100 -0.011 0.000 0.642 127 G HN 0.708 nan 8.290 nan 0.000 0.536 128 R N -0.055 120.437 120.500 -0.015 0.000 2.778 128 R HA 0.733 5.073 4.340 0.001 0.000 0.277 128 R C -0.005 176.302 176.300 0.013 0.000 0.977 128 R CA -0.248 55.844 56.100 -0.013 0.000 0.950 128 R CB 1.700 31.971 30.300 -0.050 0.000 1.165 128 R HN 0.491 nan 8.270 nan 0.000 0.474 129 A N 2.115 124.962 122.820 0.045 0.000 2.309 129 A HA 0.212 4.532 4.320 0.001 0.000 0.290 129 A C -0.493 177.178 177.584 0.145 0.000 1.206 129 A CA -0.551 51.537 52.037 0.084 0.000 0.850 129 A CB 0.181 19.235 19.000 0.091 0.000 1.118 129 A HN 0.578 nan 8.150 nan 0.000 0.523 130 D N 1.568 122.042 120.400 0.123 0.000 2.329 130 D HA 0.332 4.972 4.640 0.001 0.000 0.246 130 D C 0.086 176.475 176.300 0.148 0.000 1.111 130 D CA 0.239 54.335 54.000 0.159 0.000 0.941 130 D CB 1.171 42.030 40.800 0.098 0.000 1.169 130 D HN 0.450 nan 8.370 nan 0.000 0.441 131 I N 1.026 121.665 120.570 0.115 0.000 2.371 131 I HA 0.139 4.309 4.170 0.001 0.000 0.290 131 I C -0.226 175.763 176.117 -0.213 0.000 1.028 131 I CA -0.566 60.666 61.300 -0.112 0.000 1.345 131 I CB 1.118 38.895 38.000 -0.371 0.000 1.407 131 I HN -0.143 nan 8.210 nan 0.000 0.501 132 V N 5.301 125.088 119.914 -0.212 0.000 2.443 132 V HA 0.640 4.760 4.120 0.001 0.000 0.293 132 V C 0.300 176.261 176.094 -0.222 0.000 1.021 132 V CA -0.504 61.728 62.300 -0.113 0.000 0.848 132 V CB 1.577 33.439 31.823 0.065 0.000 0.998 132 V HN 0.911 nan 8.190 nan 0.000 0.424 133 G N 3.114 111.906 108.800 -0.013 0.000 2.626 133 G HA2 0.631 4.591 3.960 0.001 0.000 0.304 133 G HA3 0.631 4.591 3.960 0.001 0.000 0.304 133 G C -1.017 174.128 174.900 0.409 0.000 1.385 133 G CA -0.460 44.793 45.100 0.254 0.000 0.957 133 G HN 0.457 nan 8.290 nan 0.000 0.504 134 F N 3.165 123.309 119.950 0.322 0.000 2.509 134 F HA 0.372 4.900 4.527 0.001 0.000 0.350 134 F C 1.389 177.330 175.800 0.234 0.000 1.220 134 F CA 0.262 58.388 58.000 0.209 0.000 1.151 134 F CB 0.984 40.006 39.000 0.037 0.000 1.379 134 F HN 0.539 nan 8.300 nan 0.000 0.610 135 G N 1.677 110.640 108.800 0.272 0.000 2.829 135 G HA2 0.022 3.983 3.960 0.001 0.000 0.173 135 G HA3 0.022 3.983 3.960 0.001 0.000 0.173 135 G C 0.633 175.464 174.900 -0.116 0.000 1.476 135 G CA -0.134 44.742 45.100 -0.373 0.000 1.072 135 G HN 0.374 nan 8.290 nan 0.000 0.577 136 D N -0.524 119.766 120.400 -0.184 0.000 2.290 136 D HA -0.006 4.634 4.640 0.001 0.000 0.224 136 D C 2.443 178.827 176.300 0.141 0.000 0.967 136 D CA 1.036 55.067 54.000 0.051 0.000 0.893 136 D CB -0.062 40.702 40.800 -0.061 0.000 1.037 136 D HN 0.376 nan 8.370 nan 0.000 0.477 137 G N -0.319 108.576 108.800 0.157 0.000 2.920 137 G HA2 0.380 4.340 3.960 0.001 0.000 0.208 137 G HA3 0.380 4.340 3.960 0.001 0.000 0.208 137 G C 0.732 175.617 174.900 -0.024 0.000 1.159 137 G CA 0.703 45.860 45.100 0.095 0.000 0.784 137 G HN 0.567 nan 8.290 nan 0.000 0.535 138 G N -0.564 108.220 108.800 -0.027 0.000 2.260 138 G HA2 0.061 4.022 3.960 0.001 0.000 0.250 138 G HA3 0.061 4.022 3.960 0.001 0.000 0.250 138 G C -1.189 173.600 174.900 -0.186 0.000 1.340 138 G CA -0.831 44.193 45.100 -0.128 0.000 1.056 138 G HN 0.267 nan 8.290 nan 0.000 0.471 139 I N 1.218 121.628 120.570 -0.267 0.000 2.331 139 I HA 0.506 4.676 4.170 0.001 0.000 0.292 139 I C -0.713 175.250 176.117 -0.257 0.000 0.998 139 I CA -0.592 60.560 61.300 -0.246 0.000 1.267 139 I CB 1.120 38.918 38.000 -0.338 0.000 1.386 139 I HN 0.415 nan 8.210 nan 0.000 0.476 140 Y N 6.182 126.580 120.300 0.164 0.000 2.446 140 Y HA 0.659 5.209 4.550 0.000 0.000 0.338 140 Y C 0.026 176.127 175.900 0.335 0.000 1.055 140 Y CA -0.786 57.477 58.100 0.272 0.000 1.101 140 Y CB 1.700 40.365 38.460 0.341 0.000 1.221 140 Y HN 0.292 nan 8.280 nan 0.000 0.460 141 I N 1.474 122.311 120.570 0.446 0.000 2.608 141 I HA 0.335 4.505 4.170 0.001 0.000 0.295 141 I C -0.781 175.557 176.117 0.368 0.000 1.049 141 I CA -0.776 60.718 61.300 0.324 0.000 1.063 141 I CB 2.328 40.438 38.000 0.182 0.000 1.248 141 I HN 0.519 nan 8.210 nan 0.000 0.424 142 S N 6.113 122.003 115.700 0.317 0.000 2.594 142 S HA 0.398 4.868 4.470 0.001 0.000 0.322 142 S C -0.245 174.514 174.600 0.265 0.000 1.085 142 S CA -0.703 57.689 58.200 0.321 0.000 1.116 142 S CB 0.571 64.021 63.200 0.416 0.000 0.979 142 S HN 0.598 nan 8.310 nan 0.000 0.465 143 R N 3.472 124.076 120.500 0.173 0.000 2.537 143 R HA 0.031 4.371 4.340 0.001 0.000 0.281 143 R C -0.083 176.231 176.300 0.023 0.000 0.988 143 R CA 0.106 56.255 56.100 0.083 0.000 1.077 143 R CB 0.218 30.540 30.300 0.037 0.000 0.932 143 R HN 0.608 nan 8.270 nan 0.000 0.409 144 N N 3.269 121.915 118.700 -0.089 0.000 2.437 144 N HA 0.030 4.770 4.740 0.001 0.000 0.243 144 N C -0.599 174.727 175.510 -0.308 0.000 1.041 144 N CA -0.085 52.711 53.050 -0.423 0.000 0.940 144 N CB 0.686 38.961 38.487 -0.352 0.000 1.133 144 N HN 0.492 nan 8.380 nan 0.000 0.506 145 N N 2.193 120.695 118.700 -0.329 0.000 2.270 145 N HA 0.171 4.911 4.740 0.001 0.000 0.198 145 N C 0.309 175.712 175.510 -0.178 0.000 1.117 145 N CA 0.327 53.266 53.050 -0.185 0.000 0.845 145 N CB 0.157 38.572 38.487 -0.120 0.000 0.980 145 N HN 0.781 nan 8.380 nan 0.000 0.486 146 G N -0.799 107.855 108.800 -0.242 0.000 2.692 146 G HA2 0.196 4.157 3.960 0.001 0.000 0.686 146 G HA3 0.196 4.157 3.960 0.001 0.000 0.686 146 G C 0.444 175.258 174.900 -0.144 0.000 1.243 146 G CA -0.139 44.862 45.100 -0.165 0.000 0.782 146 G HN 0.566 nan 8.290 nan 0.000 0.625 147 G N -0.535 108.208 108.800 -0.095 0.000 2.249 147 G HA2 0.370 4.330 3.960 0.001 0.000 0.273 147 G HA3 0.370 4.330 3.960 0.001 0.000 0.273 147 G C 2.178 177.060 174.900 -0.031 0.000 1.036 147 G CA 1.081 46.151 45.100 -0.050 0.000 0.824 147 G HN 3.124 nan 8.290 nan 0.000 0.504 148 G N -1.923 106.852 108.800 -0.042 0.000 2.168 148 G HA2 -0.216 3.744 3.960 0.001 0.000 0.257 148 G HA3 -0.216 3.744 3.960 0.001 0.000 0.257 148 G C 0.227 175.179 174.900 0.087 0.000 0.997 148 G CA 1.026 46.175 45.100 0.083 0.000 0.708 148 G HN 1.246 nan 8.290 nan 0.000 0.520 149 Q N -0.488 119.251 119.800 -0.103 0.000 2.372 149 Q HA 0.660 5.000 4.340 0.001 0.000 0.259 149 Q C -0.618 175.272 176.000 -0.183 0.000 0.993 149 Q CA -0.315 55.461 55.803 -0.045 0.000 0.854 149 Q CB 1.024 29.740 28.738 -0.036 0.000 1.231 149 Q HN 0.296 nan 8.270 nan 0.000 0.462 150 F N 0.783 120.733 119.950 -0.001 0.000 2.458 150 F HA 0.602 5.129 4.527 0.000 0.000 0.336 150 F C 0.530 176.345 175.800 0.026 0.000 1.114 150 F CA -0.919 57.089 58.000 0.013 0.000 0.987 150 F CB 1.610 40.617 39.000 0.011 0.000 1.130 150 F HN 0.512 nan 8.300 nan 0.000 0.458 151 A N 4.257 127.188 122.820 0.185 0.000 2.304 151 A HA 0.669 4.989 4.320 0.001 0.000 0.271 151 A C -2.525 175.151 177.584 0.152 0.000 1.091 151 A CA -1.637 50.475 52.037 0.124 0.000 0.812 151 A CB -0.128 18.919 19.000 0.080 0.000 1.056 151 A HN 0.449 nan 8.150 nan 0.000 0.489 152 P HA 0.250 nan 4.420 nan 0.000 0.267 152 P C -0.285 177.093 177.300 0.129 0.000 1.200 152 P CA 0.254 63.412 63.100 0.097 0.000 0.772 152 P CB 0.456 32.190 31.700 0.058 0.000 0.855 153 A N 3.280 126.175 122.820 0.124 0.000 2.520 153 A HA 0.159 4.480 4.320 0.001 0.000 0.245 153 A C 0.083 177.781 177.584 0.189 0.000 1.072 153 A CA 0.335 52.486 52.037 0.190 0.000 0.761 153 A CB -0.429 18.569 19.000 -0.004 0.000 1.004 153 A HN 0.556 nan 8.150 nan 0.000 0.499 154 Q N 0.514 120.456 119.800 0.237 0.000 2.387 154 Q HA 0.491 4.831 4.340 0.001 0.000 0.273 154 Q C -1.018 175.101 176.000 0.199 0.000 1.089 154 Q CA -1.069 54.851 55.803 0.195 0.000 0.824 154 Q CB 2.296 31.105 28.738 0.119 0.000 1.367 154 Q HN 0.665 nan 8.270 nan 0.000 0.443 155 L N 1.697 122.979 121.223 0.098 0.000 2.477 155 L HA 0.165 4.506 4.340 0.001 0.000 0.272 155 L C 0.376 177.227 176.870 -0.032 0.000 1.157 155 L CA 0.845 55.619 54.840 -0.110 0.000 0.889 155 L CB 0.549 42.519 42.059 -0.149 0.000 1.158 155 L HN 0.910 nan 8.230 nan 0.000 0.473 156 A N 5.230 128.044 122.820 -0.010 0.000 2.044 156 A HA 0.349 4.670 4.320 0.001 0.000 0.213 156 A C 0.160 177.842 177.584 0.162 0.000 1.169 156 A CA 0.385 52.481 52.037 0.099 0.000 0.724 156 A CB 0.055 19.194 19.000 0.232 0.000 0.840 156 A HN 0.590 nan 8.150 nan 0.000 0.463 157 L N -0.029 121.230 121.223 0.061 0.000 2.666 157 L HA 0.266 4.606 4.340 0.001 0.000 0.259 157 L C -1.207 175.631 176.870 -0.053 0.000 0.919 157 L CA -0.507 54.371 54.840 0.063 0.000 0.927 157 L CB 1.306 43.469 42.059 0.172 0.000 1.423 157 L HN 0.260 nan 8.230 nan 0.000 0.426 158 N N 2.246 120.914 118.700 -0.054 0.000 2.652 158 N HA 0.119 4.860 4.740 0.001 0.000 0.259 158 N C -0.505 174.952 175.510 -0.088 0.000 1.240 158 N CA -0.019 52.983 53.050 -0.080 0.000 0.951 158 N CB -0.444 38.011 38.487 -0.052 0.000 1.281 158 N HN 0.561 nan 8.380 nan 0.000 0.507 159 N N -0.208 118.426 118.700 -0.109 0.000 2.732 159 N HA 0.376 5.116 4.740 0.001 0.000 0.259 159 N C -0.498 174.872 175.510 -0.233 0.000 1.402 159 N CA -0.631 52.265 53.050 -0.256 0.000 0.829 159 N CB 0.610 38.818 38.487 -0.465 0.000 1.495 159 N HN 0.011 nan 8.380 nan 0.000 0.511 160 F N -2.288 117.391 119.950 -0.451 0.000 2.871 160 F HA -0.168 4.359 4.527 0.001 0.000 0.326 160 F C 1.091 176.610 175.800 -0.468 0.000 0.675 160 F CA 0.996 58.344 58.000 -1.087 0.000 1.188 160 F CB -1.837 36.732 39.000 -0.718 0.000 1.567 160 F HN 0.426 nan 8.300 nan 0.000 0.325 161 G N -1.482 107.326 108.800 0.014 0.000 2.557 161 G HA2 0.295 4.255 3.960 0.001 0.000 0.292 161 G HA3 0.295 4.255 3.960 0.001 0.000 0.292 161 G C 0.220 175.328 174.900 0.347 0.000 1.237 161 G CA -0.136 45.088 45.100 0.206 0.000 0.978 161 G HN 0.198 nan 8.290 nan 0.000 0.498 162 Y N 0.376 120.813 120.300 0.229 0.000 2.314 162 Y HA 0.058 4.608 4.550 0.000 0.000 0.293 162 Y C 2.803 178.799 175.900 0.160 0.000 1.129 162 Y CA 1.780 60.010 58.100 0.217 0.000 1.201 162 Y CB 0.018 38.581 38.460 0.172 0.000 0.999 162 Y HN 0.423 nan 8.280 nan 0.000 0.541 163 A N -0.170 122.799 122.820 0.250 0.000 1.933 163 A HA -0.228 4.092 4.320 0.001 0.000 0.218 163 A C 1.752 179.383 177.584 0.078 0.000 1.175 163 A CA 1.821 53.944 52.037 0.143 0.000 0.628 163 A CB -0.493 18.576 19.000 0.115 0.000 0.814 163 A HN 0.565 nan 8.150 nan 0.000 0.444 164 Q N -1.350 118.525 119.800 0.126 0.000 2.247 164 Q HA 0.398 4.738 4.340 0.001 0.000 0.205 164 Q C 0.946 176.976 176.000 0.049 0.000 0.896 164 Q CA 0.629 56.495 55.803 0.106 0.000 0.950 164 Q CB 0.261 29.084 28.738 0.141 0.000 1.054 164 Q HN 0.845 nan 8.270 nan 0.000 0.482 165 G N -0.955 107.837 108.800 -0.014 0.000 2.175 165 G HA2 -0.233 3.728 3.960 0.001 0.000 0.244 165 G HA3 -0.233 3.728 3.960 0.001 0.000 0.244 165 G C -0.530 174.295 174.900 -0.126 0.000 0.982 165 G CA -0.590 44.412 45.100 -0.162 0.000 0.641 165 G HN 0.309 nan 8.290 nan 0.000 0.527 166 W N 1.344 122.630 121.300 -0.023 0.000 2.251 166 W HA 0.722 5.382 4.660 0.000 0.000 0.327 166 W C 0.782 177.361 176.519 0.100 0.000 1.361 166 W CA -0.126 57.346 57.345 0.211 0.000 1.234 166 W CB 0.502 30.069 29.460 0.179 0.000 1.212 166 W HN 0.013 nan 8.180 nan 0.000 0.557 167 R N 3.099 123.763 120.500 0.275 0.000 2.604 167 R HA 0.282 4.622 4.340 0.001 0.000 0.281 167 R C 0.379 176.648 176.300 -0.052 0.000 1.020 167 R CA -0.979 55.100 56.100 -0.034 0.000 0.899 167 R CB 1.142 31.293 30.300 -0.248 0.000 1.205 167 R HN 0.586 nan 8.270 nan 0.000 0.450 168 L N 1.100 122.340 121.223 0.027 0.000 2.291 168 L HA -0.111 4.229 4.340 0.001 0.000 0.214 168 L C 1.298 178.159 176.870 -0.016 0.000 1.120 168 L CA 1.257 56.116 54.840 0.032 0.000 0.799 168 L CB -0.023 42.066 42.059 0.049 0.000 0.925 168 L HN 0.606 nan 8.230 nan 0.000 0.446 169 D N -1.009 119.353 120.400 -0.063 0.000 2.339 169 D HA -0.072 4.568 4.640 0.001 0.000 0.217 169 D C 1.786 178.022 176.300 -0.107 0.000 1.050 169 D CA 0.297 54.261 54.000 -0.060 0.000 0.856 169 D CB 0.241 41.016 40.800 -0.043 0.000 0.922 169 D HN 0.256 nan 8.370 nan 0.000 0.518 170 R N -1.164 119.182 120.500 -0.256 0.000 2.470 170 R HA 0.215 4.555 4.340 0.001 0.000 0.210 170 R C 0.155 176.357 176.300 -0.163 0.000 0.873 170 R CA 0.054 55.947 56.100 -0.345 0.000 1.015 170 R CB 0.616 30.466 30.300 -0.750 0.000 1.348 170 R HN 0.274 nan 8.270 nan 0.000 0.650 171 H N -0.683 118.459 119.070 0.120 0.000 2.855 171 H HA 0.565 5.121 4.556 0.001 0.000 0.363 171 H C -1.052 174.438 175.328 0.270 0.000 1.185 171 H CA -1.006 55.173 56.048 0.219 0.000 1.174 171 H CB 2.245 32.136 29.762 0.214 0.000 1.857 171 H HN -0.175 nan 8.280 nan 0.000 0.565 172 L N 0.822 122.364 121.223 0.531 0.000 2.388 172 L HA 0.618 4.958 4.340 0.001 0.000 0.264 172 L C -0.673 176.433 176.870 0.393 0.000 0.998 172 L CA -0.608 54.428 54.840 0.327 0.000 0.817 172 L CB 2.372 44.605 42.059 0.290 0.000 1.338 172 L HN 0.472 nan 8.230 nan 0.000 0.414 173 R N 1.418 121.899 120.500 -0.033 0.000 2.651 173 R HA 0.751 5.092 4.340 0.001 0.000 0.278 173 R C -1.783 174.326 176.300 -0.318 0.000 1.010 173 R CA -0.533 55.454 56.100 -0.188 0.000 0.896 173 R CB 2.354 32.200 30.300 -0.757 0.000 1.211 173 R HN 0.315 nan 8.270 nan 0.000 0.456 174 F N 1.429 121.366 119.950 -0.022 0.000 2.643 174 F HA 0.550 5.077 4.527 0.000 0.000 0.314 174 F C -0.758 175.076 175.800 0.057 0.000 1.096 174 F CA -0.876 57.155 58.000 0.052 0.000 0.953 174 F CB 1.745 40.787 39.000 0.070 0.000 1.345 174 F HN 0.050 nan 8.300 nan 0.000 0.468 175 L N 2.177 123.530 121.223 0.217 0.000 2.356 175 L HA 0.921 5.261 4.340 0.001 0.000 0.277 175 L C -0.705 176.238 176.870 0.121 0.000 0.996 175 L CA -0.604 54.326 54.840 0.149 0.000 0.822 175 L CB 1.650 43.778 42.059 0.115 0.000 1.256 175 L HN 0.767 nan 8.230 nan 0.000 0.413 176 A N 1.747 124.633 122.820 0.110 0.000 2.608 176 A HA 0.493 4.813 4.320 0.001 0.000 0.292 176 A C -1.885 175.750 177.584 0.084 0.000 1.066 176 A CA -0.610 51.477 52.037 0.084 0.000 0.676 176 A CB 1.756 20.796 19.000 0.066 0.000 1.277 176 A HN 0.590 nan 8.150 nan 0.000 0.413 177 D N 1.269 121.710 120.400 0.068 0.000 2.339 177 D HA 0.370 5.011 4.640 0.001 0.000 0.241 177 D C 0.978 177.314 176.300 0.061 0.000 1.183 177 D CA 0.536 54.575 54.000 0.063 0.000 0.859 177 D CB 1.208 42.033 40.800 0.043 0.000 1.067 177 D HN 0.820 nan 8.370 nan 0.000 0.484 178 V N 1.539 121.501 119.914 0.081 0.000 3.621 178 V HA 0.162 4.283 4.120 0.001 0.000 0.285 178 V C 1.332 177.435 176.094 0.014 0.000 1.346 178 V CA 0.880 63.228 62.300 0.080 0.000 1.104 178 V CB -0.125 31.823 31.823 0.209 0.000 0.913 178 V HN 0.617 nan 8.190 nan 0.000 0.432 179 T N -3.985 110.582 114.554 0.023 0.000 3.003 179 T HA 0.441 4.791 4.350 0.001 0.000 0.261 179 T C 1.712 176.408 174.700 -0.007 0.000 1.003 179 T CA 1.095 63.197 62.100 0.003 0.000 0.917 179 T CB 0.561 69.444 68.868 0.025 0.000 1.084 179 T HN 1.484 nan 8.240 nan 0.000 0.522 180 G N 2.802 111.600 108.800 -0.003 0.000 2.205 180 G HA2 -0.319 3.641 3.960 0.001 0.000 0.261 180 G HA3 -0.319 3.641 3.960 0.001 0.000 0.261 180 G C 0.576 175.476 174.900 0.001 0.000 0.980 180 G CA 0.623 45.719 45.100 -0.006 0.000 0.632 180 G HN 0.745 nan 8.290 nan 0.000 0.533 181 D N 0.376 120.781 120.400 0.007 0.000 2.363 181 D HA 0.336 4.976 4.640 0.001 0.000 0.226 181 D C 1.943 178.248 176.300 0.008 0.000 1.020 181 D CA 0.982 54.986 54.000 0.006 0.000 0.892 181 D CB -0.750 40.055 40.800 0.008 0.000 0.900 181 D HN 1.661 nan 8.370 nan 0.000 0.531 182 G N -0.038 108.770 108.800 0.013 0.000 2.205 182 G HA2 -0.286 3.675 3.960 0.001 0.000 0.261 182 G HA3 -0.286 3.675 3.960 0.001 0.000 0.261 182 G C 0.107 175.020 174.900 0.022 0.000 0.980 182 G CA 0.324 45.433 45.100 0.015 0.000 0.632 182 G HN 0.427 nan 8.290 nan 0.000 0.533 183 L N 1.127 122.366 121.223 0.026 0.000 2.326 183 L HA 0.516 4.857 4.340 0.001 0.000 0.278 183 L C 0.957 177.869 176.870 0.069 0.000 1.092 183 L CA -0.811 54.050 54.840 0.034 0.000 0.810 183 L CB 1.150 43.219 42.059 0.018 0.000 1.153 183 L HN 0.044 nan 8.230 nan 0.000 0.439 184 L N 3.720 124.998 121.223 0.092 0.000 2.319 184 L HA 0.261 4.602 4.340 0.001 0.000 0.280 184 L C -0.174 176.832 176.870 0.227 0.000 1.099 184 L CA -0.249 54.670 54.840 0.131 0.000 0.828 184 L CB 0.562 42.693 42.059 0.120 0.000 1.150 184 L HN 0.588 nan 8.230 nan 0.000 0.442 185 D N 2.248 122.767 120.400 0.197 0.000 2.326 185 D HA 0.364 5.005 4.640 0.001 0.000 0.248 185 D C -0.477 175.878 176.300 0.091 0.000 1.001 185 D CA -0.484 53.654 54.000 0.229 0.000 0.961 185 D CB 2.685 43.588 40.800 0.172 0.000 1.183 185 D HN 0.067 nan 8.370 nan 0.000 0.502 186 V N 1.229 121.084 119.914 -0.097 0.000 2.432 186 V HA 0.161 4.281 4.120 0.001 0.000 0.271 186 V C 0.270 176.239 176.094 -0.207 0.000 1.046 186 V CA -0.541 61.574 62.300 -0.307 0.000 0.945 186 V CB 1.268 32.602 31.823 -0.815 0.000 0.992 186 V HN 0.240 nan 8.190 nan 0.000 0.471 187 V N 4.446 124.291 119.914 -0.115 0.000 2.334 187 V HA 0.675 4.795 4.120 0.001 0.000 0.281 187 V C 0.689 176.751 176.094 -0.053 0.000 1.016 187 V CA -0.262 61.976 62.300 -0.103 0.000 0.832 187 V CB 1.485 33.239 31.823 -0.114 0.000 0.999 187 V HN 0.965 nan 8.190 nan 0.000 0.439 188 G N 3.581 112.375 108.800 -0.011 0.000 2.502 188 G HA2 0.581 4.541 3.960 0.001 0.000 0.311 188 G HA3 0.581 4.541 3.960 0.001 0.000 0.311 188 G C -0.653 174.573 174.900 0.544 0.000 1.270 188 G CA -0.456 44.825 45.100 0.303 0.000 0.948 188 G HN 0.544 nan 8.290 nan 0.000 0.487 189 F N 3.395 123.656 119.950 0.520 0.000 2.679 189 F HA 0.265 4.793 4.527 0.001 0.000 0.351 189 F C 1.694 177.712 175.800 0.365 0.000 1.279 189 F CA -0.080 58.148 58.000 0.380 0.000 1.227 189 F CB 0.346 39.507 39.000 0.268 0.000 1.623 189 F HN 0.541 nan 8.300 nan 0.000 0.666 190 G N 1.051 110.053 108.800 0.336 0.000 2.418 190 G HA2 -0.104 3.856 3.960 0.001 0.000 0.276 190 G HA3 -0.104 3.856 3.960 0.001 0.000 0.276 190 G C 1.017 175.676 174.900 -0.402 0.000 1.442 190 G CA -0.011 44.720 45.100 -0.615 0.000 1.066 190 G HN 0.467 nan 8.290 nan 0.000 0.553 191 E N -0.649 119.213 120.200 -0.563 0.000 2.028 191 E HA -0.048 4.303 4.350 0.001 0.000 0.190 191 E C 2.081 178.667 176.600 -0.024 0.000 0.984 191 E CA 1.720 57.996 56.400 -0.206 0.000 0.800 191 E CB 0.029 29.599 29.700 -0.217 0.000 0.758 191 E HN 0.429 nan 8.360 nan 0.000 0.448 192 N N -0.864 117.816 118.700 -0.034 0.000 2.606 192 N HA 0.048 4.789 4.740 0.001 0.000 0.208 192 N C -0.010 175.472 175.510 -0.047 0.000 1.046 192 N CA 0.232 53.272 53.050 -0.016 0.000 0.891 192 N CB 0.193 38.666 38.487 -0.024 0.000 1.344 192 N HN 0.081 nan 8.380 nan 0.000 0.437 193 Q N 0.732 120.460 119.800 -0.121 0.000 2.180 193 Q HA 0.448 4.788 4.340 0.001 0.000 0.241 193 Q C -0.307 175.584 176.000 -0.183 0.000 0.970 193 Q CA -0.597 55.021 55.803 -0.308 0.000 0.919 193 Q CB 1.714 29.933 28.738 -0.864 0.000 1.222 193 Q HN -0.164 nan 8.270 nan 0.000 0.482 194 V N 1.923 121.693 119.914 -0.240 0.000 2.370 194 V HA 0.328 4.448 4.120 0.001 0.000 0.279 194 V C -0.747 175.225 176.094 -0.204 0.000 1.029 194 V CA -0.453 61.721 62.300 -0.210 0.000 0.870 194 V CB 0.003 31.550 31.823 -0.459 0.000 0.984 194 V HN 0.553 nan 8.190 nan 0.000 0.451 195 Y N 4.544 124.871 120.300 0.045 0.000 2.596 195 Y HA 0.685 5.235 4.550 0.000 0.000 0.326 195 Y C 0.093 176.052 175.900 0.098 0.000 1.167 195 Y CA -1.272 56.907 58.100 0.130 0.000 1.246 195 Y CB 1.388 40.019 38.460 0.285 0.000 1.347 195 Y HN 0.286 nan 8.280 nan 0.000 0.515 196 I N 0.714 121.488 120.570 0.340 0.000 2.828 196 I HA 0.610 4.781 4.170 0.001 0.000 0.302 196 I C -0.933 175.355 176.117 0.286 0.000 1.101 196 I CA -1.141 60.291 61.300 0.220 0.000 1.031 196 I CB 1.809 39.919 38.000 0.184 0.000 1.231 196 I HN 0.689 nan 8.210 nan 0.000 0.427 197 A N 5.730 128.662 122.820 0.186 0.000 2.411 197 A HA 0.590 4.911 4.320 0.001 0.000 0.285 197 A C -0.349 177.394 177.584 0.265 0.000 1.129 197 A CA -0.674 51.498 52.037 0.226 0.000 0.736 197 A CB 1.086 20.212 19.000 0.211 0.000 1.186 197 A HN 0.697 nan 8.150 nan 0.000 0.445 198 R N 1.987 122.642 120.500 0.259 0.000 2.389 198 R HA 0.120 4.460 4.340 0.001 0.000 0.295 198 R C -0.245 176.226 176.300 0.284 0.000 1.075 198 R CA -0.364 55.873 56.100 0.230 0.000 1.005 198 R CB 0.437 30.826 30.300 0.148 0.000 0.987 198 R HN 0.764 nan 8.270 nan 0.000 0.452 199 N N 1.327 120.165 118.700 0.229 0.000 2.430 199 N HA -0.007 4.733 4.740 0.001 0.000 0.265 199 N C -0.483 174.982 175.510 -0.074 0.000 1.100 199 N CA 0.246 53.305 53.050 0.015 0.000 0.961 199 N CB 1.185 39.700 38.487 0.047 0.000 1.075 199 N HN 0.429 nan 8.380 nan 0.000 0.478 200 S N 2.120 117.723 115.700 -0.162 0.000 2.754 200 S HA 0.150 4.620 4.470 0.001 0.000 0.223 200 S C 1.343 175.879 174.600 -0.106 0.000 0.951 200 S CA 0.099 58.241 58.200 -0.096 0.000 0.954 200 S CB -0.474 62.679 63.200 -0.077 0.000 0.780 200 S HN 0.852 nan 8.310 nan 0.000 0.509 201 G N 3.168 111.890 108.800 -0.130 0.000 2.180 201 G HA2 -0.325 3.635 3.960 0.001 0.000 0.263 201 G HA3 -0.325 3.635 3.960 0.001 0.000 0.263 201 G C 0.337 175.178 174.900 -0.099 0.000 0.989 201 G CA 0.560 45.601 45.100 -0.098 0.000 0.692 201 G HN 0.728 nan 8.290 nan 0.000 0.526 202 N N -0.924 117.697 118.700 -0.131 0.000 2.387 202 N HA 0.378 5.118 4.740 0.001 0.000 0.259 202 N C 1.030 176.473 175.510 -0.112 0.000 1.369 202 N CA 0.554 53.545 53.050 -0.097 0.000 0.867 202 N CB 0.137 38.582 38.487 -0.070 0.000 1.341 202 N HN 1.475 nan 8.380 nan 0.000 0.495 203 G N 0.753 109.449 108.800 -0.174 0.000 2.198 203 G HA2 -0.244 3.716 3.960 0.001 0.000 0.257 203 G HA3 -0.244 3.716 3.960 0.001 0.000 0.257 203 G C -0.167 174.617 174.900 -0.194 0.000 1.042 203 G CA 0.614 45.619 45.100 -0.158 0.000 0.791 203 G HN 0.967 nan 8.290 nan 0.000 0.502 204 T N -2.796 111.546 114.554 -0.355 0.000 2.889 204 T HA 0.733 5.084 4.350 0.001 0.000 0.315 204 T C -0.801 173.602 174.700 -0.496 0.000 1.291 204 T CA -1.027 60.911 62.100 -0.271 0.000 1.028 204 T CB 2.138 70.949 68.868 -0.095 0.000 1.235 204 T HN 0.612 nan 8.240 nan 0.000 0.491 205 F N 0.739 120.698 119.950 0.015 0.000 2.532 205 F HA 0.548 5.076 4.527 0.001 0.000 0.321 205 F C 0.717 176.544 175.800 0.045 0.000 1.089 205 F CA -1.059 56.963 58.000 0.036 0.000 0.926 205 F CB 2.098 41.130 39.000 0.053 0.000 1.168 205 F HN 0.560 nan 8.300 nan 0.000 0.459 206 Q N 2.726 122.663 119.800 0.228 0.000 2.394 206 Q HA 0.243 4.584 4.340 0.001 0.000 0.248 206 Q C -2.280 173.825 176.000 0.175 0.000 0.992 206 Q CA -1.795 54.101 55.803 0.155 0.000 0.888 206 Q CB 0.112 28.925 28.738 0.124 0.000 1.257 206 Q HN 0.238 nan 8.270 nan 0.000 0.462 207 P HA -0.133 nan 4.420 nan 0.000 0.267 207 P C -0.909 176.471 177.300 0.134 0.000 1.195 207 P CA 0.277 63.439 63.100 0.103 0.000 0.773 207 P CB 0.337 32.079 31.700 0.069 0.000 0.837 208 A N 3.112 125.997 122.820 0.108 0.000 2.521 208 A HA 0.063 4.383 4.320 0.001 0.000 0.237 208 A C -0.034 177.680 177.584 0.217 0.000 1.087 208 A CA 0.641 52.780 52.037 0.171 0.000 0.777 208 A CB -0.301 18.676 19.000 -0.039 0.000 1.035 208 A HN 0.600 nan 8.150 nan 0.000 0.510 209 Q N -0.400 119.580 119.800 0.299 0.000 2.371 209 Q HA 0.481 4.821 4.340 0.001 0.000 0.244 209 Q C -0.696 175.408 176.000 0.174 0.000 0.882 209 Q CA -0.389 55.543 55.803 0.214 0.000 0.866 209 Q CB 1.927 30.759 28.738 0.156 0.000 1.399 209 Q HN 1.106 nan 8.270 nan 0.000 0.432 210 A N 1.505 124.341 122.820 0.028 0.000 2.511 210 A HA 0.354 4.675 4.320 0.001 0.000 0.242 210 A C 0.895 178.415 177.584 -0.106 0.000 1.069 210 A CA 0.228 52.111 52.037 -0.257 0.000 0.763 210 A CB 0.179 18.938 19.000 -0.402 0.000 1.001 210 A HN 0.758 nan 8.150 nan 0.000 0.498 211 V N 0.140 119.976 119.914 -0.130 0.000 3.426 211 V HA 0.401 4.521 4.120 0.001 0.000 0.279 211 V C -0.011 176.053 176.094 -0.049 0.000 1.544 211 V CA 0.079 62.365 62.300 -0.023 0.000 1.017 211 V CB -0.433 31.429 31.823 0.066 0.000 0.821 211 V HN 0.580 nan 8.190 nan 0.000 0.432 212 V N 1.556 121.387 119.914 -0.138 0.000 2.752 212 V HA 0.405 4.525 4.120 0.001 0.000 0.302 212 V C -0.754 175.279 176.094 -0.103 0.000 1.133 212 V CA -0.406 61.846 62.300 -0.081 0.000 0.919 212 V CB 1.756 33.550 31.823 -0.049 0.000 1.026 212 V HN 0.411 nan 8.190 nan 0.000 0.429 213 N N 4.526 123.181 118.700 -0.074 0.000 3.322 213 N HA 0.247 4.987 4.740 0.001 0.000 0.290 213 N C -0.487 174.986 175.510 -0.062 0.000 1.297 213 N CA 0.048 53.052 53.050 -0.076 0.000 1.167 213 N CB 0.147 38.593 38.487 -0.068 0.000 1.434 213 N HN 0.753 nan 8.380 nan 0.000 0.526 214 N N 0.049 118.713 118.700 -0.060 0.000 3.387 214 N HA 0.169 4.909 4.740 0.001 0.000 0.294 214 N C -0.449 175.017 175.510 -0.073 0.000 1.519 214 N CA -0.296 52.680 53.050 -0.122 0.000 0.875 214 N CB 0.282 38.581 38.487 -0.313 0.000 1.657 214 N HN 0.067 nan 8.380 nan 0.000 0.527 215 F N -1.471 118.301 119.950 -0.296 0.000 2.973 215 F HA -0.290 4.237 4.527 0.000 0.000 0.299 215 F C 0.445 176.067 175.800 -0.297 0.000 0.737 215 F CA 0.225 57.649 58.000 -0.961 0.000 1.151 215 F CB -1.972 36.734 39.000 -0.489 0.000 1.440 215 F HN 0.316 nan 8.300 nan 0.000 0.367 216 C N -0.682 118.760 119.300 0.238 0.000 2.803 216 C HA 0.611 5.072 4.460 0.001 0.000 0.389 216 C C 2.072 177.287 174.990 0.375 0.000 1.433 216 C CA -0.439 58.778 59.018 0.330 0.000 1.714 216 C CB 1.036 28.907 27.740 0.218 0.000 2.106 216 C HN 0.371 nan 8.230 nan 0.000 0.480 217 I N 0.821 121.563 120.570 0.287 0.000 2.400 217 I HA 0.107 4.277 4.170 0.001 0.000 0.248 217 I C 1.756 177.963 176.117 0.149 0.000 1.109 217 I CA 1.525 62.962 61.300 0.229 0.000 1.425 217 I CB -0.136 37.978 38.000 0.190 0.000 1.094 217 I HN 0.828 nan 8.210 nan 0.000 0.425 218 G N 0.544 109.414 108.800 0.118 0.000 3.678 218 G HA2 0.531 4.491 3.960 0.001 0.000 0.287 218 G HA3 0.531 4.491 3.960 0.001 0.000 0.287 218 G C 0.106 175.044 174.900 0.063 0.000 1.280 218 G CA 0.421 45.563 45.100 0.070 0.000 1.118 218 G HN 0.447 nan 8.290 nan 0.000 0.563 219 A N -0.713 122.167 122.820 0.101 0.000 3.208 219 A HA 0.585 4.905 4.320 0.001 0.000 0.252 219 A C 0.789 178.455 177.584 0.137 0.000 1.225 219 A CA 0.425 52.510 52.037 0.079 0.000 0.980 219 A CB -0.271 18.758 19.000 0.049 0.000 1.414 219 A HN 1.530 nan 8.150 nan 0.000 0.721 220 G N -0.453 108.407 108.800 0.100 0.000 2.260 220 G HA2 0.302 4.262 3.960 0.001 0.000 0.179 220 G HA3 0.302 4.262 3.960 0.001 0.000 0.179 220 G C 1.557 176.411 174.900 -0.078 0.000 1.002 220 G CA 0.944 46.091 45.100 0.077 0.000 0.677 220 G HN 2.434 nan 8.290 nan 0.000 0.486 221 G N -0.675 108.141 108.800 0.027 0.000 2.246 221 G HA2 -0.258 3.703 3.960 0.001 0.000 0.273 221 G HA3 -0.258 3.703 3.960 0.001 0.000 0.273 221 G C 0.206 175.104 174.900 -0.003 0.000 1.055 221 G CA 0.466 45.562 45.100 -0.007 0.000 0.851 221 G HN 1.053 nan 8.290 nan 0.000 0.500 222 W N 1.015 122.384 121.300 0.115 0.000 2.388 222 W HA 0.530 5.191 4.660 0.000 0.000 0.308 222 W C 1.170 177.865 176.519 0.293 0.000 1.263 222 W CA 0.327 57.828 57.345 0.260 0.000 1.286 222 W CB 0.808 30.389 29.460 0.201 0.000 1.294 222 W HN 0.437 nan 8.180 nan 0.000 0.493 223 T N 1.150 116.008 114.554 0.506 0.000 2.925 223 T HA 0.340 4.690 4.350 0.001 0.000 0.285 223 T C 0.983 175.760 174.700 0.128 0.000 1.021 223 T CA -0.852 61.358 62.100 0.183 0.000 1.042 223 T CB 1.341 70.209 68.868 0.000 0.000 1.037 223 T HN 0.246 nan 8.240 nan 0.000 0.481 224 I N 2.064 122.689 120.570 0.091 0.000 2.394 224 I HA -0.101 4.069 4.170 0.001 0.000 0.251 224 I C 2.693 178.825 176.117 0.025 0.000 1.136 224 I CA 1.616 62.960 61.300 0.073 0.000 1.425 224 I CB -1.413 36.617 38.000 0.049 0.000 1.079 224 I HN 0.922 nan 8.210 nan 0.000 0.425 225 S N 0.287 115.971 115.700 -0.026 0.000 2.496 225 S HA 0.212 4.683 4.470 0.001 0.000 0.224 225 S C 1.703 176.238 174.600 -0.108 0.000 0.996 225 S CA 0.557 58.728 58.200 -0.049 0.000 0.927 225 S CB 0.249 63.418 63.200 -0.051 0.000 0.774 225 S HN 0.365 nan 8.310 nan 0.000 0.524 226 A N 0.441 123.111 122.820 -0.251 0.000 2.140 226 A HA 0.394 4.714 4.320 0.001 0.000 0.199 226 A C 0.291 177.719 177.584 -0.261 0.000 1.416 226 A CA -0.230 51.557 52.037 -0.417 0.000 1.018 226 A CB 0.159 18.669 19.000 -0.817 0.000 1.117 226 A HN 0.640 nan 8.150 nan 0.000 0.480 227 H N 0.801 119.982 119.070 0.183 0.000 2.423 227 H HA 0.371 4.927 4.556 0.000 0.000 0.237 227 H C -2.880 172.734 175.328 0.476 0.000 1.391 227 H CA -2.185 54.050 56.048 0.311 0.000 1.453 227 H CB 0.646 30.506 29.762 0.163 0.000 1.484 227 H HN 0.222 nan 8.280 nan 0.000 0.505 228 P HA 0.110 nan 4.420 nan 0.000 0.270 228 P C -0.214 177.354 177.300 0.447 0.000 1.223 228 P CA -0.176 63.146 63.100 0.370 0.000 0.785 228 P CB 1.038 32.875 31.700 0.228 0.000 0.923 229 R N 0.289 120.903 120.500 0.189 0.000 2.604 229 R HA 0.592 4.932 4.340 0.001 0.000 0.281 229 R C -0.726 175.552 176.300 -0.037 0.000 1.020 229 R CA -0.933 55.118 56.100 -0.081 0.000 0.899 229 R CB 2.012 31.930 30.300 -0.636 0.000 1.205 229 R HN 0.358 nan 8.270 nan 0.000 0.450 230 V N -0.726 119.131 119.914 -0.095 0.000 3.113 230 V HA 0.799 4.919 4.120 0.001 0.000 0.316 230 V C -0.938 174.956 176.094 -0.333 0.000 1.125 230 V CA -0.741 61.511 62.300 -0.079 0.000 1.026 230 V CB 2.345 34.228 31.823 0.099 0.000 1.080 230 V HN 0.383 nan 8.190 nan 0.000 0.444 231 V N 1.607 121.304 119.914 -0.362 0.000 2.483 231 V HA 0.937 5.058 4.120 0.001 0.000 0.297 231 V C 0.130 176.169 176.094 -0.091 0.000 1.027 231 V CA 0.384 62.497 62.300 -0.312 0.000 0.855 231 V CB 0.917 32.417 31.823 -0.538 0.000 0.995 231 V HN 1.585 nan 8.190 nan 0.000 0.424 232 A N 3.159 125.954 122.820 -0.042 0.000 2.566 232 A HA 0.622 4.942 4.320 0.001 0.000 0.297 232 A C -1.149 176.446 177.584 0.018 0.000 1.059 232 A CA -0.626 51.416 52.037 0.008 0.000 0.691 232 A CB 1.529 20.545 19.000 0.026 0.000 1.282 232 A HN 0.684 nan 8.150 nan 0.000 0.401 233 D N 1.608 122.020 120.400 0.021 0.000 2.412 233 D HA 0.250 4.890 4.640 0.001 0.000 0.257 233 D C 0.516 176.824 176.300 0.013 0.000 1.217 233 D CA 0.344 54.352 54.000 0.013 0.000 0.897 233 D CB 0.465 41.270 40.800 0.008 0.000 1.132 233 D HN 0.413 nan 8.370 nan 0.000 0.493 234 L N 2.775 124.002 121.223 0.007 0.000 2.638 234 L HA 0.067 4.408 4.340 0.001 0.000 0.232 234 L C 2.039 178.879 176.870 -0.051 0.000 1.099 234 L CA 0.415 55.252 54.840 -0.006 0.000 0.883 234 L CB 0.259 42.333 42.059 0.024 0.000 1.136 234 L HN 0.478 nan 8.230 nan 0.000 0.492 235 T N -4.960 109.570 114.554 -0.040 0.000 3.018 235 T HA 0.280 4.631 4.350 0.001 0.000 0.246 235 T C 1.384 176.057 174.700 -0.045 0.000 1.026 235 T CA 0.690 62.759 62.100 -0.051 0.000 1.081 235 T CB 0.959 69.799 68.868 -0.046 0.000 0.970 235 T HN 0.243 nan 8.240 nan 0.000 0.475 236 G N 2.493 111.273 108.800 -0.033 0.000 2.159 236 G HA2 -0.147 3.813 3.960 0.001 0.000 0.170 236 G HA3 -0.147 3.813 3.960 0.001 0.000 0.170 236 G C 0.238 175.125 174.900 -0.023 0.000 1.007 236 G CA 0.303 45.387 45.100 -0.026 0.000 0.672 236 G HN 0.702 nan 8.290 nan 0.000 0.507 237 D N 0.067 120.452 120.400 -0.026 0.000 2.368 237 D HA 0.176 4.816 4.640 0.001 0.000 0.218 237 D C 1.276 177.564 176.300 -0.020 0.000 1.112 237 D CA -0.152 53.832 54.000 -0.025 0.000 0.834 237 D CB -0.226 40.553 40.800 -0.034 0.000 0.953 237 D HN 0.483 nan 8.370 nan 0.000 0.505 238 R N -0.735 119.757 120.500 -0.013 0.000 4.000 238 R HA -0.185 4.156 4.340 0.001 0.000 0.362 238 R C -0.273 176.024 176.300 -0.006 0.000 1.183 238 R CA 1.048 57.145 56.100 -0.006 0.000 1.011 238 R CB -1.879 28.419 30.300 -0.003 0.000 1.501 238 R HN 0.272 nan 8.270 nan 0.000 0.553 239 K N 0.289 120.679 120.400 -0.017 0.000 2.156 239 K HA 0.704 5.024 4.320 0.001 0.000 0.250 239 K C -0.258 176.335 176.600 -0.011 0.000 0.955 239 K CA -0.145 56.129 56.287 -0.022 0.000 0.855 239 K CB 1.735 34.200 32.500 -0.058 0.000 1.101 239 K HN 0.164 nan 8.250 nan 0.000 0.434 240 A N 2.392 125.222 122.820 0.015 0.000 2.305 240 A HA 0.350 4.670 4.320 0.001 0.000 0.322 240 A C -0.768 176.883 177.584 0.112 0.000 1.187 240 A CA -0.650 51.416 52.037 0.049 0.000 0.825 240 A CB 0.462 19.496 19.000 0.058 0.000 1.164 240 A HN 0.686 nan 8.150 nan 0.000 0.498 241 D N 0.679 121.138 120.400 0.098 0.000 2.569 241 D HA 0.577 5.217 4.640 0.001 0.000 0.266 241 D C -0.422 175.924 176.300 0.077 0.000 1.164 241 D CA -0.069 54.037 54.000 0.177 0.000 1.071 241 D CB 1.305 42.160 40.800 0.091 0.000 1.183 241 D HN 0.424 nan 8.370 nan 0.000 0.613 242 I N 0.607 121.187 120.570 0.017 0.000 2.530 242 I HA 0.457 4.627 4.170 0.001 0.000 0.297 242 I C -0.624 175.329 176.117 -0.273 0.000 1.011 242 I CA -0.815 60.339 61.300 -0.242 0.000 1.107 242 I CB 2.235 39.955 38.000 -0.465 0.000 1.285 242 I HN 0.037 nan 8.210 nan 0.000 0.436 243 L N 4.539 125.534 121.223 -0.381 0.000 2.526 243 L HA 0.811 5.152 4.340 0.001 0.000 0.263 243 L C -1.095 175.532 176.870 -0.405 0.000 0.943 243 L CA -0.087 54.561 54.840 -0.319 0.000 0.859 243 L CB 1.965 43.880 42.059 -0.239 0.000 1.313 243 L HN 0.686 nan 8.230 nan 0.000 0.406 244 G N 2.799 111.461 108.800 -0.229 0.000 2.524 244 G HA2 0.605 4.565 3.960 0.001 0.000 0.310 244 G HA3 0.605 4.565 3.960 0.001 0.000 0.310 244 G C -1.608 173.495 174.900 0.339 0.000 1.279 244 G CA -0.502 44.599 45.100 0.003 0.000 0.974 244 G HN 0.423 nan 8.290 nan 0.000 0.484 245 F N 2.147 122.453 119.950 0.594 0.000 2.303 245 F HA 0.474 5.002 4.527 0.001 0.000 0.368 245 F C 1.191 177.289 175.800 0.497 0.000 1.105 245 F CA -0.388 57.884 58.000 0.453 0.000 1.153 245 F CB 1.449 40.585 39.000 0.228 0.000 1.362 245 F HN 0.604 nan 8.300 nan 0.000 0.511 246 G N 1.285 110.389 108.800 0.505 0.000 2.582 246 G HA2 0.306 4.266 3.960 0.001 0.000 0.232 246 G HA3 0.306 4.266 3.960 0.001 0.000 0.232 246 G C 0.904 175.787 174.900 -0.029 0.000 1.458 246 G CA -0.456 44.489 45.100 -0.258 0.000 1.062 246 G HN 0.279 nan 8.290 nan 0.000 0.566 247 V N 0.704 120.513 119.914 -0.175 0.000 2.302 247 V HA -0.023 4.097 4.120 0.001 0.000 0.243 247 V C 3.201 179.338 176.094 0.072 0.000 1.036 247 V CA 2.315 64.597 62.300 -0.030 0.000 1.020 247 V CB -0.923 30.833 31.823 -0.111 0.000 0.657 247 V HN 0.739 nan 8.190 nan 0.000 0.453 248 A N -0.726 122.158 122.820 0.107 0.000 1.832 248 A HA 0.347 4.667 4.320 0.001 0.000 0.214 248 A C 1.546 179.142 177.584 0.020 0.000 1.200 248 A CA 2.150 54.221 52.037 0.056 0.000 0.610 248 A CB -0.687 18.343 19.000 0.050 0.000 0.842 248 A HN 0.692 nan 8.150 nan 0.000 0.444 249 G N -2.684 106.104 108.800 -0.020 0.000 2.637 249 G HA2 0.395 4.356 3.960 0.001 0.000 0.112 249 G HA3 0.395 4.356 3.960 0.001 0.000 0.112 249 G C -1.137 173.739 174.900 -0.040 0.000 1.181 249 G CA 0.180 45.282 45.100 0.004 0.000 1.150 249 G HN 0.514 nan 8.290 nan 0.000 0.561 250 V N 1.502 121.334 119.914 -0.136 0.000 2.461 250 V HA 0.541 4.662 4.120 0.001 0.000 0.275 250 V C -0.770 175.188 176.094 -0.227 0.000 1.047 250 V CA -0.070 62.131 62.300 -0.165 0.000 0.955 250 V CB 0.280 31.911 31.823 -0.320 0.000 0.988 250 V HN 0.453 nan 8.190 nan 0.000 0.471 251 Y N 2.276 122.669 120.300 0.155 0.000 2.528 251 Y HA 0.736 5.286 4.550 0.001 0.000 0.335 251 Y C 0.621 176.686 175.900 0.275 0.000 1.093 251 Y CA -0.593 57.653 58.100 0.244 0.000 1.134 251 Y CB 2.395 41.071 38.460 0.360 0.000 1.253 251 Y HN 0.729 nan 8.280 nan 0.000 0.478 252 T N -1.943 112.888 114.554 0.461 0.000 2.868 252 T HA 0.613 4.963 4.350 0.001 0.000 0.306 252 T C -1.099 173.831 174.700 0.383 0.000 1.224 252 T CA -1.006 61.296 62.100 0.338 0.000 1.012 252 T CB 1.590 70.581 68.868 0.204 0.000 1.221 252 T HN 0.560 nan 8.240 nan 0.000 0.499 253 S N 1.828 117.705 115.700 0.295 0.000 2.789 253 S HA 0.533 5.003 4.470 0.001 0.000 0.286 253 S C -0.594 174.194 174.600 0.313 0.000 1.153 253 S CA -0.895 57.493 58.200 0.313 0.000 1.084 253 S CB -0.068 63.361 63.200 0.382 0.000 1.036 253 S HN 0.753 nan 8.310 nan 0.000 0.484 254 L N 3.798 125.140 121.223 0.199 0.000 2.397 254 L HA 0.403 4.743 4.340 0.001 0.000 0.271 254 L C 1.027 177.879 176.870 -0.030 0.000 1.148 254 L CA -0.845 54.052 54.840 0.096 0.000 0.825 254 L CB 0.335 42.414 42.059 0.033 0.000 1.117 254 L HN 0.623 nan 8.230 nan 0.000 0.456 255 N N 2.022 120.579 118.700 -0.238 0.000 2.492 255 N HA -0.042 4.698 4.740 0.001 0.000 0.262 255 N C 0.680 175.967 175.510 -0.372 0.000 1.202 255 N CA 0.101 52.742 53.050 -0.682 0.000 0.926 255 N CB 0.828 38.979 38.487 -0.561 0.000 1.078 255 N HN 0.513 nan 8.380 nan 0.000 0.454 256 N N 2.270 120.741 118.700 -0.382 0.000 2.120 256 N HA -0.062 4.679 4.740 0.001 0.000 0.188 256 N C 1.077 176.485 175.510 -0.170 0.000 1.024 256 N CA 1.633 54.563 53.050 -0.200 0.000 0.852 256 N CB -0.062 38.335 38.487 -0.150 0.000 1.003 256 N HN 0.811 nan 8.380 nan 0.000 0.424 257 G N -0.365 108.310 108.800 -0.208 0.000 2.672 257 G HA2 -0.184 3.777 3.960 0.001 0.000 0.197 257 G HA3 -0.184 3.777 3.960 0.001 0.000 0.197 257 G C 0.196 175.027 174.900 -0.114 0.000 0.995 257 G CA 0.290 45.306 45.100 -0.140 0.000 0.754 257 G HN 0.469 nan 8.290 nan 0.000 0.505 258 N N 0.375 119.001 118.700 -0.123 0.000 2.170 258 N HA 0.428 5.169 4.740 0.001 0.000 0.222 258 N C 1.293 176.762 175.510 -0.069 0.000 1.218 258 N CA 0.573 53.580 53.050 -0.072 0.000 0.889 258 N CB 0.383 38.844 38.487 -0.044 0.000 1.083 258 N HN 1.482 nan 8.380 nan 0.000 0.520 259 G N 0.151 108.853 108.800 -0.164 0.000 2.171 259 G HA2 -0.250 3.711 3.960 0.001 0.000 0.238 259 G HA3 -0.250 3.711 3.960 0.001 0.000 0.238 259 G C -0.111 174.791 174.900 0.004 0.000 1.039 259 G CA 0.481 45.512 45.100 -0.115 0.000 0.759 259 G HN 0.783 nan 8.290 nan 0.000 0.501 260 T N -2.218 112.267 114.554 -0.116 0.000 2.950 260 T HA 0.830 5.180 4.350 0.001 0.000 0.288 260 T C -0.468 174.167 174.700 -0.108 0.000 1.035 260 T CA -0.972 61.160 62.100 0.053 0.000 1.028 260 T CB 2.512 71.395 68.868 0.026 0.000 1.109 260 T HN 0.415 nan 8.240 nan 0.000 0.514 261 F N -0.711 119.234 119.950 -0.008 0.000 2.576 261 F HA 0.641 5.169 4.527 0.000 0.000 0.313 261 F C 1.168 176.975 175.800 0.012 0.000 1.078 261 F CA -0.840 57.158 58.000 -0.003 0.000 0.921 261 F CB 2.102 41.094 39.000 -0.013 0.000 1.232 261 F HN 0.964 nan 8.300 nan 0.000 0.459 262 G N 0.773 109.684 108.800 0.184 0.000 2.711 262 G HA2 0.511 4.471 3.960 0.001 0.000 0.186 262 G HA3 0.511 4.471 3.960 0.001 0.000 0.186 262 G C -0.891 174.091 174.900 0.136 0.000 1.635 262 G CA 0.218 45.389 45.100 0.118 0.000 1.065 262 G HN 0.848 nan 8.290 nan 0.000 0.545 263 A N -1.926 120.965 122.820 0.119 0.000 2.413 263 A HA 0.644 4.965 4.320 0.001 0.000 0.307 263 A C -0.564 177.099 177.584 0.130 0.000 1.087 263 A CA -0.479 51.620 52.037 0.103 0.000 0.750 263 A CB 1.764 20.805 19.000 0.069 0.000 1.296 263 A HN 0.829 nan 8.150 nan 0.000 0.423 264 V N 1.541 121.517 119.914 0.104 0.000 2.614 264 V HA 0.251 4.371 4.120 0.001 0.000 0.291 264 V C 0.017 176.220 176.094 0.181 0.000 1.049 264 V CA 0.003 62.380 62.300 0.129 0.000 1.038 264 V CB 0.563 32.337 31.823 -0.082 0.000 0.980 264 V HN 0.882 nan 8.190 nan 0.000 0.481 265 N N 2.751 121.611 118.700 0.268 0.000 2.549 265 N HA 0.330 5.071 4.740 0.001 0.000 0.290 265 N C -0.962 174.634 175.510 0.143 0.000 1.122 265 N CA -0.725 52.444 53.050 0.198 0.000 0.885 265 N CB 1.647 40.218 38.487 0.139 0.000 1.455 265 N HN 0.672 nan 8.380 nan 0.000 0.521 266 L N 4.264 125.500 121.223 0.022 0.000 2.774 266 L HA 0.054 4.394 4.340 0.001 0.000 0.284 266 L C 1.042 177.822 176.870 -0.149 0.000 1.149 266 L CA 0.376 54.999 54.840 -0.363 0.000 1.069 266 L CB 0.053 41.887 42.059 -0.374 0.000 1.407 266 L HN 0.599 nan 8.230 nan 0.000 0.460 267 V N 3.429 123.292 119.914 -0.085 0.000 3.541 267 V HA 0.274 4.394 4.120 0.001 0.000 0.267 267 V C 0.159 176.260 176.094 0.013 0.000 1.213 267 V CA 0.357 62.675 62.300 0.030 0.000 1.149 267 V CB -0.057 31.869 31.823 0.171 0.000 0.822 267 V HN 0.591 nan 8.190 nan 0.000 0.462 268 L N -0.041 121.125 121.223 -0.096 0.000 2.611 268 L HA 0.478 4.819 4.340 0.001 0.000 0.260 268 L C -0.403 176.409 176.870 -0.097 0.000 0.924 268 L CA -0.540 54.259 54.840 -0.069 0.000 0.901 268 L CB 1.962 43.969 42.059 -0.085 0.000 1.369 268 L HN -0.009 nan 8.230 nan 0.000 0.415 269 K N 3.315 123.674 120.400 -0.067 0.000 2.758 269 K HA 0.342 4.663 4.320 0.001 0.000 0.250 269 K C -1.002 175.552 176.600 -0.077 0.000 1.268 269 K CA 0.012 56.258 56.287 -0.067 0.000 1.228 269 K CB -0.139 32.333 32.500 -0.047 0.000 1.715 269 K HN 0.588 nan 8.250 nan 0.000 0.334 270 D N -0.729 119.616 120.400 -0.092 0.000 2.755 270 D HA 0.118 4.758 4.640 0.001 0.000 0.277 270 D C -0.447 175.749 176.300 -0.174 0.000 1.261 270 D CA -0.512 53.365 54.000 -0.206 0.000 0.759 270 D CB 0.595 41.149 40.800 -0.411 0.000 1.279 270 D HN 0.123 nan 8.370 nan 0.000 0.420 271 F N -1.433 118.340 119.950 -0.295 0.000 2.988 271 F HA -0.100 4.427 4.527 0.000 0.000 0.287 271 F C 0.709 176.363 175.800 -0.244 0.000 0.781 271 F CA 1.104 58.576 58.000 -0.880 0.000 1.221 271 F CB -1.561 37.151 39.000 -0.480 0.000 1.392 271 F HN 0.319 nan 8.300 nan 0.000 0.425 272 G N -0.839 108.068 108.800 0.179 0.000 2.735 272 G HA2 0.543 4.503 3.960 0.001 0.000 0.301 272 G HA3 0.543 4.503 3.960 0.001 0.000 0.301 272 G C 0.549 175.640 174.900 0.320 0.000 1.279 272 G CA -0.149 45.112 45.100 0.269 0.000 1.019 272 G HN -0.026 nan 8.290 nan 0.000 0.497 273 V N 0.650 120.714 119.914 0.251 0.000 2.295 273 V HA -0.189 3.931 4.120 0.001 0.000 0.246 273 V C 2.716 178.892 176.094 0.137 0.000 1.049 273 V CA 1.990 64.413 62.300 0.204 0.000 1.024 273 V CB -0.532 31.399 31.823 0.179 0.000 0.648 273 V HN 0.615 nan 8.190 nan 0.000 0.447 274 N N 0.814 119.576 118.700 0.102 0.000 2.205 274 N HA -0.124 4.616 4.740 0.001 0.000 0.186 274 N C 1.701 177.243 175.510 0.053 0.000 1.015 274 N CA 1.760 54.845 53.050 0.058 0.000 0.862 274 N CB -0.398 38.112 38.487 0.039 0.000 0.986 274 N HN 0.538 nan 8.380 nan 0.000 0.429 275 S N -1.034 114.729 115.700 0.106 0.000 2.671 275 S HA 0.363 4.834 4.470 0.001 0.000 0.220 275 S C 1.318 175.940 174.600 0.037 0.000 0.951 275 S CA 0.258 58.512 58.200 0.090 0.000 0.932 275 S CB 0.348 63.617 63.200 0.115 0.000 0.777 275 S HN 0.524 nan 8.310 nan 0.000 0.508 276 G N 0.587 109.397 108.800 0.016 0.000 2.159 276 G HA2 -0.218 3.742 3.960 0.001 0.000 0.227 276 G HA3 -0.218 3.742 3.960 0.001 0.000 0.227 276 G C -0.365 174.438 174.900 -0.162 0.000 0.986 276 G CA -0.695 44.322 45.100 -0.138 0.000 0.651 276 G HN 0.460 nan 8.290 nan 0.000 0.523 277 W N 1.070 122.375 121.300 0.008 0.000 2.338 277 W HA 0.790 5.451 4.660 0.001 0.000 0.307 277 W C 0.751 177.395 176.519 0.209 0.000 1.167 277 W CA -0.659 56.739 57.345 0.089 0.000 1.208 277 W CB 0.791 30.272 29.460 0.035 0.000 1.228 277 W HN 0.096 nan 8.180 nan 0.000 0.499 278 R N 2.083 122.913 120.500 0.550 0.000 2.621 278 R HA 0.368 4.708 4.340 0.001 0.000 0.292 278 R C 0.483 176.876 176.300 0.155 0.000 0.969 278 R CA -0.803 55.425 56.100 0.212 0.000 0.887 278 R CB 1.957 32.259 30.300 0.003 0.000 1.180 278 R HN 0.332 nan 8.270 nan 0.000 0.450 279 V N 2.171 122.146 119.914 0.102 0.000 2.332 279 V HA -0.259 3.861 4.120 0.001 0.000 0.248 279 V C 1.449 177.560 176.094 0.028 0.000 1.055 279 V CA 1.951 64.297 62.300 0.076 0.000 1.038 279 V CB -0.428 31.425 31.823 0.051 0.000 0.651 279 V HN 0.749 nan 8.190 nan 0.000 0.450 280 E N 0.462 120.652 120.200 -0.017 0.000 2.187 280 E HA -0.235 4.115 4.350 0.001 0.000 0.199 280 E C 2.057 178.621 176.600 -0.060 0.000 1.004 280 E CA 1.536 57.914 56.400 -0.038 0.000 0.813 280 E CB -0.187 29.472 29.700 -0.069 0.000 0.736 280 E HN 0.625 nan 8.360 nan 0.000 0.468 281 K N -1.286 118.991 120.400 -0.206 0.000 2.436 281 K HA 0.202 4.522 4.320 0.001 0.000 0.198 281 K C -0.052 176.423 176.600 -0.209 0.000 1.174 281 K CA 0.138 56.218 56.287 -0.345 0.000 0.951 281 K CB 0.687 32.565 32.500 -1.036 0.000 1.040 281 K HN 0.194 nan 8.250 nan 0.000 0.536 282 H N -0.297 118.868 119.070 0.158 0.000 2.768 282 H HA 0.393 4.949 4.556 0.000 0.000 0.371 282 H C -1.207 174.270 175.328 0.248 0.000 1.151 282 H CA -1.138 55.066 56.048 0.261 0.000 1.165 282 H CB 2.353 32.320 29.762 0.342 0.000 1.722 282 H HN -0.258 nan 8.280 nan 0.000 0.543 283 V N 2.455 122.624 119.914 0.425 0.000 2.459 283 V HA 0.481 4.602 4.120 0.001 0.000 0.295 283 V C -0.063 176.183 176.094 0.253 0.000 1.029 283 V CA -0.781 61.656 62.300 0.228 0.000 0.874 283 V CB 1.395 33.237 31.823 0.031 0.000 0.985 283 V HN 0.693 nan 8.190 nan 0.000 0.438 284 R N 2.652 123.138 120.500 -0.023 0.000 2.561 284 R HA 0.780 5.121 4.340 0.001 0.000 0.297 284 R C -1.384 174.799 176.300 -0.196 0.000 0.969 284 R CA -0.287 55.615 56.100 -0.330 0.000 0.879 284 R CB 1.881 31.528 30.300 -1.088 0.000 1.178 284 R HN 0.784 nan 8.270 nan 0.000 0.445 285 C N 1.515 120.781 119.300 -0.056 0.000 2.971 285 C HA 0.706 5.167 4.460 0.001 0.000 0.310 285 C C -0.599 174.464 174.990 0.122 0.000 1.285 285 C CA -0.784 58.292 59.018 0.096 0.000 1.593 285 C CB 2.153 29.979 27.740 0.143 0.000 2.076 285 C HN 0.484 nan 8.230 nan 0.000 0.472 286 V N 1.851 121.852 119.914 0.146 0.000 2.483 286 V HA 0.807 4.927 4.120 0.001 0.000 0.297 286 V C -0.257 175.903 176.094 0.110 0.000 1.027 286 V CA 0.125 62.491 62.300 0.110 0.000 0.855 286 V CB 1.524 33.406 31.823 0.098 0.000 0.995 286 V HN 1.029 nan 8.190 nan 0.000 0.424 287 S N 3.547 119.308 115.700 0.103 0.000 2.588 287 S HA 0.572 5.042 4.470 0.001 0.000 0.269 287 S C -0.740 173.916 174.600 0.094 0.000 1.157 287 S CA -0.538 57.723 58.200 0.102 0.000 0.824 287 S CB 2.228 65.500 63.200 0.120 0.000 1.126 287 S HN 0.607 nan 8.310 nan 0.000 0.464 288 S N 2.519 118.265 115.700 0.077 0.000 2.448 288 S HA 0.378 4.848 4.470 0.001 0.000 0.279 288 S C 0.624 175.262 174.600 0.064 0.000 1.195 288 S CA -0.566 57.671 58.200 0.062 0.000 1.051 288 S CB 0.170 63.395 63.200 0.041 0.000 0.948 288 S HN 0.581 nan 8.310 nan 0.000 0.493 289 L N 2.268 123.531 121.223 0.067 0.000 2.808 289 L HA 0.251 4.591 4.340 0.001 0.000 0.246 289 L C 0.932 177.802 176.870 0.000 0.000 1.153 289 L CA -0.271 54.599 54.840 0.051 0.000 0.956 289 L CB -0.411 41.717 42.059 0.114 0.000 1.270 289 L HN 0.705 nan 8.230 nan 0.000 0.528 290 T N -4.836 109.721 114.554 0.005 0.000 2.812 290 T HA 0.207 4.557 4.350 0.001 0.000 0.294 290 T C 0.528 175.221 174.700 -0.011 0.000 1.159 290 T CA -0.473 61.620 62.100 -0.011 0.000 1.008 290 T CB 1.348 70.213 68.868 -0.005 0.000 1.289 290 T HN 0.070 nan 8.240 nan 0.000 0.514 291 N N 0.147 118.837 118.700 -0.017 0.000 2.573 291 N HA -0.055 4.685 4.740 0.001 0.000 0.187 291 N C 1.023 176.525 175.510 -0.013 0.000 1.107 291 N CA 0.463 53.504 53.050 -0.015 0.000 0.918 291 N CB -0.471 38.005 38.487 -0.017 0.000 0.966 291 N HN 0.664 nan 8.380 nan 0.000 0.448 292 K N 0.123 120.514 120.400 -0.014 0.000 2.486 292 K HA 0.054 4.374 4.320 0.001 0.000 0.194 292 K C -0.137 176.454 176.600 -0.015 0.000 1.033 292 K CA 0.024 56.300 56.287 -0.019 0.000 1.004 292 K CB 0.071 32.554 32.500 -0.029 0.000 0.798 292 K HN -0.050 nan 8.250 nan 0.000 0.495 293 K N 0.809 121.206 120.400 -0.006 0.000 3.490 293 K HA -0.154 4.166 4.320 0.001 0.000 0.273 293 K C -0.456 176.144 176.600 0.000 0.000 0.916 293 K CA 0.745 57.033 56.287 0.001 0.000 0.718 293 K CB -2.100 30.400 32.500 0.000 0.000 1.477 293 K HN 0.264 nan 8.250 nan 0.000 0.452 294 V N -3.939 115.976 119.914 0.002 0.000 3.159 294 V HA 0.792 4.912 4.120 0.001 0.000 0.308 294 V C 0.819 176.930 176.094 0.027 0.000 1.190 294 V CA -0.777 61.523 62.300 0.000 0.000 1.037 294 V CB 2.083 33.887 31.823 -0.033 0.000 1.060 294 V HN 0.276 nan 8.190 nan 0.000 0.437 295 G N 1.291 110.117 108.800 0.044 0.000 2.327 295 G HA2 0.329 4.289 3.960 0.001 0.000 0.278 295 G HA3 0.329 4.289 3.960 0.001 0.000 0.278 295 G C -0.300 174.698 174.900 0.163 0.000 1.145 295 G CA -0.017 45.139 45.100 0.093 0.000 1.097 295 G HN 0.750 nan 8.290 nan 0.000 0.430 296 D N 1.484 121.979 120.400 0.159 0.000 2.432 296 D HA 0.409 5.049 4.640 0.001 0.000 0.258 296 D C 0.201 176.593 176.300 0.154 0.000 1.146 296 D CA -0.119 54.018 54.000 0.229 0.000 1.015 296 D CB 1.986 42.880 40.800 0.157 0.000 1.107 296 D HN 0.184 nan 8.370 nan 0.000 0.529 297 I N 0.714 121.328 120.570 0.075 0.000 2.474 297 I HA 0.331 4.501 4.170 0.001 0.000 0.294 297 I C -0.750 175.233 176.117 -0.224 0.000 1.005 297 I CA -0.695 60.495 61.300 -0.184 0.000 1.113 297 I CB 1.469 39.154 38.000 -0.526 0.000 1.289 297 I HN 0.103 nan 8.210 nan 0.000 0.436 298 I N 4.847 125.254 120.570 -0.272 0.000 2.534 298 I HA 0.666 4.837 4.170 0.001 0.000 0.288 298 I C -0.012 175.946 176.117 -0.265 0.000 1.077 298 I CA -0.231 60.935 61.300 -0.222 0.000 1.051 298 I CB 2.089 40.010 38.000 -0.132 0.000 1.234 298 I HN 0.563 nan 8.210 nan 0.000 0.425 299 G N 4.631 113.338 108.800 -0.155 0.000 2.687 299 G HA2 0.677 4.638 3.960 0.001 0.000 0.301 299 G HA3 0.677 4.638 3.960 0.001 0.000 0.301 299 G C -1.357 173.756 174.900 0.354 0.000 1.416 299 G CA -0.480 44.644 45.100 0.040 0.000 1.005 299 G HN 0.303 nan 8.290 nan 0.000 0.509 300 F N 2.465 122.667 119.950 0.420 0.000 2.375 300 F HA 0.510 5.037 4.527 0.000 0.000 0.362 300 F C 1.214 177.323 175.800 0.514 0.000 1.129 300 F CA -0.073 58.153 58.000 0.377 0.000 1.154 300 F CB 1.682 40.801 39.000 0.198 0.000 1.205 300 F HN 0.587 nan 8.300 nan 0.000 0.513 301 G N 1.954 111.044 108.800 0.483 0.000 2.857 301 G HA2 0.130 4.091 3.960 0.001 0.000 0.217 301 G HA3 0.130 4.091 3.960 0.001 0.000 0.217 301 G C 0.332 175.328 174.900 0.160 0.000 1.357 301 G CA -0.372 44.631 45.100 -0.162 0.000 1.033 301 G HN 0.397 nan 8.290 nan 0.000 0.571 302 D N -0.102 120.304 120.400 0.009 0.000 2.106 302 D HA -0.022 4.618 4.640 0.001 0.000 0.203 302 D C 2.670 179.082 176.300 0.187 0.000 0.977 302 D CA 1.448 55.552 54.000 0.172 0.000 0.844 302 D CB -0.437 40.397 40.800 0.056 0.000 1.002 302 D HN 0.305 nan 8.370 nan 0.000 0.461 303 A N 0.331 123.253 122.820 0.171 0.000 1.929 303 A HA 0.335 4.655 4.320 0.001 0.000 0.216 303 A C 1.355 178.977 177.584 0.064 0.000 1.176 303 A CA 1.935 54.047 52.037 0.126 0.000 0.628 303 A CB -0.148 18.940 19.000 0.146 0.000 0.816 303 A HN 0.397 nan 8.150 nan 0.000 0.444 304 G N -2.675 106.173 108.800 0.080 0.000 2.393 304 G HA2 0.403 4.364 3.960 0.001 0.000 0.264 304 G HA3 0.403 4.364 3.960 0.001 0.000 0.264 304 G C -1.341 173.500 174.900 -0.099 0.000 1.221 304 G CA 0.081 45.144 45.100 -0.062 0.000 0.912 304 G HN 0.420 nan 8.290 nan 0.000 0.483 305 V N 0.680 120.410 119.914 -0.306 0.000 2.509 305 V HA 0.576 4.696 4.120 0.001 0.000 0.284 305 V C -1.066 174.762 176.094 -0.443 0.000 1.047 305 V CA -0.242 61.816 62.300 -0.404 0.000 0.952 305 V CB 0.871 32.298 31.823 -0.661 0.000 0.988 305 V HN 0.506 nan 8.190 nan 0.000 0.469 306 Y N 2.746 123.044 120.300 -0.004 0.000 2.350 306 Y HA 0.654 5.204 4.550 0.000 0.000 0.338 306 Y C -0.089 175.920 175.900 0.182 0.000 0.961 306 Y CA -0.713 57.484 58.100 0.162 0.000 1.100 306 Y CB 2.160 40.834 38.460 0.358 0.000 1.179 306 Y HN 0.353 nan 8.280 nan 0.000 0.454 307 V N 2.963 123.037 119.914 0.267 0.000 2.604 307 V HA 0.846 4.967 4.120 0.001 0.000 0.305 307 V C -0.627 175.639 176.094 0.288 0.000 1.043 307 V CA -0.910 61.515 62.300 0.209 0.000 0.888 307 V CB 1.756 33.660 31.823 0.134 0.000 0.995 307 V HN 0.819 nan 8.190 nan 0.000 0.429 308 A N 5.675 128.653 122.820 0.263 0.000 2.332 308 A HA 0.823 5.144 4.320 0.001 0.000 0.300 308 A C -0.853 176.933 177.584 0.336 0.000 1.153 308 A CA -0.497 51.718 52.037 0.295 0.000 0.764 308 A CB 0.683 19.876 19.000 0.323 0.000 1.174 308 A HN 0.793 nan 8.150 nan 0.000 0.467 309 L N 2.194 123.586 121.223 0.283 0.000 2.326 309 L HA 0.307 4.647 4.340 0.001 0.000 0.278 309 L C 0.478 177.435 176.870 0.144 0.000 1.092 309 L CA -0.822 54.141 54.840 0.206 0.000 0.810 309 L CB 0.817 42.945 42.059 0.115 0.000 1.153 309 L HN 0.733 nan 8.230 nan 0.000 0.439 310 N N 2.743 121.432 118.700 -0.018 0.000 2.415 310 N HA 0.025 4.766 4.740 0.001 0.000 0.246 310 N C 0.707 176.062 175.510 -0.257 0.000 1.078 310 N CA -0.083 52.716 53.050 -0.418 0.000 0.942 310 N CB 0.578 38.840 38.487 -0.376 0.000 1.140 310 N HN 0.491 nan 8.380 nan 0.000 0.501 311 N N 3.126 121.676 118.700 -0.251 0.000 2.096 311 N HA -0.185 4.555 4.740 0.001 0.000 0.195 311 N C 1.094 176.531 175.510 -0.122 0.000 1.017 311 N CA 2.003 54.971 53.050 -0.137 0.000 0.870 311 N CB -0.017 38.401 38.487 -0.115 0.000 1.024 311 N HN 0.806 nan 8.380 nan 0.000 0.434 312 G N -0.929 107.775 108.800 -0.160 0.000 3.578 312 G HA2 -0.154 3.806 3.960 0.001 0.000 0.220 312 G HA3 -0.154 3.806 3.960 0.001 0.000 0.220 312 G C 0.314 175.145 174.900 -0.114 0.000 0.933 312 G CA 0.371 45.402 45.100 -0.114 0.000 0.847 312 G HN 0.462 nan 8.290 nan 0.000 0.612 313 N N 0.092 118.707 118.700 -0.142 0.000 2.143 313 N HA 0.407 5.147 4.740 0.001 0.000 0.222 313 N C 1.383 176.820 175.510 -0.121 0.000 1.264 313 N CA 0.886 53.871 53.050 -0.107 0.000 0.897 313 N CB 0.735 39.176 38.487 -0.078 0.000 1.092 313 N HN 1.338 nan 8.380 nan 0.000 0.516 314 G N -0.194 108.473 108.800 -0.220 0.000 2.227 314 G HA2 -0.168 3.793 3.960 0.001 0.000 0.168 314 G HA3 -0.168 3.793 3.960 0.001 0.000 0.168 314 G C -0.084 174.623 174.900 -0.321 0.000 1.006 314 G CA 0.107 45.082 45.100 -0.208 0.000 0.684 314 G HN 0.734 nan 8.290 nan 0.000 0.489 315 T N -1.087 113.221 114.554 -0.409 0.000 2.925 315 T HA 0.800 5.150 4.350 0.001 0.000 0.285 315 T C -0.692 173.738 174.700 -0.450 0.000 1.021 315 T CA -0.862 61.106 62.100 -0.221 0.000 1.042 315 T CB 2.247 71.065 68.868 -0.083 0.000 1.037 315 T HN 0.394 nan 8.240 nan 0.000 0.481 316 F N 0.102 120.062 119.950 0.017 0.000 2.547 316 F HA 0.628 5.155 4.527 0.000 0.000 0.316 316 F C 1.029 176.854 175.800 0.041 0.000 1.121 316 F CA -0.906 57.113 58.000 0.032 0.000 0.911 316 F CB 1.997 41.024 39.000 0.044 0.000 1.179 316 F HN 1.023 nan 8.300 nan 0.000 0.443 317 G N 1.882 110.805 108.800 0.204 0.000 2.529 317 G HA2 0.381 4.341 3.960 0.001 0.000 0.277 317 G HA3 0.381 4.341 3.960 0.001 0.000 0.277 317 G C -2.504 172.492 174.900 0.160 0.000 1.383 317 G CA -1.087 44.099 45.100 0.143 0.000 1.050 317 G HN 0.378 nan 8.290 nan 0.000 0.526 318 P HA 0.138 nan 4.420 nan 0.000 0.268 318 P C 0.002 177.384 177.300 0.137 0.000 1.204 318 P CA -0.252 62.912 63.100 0.106 0.000 0.768 318 P CB 0.906 32.654 31.700 0.080 0.000 0.842 319 V N 4.753 124.745 119.914 0.131 0.000 2.673 319 V HA 0.037 4.157 4.120 0.001 0.000 0.303 319 V C 0.932 177.132 176.094 0.175 0.000 1.046 319 V CA 0.673 63.075 62.300 0.169 0.000 1.126 319 V CB -0.347 31.508 31.823 0.053 0.000 0.934 319 V HN 0.569 nan 8.190 nan 0.000 0.487 320 K N 4.101 124.625 120.400 0.206 0.000 2.502 320 K HA 0.504 4.824 4.320 0.001 0.000 0.257 320 K C -0.732 175.882 176.600 0.022 0.000 0.938 320 K CA -1.012 55.354 56.287 0.132 0.000 0.819 320 K CB 2.530 35.083 32.500 0.089 0.000 1.333 320 K HN 0.412 nan 8.250 nan 0.000 0.434 321 R N 2.390 122.825 120.500 -0.109 0.000 2.408 321 R HA 0.058 4.399 4.340 0.001 0.000 0.308 321 R C 1.095 177.266 176.300 -0.215 0.000 1.210 321 R CA -0.130 55.732 56.100 -0.396 0.000 1.115 321 R CB 0.100 30.137 30.300 -0.439 0.000 1.127 321 R HN 0.604 nan 8.270 nan 0.000 0.523 322 V N 2.517 122.314 119.914 -0.196 0.000 2.809 322 V HA 0.122 4.243 4.120 0.001 0.000 0.256 322 V C 0.911 176.950 176.094 -0.092 0.000 1.080 322 V CA 0.990 63.244 62.300 -0.077 0.000 1.102 322 V CB -0.464 31.343 31.823 -0.028 0.000 0.705 322 V HN 0.614 nan 8.190 nan 0.000 0.475 323 I N -0.764 119.693 120.570 -0.188 0.000 2.842 323 I HA 0.395 4.565 4.170 0.001 0.000 0.297 323 I C -1.458 174.574 176.117 -0.141 0.000 1.380 323 I CA -0.520 60.712 61.300 -0.114 0.000 1.018 323 I CB 2.246 40.219 38.000 -0.045 0.000 1.311 323 I HN -0.089 nan 8.210 nan 0.000 0.439 324 D N 6.230 126.570 120.400 -0.099 0.000 2.994 324 D HA 0.261 4.901 4.640 0.001 0.000 0.240 324 D C -0.601 175.635 176.300 -0.107 0.000 1.195 324 D CA 0.399 54.341 54.000 -0.097 0.000 0.957 324 D CB -0.256 40.501 40.800 -0.071 0.000 1.105 324 D HN 0.377 nan 8.370 nan 0.000 0.477 325 N N -0.582 118.052 118.700 -0.110 0.000 3.308 325 N HA 0.142 4.883 4.740 0.001 0.000 0.276 325 N C -0.502 174.908 175.510 -0.166 0.000 1.533 325 N CA -0.665 52.258 53.050 -0.212 0.000 0.878 325 N CB 0.657 38.897 38.487 -0.412 0.000 1.566 325 N HN -0.059 nan 8.380 nan 0.000 0.546 326 F N -1.846 117.766 119.950 -0.564 0.000 3.034 326 F HA -0.137 4.391 4.527 0.002 0.000 0.286 326 F C 0.837 176.415 175.800 -0.370 0.000 0.804 326 F CA 1.113 58.467 58.000 -1.078 0.000 1.161 326 F CB -1.658 37.055 39.000 -0.479 0.000 1.317 326 F HN 0.431 nan 8.300 nan 0.000 0.453 327 G N -1.934 106.886 108.800 0.033 0.000 2.597 327 G HA2 0.406 4.366 3.960 0.001 0.000 0.317 327 G HA3 0.406 4.366 3.960 0.001 0.000 0.317 327 G C -0.006 175.117 174.900 0.371 0.000 1.230 327 G CA -0.479 44.784 45.100 0.272 0.000 0.996 327 G HN 0.093 nan 8.290 nan 0.000 0.490 328 Y N 0.361 120.807 120.300 0.243 0.000 2.224 328 Y HA -0.157 4.393 4.550 0.000 0.000 0.289 328 Y C 2.487 178.460 175.900 0.122 0.000 1.146 328 Y CA 2.082 60.290 58.100 0.180 0.000 1.182 328 Y CB 0.264 38.790 38.460 0.110 0.000 0.983 328 Y HN 0.424 nan 8.280 nan 0.000 0.524 329 N N 0.087 118.940 118.700 0.256 0.000 2.453 329 N HA -0.121 4.619 4.740 0.001 0.000 0.183 329 N C 0.807 176.341 175.510 0.040 0.000 1.041 329 N CA 1.014 54.143 53.050 0.132 0.000 0.900 329 N CB -0.224 38.333 38.487 0.117 0.000 0.961 329 N HN 0.502 nan 8.380 nan 0.000 0.443 330 Q N -0.817 119.027 119.800 0.074 0.000 2.220 330 Q HA 0.377 4.718 4.340 0.001 0.000 0.205 330 Q C 0.788 176.735 176.000 -0.088 0.000 0.865 330 Q CA 0.198 56.015 55.803 0.022 0.000 0.960 330 Q CB 0.488 29.262 28.738 0.059 0.000 1.097 330 Q HN 0.316 nan 8.270 nan 0.000 0.493 331 G N -0.815 107.891 108.800 -0.156 0.000 2.144 331 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 331 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 331 G C -0.751 173.876 174.900 -0.455 0.000 0.988 331 G CA -0.721 44.167 45.100 -0.353 0.000 0.659 331 G HN 0.258 nan 8.290 nan 0.000 0.522 332 W N 2.025 123.173 121.300 -0.253 0.000 2.388 332 W HA 0.725 5.385 4.660 -0.000 0.000 0.308 332 W C 0.748 177.301 176.519 0.057 0.000 1.263 332 W CA -0.550 56.726 57.345 -0.114 0.000 1.286 332 W CB 0.611 30.062 29.460 -0.015 0.000 1.294 332 W HN -0.038 nan 8.180 nan 0.000 0.493 333 R N 2.441 123.207 120.500 0.442 0.000 2.589 333 R HA 0.322 4.662 4.340 0.001 0.000 0.293 333 R C 0.628 177.056 176.300 0.214 0.000 0.963 333 R CA -0.766 55.480 56.100 0.243 0.000 0.905 333 R CB 1.555 31.909 30.300 0.090 0.000 1.144 333 R HN 0.353 nan 8.270 nan 0.000 0.459 334 V N 1.257 121.267 119.914 0.160 0.000 2.407 334 V HA -0.232 3.889 4.120 0.001 0.000 0.248 334 V C 1.243 177.364 176.094 0.044 0.000 1.055 334 V CA 2.316 64.677 62.300 0.102 0.000 1.049 334 V CB -0.449 31.423 31.823 0.082 0.000 0.662 334 V HN 0.763 nan 8.190 nan 0.000 0.455 335 D N -1.185 119.225 120.400 0.017 0.000 2.352 335 D HA 0.019 4.659 4.640 0.001 0.000 0.236 335 D C 1.088 177.330 176.300 -0.096 0.000 1.148 335 D CA 0.341 54.327 54.000 -0.023 0.000 0.844 335 D CB 0.036 40.828 40.800 -0.013 0.000 0.933 335 D HN 0.384 nan 8.370 nan 0.000 0.507 336 K N -1.118 119.177 120.400 -0.175 0.000 2.611 336 K HA 0.077 4.398 4.320 0.001 0.000 0.209 336 K C -0.420 175.899 176.600 -0.468 0.000 1.658 336 K CA -0.189 55.839 56.287 -0.433 0.000 1.080 336 K CB 0.763 32.765 32.500 -0.830 0.000 1.430 336 K HN 0.147 nan 8.250 nan 0.000 0.596 337 H N 1.381 120.493 119.070 0.069 0.000 2.488 337 H HA 0.233 4.790 4.556 0.001 0.000 0.237 337 H C -2.828 172.640 175.328 0.233 0.000 1.395 337 H CA -1.855 54.292 56.048 0.166 0.000 1.491 337 H CB 0.942 30.782 29.762 0.128 0.000 1.567 337 H HN -0.084 nan 8.280 nan 0.000 0.508 338 P HA 0.062 nan 4.420 nan 0.000 0.265 338 P C -0.194 177.093 177.300 -0.021 0.000 1.193 338 P CA 0.107 63.210 63.100 0.005 0.000 0.765 338 P CB 0.874 32.568 31.700 -0.010 0.000 0.823 339 R N 2.312 122.524 120.500 -0.480 0.000 2.670 339 R HA 0.710 5.051 4.340 0.001 0.000 0.289 339 R C -0.875 174.931 176.300 -0.823 0.000 0.965 339 R CA -0.520 55.246 56.100 -0.557 0.000 0.899 339 R CB 1.350 31.133 30.300 -0.861 0.000 1.173 339 R HN 0.353 nan 8.270 nan 0.000 0.456 340 F N 0.470 120.394 119.950 -0.044 0.000 2.591 340 F HA 0.392 4.919 4.527 0.001 0.000 0.309 340 F C -0.498 175.347 175.800 0.075 0.000 1.098 340 F CA -0.975 57.057 58.000 0.054 0.000 0.937 340 F CB 1.917 40.999 39.000 0.138 0.000 1.250 340 F HN 0.033 nan 8.300 nan 0.000 0.447 341 V N 3.635 123.733 119.914 0.308 0.000 2.347 341 V HA 0.760 4.881 4.120 0.001 0.000 0.280 341 V C -0.733 175.486 176.094 0.208 0.000 1.021 341 V CA -0.633 61.808 62.300 0.234 0.000 0.847 341 V CB 1.358 33.309 31.823 0.213 0.000 0.990 341 V HN 0.629 nan 8.190 nan 0.000 0.444 342 V N 3.703 123.720 119.914 0.171 0.000 3.098 342 V HA 0.449 4.569 4.120 0.001 0.000 0.294 342 V C -1.502 174.653 176.094 0.102 0.000 1.351 342 V CA -0.647 61.730 62.300 0.129 0.000 0.999 342 V CB 2.483 34.378 31.823 0.120 0.000 1.104 342 V HN 0.864 nan 8.190 nan 0.000 0.438 343 D N 3.984 124.430 120.400 0.076 0.000 2.358 343 D HA 0.297 4.937 4.640 0.001 0.000 0.258 343 D C 0.745 177.076 176.300 0.052 0.000 1.223 343 D CA 0.396 54.431 54.000 0.057 0.000 0.886 343 D CB 1.093 41.918 40.800 0.041 0.000 1.120 343 D HN 0.557 nan 8.370 nan 0.000 0.482 344 L N 2.583 123.837 121.223 0.051 0.000 2.664 344 L HA 0.090 4.430 4.340 0.001 0.000 0.233 344 L C 1.847 178.738 176.870 0.035 0.000 1.113 344 L CA 0.351 55.219 54.840 0.046 0.000 0.896 344 L CB 0.291 42.381 42.059 0.052 0.000 1.163 344 L HN 0.466 nan 8.230 nan 0.000 0.497 345 T N -5.077 109.494 114.554 0.027 0.000 3.010 345 T HA 0.260 4.610 4.350 0.001 0.000 0.257 345 T C 1.421 176.128 174.700 0.012 0.000 1.020 345 T CA 0.536 62.646 62.100 0.017 0.000 0.938 345 T CB 0.933 69.805 68.868 0.007 0.000 1.049 345 T HN 0.276 nan 8.240 nan 0.000 0.522 346 G N 2.973 111.782 108.800 0.015 0.000 2.159 346 G HA2 -0.280 3.680 3.960 0.001 0.000 0.256 346 G HA3 -0.280 3.680 3.960 0.001 0.000 0.256 346 G C 0.462 175.365 174.900 0.005 0.000 0.977 346 G CA 0.475 45.583 45.100 0.013 0.000 0.652 346 G HN 0.747 nan 8.290 nan 0.000 0.531 347 D N -0.078 120.321 120.400 -0.002 0.000 2.340 347 D HA 0.358 4.998 4.640 0.001 0.000 0.220 347 D C 1.844 178.138 176.300 -0.010 0.000 1.039 347 D CA 0.724 54.717 54.000 -0.011 0.000 0.866 347 D CB -0.562 40.224 40.800 -0.023 0.000 0.913 347 D HN 1.570 nan 8.370 nan 0.000 0.523 348 G N -0.633 108.166 108.800 -0.002 0.000 2.225 348 G HA2 -0.278 3.683 3.960 0.001 0.000 0.254 348 G HA3 -0.278 3.683 3.960 0.001 0.000 0.254 348 G C 0.189 175.089 174.900 0.000 0.000 0.988 348 G CA 0.221 45.322 45.100 0.001 0.000 0.625 348 G HN 0.479 nan 8.290 nan 0.000 0.527 349 C N 2.011 121.303 119.300 -0.012 0.000 2.298 349 C HA 0.836 5.296 4.460 0.001 0.000 0.323 349 C C 1.065 176.051 174.990 -0.006 0.000 1.284 349 C CA -0.334 58.669 59.018 -0.024 0.000 1.577 349 C CB 0.422 28.116 27.740 -0.076 0.000 2.249 349 C HN 1.038 nan 8.230 nan 0.000 0.497 350 A N 3.835 126.680 122.820 0.042 0.000 2.462 350 A HA 0.490 4.810 4.320 0.001 0.000 0.243 350 A C 0.152 177.825 177.584 0.149 0.000 1.076 350 A CA 0.227 52.322 52.037 0.095 0.000 0.773 350 A CB 0.273 19.347 19.000 0.125 0.000 1.010 350 A HN 0.880 nan 8.150 nan 0.000 0.493 351 D N 0.180 120.679 120.400 0.164 0.000 2.616 351 D HA 0.632 5.272 4.640 0.001 0.000 0.260 351 D C -0.681 175.743 176.300 0.206 0.000 1.158 351 D CA -0.080 54.067 54.000 0.245 0.000 1.085 351 D CB 1.175 42.062 40.800 0.144 0.000 1.222 351 D HN 0.400 nan 8.370 nan 0.000 0.626 352 I N 0.742 121.388 120.570 0.126 0.000 2.498 352 I HA 0.316 4.487 4.170 0.001 0.000 0.290 352 I C -0.895 175.160 176.117 -0.104 0.000 1.032 352 I CA -0.838 60.420 61.300 -0.071 0.000 1.073 352 I CB 2.485 40.236 38.000 -0.414 0.000 1.251 352 I HN -0.069 nan 8.210 nan 0.000 0.426 353 V N 5.284 125.168 119.914 -0.050 0.000 2.789 353 V HA 0.921 5.041 4.120 0.001 0.000 0.311 353 V C -0.516 175.588 176.094 0.017 0.000 1.073 353 V CA -0.108 62.191 62.300 -0.003 0.000 0.921 353 V CB 2.053 33.876 31.823 -0.001 0.000 1.009 353 V HN 0.808 nan 8.190 nan 0.000 0.426 354 G N 4.486 113.392 108.800 0.177 0.000 2.617 354 G HA2 0.638 4.598 3.960 0.001 0.000 0.306 354 G HA3 0.638 4.598 3.960 0.001 0.000 0.306 354 G C -1.377 173.796 174.900 0.456 0.000 1.360 354 G CA -0.569 44.740 45.100 0.348 0.000 0.983 354 G HN 0.573 nan 8.290 nan 0.000 0.496 355 F N 2.320 122.564 119.950 0.489 0.000 2.368 355 F HA 0.470 4.998 4.527 0.001 0.000 0.362 355 F C 1.255 177.266 175.800 0.351 0.000 1.137 355 F CA -0.183 58.011 58.000 0.323 0.000 1.161 355 F CB 1.365 40.459 39.000 0.157 0.000 1.265 355 F HN 0.567 nan 8.300 nan 0.000 0.530 356 G N 1.627 110.657 108.800 0.383 0.000 2.531 356 G HA2 0.163 4.123 3.960 0.001 0.000 0.281 356 G HA3 0.163 4.123 3.960 0.001 0.000 0.281 356 G C 0.644 175.566 174.900 0.035 0.000 1.382 356 G CA -0.275 44.742 45.100 -0.139 0.000 1.045 356 G HN 0.476 nan 8.290 nan 0.000 0.533 357 E N -0.561 119.513 120.200 -0.209 0.000 2.058 357 E HA -0.107 4.243 4.350 0.001 0.000 0.194 357 E C 1.832 178.458 176.600 0.043 0.000 0.997 357 E CA 2.254 58.664 56.400 0.016 0.000 0.801 357 E CB -0.032 29.609 29.700 -0.098 0.000 0.746 357 E HN 0.517 nan 8.360 nan 0.000 0.450 358 N N -1.871 116.857 118.700 0.047 0.000 2.266 358 N HA 0.208 4.949 4.740 0.001 0.000 0.217 358 N C -1.019 174.481 175.510 -0.016 0.000 1.211 358 N CA 0.097 53.168 53.050 0.034 0.000 0.881 358 N CB 1.283 39.796 38.487 0.044 0.000 1.153 358 N HN -0.123 nan 8.380 nan 0.000 0.489 359 S N -0.405 115.278 115.700 -0.030 0.000 2.627 359 S HA 0.496 4.966 4.470 0.001 0.000 0.283 359 S C -0.737 173.718 174.600 -0.242 0.000 1.127 359 S CA -0.808 57.217 58.200 -0.291 0.000 0.863 359 S CB 2.449 65.194 63.200 -0.759 0.000 1.121 359 S HN -0.214 nan 8.310 nan 0.000 0.479 360 V N 1.756 121.492 119.914 -0.298 0.000 2.488 360 V HA 0.288 4.408 4.120 0.001 0.000 0.277 360 V C -1.083 174.836 176.094 -0.291 0.000 1.046 360 V CA -0.094 62.085 62.300 -0.202 0.000 0.986 360 V CB -0.109 31.555 31.823 -0.264 0.000 0.989 360 V HN 0.789 nan 8.190 nan 0.000 0.475 361 W N 3.056 124.453 121.300 0.161 0.000 2.573 361 W HA 0.760 5.420 4.660 -0.000 0.000 0.326 361 W C 0.067 176.756 176.519 0.283 0.000 1.049 361 W CA -0.327 57.150 57.345 0.218 0.000 1.220 361 W CB 1.825 31.413 29.460 0.213 0.000 1.373 361 W HN 0.665 nan 8.180 nan 0.000 0.507 362 A N 1.897 124.991 122.820 0.457 0.000 2.423 362 A HA 0.841 5.161 4.320 0.001 0.000 0.304 362 A C -1.577 176.239 177.584 0.388 0.000 1.104 362 A CA -0.670 51.566 52.037 0.333 0.000 0.757 362 A CB 1.674 20.768 19.000 0.157 0.000 1.313 362 A HN 0.762 nan 8.150 nan 0.000 0.423 363 C N 3.049 122.504 119.300 0.259 0.000 2.705 363 C HA 0.639 5.099 4.460 0.001 0.000 0.369 363 C C -1.321 173.845 174.990 0.294 0.000 1.069 363 C CA -0.754 58.428 59.018 0.272 0.000 1.260 363 C CB 0.477 28.370 27.740 0.255 0.000 1.764 363 C HN 0.788 nan 8.230 nan 0.000 0.469 364 M N 5.281 125.029 119.600 0.246 0.000 2.209 364 M HA 0.323 4.804 4.480 0.001 0.000 0.355 364 M C 0.192 176.468 176.300 -0.041 0.000 1.171 364 M CA -0.331 55.048 55.300 0.131 0.000 1.069 364 M CB 0.786 33.424 32.600 0.063 0.000 1.622 364 M HN 0.781 nan 8.290 nan 0.000 0.459 365 N N 2.542 121.039 118.700 -0.337 0.000 2.454 365 N HA 0.002 4.743 4.740 0.001 0.000 0.260 365 N C 0.480 175.728 175.510 -0.437 0.000 1.218 365 N CA 0.512 52.995 53.050 -0.944 0.000 0.904 365 N CB 0.785 38.819 38.487 -0.755 0.000 1.065 365 N HN 0.522 nan 8.380 nan 0.000 0.462 366 K N 2.266 122.430 120.400 -0.393 0.000 2.442 366 K HA -0.002 4.318 4.320 0.001 0.000 0.198 366 K C 0.956 177.465 176.600 -0.152 0.000 1.042 366 K CA 0.807 56.982 56.287 -0.188 0.000 0.958 366 K CB 0.068 32.493 32.500 -0.125 0.000 0.766 366 K HN 0.851 nan 8.250 nan 0.000 0.474 367 G N 1.475 110.161 108.800 -0.191 0.000 2.284 367 G HA2 -0.214 3.746 3.960 0.001 0.000 0.201 367 G HA3 -0.214 3.746 3.960 0.001 0.000 0.201 367 G C 0.412 175.250 174.900 -0.105 0.000 0.998 367 G CA 0.314 45.340 45.100 -0.123 0.000 0.651 367 G HN 0.443 nan 8.290 nan 0.000 0.489 368 D N -0.132 120.199 120.400 -0.116 0.000 2.407 368 D HA 0.428 5.069 4.640 0.001 0.000 0.208 368 D C 1.742 178.003 176.300 -0.065 0.000 1.083 368 D CA 0.855 54.812 54.000 -0.071 0.000 0.844 368 D CB -0.158 40.615 40.800 -0.045 0.000 0.967 368 D HN 1.626 nan 8.370 nan 0.000 0.506 369 G N 0.153 108.870 108.800 -0.138 0.000 2.148 369 G HA2 -0.198 3.762 3.960 0.001 0.000 0.203 369 G HA3 -0.198 3.762 3.960 0.001 0.000 0.203 369 G C 0.360 175.257 174.900 -0.004 0.000 0.993 369 G CA 0.288 45.347 45.100 -0.068 0.000 0.661 369 G HN 0.799 nan 8.290 nan 0.000 0.518 370 T N -1.743 112.747 114.554 -0.106 0.000 2.952 370 T HA 0.823 5.174 4.350 0.001 0.000 0.286 370 T C -0.362 174.237 174.700 -0.169 0.000 1.024 370 T CA -0.838 61.276 62.100 0.024 0.000 1.029 370 T CB 2.293 71.177 68.868 0.028 0.000 1.094 370 T HN 0.413 nan 8.240 nan 0.000 0.515 371 F N -0.691 119.254 119.950 -0.009 0.000 2.593 371 F HA 0.695 5.222 4.527 0.000 0.000 0.320 371 F C 1.006 176.810 175.800 0.008 0.000 1.060 371 F CA -0.645 57.351 58.000 -0.006 0.000 0.940 371 F CB 2.215 41.202 39.000 -0.022 0.000 1.268 371 F HN 1.013 nan 8.300 nan 0.000 0.475 372 G N 0.513 109.430 108.800 0.194 0.000 2.531 372 G HA2 0.598 4.558 3.960 0.001 0.000 0.281 372 G HA3 0.598 4.558 3.960 0.001 0.000 0.281 372 G C -2.678 172.310 174.900 0.147 0.000 1.382 372 G CA -1.241 43.935 45.100 0.126 0.000 1.045 372 G HN 0.357 nan 8.290 nan 0.000 0.533 373 P HA 0.308 nan 4.420 nan 0.000 0.276 373 P C -0.275 177.120 177.300 0.158 0.000 1.252 373 P CA -0.528 62.640 63.100 0.112 0.000 0.802 373 P CB 1.458 33.209 31.700 0.085 0.000 1.035 374 I N 0.767 121.435 120.570 0.163 0.000 2.882 374 I HA 0.142 4.312 4.170 0.001 0.000 0.286 374 I C 0.271 176.565 176.117 0.294 0.000 1.139 374 I CA -0.252 61.198 61.300 0.251 0.000 1.379 374 I CB 0.251 38.336 38.000 0.143 0.000 1.410 374 I HN 0.203 nan 8.210 nan 0.000 0.594 375 M N 6.776 126.598 119.600 0.369 0.000 2.395 375 M HA 0.353 4.834 4.480 0.001 0.000 0.307 375 M C -0.801 175.619 176.300 0.201 0.000 1.091 375 M CA -0.712 54.737 55.300 0.248 0.000 0.919 375 M CB 1.876 34.565 32.600 0.147 0.000 1.662 375 M HN 0.351 nan 8.290 nan 0.000 0.440 376 K N 3.451 123.821 120.400 -0.050 0.000 2.263 376 K HA 0.373 4.693 4.320 0.001 0.000 0.282 376 K C -0.024 176.392 176.600 -0.306 0.000 1.089 376 K CA -0.218 55.749 56.287 -0.533 0.000 0.907 376 K CB 0.632 32.775 32.500 -0.596 0.000 1.148 376 K HN 0.851 nan 8.250 nan 0.000 0.470 377 L N 4.068 125.114 121.223 -0.295 0.000 2.049 377 L HA 0.204 4.545 4.340 0.001 0.000 0.203 377 L C 1.073 177.840 176.870 -0.172 0.000 1.074 377 L CA 0.779 55.518 54.840 -0.169 0.000 0.749 377 L CB 0.057 42.037 42.059 -0.132 0.000 0.907 377 L HN 0.678 nan 8.230 nan 0.000 0.439 378 I N -1.670 118.766 120.570 -0.225 0.000 2.842 378 I HA 0.107 4.277 4.170 0.001 0.000 0.296 378 I C -1.651 174.347 176.117 -0.198 0.000 1.538 378 I CA -0.595 60.603 61.300 -0.171 0.000 0.994 378 I CB 2.359 40.291 38.000 -0.112 0.000 1.372 378 I HN -0.136 nan 8.210 nan 0.000 0.478 379 D N 4.979 125.291 120.400 -0.146 0.000 2.973 379 D HA 0.389 5.030 4.640 0.001 0.000 0.263 379 D C -1.057 175.190 176.300 -0.087 0.000 1.266 379 D CA 0.262 54.188 54.000 -0.123 0.000 0.975 379 D CB 0.214 40.957 40.800 -0.095 0.000 1.032 379 D HN 0.326 nan 8.370 nan 0.000 0.510 380 D N -0.395 119.939 120.400 -0.110 0.000 2.643 380 D HA 0.295 4.936 4.640 0.001 0.000 0.283 380 D C 0.310 176.458 176.300 -0.253 0.000 1.242 380 D CA -0.564 53.359 54.000 -0.130 0.000 0.863 380 D CB 1.414 42.147 40.800 -0.111 0.000 1.382 380 D HN -0.045 nan 8.370 nan 0.000 0.444 381 M N -0.403 118.851 119.600 -0.577 0.000 2.360 381 M HA -0.205 4.275 4.480 0.001 0.000 0.202 381 M C -0.349 175.604 176.300 -0.578 0.000 0.390 381 M CA 0.760 55.294 55.300 -1.277 0.000 0.470 381 M CB -2.338 29.736 32.600 -0.876 0.000 1.637 381 M HN 0.450 nan 8.290 nan 0.000 0.885 382 T N -4.748 109.645 114.554 -0.268 0.000 2.907 382 T HA 0.636 4.986 4.350 0.001 0.000 0.290 382 T C 0.855 175.641 174.700 0.144 0.000 1.066 382 T CA -0.796 61.316 62.100 0.021 0.000 1.012 382 T CB 2.129 71.012 68.868 0.024 0.000 1.184 382 T HN -0.056 nan 8.240 nan 0.000 0.522 383 V N 1.386 121.374 119.914 0.123 0.000 2.261 383 V HA -0.203 3.918 4.120 0.001 0.000 0.246 383 V C 3.150 179.295 176.094 0.086 0.000 1.047 383 V CA 2.620 64.976 62.300 0.092 0.000 1.015 383 V CB -1.321 30.520 31.823 0.030 0.000 0.642 383 V HN 1.131 nan 8.190 nan 0.000 0.446 384 S N 0.135 115.875 115.700 0.067 0.000 2.392 384 S HA -0.275 4.195 4.470 0.001 0.000 0.232 384 S C 1.787 176.426 174.600 0.065 0.000 1.041 384 S CA 1.531 59.760 58.200 0.048 0.000 1.026 384 S CB -0.424 62.795 63.200 0.032 0.000 0.845 384 S HN 0.562 nan 8.310 nan 0.000 0.465 385 K N 0.808 121.275 120.400 0.112 0.000 2.444 385 K HA 0.244 4.564 4.320 0.001 0.000 0.193 385 K C 1.286 178.020 176.600 0.224 0.000 1.024 385 K CA 0.680 57.062 56.287 0.158 0.000 1.077 385 K CB 0.268 32.871 32.500 0.172 0.000 0.833 385 K HN 0.677 nan 8.250 nan 0.000 0.517 386 G N 0.705 109.629 108.800 0.207 0.000 2.183 386 G HA2 -0.146 3.814 3.960 0.001 0.000 0.168 386 G HA3 -0.146 3.814 3.960 0.001 0.000 0.168 386 G C -0.864 174.022 174.900 -0.024 0.000 1.008 386 G CA -0.767 44.354 45.100 0.035 0.000 0.677 386 G HN 0.110 nan 8.290 nan 0.000 0.498 387 W N 2.065 123.326 121.300 -0.065 0.000 2.335 387 W HA 0.643 5.303 4.660 0.000 0.000 0.307 387 W C 0.776 177.251 176.519 -0.075 0.000 1.117 387 W CA 0.190 57.495 57.345 -0.067 0.000 1.228 387 W CB 1.317 30.742 29.460 -0.058 0.000 1.240 387 W HN 0.393 nan 8.180 nan 0.000 0.468 388 T N 0.093 114.693 114.554 0.077 0.000 2.908 388 T HA 0.448 4.798 4.350 0.001 0.000 0.290 388 T C 0.660 175.375 174.700 0.025 0.000 1.034 388 T CA -0.872 61.235 62.100 0.012 0.000 1.010 388 T CB 1.256 70.094 68.868 -0.051 0.000 1.068 388 T HN 0.383 nan 8.240 nan 0.000 0.481 389 L N 0.498 121.724 121.223 0.006 0.000 2.201 389 L HA -0.091 4.249 4.340 0.001 0.000 0.212 389 L C 2.620 179.504 176.870 0.024 0.000 1.105 389 L CA 1.085 55.935 54.840 0.017 0.000 0.775 389 L CB -0.497 41.564 42.059 0.003 0.000 0.913 389 L HN 0.671 nan 8.230 nan 0.000 0.440 390 Q N 0.057 119.860 119.800 0.006 0.000 2.245 390 Q HA -0.098 4.243 4.340 0.001 0.000 0.201 390 Q C 1.674 177.697 176.000 0.038 0.000 0.955 390 Q CA 1.157 56.972 55.803 0.019 0.000 0.870 390 Q CB 0.074 28.812 28.738 -0.000 0.000 0.945 390 Q HN 0.383 nan 8.270 nan 0.000 0.461 391 K N -0.499 119.891 120.400 -0.016 0.000 2.373 391 K HA 0.164 4.484 4.320 0.001 0.000 0.200 391 K C 0.048 176.669 176.600 0.036 0.000 1.054 391 K CA 0.516 56.788 56.287 -0.025 0.000 1.065 391 K CB 1.195 33.478 32.500 -0.362 0.000 0.886 391 K HN 0.208 nan 8.250 nan 0.000 0.546 392 T N -2.158 112.420 114.554 0.040 0.000 2.901 392 T HA 0.602 4.952 4.350 0.001 0.000 0.293 392 T C -0.562 174.226 174.700 0.147 0.000 1.084 392 T CA -0.805 61.355 62.100 0.099 0.000 1.008 392 T CB 2.085 71.017 68.868 0.106 0.000 1.170 392 T HN -0.221 nan 8.240 nan 0.000 0.509 393 V N 1.283 121.322 119.914 0.207 0.000 2.656 393 V HA 0.718 4.838 4.120 0.001 0.000 0.307 393 V C -0.232 175.911 176.094 0.082 0.000 1.051 393 V CA -0.980 61.368 62.300 0.079 0.000 0.893 393 V CB 1.728 33.560 31.823 0.015 0.000 0.999 393 V HN 0.925 nan 8.190 nan 0.000 0.426 394 R N 2.576 122.932 120.500 -0.239 0.000 2.628 394 R HA 0.728 5.068 4.340 0.001 0.000 0.288 394 R C -1.921 174.091 176.300 -0.481 0.000 0.980 394 R CA -0.637 55.249 56.100 -0.355 0.000 0.891 394 R CB 2.392 32.288 30.300 -0.674 0.000 1.188 394 R HN 0.679 nan 8.270 nan 0.000 0.450 395 Y N -0.055 120.201 120.300 -0.074 0.000 2.545 395 Y HA 0.623 5.173 4.550 0.001 0.000 0.348 395 Y C -0.111 175.651 175.900 -0.230 0.000 1.002 395 Y CA -1.020 56.936 58.100 -0.239 0.000 1.039 395 Y CB 2.195 40.597 38.460 -0.097 0.000 1.271 395 Y HN 0.645 nan 8.280 nan 0.000 0.467 396 A N 1.399 124.024 122.820 -0.324 0.000 2.306 396 A HA 0.932 5.252 4.320 0.001 0.000 0.314 396 A C -0.727 176.818 177.584 -0.066 0.000 1.164 396 A CA 0.115 52.087 52.037 -0.109 0.000 0.822 396 A CB 0.310 19.232 19.000 -0.131 0.000 1.130 396 A HN 1.073 nan 8.150 nan 0.000 0.496 397 A N 2.227 125.039 122.820 -0.013 0.000 2.605 397 A HA 0.626 4.947 4.320 0.001 0.000 0.294 397 A C -1.144 176.432 177.584 -0.012 0.000 1.062 397 A CA -0.903 51.115 52.037 -0.032 0.000 0.682 397 A CB 0.812 19.780 19.000 -0.053 0.000 1.278 397 A HN 0.810 nan 8.150 nan 0.000 0.410 398 N N 1.385 120.071 118.700 -0.022 0.000 2.437 398 N HA 0.443 5.183 4.740 0.001 0.000 0.243 398 N C 0.699 176.171 175.510 -0.063 0.000 1.041 398 N CA -0.431 52.612 53.050 -0.010 0.000 0.940 398 N CB 0.907 39.395 38.487 0.002 0.000 1.133 398 N HN 0.565 nan 8.380 nan 0.000 0.506 399 L N 1.075 122.246 121.223 -0.088 0.000 2.217 399 L HA 0.014 4.354 4.340 0.001 0.000 0.211 399 L C -0.309 176.181 176.870 -0.634 0.000 1.107 399 L CA 0.905 55.552 54.840 -0.322 0.000 0.783 399 L CB -0.125 41.772 42.059 -0.271 0.000 0.919 399 L HN 0.541 nan 8.230 nan 0.000 0.442 400 Y N -0.301 120.011 120.300 0.021 0.000 2.322 400 Y HA 0.598 5.148 4.550 0.000 0.000 0.324 400 Y C -0.296 175.606 175.900 0.003 0.000 1.027 400 Y CA -0.563 57.539 58.100 0.003 0.000 1.179 400 Y CB 1.158 39.616 38.460 -0.002 0.000 1.136 400 Y HN -0.191 nan 8.280 nan 0.000 0.449 401 L N 0.000 121.291 121.223 0.114 0.000 2.949 401 L HA 0.000 4.340 4.340 0.001 0.000 0.249 401 L CA 0.000 54.880 54.840 0.066 0.000 0.813 401 L CB 0.000 42.077 42.059 0.030 0.000 0.961 401 L HN 0.000 nan 8.230 nan 0.000 0.502