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 3h1c_1_X DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAQLLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.303 55.300 0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 L N 0.879 122.107 121.223 0.009 0.000 2.317 2 L HA 0.938 5.279 4.340 0.001 0.000 0.281 2 L C -0.786 176.092 176.870 0.013 0.000 1.024 2 L CA -0.923 53.925 54.840 0.013 0.000 0.810 2 L CB 1.263 43.331 42.059 0.016 0.000 1.240 2 L HN 0.495 nan 8.230 nan 0.000 0.427 3 N N 2.437 121.146 118.700 0.016 0.000 2.314 3 N HA 0.706 5.446 4.740 0.001 0.000 0.294 3 N C -2.652 172.871 175.510 0.022 0.000 1.029 3 N CA -1.420 51.640 53.050 0.017 0.000 0.845 3 N CB 1.881 40.377 38.487 0.015 0.000 1.321 3 N HN 0.653 nan 8.380 nan 0.000 0.481 4 P HA 0.359 nan 4.420 nan 0.000 0.279 4 P C -0.845 176.474 177.300 0.032 0.000 1.252 4 P CA -0.435 62.684 63.100 0.032 0.000 0.811 4 P CB 1.041 32.763 31.700 0.037 0.000 1.035 5 I N 2.144 122.735 120.570 0.035 0.000 2.331 5 I HA 0.264 4.435 4.170 0.001 0.000 0.292 5 I C 0.605 176.746 176.117 0.041 0.000 0.998 5 I CA -0.738 60.583 61.300 0.034 0.000 1.267 5 I CB 0.947 38.965 38.000 0.030 0.000 1.386 5 I HN 0.184 nan 8.210 nan 0.000 0.476 6 V N 4.339 124.278 119.914 0.042 0.000 3.001 6 V HA 0.762 4.883 4.120 0.001 0.000 0.314 6 V C -0.453 175.678 176.094 0.062 0.000 1.099 6 V CA -1.039 61.293 62.300 0.053 0.000 0.989 6 V CB 2.692 34.544 31.823 0.048 0.000 1.040 6 V HN 0.855 nan 8.190 nan 0.000 0.434 7 R N 1.315 121.868 120.500 0.089 0.000 2.510 7 R HA 0.541 4.882 4.340 0.001 0.000 0.287 7 R C -1.304 175.106 176.300 0.183 0.000 1.084 7 R CA -0.594 55.580 56.100 0.123 0.000 0.934 7 R CB 2.013 32.385 30.300 0.120 0.000 1.201 7 R HN 0.935 nan 8.270 nan 0.000 0.431 8 K N 4.756 125.250 120.400 0.155 0.000 2.206 8 K HA 0.414 4.735 4.320 0.001 0.000 0.264 8 K C -1.225 175.500 176.600 0.208 0.000 0.967 8 K CA -0.589 55.765 56.287 0.113 0.000 0.844 8 K CB 1.300 33.826 32.500 0.043 0.000 1.099 8 K HN 0.408 nan 8.250 nan 0.000 0.441 9 F N -0.893 119.074 119.950 0.027 0.000 2.591 9 F HA 0.359 4.887 4.527 0.001 0.000 0.309 9 F C -0.711 175.127 175.800 0.065 0.000 1.098 9 F CA -1.320 56.699 58.000 0.031 0.000 0.937 9 F CB 1.109 40.114 39.000 0.010 0.000 1.250 9 F HN 0.148 nan 8.300 nan 0.000 0.447 10 Q N 2.509 122.406 119.800 0.163 0.000 2.314 10 Q HA 0.171 4.512 4.340 0.001 0.000 0.258 10 Q C -1.642 174.515 176.000 0.262 0.000 0.954 10 Q CA -0.021 55.851 55.803 0.114 0.000 0.890 10 Q CB 1.576 30.370 28.738 0.094 0.000 1.210 10 Q HN 0.827 nan 8.270 nan 0.000 0.410 11 Y N 1.534 121.850 120.300 0.027 0.000 2.445 11 Y HA 0.411 4.962 4.550 0.001 0.000 0.332 11 Y C 0.644 176.584 175.900 0.067 0.000 1.037 11 Y CA 0.248 58.397 58.100 0.081 0.000 1.296 11 Y CB 0.384 38.896 38.460 0.087 0.000 1.099 11 Y HN 0.830 nan 8.280 nan 0.000 0.496 12 G N 4.111 112.839 108.800 -0.120 0.000 2.950 12 G HA2 -0.304 3.656 3.960 0.001 0.000 0.299 12 G HA3 -0.304 3.656 3.960 0.001 0.000 0.299 12 G C 0.686 175.514 174.900 -0.120 0.000 1.310 12 G CA 0.754 45.745 45.100 -0.182 0.000 0.994 12 G HN 0.482 nan 8.290 nan 0.000 0.575 13 Q N 0.957 120.640 119.800 -0.194 0.000 2.245 13 Q HA 0.197 4.538 4.340 0.001 0.000 0.236 13 Q C 0.618 176.382 176.000 -0.394 0.000 0.842 13 Q CA 0.420 56.039 55.803 -0.305 0.000 0.945 13 Q CB 0.730 29.221 28.738 -0.412 0.000 1.122 13 Q HN 0.806 nan 8.270 nan 0.000 0.506 14 H N 0.135 119.174 119.070 -0.051 0.000 2.615 14 H HA 0.444 5.001 4.556 0.001 0.000 0.346 14 H C -0.296 175.009 175.328 -0.037 0.000 1.200 14 H CA -0.214 55.812 56.048 -0.035 0.000 1.264 14 H CB 1.416 31.160 29.762 -0.029 0.000 1.699 14 H HN -0.194 nan 8.280 nan 0.000 0.567 15 T N 1.867 116.466 114.554 0.076 0.000 2.794 15 T HA 0.333 4.684 4.350 0.001 0.000 0.280 15 T C 0.073 174.698 174.700 -0.124 0.000 0.987 15 T CA -0.704 61.369 62.100 -0.045 0.000 0.993 15 T CB 1.155 70.001 68.868 -0.036 0.000 0.939 15 T HN 0.191 nan 8.240 nan 0.000 0.449 16 V N 3.746 123.444 119.914 -0.361 0.000 2.398 16 V HA 0.513 4.633 4.120 0.001 0.000 0.286 16 V C 0.197 176.034 176.094 -0.429 0.000 1.026 16 V CA -0.712 61.314 62.300 -0.458 0.000 0.868 16 V CB 1.611 32.989 31.823 -0.741 0.000 0.982 16 V HN 0.998 nan 8.190 nan 0.000 0.443 17 T N 6.450 120.903 114.554 -0.168 0.000 2.807 17 T HA 0.687 5.037 4.350 0.001 0.000 0.279 17 T C -0.486 174.228 174.700 0.023 0.000 0.993 17 T CA -0.376 61.693 62.100 -0.051 0.000 0.970 17 T CB 1.114 69.971 68.868 -0.017 0.000 0.950 17 T HN 0.380 nan 8.240 nan 0.000 0.441 18 L N 2.916 124.189 121.223 0.083 0.000 2.305 18 L HA 0.589 4.930 4.340 0.001 0.000 0.284 18 L C 0.161 177.081 176.870 0.082 0.000 1.013 18 L CA -0.687 54.213 54.840 0.100 0.000 0.819 18 L CB 1.589 43.734 42.059 0.143 0.000 1.227 18 L HN 0.612 nan 8.230 nan 0.000 0.417 19 E N 2.256 122.504 120.200 0.081 0.000 2.187 19 E HA 0.620 4.971 4.350 0.001 0.000 0.268 19 E C -1.302 175.352 176.600 0.090 0.000 0.896 19 E CA -0.329 56.119 56.400 0.080 0.000 0.766 19 E CB 2.328 32.077 29.700 0.082 0.000 1.142 19 E HN 0.520 nan 8.360 nan 0.000 0.408 20 T N 1.642 116.241 114.554 0.075 0.000 2.853 20 T HA 0.564 4.915 4.350 0.001 0.000 0.311 20 T C 0.006 174.744 174.700 0.064 0.000 1.307 20 T CA 0.438 62.583 62.100 0.074 0.000 1.019 20 T CB 1.272 70.169 68.868 0.049 0.000 1.264 20 T HN 0.807 nan 8.240 nan 0.000 0.497 21 G N 2.091 110.932 108.800 0.068 0.000 2.130 21 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 21 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 21 G C 0.241 175.173 174.900 0.055 0.000 0.999 21 G CA 0.839 45.972 45.100 0.056 0.000 0.686 21 G HN 0.906 nan 8.290 nan 0.000 0.515 22 M N -1.317 118.324 119.600 0.068 0.000 2.463 22 M HA 0.579 5.060 4.480 0.001 0.000 0.201 22 M C 0.791 177.127 176.300 0.061 0.000 1.799 22 M CA 0.076 55.407 55.300 0.052 0.000 1.094 22 M CB 0.598 33.221 32.600 0.038 0.000 1.408 22 M HN 0.115 nan 8.290 nan 0.000 0.581 23 M N 2.033 121.689 119.600 0.093 0.000 2.235 23 M HA 0.409 4.890 4.480 0.001 0.000 0.351 23 M C 0.502 176.931 176.300 0.216 0.000 1.178 23 M CA 0.198 55.562 55.300 0.105 0.000 1.143 23 M CB 1.103 33.704 32.600 0.002 0.000 1.530 23 M HN 0.502 nan 8.290 nan 0.000 0.461 24 A N 2.333 125.261 122.820 0.180 0.000 2.416 24 A HA -0.212 4.109 4.320 0.001 0.000 0.293 24 A C 0.986 178.640 177.584 0.117 0.000 1.452 24 A CA 0.837 52.978 52.037 0.173 0.000 0.738 24 A CB -1.332 17.825 19.000 0.262 0.000 1.123 24 A HN 1.010 nan 8.150 nan 0.000 0.389 25 R N -0.592 119.959 120.500 0.085 0.000 2.193 25 R HA -0.077 4.263 4.340 0.001 0.000 0.213 25 R C 2.136 178.472 176.300 0.059 0.000 1.055 25 R CA 1.319 57.459 56.100 0.066 0.000 0.995 25 R CB -0.011 30.320 30.300 0.052 0.000 0.893 25 R HN 0.871 nan 8.270 nan 0.000 0.459 26 Q N 0.576 120.410 119.800 0.058 0.000 2.311 26 Q HA 0.070 4.411 4.340 0.001 0.000 0.203 26 Q C 0.153 176.187 176.000 0.057 0.000 0.954 26 Q CA 0.378 56.212 55.803 0.051 0.000 0.885 26 Q CB 0.314 29.079 28.738 0.045 0.000 0.963 26 Q HN 0.251 nan 8.270 nan 0.000 0.471 27 A N -0.310 122.547 122.820 0.063 0.000 2.296 27 A HA 0.182 4.503 4.320 0.001 0.000 0.264 27 A C 1.054 178.678 177.584 0.066 0.000 1.097 27 A CA 0.075 52.148 52.037 0.060 0.000 0.811 27 A CB 0.416 19.446 19.000 0.049 0.000 1.072 27 A HN 0.345 nan 8.150 nan 0.000 0.495 28 T N 0.433 115.032 114.554 0.075 0.000 2.708 28 T HA 0.263 4.614 4.350 0.001 0.000 0.266 28 T C 0.759 175.497 174.700 0.063 0.000 1.037 28 T CA 1.737 63.899 62.100 0.104 0.000 1.146 28 T CB -0.246 68.708 68.868 0.142 0.000 0.865 28 T HN 1.395 nan 8.240 nan 0.000 0.435 29 A N -0.169 122.661 122.820 0.016 0.000 2.574 29 A HA 0.791 5.112 4.320 0.001 0.000 0.297 29 A C -1.574 175.976 177.584 -0.058 0.000 1.062 29 A CA -0.464 51.564 52.037 -0.016 0.000 0.686 29 A CB 1.389 20.361 19.000 -0.046 0.000 1.285 29 A HN 0.519 nan 8.150 nan 0.000 0.403 30 A N 1.011 123.799 122.820 -0.052 0.000 2.429 30 A HA 0.692 5.013 4.320 0.001 0.000 0.289 30 A C -1.364 176.177 177.584 -0.072 0.000 1.043 30 A CA -0.402 51.559 52.037 -0.127 0.000 0.722 30 A CB 1.313 20.313 19.000 0.001 0.000 1.243 30 A HN 1.606 nan 8.150 nan 0.000 0.415 31 V N 2.760 122.573 119.914 -0.168 0.000 2.531 31 V HA 0.567 4.688 4.120 0.001 0.000 0.301 31 V C -0.385 175.714 176.094 0.009 0.000 1.034 31 V CA -0.421 61.855 62.300 -0.040 0.000 0.865 31 V CB 1.734 33.529 31.823 -0.046 0.000 0.995 31 V HN 0.984 nan 8.190 nan 0.000 0.424 32 M N 6.633 126.334 119.600 0.168 0.000 2.063 32 M HA 0.574 5.055 4.480 0.001 0.000 0.348 32 M C -1.114 175.260 176.300 0.124 0.000 1.180 32 M CA 0.014 55.455 55.300 0.235 0.000 1.059 32 M CB 1.035 33.804 32.600 0.280 0.000 1.544 32 M HN 0.397 nan 8.290 nan 0.000 0.447 33 V N 4.412 124.385 119.914 0.098 0.000 2.398 33 V HA 0.637 4.758 4.120 0.001 0.000 0.286 33 V C -0.400 175.727 176.094 0.055 0.000 1.026 33 V CA -0.540 61.798 62.300 0.064 0.000 0.868 33 V CB 1.554 33.407 31.823 0.050 0.000 0.982 33 V HN 0.897 nan 8.190 nan 0.000 0.443 34 S N 5.861 121.577 115.700 0.028 0.000 2.707 34 S HA 0.559 5.029 4.470 0.001 0.000 0.312 34 S C -0.486 174.104 174.600 -0.017 0.000 1.116 34 S CA -0.443 57.766 58.200 0.015 0.000 1.078 34 S CB 1.267 64.479 63.200 0.020 0.000 0.997 34 S HN 0.790 nan 8.310 nan 0.000 0.477 35 M N 3.664 123.255 119.600 -0.015 0.000 2.027 35 M HA 0.250 4.731 4.480 0.001 0.000 0.329 35 M C -1.246 175.031 176.300 -0.038 0.000 0.971 35 M CA -0.092 55.189 55.300 -0.032 0.000 0.933 35 M CB -0.057 32.526 32.600 -0.028 0.000 1.392 35 M HN 0.547 nan 8.290 nan 0.000 0.394 36 D N 3.957 124.355 120.400 -0.002 0.000 3.278 36 D HA -0.179 4.462 4.640 0.001 0.000 0.233 36 D C 0.021 176.326 176.300 0.009 0.000 1.149 36 D CA 1.634 55.650 54.000 0.027 0.000 0.957 36 D CB -0.612 40.248 40.800 0.100 0.000 0.913 36 D HN 0.902 nan 8.370 nan 0.000 0.409 37 D N -1.814 118.594 120.400 0.013 0.000 3.006 37 D HA -0.193 4.448 4.640 0.001 0.000 0.208 37 D C -0.047 176.261 176.300 0.013 0.000 1.116 37 D CA 1.871 55.880 54.000 0.015 0.000 0.998 37 D CB -1.208 39.603 40.800 0.018 0.000 1.124 37 D HN 0.463 nan 8.370 nan 0.000 0.413 38 T N 0.451 115.006 114.554 0.002 0.000 2.781 38 T HA 0.660 5.011 4.350 0.001 0.000 0.305 38 T C 0.134 174.846 174.700 0.021 0.000 1.001 38 T CA 0.020 62.123 62.100 0.006 0.000 0.950 38 T CB 1.526 70.386 68.868 -0.012 0.000 0.955 38 T HN 0.292 nan 8.240 nan 0.000 0.471 39 A N 3.422 126.265 122.820 0.037 0.000 2.331 39 A HA 0.774 5.095 4.320 0.001 0.000 0.320 39 A C -0.556 177.075 177.584 0.078 0.000 1.138 39 A CA -0.673 51.399 52.037 0.058 0.000 0.790 39 A CB 1.046 20.083 19.000 0.062 0.000 1.206 39 A HN 0.640 nan 8.150 nan 0.000 0.470 40 V N 2.672 122.645 119.914 0.099 0.000 2.444 40 V HA 0.378 4.499 4.120 0.001 0.000 0.294 40 V C -0.942 175.254 176.094 0.169 0.000 1.022 40 V CA -0.398 61.974 62.300 0.120 0.000 0.850 40 V CB 1.358 33.251 31.823 0.117 0.000 0.992 40 V HN 0.808 nan 8.190 nan 0.000 0.426 41 F N 5.988 125.952 119.950 0.022 0.000 2.404 41 F HA 0.668 5.196 4.527 0.001 0.000 0.358 41 F C -0.218 175.595 175.800 0.021 0.000 1.120 41 F CA -0.397 57.616 58.000 0.022 0.000 1.144 41 F CB 1.120 40.135 39.000 0.024 0.000 1.133 41 F HN 0.265 nan 8.300 nan 0.000 0.495 42 V N 5.108 124.718 119.914 -0.506 0.000 2.495 42 V HA 0.520 4.640 4.120 0.001 0.000 0.298 42 V C -0.330 175.419 176.094 -0.575 0.000 1.031 42 V CA -0.621 61.439 62.300 -0.401 0.000 0.871 42 V CB 1.952 33.667 31.823 -0.180 0.000 0.988 42 V HN 0.852 nan 8.190 nan 0.000 0.432 43 T N 1.548 115.856 114.554 -0.411 0.000 2.863 43 T HA 0.814 5.165 4.350 0.001 0.000 0.285 43 T C -0.897 173.707 174.700 -0.161 0.000 1.009 43 T CA -0.796 61.123 62.100 -0.302 0.000 0.989 43 T CB 1.905 70.633 68.868 -0.233 0.000 1.004 43 T HN 0.291 nan 8.240 nan 0.000 0.455 44 V N 2.697 122.537 119.914 -0.123 0.000 2.483 44 V HA 0.562 4.683 4.120 0.001 0.000 0.297 44 V C -0.613 175.457 176.094 -0.039 0.000 1.027 44 V CA -0.735 61.514 62.300 -0.086 0.000 0.855 44 V CB 1.824 33.578 31.823 -0.116 0.000 0.995 44 V HN 0.914 nan 8.190 nan 0.000 0.424 45 V N 3.980 123.884 119.914 -0.016 0.000 2.409 45 V HA 0.777 4.898 4.120 0.001 0.000 0.291 45 V C 0.593 176.714 176.094 0.044 0.000 1.020 45 V CA -0.337 61.979 62.300 0.027 0.000 0.848 45 V CB 1.802 33.641 31.823 0.027 0.000 0.990 45 V HN 0.926 nan 8.190 nan 0.000 0.430 46 G N 2.710 111.576 108.800 0.111 0.000 2.388 46 G HA2 0.548 4.509 3.960 0.001 0.000 0.330 46 G HA3 0.548 4.509 3.960 0.001 0.000 0.330 46 G C -0.778 174.287 174.900 0.275 0.000 1.142 46 G CA -0.536 44.663 45.100 0.165 0.000 0.908 46 G HN 0.577 nan 8.290 nan 0.000 0.473 47 Q N 0.811 120.743 119.800 0.220 0.000 2.313 47 Q HA 0.200 4.540 4.340 0.001 0.000 0.266 47 Q C 1.474 177.645 176.000 0.286 0.000 0.989 47 Q CA -0.178 55.732 55.803 0.179 0.000 0.890 47 Q CB 0.965 29.744 28.738 0.069 0.000 1.200 47 Q HN 0.432 nan 8.270 nan 0.000 0.396 48 K N 2.631 123.119 120.400 0.147 0.000 2.097 48 K HA -0.104 4.216 4.320 0.001 0.000 0.206 48 K C 0.050 176.654 176.600 0.005 0.000 1.049 48 K CA 1.388 57.680 56.287 0.008 0.000 0.933 48 K CB -0.032 32.436 32.500 -0.054 0.000 0.717 48 K HN 0.689 nan 8.250 nan 0.000 0.442 49 K N -0.941 119.480 120.400 0.036 0.000 2.395 49 K HA 0.602 4.923 4.320 0.001 0.000 0.247 49 K C -1.061 175.548 176.600 0.015 0.000 0.973 49 K CA -0.825 55.480 56.287 0.030 0.000 0.828 49 K CB 2.106 34.609 32.500 0.006 0.000 1.272 49 K HN -0.148 nan 8.250 nan 0.000 0.439 50 A N 1.233 124.057 122.820 0.007 0.000 2.425 50 A HA 0.190 4.510 4.320 0.001 0.000 0.249 50 A C -0.119 177.442 177.584 -0.038 0.000 1.084 50 A CA -0.440 51.575 52.037 -0.037 0.000 0.781 50 A CB 0.442 19.431 19.000 -0.018 0.000 1.019 50 A HN 0.539 nan 8.150 nan 0.000 0.490 51 K N 3.492 123.852 120.400 -0.066 0.000 2.379 51 K HA 0.215 4.536 4.320 0.001 0.000 0.284 51 K C -1.654 174.918 176.600 -0.048 0.000 1.044 51 K CA -0.891 55.359 56.287 -0.061 0.000 0.974 51 K CB 0.366 32.811 32.500 -0.091 0.000 0.962 51 K HN 0.678 nan 8.250 nan 0.000 0.474 52 P HA -0.201 nan 4.420 nan 0.000 0.224 52 P C 0.680 177.970 177.300 -0.017 0.000 1.153 52 P CA 1.955 65.044 63.100 -0.017 0.000 0.947 52 P CB 0.029 31.722 31.700 -0.013 0.000 0.790 53 G N -0.679 108.108 108.800 -0.022 0.000 4.975 53 G HA2 0.208 4.169 3.960 0.001 0.000 0.312 53 G HA3 0.208 4.169 3.960 0.001 0.000 0.312 53 G C -0.356 174.527 174.900 -0.029 0.000 1.425 53 G CA -0.165 44.927 45.100 -0.013 0.000 1.076 53 G HN 0.029 nan 8.290 nan 0.000 0.586 54 Q N 0.683 120.445 119.800 -0.063 0.000 2.337 54 Q HA 0.261 4.602 4.340 0.001 0.000 0.266 54 Q C -0.192 175.757 176.000 -0.086 0.000 1.023 54 Q CA -0.500 55.222 55.803 -0.135 0.000 0.829 54 Q CB 2.718 31.306 28.738 -0.249 0.000 1.306 54 Q HN 0.542 nan 8.270 nan 0.000 0.449 55 D N 0.592 120.963 120.400 -0.049 0.000 2.514 55 D HA -0.006 4.634 4.640 0.001 0.000 0.249 55 D C 0.484 176.842 176.300 0.097 0.000 1.036 55 D CA 0.246 54.277 54.000 0.051 0.000 0.911 55 D CB -0.139 40.728 40.800 0.111 0.000 1.145 55 D HN 0.359 nan 8.370 nan 0.000 0.495 56 F N 0.228 120.197 119.950 0.031 0.000 2.379 56 F HA 0.545 5.073 4.527 0.002 0.000 0.332 56 F C -0.246 175.605 175.800 0.086 0.000 1.096 56 F CA -2.022 56.010 58.000 0.053 0.000 1.105 56 F CB 0.625 39.635 39.000 0.017 0.000 1.189 56 F HN -0.216 nan 8.300 nan 0.000 0.515 57 F N 5.872 125.852 119.950 0.051 0.000 2.471 57 F HA 0.441 4.968 4.527 0.001 0.000 0.365 57 F C -2.421 173.362 175.800 -0.027 0.000 1.095 57 F CA -3.413 54.553 58.000 -0.057 0.000 1.174 57 F CB 0.245 39.248 39.000 0.005 0.000 1.105 57 F HN 0.295 nan 8.300 nan 0.000 0.535 58 P HA 0.244 nan 4.420 nan 0.000 0.274 58 P C -1.264 175.549 177.300 -0.812 0.000 1.504 58 P CA -0.288 62.487 63.100 -0.542 0.000 1.011 58 P CB 1.101 32.550 31.700 -0.420 0.000 1.366 59 L N 3.094 123.882 121.223 -0.725 0.000 2.305 59 L HA 0.673 5.014 4.340 0.001 0.000 0.284 59 L C -0.435 176.295 176.870 -0.233 0.000 1.013 59 L CA -0.031 54.473 54.840 -0.560 0.000 0.819 59 L CB 2.062 43.825 42.059 -0.493 0.000 1.227 59 L HN 0.244 nan 8.230 nan 0.000 0.417 60 T N 4.876 119.329 114.554 -0.170 0.000 2.890 60 T HA 0.589 4.940 4.350 0.001 0.000 0.295 60 T C -1.287 173.382 174.700 -0.053 0.000 0.993 60 T CA -0.407 61.641 62.100 -0.086 0.000 0.979 60 T CB 0.699 69.525 68.868 -0.070 0.000 0.967 60 T HN 0.332 nan 8.240 nan 0.000 0.441 61 V N 6.695 126.595 119.914 -0.024 0.000 2.350 61 V HA 0.495 4.616 4.120 0.001 0.000 0.276 61 V C -0.145 175.964 176.094 0.025 0.000 1.028 61 V CA -0.987 61.314 62.300 0.002 0.000 0.860 61 V CB 1.310 33.141 31.823 0.013 0.000 0.990 61 V HN 0.800 nan 8.190 nan 0.000 0.453 62 N N 4.156 122.874 118.700 0.031 0.000 2.501 62 N HA 0.263 5.004 4.740 0.001 0.000 0.245 62 N C -1.101 174.461 175.510 0.087 0.000 0.974 62 N CA -0.304 52.772 53.050 0.045 0.000 0.941 62 N CB 1.504 39.998 38.487 0.012 0.000 1.122 62 N HN 0.721 nan 8.380 nan 0.000 0.507 63 Y N 1.841 122.129 120.300 -0.020 0.000 2.335 63 Y HA 0.285 4.836 4.550 0.001 0.000 0.339 63 Y C -0.538 175.353 175.900 -0.015 0.000 0.987 63 Y CA -0.357 57.733 58.100 -0.018 0.000 1.140 63 Y CB 0.859 39.307 38.460 -0.019 0.000 1.173 63 Y HN 0.330 nan 8.280 nan 0.000 0.486 64 Q N 4.993 124.475 119.800 -0.531 0.000 2.323 64 Q HA 0.315 4.656 4.340 0.001 0.000 0.271 64 Q C -1.381 174.284 176.000 -0.559 0.000 1.048 64 Q CA -0.896 54.655 55.803 -0.420 0.000 0.792 64 Q CB 2.526 31.149 28.738 -0.192 0.000 1.280 64 Q HN 0.674 nan 8.270 nan 0.000 0.441 65 E N 2.467 122.416 120.200 -0.418 0.000 2.055 65 E HA 0.242 4.592 4.350 0.001 0.000 0.274 65 E C -0.638 175.808 176.600 -0.256 0.000 0.949 65 E CA -0.649 55.554 56.400 -0.328 0.000 0.775 65 E CB 0.987 30.565 29.700 -0.203 0.000 1.097 65 E HN 0.089 nan 8.360 nan 0.000 0.404 66 R N 1.471 121.770 120.500 -0.335 0.000 2.438 66 R HA 0.039 4.379 4.340 0.001 0.000 0.287 66 R C 1.266 177.285 176.300 -0.467 0.000 1.077 66 R CA 0.104 55.923 56.100 -0.467 0.000 1.034 66 R CB 0.656 30.440 30.300 -0.859 0.000 0.993 66 R HN 0.643 nan 8.270 nan 0.000 0.459 67 T N -0.770 113.606 114.554 -0.296 0.000 2.962 67 T HA -0.155 4.196 4.350 0.001 0.000 0.270 67 T C 1.629 176.273 174.700 -0.094 0.000 1.088 67 T CA 1.122 63.139 62.100 -0.139 0.000 1.127 67 T CB -0.347 68.503 68.868 -0.029 0.000 0.883 67 T HN 0.753 nan 8.240 nan 0.000 0.493 68 Y N 0.695 120.991 120.300 -0.007 0.000 2.578 68 Y HA 0.650 5.200 4.550 0.001 0.000 0.297 68 Y C 2.385 178.282 175.900 -0.006 0.000 1.176 68 Y CA -0.465 57.631 58.100 -0.007 0.000 1.315 68 Y CB -0.740 37.714 38.460 -0.010 0.000 1.031 68 Y HN 0.232 nan 8.280 nan 0.000 0.524 69 A N 1.242 123.971 122.820 -0.152 0.000 1.969 69 A HA 0.060 4.381 4.320 0.001 0.000 0.218 69 A C 2.310 179.896 177.584 0.003 0.000 1.169 69 A CA 1.541 53.540 52.037 -0.063 0.000 0.635 69 A CB -0.913 17.999 19.000 -0.147 0.000 0.810 69 A HN 0.616 nan 8.150 nan 0.000 0.445 70 A N -2.147 120.671 122.820 -0.003 0.000 2.169 70 A HA 0.456 4.776 4.320 0.001 0.000 0.210 70 A C 1.508 179.111 177.584 0.032 0.000 1.168 70 A CA 1.077 53.122 52.037 0.014 0.000 0.813 70 A CB -0.437 18.565 19.000 0.003 0.000 0.861 70 A HN 1.914 nan 8.150 nan 0.000 0.481 71 G N -0.458 108.374 108.800 0.053 0.000 2.414 71 G HA2 -0.145 3.816 3.960 0.001 0.000 0.256 71 G HA3 -0.145 3.816 3.960 0.001 0.000 0.256 71 G C -0.245 174.684 174.900 0.047 0.000 1.128 71 G CA 0.054 45.191 45.100 0.061 0.000 0.944 71 G HN 0.593 nan 8.290 nan 0.000 0.500 72 R N -1.019 119.511 120.500 0.051 0.000 2.651 72 R HA 0.587 4.928 4.340 0.001 0.000 0.278 72 R C 0.173 176.500 176.300 0.045 0.000 1.010 72 R CA -0.976 55.146 56.100 0.037 0.000 0.896 72 R CB 1.622 31.936 30.300 0.024 0.000 1.211 72 R HN 0.233 nan 8.270 nan 0.000 0.456 73 I N 4.481 125.073 120.570 0.036 0.000 2.416 73 I HA 0.204 4.375 4.170 0.001 0.000 0.288 73 I C -1.556 174.580 176.117 0.031 0.000 1.051 73 I CA -1.752 59.570 61.300 0.037 0.000 1.375 73 I CB 0.686 38.700 38.000 0.023 0.000 1.407 73 I HN 0.310 nan 8.210 nan 0.000 0.516 74 P HA 0.018 nan 4.420 nan 0.000 0.266 74 P C 0.462 177.785 177.300 0.038 0.000 1.195 74 P CA -0.187 62.934 63.100 0.036 0.000 0.768 74 P CB 0.579 32.306 31.700 0.045 0.000 0.838 75 G N 0.914 109.739 108.800 0.042 0.000 3.562 75 G HA2 0.228 4.188 3.960 0.001 0.000 0.279 75 G HA3 0.228 4.188 3.960 0.001 0.000 0.279 75 G C 0.398 175.341 174.900 0.071 0.000 1.314 75 G CA -0.222 44.906 45.100 0.046 0.000 1.189 75 G HN 0.619 nan 8.290 nan 0.000 0.562 76 S N -1.284 114.469 115.700 0.089 0.000 2.722 76 S HA 0.518 4.988 4.470 0.001 0.000 0.292 76 S C 0.769 175.472 174.600 0.171 0.000 1.135 76 S CA -0.785 57.503 58.200 0.148 0.000 1.003 76 S CB 1.476 64.773 63.200 0.162 0.000 1.067 76 S HN 0.062 nan 8.310 nan 0.000 0.546 77 F N 0.179 120.184 119.950 0.093 0.000 2.186 77 F HA 0.141 4.669 4.527 0.001 0.000 0.299 77 F C 1.334 177.113 175.800 -0.034 0.000 1.090 77 F CA 1.072 59.087 58.000 0.026 0.000 1.307 77 F CB -0.219 38.796 39.000 0.026 0.000 1.019 77 F HN 0.629 nan 8.300 nan 0.000 0.489 78 F N 0.391 120.429 119.950 0.147 0.000 2.789 78 F HA 0.160 4.687 4.527 0.001 0.000 0.300 78 F C 0.730 176.534 175.800 0.006 0.000 1.132 78 F CA 0.208 58.247 58.000 0.065 0.000 1.404 78 F CB -0.006 39.054 39.000 0.100 0.000 1.114 78 F HN -0.244 nan 8.300 nan 0.000 0.584 79 R N 1.069 121.656 120.500 0.144 0.000 3.422 79 R HA -0.219 4.122 4.340 0.001 0.000 0.267 79 R C -0.249 176.114 176.300 0.105 0.000 1.074 79 R CA 0.405 56.553 56.100 0.081 0.000 0.718 79 R CB -2.165 28.144 30.300 0.014 0.000 1.157 79 R HN 0.386 nan 8.270 nan 0.000 0.440 80 R N 0.167 120.745 120.500 0.130 0.000 2.707 80 R HA 0.223 4.564 4.340 0.001 0.000 0.272 80 R C -0.958 175.382 176.300 0.066 0.000 1.011 80 R CA -0.831 55.328 56.100 0.099 0.000 0.893 80 R CB 1.503 31.869 30.300 0.110 0.000 1.233 80 R HN -0.009 nan 8.270 nan 0.000 0.464 81 E N 0.653 120.875 120.200 0.038 0.000 2.220 81 E HA 0.186 4.537 4.350 0.001 0.000 0.272 81 E C 0.259 176.857 176.600 -0.002 0.000 1.099 81 E CA 0.232 56.638 56.400 0.010 0.000 0.907 81 E CB 1.360 31.052 29.700 -0.013 0.000 1.022 81 E HN 0.695 nan 8.360 nan 0.000 0.428 82 G N 2.250 111.048 108.800 -0.004 0.000 3.387 82 G HA2 0.088 4.049 3.960 0.001 0.000 0.195 82 G HA3 0.088 4.049 3.960 0.001 0.000 0.195 82 G C -0.308 174.581 174.900 -0.019 0.000 1.853 82 G CA -0.505 44.581 45.100 -0.024 0.000 0.879 82 G HN 0.464 nan 8.290 nan 0.000 0.651 83 R N 0.694 121.186 120.500 -0.013 0.000 2.543 83 R HA 0.472 4.812 4.340 0.001 0.000 0.277 83 R C -2.621 173.682 176.300 0.005 0.000 1.074 83 R CA -1.164 54.933 56.100 -0.004 0.000 1.076 83 R CB -0.632 29.668 30.300 0.000 0.000 0.993 83 R HN 0.389 nan 8.270 nan 0.000 0.459 84 P HA 0.140 nan 4.420 nan 0.000 0.268 84 P C -0.138 177.181 177.300 0.032 0.000 1.204 84 P CA -0.122 62.990 63.100 0.019 0.000 0.768 84 P CB 0.594 32.311 31.700 0.029 0.000 0.842 85 S N 0.833 116.556 115.700 0.038 0.000 2.641 85 S HA 0.072 4.543 4.470 0.001 0.000 0.261 85 S C 1.313 175.945 174.600 0.054 0.000 1.257 85 S CA -0.424 57.803 58.200 0.046 0.000 0.983 85 S CB 0.543 63.770 63.200 0.045 0.000 0.990 85 S HN 0.597 nan 8.310 nan 0.000 0.572 86 E N 0.541 120.774 120.200 0.055 0.000 2.110 86 E HA -0.089 4.262 4.350 0.001 0.000 0.193 86 E C 1.941 178.567 176.600 0.044 0.000 0.988 86 E CA 1.177 57.609 56.400 0.054 0.000 0.804 86 E CB -0.965 28.772 29.700 0.061 0.000 0.745 86 E HN 0.850 nan 8.360 nan 0.000 0.458 87 G N 0.635 109.465 108.800 0.051 0.000 2.394 87 G HA2 -0.246 3.714 3.960 0.001 0.000 0.214 87 G HA3 -0.246 3.714 3.960 0.001 0.000 0.214 87 G C 1.275 176.222 174.900 0.078 0.000 1.176 87 G CA 0.631 45.761 45.100 0.051 0.000 0.786 87 G HN 0.281 nan 8.290 nan 0.000 0.533 88 E N 0.083 120.360 120.200 0.129 0.000 2.160 88 E HA -0.110 4.241 4.350 0.001 0.000 0.195 88 E C 2.650 179.369 176.600 0.199 0.000 0.991 88 E CA 1.448 57.996 56.400 0.247 0.000 0.810 88 E CB -0.141 29.656 29.700 0.162 0.000 0.742 88 E HN 0.385 nan 8.360 nan 0.000 0.466 89 T N 1.043 115.651 114.554 0.091 0.000 2.904 89 T HA -0.037 4.314 4.350 0.001 0.000 0.267 89 T C 1.934 176.631 174.700 -0.005 0.000 1.059 89 T CA 0.533 62.660 62.100 0.046 0.000 1.137 89 T CB -0.027 68.858 68.868 0.028 0.000 0.879 89 T HN 0.074 nan 8.240 nan 0.000 0.467 90 L N 0.005 121.214 121.223 -0.023 0.000 2.072 90 L HA 0.034 4.375 4.340 0.001 0.000 0.205 90 L C 2.267 179.065 176.870 -0.120 0.000 1.079 90 L CA 0.952 55.750 54.840 -0.071 0.000 0.752 90 L CB -0.470 41.552 42.059 -0.061 0.000 0.906 90 L HN 0.188 nan 8.230 nan 0.000 0.436 91 I N 0.021 120.481 120.570 -0.184 0.000 2.315 91 I HA -0.236 3.935 4.170 0.001 0.000 0.248 91 I C 2.694 178.613 176.117 -0.331 0.000 1.117 91 I CA 1.301 62.374 61.300 -0.378 0.000 1.404 91 I CB -0.572 36.929 38.000 -0.831 0.000 1.071 91 I HN 0.139 nan 8.210 nan 0.000 0.419 92 A N 0.323 123.035 122.820 -0.179 0.000 1.933 92 A HA -0.178 4.143 4.320 0.001 0.000 0.218 92 A C 2.406 179.957 177.584 -0.055 0.000 1.175 92 A CA 1.394 53.404 52.037 -0.046 0.000 0.628 92 A CB -0.415 18.617 19.000 0.054 0.000 0.814 92 A HN 0.240 nan 8.150 nan 0.000 0.444 93 R N -0.582 119.874 120.500 -0.073 0.000 2.115 93 R HA 0.068 4.409 4.340 0.001 0.000 0.226 93 R C 1.900 178.154 176.300 -0.076 0.000 1.100 93 R CA 0.873 56.928 56.100 -0.075 0.000 0.980 93 R CB -0.588 29.650 30.300 -0.103 0.000 0.875 93 R HN 0.578 nan 8.270 nan 0.000 0.445 94 L N 0.088 121.251 121.223 -0.099 0.000 2.291 94 L HA -0.062 4.279 4.340 0.001 0.000 0.214 94 L C 2.106 178.937 176.870 -0.065 0.000 1.120 94 L CA 0.870 55.657 54.840 -0.089 0.000 0.799 94 L CB -0.182 41.808 42.059 -0.116 0.000 0.925 94 L HN 0.095 nan 8.230 nan 0.000 0.446 95 I N -0.687 119.841 120.570 -0.070 0.000 2.628 95 I HA -0.164 4.007 4.170 0.001 0.000 0.255 95 I C 2.039 178.165 176.117 0.015 0.000 1.119 95 I CA 0.827 62.107 61.300 -0.033 0.000 1.448 95 I CB -0.037 37.936 38.000 -0.045 0.000 1.133 95 I HN 0.137 nan 8.210 nan 0.000 0.438 96 D N 0.890 121.298 120.400 0.013 0.000 2.149 96 D HA -0.189 4.452 4.640 0.001 0.000 0.201 96 D C 2.289 178.635 176.300 0.076 0.000 0.972 96 D CA 1.163 55.193 54.000 0.050 0.000 0.835 96 D CB 0.149 40.962 40.800 0.023 0.000 0.966 96 D HN 0.000 nan 8.370 nan 0.000 0.476 97 R N -0.264 120.260 120.500 0.040 0.000 2.075 97 R HA -0.015 4.325 4.340 0.001 0.000 0.232 97 R C -0.740 175.599 176.300 0.066 0.000 1.126 97 R CA 1.504 57.630 56.100 0.043 0.000 0.963 97 R CB -0.617 29.685 30.300 0.003 0.000 0.858 97 R HN 0.312 nan 8.270 nan 0.000 0.435 98 P HA -0.076 nan 4.420 nan 0.000 0.227 98 P C 1.196 178.556 177.300 0.101 0.000 1.161 98 P CA 1.105 64.243 63.100 0.062 0.000 0.788 98 P CB -0.093 31.635 31.700 0.047 0.000 0.822 99 I N -3.370 117.303 120.570 0.172 0.000 3.030 99 I HA 0.147 4.318 4.170 0.001 0.000 0.270 99 I C 2.621 178.987 176.117 0.414 0.000 1.211 99 I CA 0.334 61.821 61.300 0.311 0.000 1.479 99 I CB -0.488 37.706 38.000 0.324 0.000 1.105 99 I HN -0.273 nan 8.210 nan 0.000 0.447 100 R N 1.838 122.553 120.500 0.360 0.000 2.066 100 R HA -0.032 4.309 4.340 0.001 0.000 0.232 100 R C -0.426 176.072 176.300 0.330 0.000 1.131 100 R CA 1.772 58.140 56.100 0.446 0.000 0.955 100 R CB -1.096 29.385 30.300 0.302 0.000 0.851 100 R HN 0.334 nan 8.270 nan 0.000 0.432 101 P HA -0.070 nan 4.420 nan 0.000 0.223 101 P C 0.843 178.125 177.300 -0.029 0.000 1.151 101 P CA 0.964 64.104 63.100 0.067 0.000 0.787 101 P CB 0.046 31.765 31.700 0.032 0.000 0.788 102 L N -2.578 118.574 121.223 -0.119 0.000 2.291 102 L HA -0.006 4.335 4.340 0.001 0.000 0.214 102 L C 0.788 177.390 176.870 -0.446 0.000 1.120 102 L CA 0.194 54.801 54.840 -0.389 0.000 0.799 102 L CB -0.646 40.946 42.059 -0.779 0.000 0.925 102 L HN -0.093 nan 8.230 nan 0.000 0.446 103 F N 1.839 121.631 119.950 -0.262 0.000 2.543 103 F HA 0.124 4.651 4.527 0.001 0.000 0.375 103 F C -1.367 174.205 175.800 -0.381 0.000 1.075 103 F CA -2.220 55.509 58.000 -0.451 0.000 1.225 103 F CB -0.281 38.265 39.000 -0.757 0.000 1.099 103 F HN -0.116 nan 8.300 nan 0.000 0.561 104 P HA -0.054 nan 4.420 nan 0.000 0.269 104 P C -0.617 176.721 177.300 0.063 0.000 1.215 104 P CA -0.337 62.741 63.100 -0.037 0.000 0.780 104 P CB 0.588 32.319 31.700 0.053 0.000 0.898 105 E N 0.772 121.045 120.200 0.121 0.000 2.265 105 E HA 0.290 4.640 4.350 0.001 0.000 0.272 105 E C 0.846 177.600 176.600 0.258 0.000 1.067 105 E CA 0.389 56.880 56.400 0.151 0.000 0.900 105 E CB -0.733 29.040 29.700 0.120 0.000 1.017 105 E HN 0.776 nan 8.360 nan 0.000 0.431 106 G N 4.246 113.210 108.800 0.273 0.000 2.229 106 G HA2 -0.249 3.712 3.960 0.001 0.000 0.189 106 G HA3 -0.249 3.712 3.960 0.001 0.000 0.189 106 G C -0.266 174.942 174.900 0.513 0.000 1.000 106 G CA -0.315 45.001 45.100 0.361 0.000 0.663 106 G HN 0.542 nan 8.290 nan 0.000 0.493 107 F N 2.356 122.410 119.950 0.173 0.000 2.421 107 F HA 0.535 5.063 4.527 0.001 0.000 0.358 107 F C 1.134 176.951 175.800 0.028 0.000 1.115 107 F CA 0.074 58.026 58.000 -0.081 0.000 1.160 107 F CB 1.491 40.147 39.000 -0.575 0.000 1.123 107 F HN -0.039 nan 8.300 nan 0.000 0.508 108 V N 3.450 123.210 119.914 -0.257 0.000 3.432 108 V HA 0.136 4.257 4.120 0.001 0.000 0.298 108 V C 0.248 176.192 176.094 -0.252 0.000 1.464 108 V CA -0.463 61.775 62.300 -0.103 0.000 1.046 108 V CB -0.825 30.957 31.823 -0.068 0.000 0.887 108 V HN 0.589 nan 8.190 nan 0.000 0.441 109 N N 2.416 120.741 118.700 -0.624 0.000 2.492 109 N HA 0.132 4.873 4.740 0.001 0.000 0.262 109 N C 0.158 175.572 175.510 -0.160 0.000 1.202 109 N CA 0.312 53.115 53.050 -0.412 0.000 0.926 109 N CB 0.854 39.032 38.487 -0.514 0.000 1.078 109 N HN 0.564 nan 8.380 nan 0.000 0.454 110 E N 0.718 120.836 120.200 -0.136 0.000 2.418 110 E HA 0.251 4.602 4.350 0.001 0.000 0.261 110 E C -0.825 175.723 176.600 -0.086 0.000 1.070 110 E CA -0.268 56.035 56.400 -0.162 0.000 0.931 110 E CB 0.484 30.109 29.700 -0.125 0.000 0.954 110 E HN 0.355 nan 8.360 nan 0.000 0.439 111 V N 1.052 120.866 119.914 -0.167 0.000 2.839 111 V HA 0.263 4.384 4.120 0.001 0.000 0.284 111 V C -1.186 174.824 176.094 -0.140 0.000 1.397 111 V CA -1.074 61.163 62.300 -0.105 0.000 0.938 111 V CB 0.833 32.623 31.823 -0.054 0.000 1.112 111 V HN 0.786 nan 8.190 nan 0.000 0.443 112 Q N 3.092 122.842 119.800 -0.082 0.000 2.345 112 Q HA 0.912 5.253 4.340 0.001 0.000 0.268 112 Q C -1.754 174.215 176.000 -0.052 0.000 1.054 112 Q CA -1.077 54.682 55.803 -0.072 0.000 0.835 112 Q CB 2.947 31.650 28.738 -0.058 0.000 1.339 112 Q HN 0.704 nan 8.270 nan 0.000 0.447 113 V N 3.769 123.657 119.914 -0.043 0.000 2.326 113 V HA 0.343 4.464 4.120 0.001 0.000 0.281 113 V C -0.682 175.394 176.094 -0.029 0.000 1.015 113 V CA -0.637 61.637 62.300 -0.044 0.000 0.823 113 V CB 0.902 32.702 31.823 -0.038 0.000 1.009 113 V HN 0.696 nan 8.190 nan 0.000 0.436 114 I N 4.379 124.922 120.570 -0.044 0.000 2.301 114 I HA 0.571 4.742 4.170 0.001 0.000 0.292 114 I C 0.702 176.796 176.117 -0.037 0.000 1.046 114 I CA 0.190 61.473 61.300 -0.028 0.000 1.282 114 I CB 1.386 39.372 38.000 -0.024 0.000 1.409 114 I HN 0.640 nan 8.210 nan 0.000 0.484 115 A N 4.524 127.354 122.820 0.017 0.000 2.394 115 A HA 0.575 4.896 4.320 0.001 0.000 0.333 115 A C 0.075 177.640 177.584 -0.030 0.000 1.397 115 A CA -0.473 51.593 52.037 0.048 0.000 0.884 115 A CB 0.411 19.538 19.000 0.211 0.000 1.147 115 A HN 0.575 nan 8.150 nan 0.000 0.505 116 T N 2.169 116.714 114.554 -0.014 0.000 2.767 116 T HA 0.468 4.819 4.350 0.001 0.000 0.284 116 T C -0.353 174.331 174.700 -0.027 0.000 0.973 116 T CA -0.252 61.815 62.100 -0.055 0.000 0.996 116 T CB 0.311 69.203 68.868 0.040 0.000 0.927 116 T HN 0.402 nan 8.240 nan 0.000 0.456 117 V N 7.419 127.244 119.914 -0.149 0.000 2.427 117 V HA 0.166 4.287 4.120 0.001 0.000 0.268 117 V C 1.460 177.487 176.094 -0.112 0.000 1.046 117 V CA -0.094 62.151 62.300 -0.093 0.000 0.970 117 V CB 0.795 32.540 31.823 -0.130 0.000 1.001 117 V HN 0.899 nan 8.190 nan 0.000 0.476 118 V N 1.583 121.494 119.914 -0.004 0.000 3.263 118 V HA 0.355 4.476 4.120 0.001 0.000 0.248 118 V C 0.724 176.858 176.094 0.067 0.000 1.145 118 V CA 0.552 62.888 62.300 0.058 0.000 1.107 118 V CB 0.643 32.554 31.823 0.146 0.000 0.797 118 V HN 0.670 nan 8.190 nan 0.000 0.467 119 S N -0.983 114.738 115.700 0.035 0.000 2.536 119 S HA 0.754 5.225 4.470 0.001 0.000 0.271 119 S C -1.513 173.098 174.600 0.017 0.000 1.134 119 S CA -0.202 58.020 58.200 0.037 0.000 0.897 119 S CB 2.111 65.342 63.200 0.050 0.000 1.094 119 S HN 0.611 nan 8.310 nan 0.000 0.473 120 V N 3.951 123.872 119.914 0.012 0.000 2.808 120 V HA 0.640 4.761 4.120 0.001 0.000 0.308 120 V C -1.280 174.820 176.094 0.009 0.000 1.099 120 V CA -0.747 61.557 62.300 0.008 0.000 0.920 120 V CB 2.238 34.061 31.823 0.001 0.000 1.014 120 V HN 0.945 nan 8.190 nan 0.000 0.425 121 N N 5.847 124.549 118.700 0.004 0.000 2.421 121 N HA 0.587 5.327 4.740 0.001 0.000 0.285 121 N C -2.137 173.375 175.510 0.004 0.000 1.027 121 N CA -2.085 50.968 53.050 0.005 0.000 0.918 121 N CB 2.337 40.824 38.487 0.001 0.000 1.152 121 N HN 0.347 nan 8.380 nan 0.000 0.485 122 P HA -0.052 nan 4.420 nan 0.000 0.234 122 P C 0.043 177.350 177.300 0.012 0.000 1.162 122 P CA 1.179 64.286 63.100 0.011 0.000 0.759 122 P CB 0.278 31.986 31.700 0.014 0.000 0.813 123 Q N -1.952 117.853 119.800 0.009 0.000 2.422 123 Q HA 0.126 4.467 4.340 0.001 0.000 0.255 123 Q C 0.103 176.096 176.000 -0.012 0.000 0.864 123 Q CA 0.244 56.054 55.803 0.012 0.000 0.968 123 Q CB 0.688 29.447 28.738 0.034 0.000 1.130 123 Q HN 0.029 nan 8.270 nan 0.000 0.556 124 V N 2.097 121.984 119.914 -0.045 0.000 2.394 124 V HA 0.343 4.464 4.120 0.001 0.000 0.282 124 V C 0.099 176.162 176.094 -0.053 0.000 1.031 124 V CA -0.472 61.766 62.300 -0.104 0.000 0.881 124 V CB 0.641 32.345 31.823 -0.199 0.000 0.982 124 V HN 0.322 nan 8.190 nan 0.000 0.451 125 N N 5.341 124.015 118.700 -0.043 0.000 2.497 125 N HA 0.358 5.099 4.740 0.001 0.000 0.271 125 N C -1.768 173.743 175.510 0.001 0.000 1.142 125 N CA -1.366 51.678 53.050 -0.010 0.000 0.965 125 N CB 0.515 38.999 38.487 -0.005 0.000 1.077 125 N HN 0.627 nan 8.380 nan 0.000 0.462 126 P HA 0.030 nan 4.420 nan 0.000 0.245 126 P C 0.286 177.620 177.300 0.057 0.000 1.212 126 P CA 0.406 63.546 63.100 0.066 0.000 0.774 126 P CB 0.309 32.083 31.700 0.123 0.000 0.999 127 D N 0.199 120.597 120.400 -0.004 0.000 2.149 127 D HA -0.130 4.511 4.640 0.001 0.000 0.201 127 D C 1.676 177.943 176.300 -0.055 0.000 0.972 127 D CA 1.016 54.962 54.000 -0.090 0.000 0.835 127 D CB -1.117 39.617 40.800 -0.108 0.000 0.966 127 D HN 0.211 nan 8.370 nan 0.000 0.476 128 I N 0.301 120.867 120.570 -0.006 0.000 3.059 128 I HA -0.097 4.074 4.170 0.001 0.000 0.270 128 I C 2.079 178.217 176.117 0.035 0.000 1.238 128 I CA 0.110 61.425 61.300 0.025 0.000 1.478 128 I CB 0.290 38.332 38.000 0.070 0.000 1.097 128 I HN -0.106 nan 8.210 nan 0.000 0.455 129 V N 1.038 120.973 119.914 0.033 0.000 2.379 129 V HA -0.185 3.936 4.120 0.001 0.000 0.245 129 V C 2.670 178.790 176.094 0.044 0.000 1.044 129 V CA 1.889 64.214 62.300 0.041 0.000 1.036 129 V CB -0.889 30.959 31.823 0.042 0.000 0.664 129 V HN 0.468 nan 8.190 nan 0.000 0.453 130 A N -0.941 121.911 122.820 0.052 0.000 2.014 130 A HA -0.105 4.216 4.320 0.001 0.000 0.218 130 A C 2.207 179.796 177.584 0.010 0.000 1.163 130 A CA 1.675 53.748 52.037 0.060 0.000 0.652 130 A CB -0.440 18.642 19.000 0.136 0.000 0.808 130 A HN 0.484 nan 8.150 nan 0.000 0.449 131 M N -0.666 118.928 119.600 -0.009 0.000 2.175 131 M HA -0.021 4.460 4.480 0.001 0.000 0.264 131 M C 1.742 178.039 176.300 -0.005 0.000 1.063 131 M CA 1.525 56.817 55.300 -0.014 0.000 1.119 131 M CB -0.216 32.376 32.600 -0.013 0.000 1.377 131 M HN 0.434 nan 8.290 nan 0.000 0.415 132 I N -0.802 119.770 120.570 0.003 0.000 2.439 132 I HA -0.124 4.047 4.170 0.001 0.000 0.251 132 I C 2.414 178.527 176.117 -0.007 0.000 1.139 132 I CA 1.020 62.320 61.300 0.001 0.000 1.438 132 I CB -0.844 37.167 38.000 0.018 0.000 1.085 132 I HN 0.384 nan 8.210 nan 0.000 0.427 133 G N 0.807 109.604 108.800 -0.006 0.000 2.446 133 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 133 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 133 G C 1.837 176.696 174.900 -0.069 0.000 1.168 133 G CA 0.883 45.967 45.100 -0.028 0.000 0.771 133 G HN 0.484 nan 8.290 nan 0.000 0.551 134 A N 0.163 122.944 122.820 -0.065 0.000 1.968 134 A HA 0.126 4.446 4.320 0.001 0.000 0.217 134 A C 2.573 180.064 177.584 -0.155 0.000 1.169 134 A CA 2.008 53.981 52.037 -0.105 0.000 0.638 134 A CB -0.556 18.404 19.000 -0.068 0.000 0.812 134 A HN 0.398 nan 8.150 nan 0.000 0.446 135 S N -0.499 115.151 115.700 -0.084 0.000 2.402 135 S HA 0.038 4.509 4.470 0.001 0.000 0.229 135 S C 2.036 176.589 174.600 -0.078 0.000 1.021 135 S CA 1.404 59.575 58.200 -0.049 0.000 0.974 135 S CB -0.302 62.904 63.200 0.011 0.000 0.800 135 S HN 0.731 nan 8.310 nan 0.000 0.484 136 A N 0.652 123.425 122.820 -0.079 0.000 1.975 136 A HA 0.503 4.824 4.320 0.001 0.000 0.215 136 A C 2.320 179.839 177.584 -0.109 0.000 1.170 136 A CA 1.218 53.212 52.037 -0.070 0.000 0.656 136 A CB -0.974 18.005 19.000 -0.034 0.000 0.821 136 A HN 0.632 nan 8.150 nan 0.000 0.449 137 A N -0.188 122.544 122.820 -0.147 0.000 1.897 137 A HA 0.091 4.411 4.320 0.001 0.000 0.215 137 A C 2.063 179.511 177.584 -0.227 0.000 1.181 137 A CA 1.227 53.165 52.037 -0.165 0.000 0.620 137 A CB -0.504 18.392 19.000 -0.173 0.000 0.821 137 A HN 0.423 nan 8.150 nan 0.000 0.443 138 L N -0.867 120.132 121.223 -0.373 0.000 2.217 138 L HA -0.074 4.267 4.340 0.001 0.000 0.211 138 L C 2.748 179.329 176.870 -0.481 0.000 1.107 138 L CA 1.263 55.743 54.840 -0.600 0.000 0.783 138 L CB -0.167 41.136 42.059 -1.261 0.000 0.919 138 L HN 0.439 nan 8.230 nan 0.000 0.442 139 S N -0.428 115.102 115.700 -0.283 0.000 2.436 139 S HA 0.042 4.513 4.470 0.001 0.000 0.228 139 S C 1.791 176.350 174.600 -0.070 0.000 1.014 139 S CA 0.588 58.744 58.200 -0.073 0.000 0.950 139 S CB 0.073 63.276 63.200 0.006 0.000 0.784 139 S HN 0.317 nan 8.310 nan 0.000 0.504 140 L N 1.349 122.521 121.223 -0.086 0.000 2.477 140 L HA 0.103 4.444 4.340 0.001 0.000 0.220 140 L C 2.459 179.311 176.870 -0.030 0.000 1.106 140 L CA 0.755 55.569 54.840 -0.043 0.000 0.851 140 L CB -0.210 41.829 42.059 -0.034 0.000 0.994 140 L HN 0.393 nan 8.230 nan 0.000 0.462 141 S N -0.620 115.034 115.700 -0.078 0.000 2.402 141 S HA -0.017 4.454 4.470 0.001 0.000 0.229 141 S C 1.760 176.356 174.600 -0.007 0.000 1.021 141 S CA 0.882 59.051 58.200 -0.052 0.000 0.974 141 S CB -0.020 63.095 63.200 -0.141 0.000 0.800 141 S HN 0.493 nan 8.310 nan 0.000 0.484 142 G N 1.021 109.773 108.800 -0.080 0.000 2.213 142 G HA2 -0.222 3.739 3.960 0.001 0.000 0.236 142 G HA3 -0.222 3.739 3.960 0.001 0.000 0.236 142 G C 0.079 174.762 174.900 -0.361 0.000 0.991 142 G CA -0.029 45.063 45.100 -0.013 0.000 0.629 142 G HN 0.587 nan 8.290 nan 0.000 0.517 143 I N 2.946 123.056 120.570 -0.766 0.000 2.668 143 I HA 0.192 4.363 4.170 0.001 0.000 0.285 143 I C -1.586 174.184 176.117 -0.579 0.000 1.168 143 I CA -1.561 59.117 61.300 -1.036 0.000 1.424 143 I CB 0.523 38.001 38.000 -0.870 0.000 1.377 143 I HN -0.117 nan 8.210 nan 0.000 0.560 144 P HA -0.113 nan 4.420 nan 0.000 0.245 144 P C -0.918 176.070 177.300 -0.520 0.000 1.123 144 P CA 0.822 63.625 63.100 -0.495 0.000 0.853 144 P CB -0.267 30.988 31.700 -0.742 0.000 0.786 145 F N 3.594 123.208 119.950 -0.561 0.000 2.689 145 F HA 0.295 4.823 4.527 0.001 0.000 0.332 145 F C -0.100 175.455 175.800 -0.408 0.000 1.209 145 F CA -0.782 56.826 58.000 -0.653 0.000 1.028 145 F CB 1.230 39.828 39.000 -0.670 0.000 1.291 145 F HN 0.003 nan 8.300 nan 0.000 0.500 146 N N 4.258 122.450 118.700 -0.847 0.000 2.843 146 N HA 0.189 4.930 4.740 0.001 0.000 0.284 146 N C 0.459 175.556 175.510 -0.687 0.000 1.274 146 N CA 0.266 52.961 53.050 -0.592 0.000 1.045 146 N CB 0.621 38.856 38.487 -0.420 0.000 1.370 146 N HN 0.798 nan 8.380 nan 0.000 0.525 147 G N 0.759 109.083 108.800 -0.794 0.000 2.782 147 G HA2 0.475 4.436 3.960 0.001 0.000 0.201 147 G HA3 0.475 4.436 3.960 0.001 0.000 0.201 147 G C -2.337 172.463 174.900 -0.168 0.000 1.374 147 G CA -0.547 44.266 45.100 -0.479 0.000 1.039 147 G HN 0.095 nan 8.290 nan 0.000 0.576 148 P HA 0.463 nan 4.420 nan 0.000 0.280 148 P C -0.528 176.751 177.300 -0.036 0.000 1.272 148 P CA -0.497 62.624 63.100 0.035 0.000 0.819 148 P CB 1.385 33.097 31.700 0.019 0.000 1.122 149 I N -2.904 117.676 120.570 0.016 0.000 2.607 149 I HA 0.815 4.986 4.170 0.001 0.000 0.305 149 I C 0.210 176.303 176.117 -0.039 0.000 0.995 149 I CA -1.042 60.246 61.300 -0.019 0.000 1.148 149 I CB 1.851 39.862 38.000 0.017 0.000 1.323 149 I HN 0.291 nan 8.210 nan 0.000 0.461 150 G N 2.363 111.125 108.800 -0.062 0.000 2.434 150 G HA2 0.734 4.695 3.960 0.001 0.000 0.330 150 G HA3 0.734 4.695 3.960 0.001 0.000 0.330 150 G C -1.238 173.645 174.900 -0.028 0.000 1.155 150 G CA -0.823 44.227 45.100 -0.083 0.000 0.917 150 G HN 1.008 nan 8.290 nan 0.000 0.493 151 A N -0.145 122.666 122.820 -0.016 0.000 2.343 151 A HA 0.894 5.215 4.320 0.001 0.000 0.308 151 A C -0.146 177.521 177.584 0.138 0.000 1.092 151 A CA -0.111 51.954 52.037 0.047 0.000 0.751 151 A CB 1.407 20.431 19.000 0.039 0.000 1.203 151 A HN 1.968 nan 8.150 nan 0.000 0.452 152 A N 2.303 125.207 122.820 0.140 0.000 2.515 152 A HA 0.840 5.161 4.320 0.001 0.000 0.298 152 A C -0.487 177.177 177.584 0.133 0.000 1.059 152 A CA -0.638 51.511 52.037 0.186 0.000 0.698 152 A CB 1.319 20.414 19.000 0.158 0.000 1.289 152 A HN 0.866 nan 8.150 nan 0.000 0.404 153 R N 1.481 122.058 120.500 0.128 0.000 2.437 153 R HA 0.635 4.976 4.340 0.001 0.000 0.310 153 R C -1.669 174.727 176.300 0.160 0.000 0.955 153 R CA -0.318 55.851 56.100 0.114 0.000 0.851 153 R CB 1.531 31.880 30.300 0.081 0.000 1.161 153 R HN 0.522 nan 8.270 nan 0.000 0.446 154 V N 3.130 123.152 119.914 0.180 0.000 2.459 154 V HA 0.657 4.778 4.120 0.001 0.000 0.295 154 V C 0.348 176.554 176.094 0.186 0.000 1.029 154 V CA -0.710 61.742 62.300 0.252 0.000 0.874 154 V CB 1.750 33.762 31.823 0.315 0.000 0.985 154 V HN 0.929 nan 8.190 nan 0.000 0.438 155 G N 2.192 111.095 108.800 0.173 0.000 2.542 155 G HA2 0.520 4.481 3.960 0.001 0.000 0.311 155 G HA3 0.520 4.481 3.960 0.001 0.000 0.311 155 G C -1.832 173.143 174.900 0.126 0.000 1.298 155 G CA -0.493 44.684 45.100 0.129 0.000 0.973 155 G HN 0.529 nan 8.290 nan 0.000 0.487 156 Y N 3.002 123.276 120.300 -0.042 0.000 2.804 156 Y HA 0.546 5.096 4.550 0.001 0.000 0.330 156 Y C -0.016 175.809 175.900 -0.124 0.000 1.092 156 Y CA -0.982 57.036 58.100 -0.136 0.000 1.315 156 Y CB 0.138 38.517 38.460 -0.136 0.000 1.188 156 Y HN 0.294 nan 8.280 nan 0.000 0.512 157 I N 4.584 124.977 120.570 -0.296 0.000 2.378 157 I HA 0.229 4.400 4.170 0.001 0.000 0.291 157 I C -0.117 175.793 176.117 -0.346 0.000 0.992 157 I CA -0.914 60.244 61.300 -0.237 0.000 1.154 157 I CB 1.271 39.193 38.000 -0.129 0.000 1.315 157 I HN 0.498 nan 8.210 nan 0.000 0.448 158 N N 4.554 123.088 118.700 -0.278 0.000 2.727 158 N HA -0.212 4.529 4.740 0.001 0.000 0.249 158 N C -0.457 174.825 175.510 -0.379 0.000 1.048 158 N CA 1.074 53.970 53.050 -0.256 0.000 0.714 158 N CB -1.032 37.348 38.487 -0.179 0.000 0.959 158 N HN 0.779 nan 8.380 nan 0.000 0.544 159 D N -1.604 118.431 120.400 -0.608 0.000 2.911 159 D HA -0.184 4.457 4.640 0.001 0.000 0.227 159 D C -0.262 175.456 176.300 -0.969 0.000 1.164 159 D CA 1.252 54.755 54.000 -0.830 0.000 0.782 159 D CB -0.520 40.103 40.800 -0.295 0.000 1.094 159 D HN 0.512 nan 8.370 nan 0.000 0.425 160 Q N -0.760 118.399 119.800 -1.069 0.000 2.389 160 Q HA 0.365 4.706 4.340 0.001 0.000 0.277 160 Q C -0.462 175.088 176.000 -0.750 0.000 1.082 160 Q CA -0.628 54.727 55.803 -0.746 0.000 0.810 160 Q CB 1.245 29.755 28.738 -0.379 0.000 1.374 160 Q HN 0.165 nan 8.270 nan 0.000 0.422 161 Y N 0.051 120.091 120.300 -0.435 0.000 2.359 161 Y HA 0.369 4.919 4.550 0.001 0.000 0.334 161 Y C 0.425 175.980 175.900 -0.576 0.000 1.058 161 Y CA -0.515 57.202 58.100 -0.638 0.000 1.244 161 Y CB 0.889 38.532 38.460 -1.361 0.000 1.187 161 Y HN 0.138 nan 8.280 nan 0.000 0.510 162 V N 5.404 125.258 119.914 -0.099 0.000 2.487 162 V HA 0.240 4.361 4.120 0.001 0.000 0.298 162 V C -0.562 175.701 176.094 0.282 0.000 1.028 162 V CA -0.972 61.382 62.300 0.090 0.000 0.860 162 V CB 1.775 33.613 31.823 0.025 0.000 0.991 162 V HN 0.535 nan 8.190 nan 0.000 0.427 163 L N 5.826 127.257 121.223 0.347 0.000 2.319 163 L HA 0.501 4.842 4.340 0.001 0.000 0.280 163 L C 0.487 177.401 176.870 0.074 0.000 1.099 163 L CA 0.458 55.431 54.840 0.222 0.000 0.828 163 L CB 0.072 42.161 42.059 0.051 0.000 1.150 163 L HN 0.781 nan 8.230 nan 0.000 0.442 164 N N 3.417 122.154 118.700 0.063 0.000 2.586 164 N HA -0.151 4.590 4.740 0.001 0.000 0.282 164 N C -2.456 173.102 175.510 0.080 0.000 1.171 164 N CA 0.368 53.447 53.050 0.048 0.000 0.733 164 N CB -1.132 37.354 38.487 -0.002 0.000 0.910 164 N HN 0.455 nan 8.380 nan 0.000 0.548 165 P HA 0.154 nan 4.420 nan 0.000 0.281 165 P C 0.481 177.816 177.300 0.058 0.000 1.252 165 P CA -0.085 63.055 63.100 0.066 0.000 0.778 165 P CB 1.021 32.755 31.700 0.056 0.000 0.895 166 T N 1.575 116.168 114.554 0.066 0.000 2.788 166 T HA 0.002 4.353 4.350 0.001 0.000 0.287 166 T C 1.526 176.246 174.700 0.034 0.000 1.007 166 T CA -0.231 61.900 62.100 0.052 0.000 1.005 166 T CB 0.242 69.154 68.868 0.073 0.000 1.012 166 T HN 0.278 nan 8.240 nan 0.000 0.530 167 Q N 1.069 120.885 119.800 0.026 0.000 2.112 167 Q HA -0.138 4.202 4.340 0.001 0.000 0.206 167 Q C 1.721 177.734 176.000 0.020 0.000 0.987 167 Q CA 2.007 57.823 55.803 0.022 0.000 0.858 167 Q CB -0.305 28.444 28.738 0.019 0.000 0.905 167 Q HN 0.682 nan 8.270 nan 0.000 0.420 168 D N 0.016 120.429 120.400 0.021 0.000 2.194 168 D HA -0.097 4.544 4.640 0.001 0.000 0.204 168 D C 1.614 177.922 176.300 0.013 0.000 0.964 168 D CA 0.651 54.661 54.000 0.016 0.000 0.846 168 D CB -0.025 40.784 40.800 0.015 0.000 0.962 168 D HN 0.363 nan 8.370 nan 0.000 0.490 169 E N -0.031 120.179 120.200 0.017 0.000 2.299 169 E HA -0.009 4.342 4.350 0.001 0.000 0.193 169 E C 1.998 178.606 176.600 0.012 0.000 0.998 169 E CA -0.056 56.351 56.400 0.012 0.000 0.851 169 E CB 0.131 29.841 29.700 0.017 0.000 0.795 169 E HN 0.148 nan 8.360 nan 0.000 0.492 170 L N 0.715 121.950 121.223 0.019 0.000 2.291 170 L HA -0.101 4.240 4.340 0.001 0.000 0.214 170 L C 2.015 178.896 176.870 0.017 0.000 1.120 170 L CA 0.784 55.637 54.840 0.022 0.000 0.799 170 L CB 0.058 42.132 42.059 0.026 0.000 0.925 170 L HN -0.052 nan 8.230 nan 0.000 0.446 171 K N -0.053 120.355 120.400 0.013 0.000 2.147 171 K HA -0.134 4.187 4.320 0.001 0.000 0.205 171 K C 1.758 178.361 176.600 0.006 0.000 1.049 171 K CA 1.033 57.326 56.287 0.010 0.000 0.936 171 K CB -0.074 32.431 32.500 0.008 0.000 0.722 171 K HN 0.370 nan 8.250 nan 0.000 0.446 172 E N 0.578 120.778 120.200 0.001 0.000 2.385 172 E HA -0.004 4.347 4.350 0.001 0.000 0.194 172 E C 0.661 177.258 176.600 -0.005 0.000 1.013 172 E CA 0.057 56.453 56.400 -0.007 0.000 0.866 172 E CB 0.105 29.795 29.700 -0.017 0.000 0.832 172 E HN -0.002 nan 8.360 nan 0.000 0.500 173 S N 0.615 116.318 115.700 0.005 0.000 2.564 173 S HA 0.052 4.523 4.470 0.001 0.000 0.278 173 S C 0.883 175.504 174.600 0.035 0.000 1.333 173 S CA -0.227 57.985 58.200 0.020 0.000 1.048 173 S CB 0.868 64.087 63.200 0.031 0.000 0.900 173 S HN -0.138 nan 8.310 nan 0.000 0.505 174 K N 2.852 123.291 120.400 0.064 0.000 2.372 174 K HA 0.353 4.673 4.320 0.001 0.000 0.200 174 K C -0.269 176.362 176.600 0.052 0.000 1.022 174 K CA -0.211 56.110 56.287 0.057 0.000 1.125 174 K CB -0.262 32.282 32.500 0.073 0.000 0.855 174 K HN 0.553 nan 8.250 nan 0.000 0.524 175 L N 0.631 121.897 121.223 0.073 0.000 2.445 175 L HA 0.608 4.949 4.340 0.001 0.000 0.262 175 L C -2.253 174.656 176.870 0.065 0.000 0.974 175 L CA -0.427 54.450 54.840 0.062 0.000 0.822 175 L CB 2.526 44.638 42.059 0.089 0.000 1.339 175 L HN -0.036 nan 8.230 nan 0.000 0.409 176 D N 3.985 124.412 120.400 0.045 0.000 2.478 176 D HA 0.554 5.195 4.640 0.001 0.000 0.240 176 D C -1.827 174.494 176.300 0.035 0.000 1.364 176 D CA -0.114 53.913 54.000 0.045 0.000 0.987 176 D CB 1.162 41.980 40.800 0.030 0.000 1.328 176 D HN 0.557 nan 8.370 nan 0.000 0.584 177 L N 0.950 122.205 121.223 0.053 0.000 2.409 177 L HA 0.845 5.186 4.340 0.001 0.000 0.262 177 L C -1.520 175.381 176.870 0.052 0.000 0.992 177 L CA -1.013 53.852 54.840 0.041 0.000 0.817 177 L CB 2.040 44.125 42.059 0.044 0.000 1.350 177 L HN -0.005 nan 8.230 nan 0.000 0.411 178 V N 2.509 122.442 119.914 0.032 0.000 2.384 178 V HA 0.636 4.757 4.120 0.001 0.000 0.287 178 V C -0.330 175.787 176.094 0.039 0.000 1.020 178 V CA -0.604 61.718 62.300 0.036 0.000 0.850 178 V CB 1.567 33.397 31.823 0.011 0.000 0.987 178 V HN 0.713 nan 8.190 nan 0.000 0.436 179 V N 5.135 125.086 119.914 0.061 0.000 2.459 179 V HA 0.939 5.060 4.120 0.001 0.000 0.295 179 V C 0.089 176.225 176.094 0.070 0.000 1.029 179 V CA -0.063 62.277 62.300 0.067 0.000 0.874 179 V CB 1.499 33.377 31.823 0.091 0.000 0.985 179 V HN 1.087 nan 8.190 nan 0.000 0.438 180 A N 4.621 127.479 122.820 0.063 0.000 2.393 180 A HA 1.037 5.358 4.320 0.001 0.000 0.306 180 A C -0.097 177.535 177.584 0.079 0.000 1.050 180 A CA 0.024 52.097 52.037 0.059 0.000 0.724 180 A CB 1.862 20.883 19.000 0.036 0.000 1.248 180 A HN 1.893 nan 8.150 nan 0.000 0.424 181 G N -0.386 108.468 108.800 0.090 0.000 2.519 181 G HA2 0.540 4.501 3.960 0.001 0.000 0.292 181 G HA3 0.540 4.501 3.960 0.001 0.000 0.292 181 G C -0.457 174.483 174.900 0.065 0.000 1.507 181 G CA 0.291 45.458 45.100 0.111 0.000 0.806 181 G HN 0.967 nan 8.290 nan 0.000 0.523 182 T N -1.163 113.411 114.554 0.033 0.000 2.729 182 T HA 0.216 4.567 4.350 0.001 0.000 0.298 182 T C 1.526 176.217 174.700 -0.016 0.000 1.013 182 T CA 0.653 62.729 62.100 -0.039 0.000 0.957 182 T CB 0.978 69.782 68.868 -0.108 0.000 1.130 182 T HN 0.616 nan 8.240 nan 0.000 0.526 183 E N -0.382 119.774 120.200 -0.075 0.000 2.160 183 E HA -0.131 4.220 4.350 0.001 0.000 0.195 183 E C 1.919 178.510 176.600 -0.016 0.000 0.991 183 E CA 1.238 57.587 56.400 -0.086 0.000 0.810 183 E CB -0.285 29.359 29.700 -0.093 0.000 0.742 183 E HN 0.639 nan 8.360 nan 0.000 0.466 184 A N 0.430 123.253 122.820 0.004 0.000 1.887 184 A HA 0.439 4.760 4.320 0.001 0.000 0.212 184 A C 1.002 178.621 177.584 0.060 0.000 1.198 184 A CA 0.861 52.909 52.037 0.018 0.000 0.628 184 A CB 0.180 19.163 19.000 -0.029 0.000 0.847 184 A HN 0.292 nan 8.150 nan 0.000 0.449 185 A N -1.435 121.416 122.820 0.052 0.000 2.566 185 A HA 0.610 4.931 4.320 0.001 0.000 0.292 185 A C -0.610 176.948 177.584 -0.044 0.000 1.112 185 A CA -0.439 51.567 52.037 -0.052 0.000 0.707 185 A CB 0.707 19.657 19.000 -0.083 0.000 1.302 185 A HN 0.448 nan 8.150 nan 0.000 0.409 186 V N 0.873 120.636 119.914 -0.253 0.000 2.881 186 V HA 0.304 4.425 4.120 0.001 0.000 0.303 186 V C 0.795 176.854 176.094 -0.057 0.000 1.070 186 V CA 0.139 62.343 62.300 -0.160 0.000 1.074 186 V CB 0.910 32.593 31.823 -0.234 0.000 1.012 186 V HN 0.830 nan 8.190 nan 0.000 0.482 187 L N 2.041 123.259 121.223 -0.009 0.000 2.713 187 L HA 0.466 4.806 4.340 0.001 0.000 0.223 187 L C 0.369 177.248 176.870 0.014 0.000 1.040 187 L CA 0.421 55.259 54.840 -0.003 0.000 0.894 187 L CB 0.541 42.596 42.059 -0.007 0.000 1.361 187 L HN 0.605 nan 8.230 nan 0.000 0.490 188 M N 0.174 119.786 119.600 0.021 0.000 2.470 188 M HA 0.606 5.087 4.480 0.001 0.000 0.285 188 M C -2.185 174.126 176.300 0.018 0.000 1.213 188 M CA -0.525 54.786 55.300 0.019 0.000 0.901 188 M CB 2.916 35.524 32.600 0.013 0.000 1.718 188 M HN -0.263 nan 8.290 nan 0.000 0.469 189 V N 2.513 122.431 119.914 0.007 0.000 2.668 189 V HA 0.501 4.622 4.120 0.001 0.000 0.304 189 V C -1.453 174.623 176.094 -0.031 0.000 1.071 189 V CA -0.516 61.784 62.300 -0.000 0.000 0.894 189 V CB 2.026 33.855 31.823 0.011 0.000 1.008 189 V HN 0.858 nan 8.190 nan 0.000 0.425 190 E N 3.199 123.381 120.200 -0.030 0.000 2.199 190 E HA 0.758 5.108 4.350 0.001 0.000 0.265 190 E C -0.604 175.973 176.600 -0.038 0.000 0.882 190 E CA -0.219 56.151 56.400 -0.050 0.000 0.759 190 E CB 1.999 31.666 29.700 -0.055 0.000 1.148 190 E HN 0.840 nan 8.360 nan 0.000 0.412 191 S N 2.829 118.497 115.700 -0.053 0.000 2.599 191 S HA 0.659 5.130 4.470 0.001 0.000 0.287 191 S C -0.807 173.766 174.600 -0.044 0.000 1.105 191 S CA -0.938 57.239 58.200 -0.039 0.000 0.899 191 S CB 1.605 64.781 63.200 -0.041 0.000 1.100 191 S HN 0.482 nan 8.310 nan 0.000 0.482 192 E N 0.669 120.852 120.200 -0.028 0.000 2.373 192 E HA 0.593 4.943 4.350 0.001 0.000 0.251 192 E C -0.906 175.681 176.600 -0.021 0.000 0.923 192 E CA -0.673 55.709 56.400 -0.029 0.000 0.798 192 E CB 1.220 30.909 29.700 -0.019 0.000 1.303 192 E HN 0.941 nan 8.360 nan 0.000 0.412 193 A N 3.717 126.516 122.820 -0.034 0.000 2.322 193 A HA 0.495 4.816 4.320 0.001 0.000 0.327 193 A C -0.606 176.957 177.584 -0.036 0.000 1.134 193 A CA -0.653 51.363 52.037 -0.034 0.000 0.831 193 A CB 1.631 20.602 19.000 -0.050 0.000 1.288 193 A HN 0.615 nan 8.150 nan 0.000 0.472 194 Q N 0.821 120.601 119.800 -0.033 0.000 2.644 194 Q HA 0.501 4.842 4.340 0.001 0.000 0.245 194 Q C -1.306 174.672 176.000 -0.036 0.000 1.064 194 Q CA -0.499 55.285 55.803 -0.031 0.000 0.860 194 Q CB -0.273 28.455 28.738 -0.017 0.000 1.145 194 Q HN 0.695 nan 8.270 nan 0.000 0.515 195 L N 2.279 123.476 121.223 -0.043 0.000 3.677 195 L HA -0.276 4.064 4.340 0.001 0.000 0.464 195 L C -1.076 175.766 176.870 -0.047 0.000 1.278 195 L CA 1.049 55.865 54.840 -0.041 0.000 0.806 195 L CB -1.491 40.548 42.059 -0.033 0.000 1.610 195 L HN 0.602 nan 8.230 nan 0.000 0.867 196 L N -0.934 120.250 121.223 -0.064 0.000 2.343 196 L HA 0.618 4.959 4.340 0.001 0.000 0.275 196 L C 1.148 177.972 176.870 -0.075 0.000 1.056 196 L CA -0.322 54.462 54.840 -0.094 0.000 0.804 196 L CB 1.652 43.617 42.059 -0.156 0.000 1.203 196 L HN 0.391 nan 8.230 nan 0.000 0.440 197 S N 0.375 116.030 115.700 -0.075 0.000 2.617 197 S HA 0.125 4.596 4.470 0.001 0.000 0.259 197 S C 0.733 175.311 174.600 -0.035 0.000 1.301 197 S CA -0.550 57.624 58.200 -0.044 0.000 0.984 197 S CB 1.060 64.241 63.200 -0.032 0.000 0.954 197 S HN 0.632 nan 8.310 nan 0.000 0.572 198 E N 0.693 120.888 120.200 -0.008 0.000 2.077 198 E HA -0.091 4.260 4.350 0.001 0.000 0.193 198 E C 1.350 177.958 176.600 0.014 0.000 0.989 198 E CA 1.533 57.940 56.400 0.011 0.000 0.800 198 E CB -0.250 29.467 29.700 0.028 0.000 0.746 198 E HN 0.644 nan 8.360 nan 0.000 0.452 199 D N 0.207 120.613 120.400 0.011 0.000 2.219 199 D HA -0.108 4.532 4.640 0.001 0.000 0.205 199 D C 1.700 178.021 176.300 0.035 0.000 0.970 199 D CA 0.790 54.805 54.000 0.025 0.000 0.851 199 D CB -0.085 40.733 40.800 0.030 0.000 0.943 199 D HN 0.279 nan 8.370 nan 0.000 0.488 200 Q N -0.699 119.092 119.800 -0.014 0.000 2.187 200 Q HA 0.016 4.356 4.340 0.001 0.000 0.199 200 Q C 1.934 177.918 176.000 -0.027 0.000 0.957 200 Q CA 0.604 56.366 55.803 -0.068 0.000 0.857 200 Q CB 0.144 28.701 28.738 -0.303 0.000 0.929 200 Q HN 0.210 nan 8.270 nan 0.000 0.453 201 M N 0.098 119.681 119.600 -0.029 0.000 2.160 201 M HA -0.059 4.422 4.480 0.001 0.000 0.264 201 M C 2.181 178.493 176.300 0.019 0.000 1.073 201 M CA 1.070 56.365 55.300 -0.009 0.000 1.142 201 M CB -0.727 31.864 32.600 -0.014 0.000 1.358 201 M HN 0.251 nan 8.290 nan 0.000 0.422 202 L N 0.053 121.291 121.223 0.026 0.000 2.109 202 L HA -0.018 4.322 4.340 0.001 0.000 0.207 202 L C 2.190 179.053 176.870 -0.012 0.000 1.086 202 L CA 1.384 56.238 54.840 0.023 0.000 0.760 202 L CB -0.664 41.412 42.059 0.028 0.000 0.910 202 L HN 0.346 nan 8.230 nan 0.000 0.437 203 G N -1.173 107.617 108.800 -0.017 0.000 2.509 203 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 203 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 203 G C 1.484 176.131 174.900 -0.421 0.000 1.124 203 G CA 0.608 45.637 45.100 -0.118 0.000 0.776 203 G HN 0.548 nan 8.290 nan 0.000 0.547 204 A N -0.052 122.625 122.820 -0.239 0.000 1.984 204 A HA 0.306 4.627 4.320 0.001 0.000 0.214 204 A C 2.464 180.054 177.584 0.010 0.000 1.173 204 A CA 1.131 53.061 52.037 -0.179 0.000 0.673 204 A CB -0.136 18.926 19.000 0.103 0.000 0.830 204 A HN 0.181 nan 8.150 nan 0.000 0.453 205 V N -0.190 119.731 119.914 0.011 0.000 2.358 205 V HA -0.186 3.935 4.120 0.001 0.000 0.246 205 V C 2.518 178.638 176.094 0.044 0.000 1.047 205 V CA 1.939 64.263 62.300 0.039 0.000 1.035 205 V CB -0.708 31.130 31.823 0.026 0.000 0.658 205 V HN 0.348 nan 8.190 nan 0.000 0.452 206 V N -0.393 119.527 119.914 0.010 0.000 2.427 206 V HA -0.232 3.889 4.120 0.001 0.000 0.248 206 V C 2.164 178.292 176.094 0.057 0.000 1.051 206 V CA 2.174 64.488 62.300 0.024 0.000 1.048 206 V CB -0.809 31.011 31.823 -0.006 0.000 0.666 206 V HN 0.559 nan 8.190 nan 0.000 0.456 207 F N 2.364 122.229 119.950 -0.141 0.000 2.069 207 F HA -0.085 4.442 4.527 0.001 0.000 0.298 207 F C 2.215 178.002 175.800 -0.021 0.000 1.113 207 F CA 1.960 59.879 58.000 -0.135 0.000 1.214 207 F CB -0.876 37.928 39.000 -0.326 0.000 0.978 207 F HN 0.139 nan 8.300 nan 0.000 0.474 208 G N -1.241 107.562 108.800 0.005 0.000 2.422 208 G HA2 -0.275 3.685 3.960 0.001 0.000 0.218 208 G HA3 -0.275 3.685 3.960 0.001 0.000 0.218 208 G C 1.764 176.647 174.900 -0.027 0.000 1.140 208 G CA 0.878 45.953 45.100 -0.041 0.000 0.775 208 G HN 0.572 nan 8.290 nan 0.000 0.545 209 H N 0.620 119.650 119.070 -0.067 0.000 2.423 209 H HA 0.062 4.619 4.556 0.001 0.000 0.297 209 H C 2.211 177.490 175.328 -0.081 0.000 1.075 209 H CA 1.382 57.396 56.048 -0.057 0.000 1.342 209 H CB 0.276 30.013 29.762 -0.042 0.000 1.395 209 H HN 0.462 nan 8.280 nan 0.000 0.530 210 E N -0.163 119.979 120.200 -0.096 0.000 2.158 210 E HA -0.105 4.246 4.350 0.001 0.000 0.191 210 E C 2.288 178.782 176.600 -0.178 0.000 0.982 210 E CA 0.287 56.603 56.400 -0.141 0.000 0.823 210 E CB 0.286 29.926 29.700 -0.099 0.000 0.766 210 E HN 0.446 nan 8.360 nan 0.000 0.468 211 Q N 0.423 120.084 119.800 -0.231 0.000 2.187 211 Q HA -0.139 4.202 4.340 0.001 0.000 0.199 211 Q C 2.009 178.043 176.000 0.057 0.000 0.957 211 Q CA 1.031 56.748 55.803 -0.143 0.000 0.857 211 Q CB -0.009 28.546 28.738 -0.305 0.000 0.929 211 Q HN 0.507 nan 8.270 nan 0.000 0.453 212 Q N -0.432 119.356 119.800 -0.021 0.000 2.472 212 Q HA -0.028 4.313 4.340 0.001 0.000 0.208 212 Q C 1.440 177.333 176.000 -0.178 0.000 0.958 212 Q CA 0.342 56.108 55.803 -0.061 0.000 0.932 212 Q CB 0.104 28.802 28.738 -0.066 0.000 1.007 212 Q HN 0.126 nan 8.270 nan 0.000 0.508 213 Q N 0.693 120.382 119.800 -0.185 0.000 2.167 213 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 213 Q C 2.118 178.012 176.000 -0.177 0.000 0.970 213 Q CA 1.142 56.825 55.803 -0.199 0.000 0.855 213 Q CB -0.170 28.459 28.738 -0.182 0.000 0.911 213 Q HN 0.369 nan 8.270 nan 0.000 0.438 214 V N 0.321 120.154 119.914 -0.135 0.000 2.626 214 V HA -0.152 3.969 4.120 0.001 0.000 0.252 214 V C 2.068 177.966 176.094 -0.327 0.000 1.067 214 V CA 0.940 63.153 62.300 -0.145 0.000 1.081 214 V CB -0.037 31.794 31.823 0.014 0.000 0.686 214 V HN 0.100 nan 8.190 nan 0.000 0.468 215 V N 0.064 119.768 119.914 -0.351 0.000 2.407 215 V HA -0.164 3.957 4.120 0.001 0.000 0.245 215 V C 2.218 178.079 176.094 -0.389 0.000 1.041 215 V CA 2.172 64.205 62.300 -0.444 0.000 1.040 215 V CB -0.486 31.109 31.823 -0.380 0.000 0.671 215 V HN 0.477 nan 8.190 nan 0.000 0.455 216 I N -0.038 120.366 120.570 -0.276 0.000 2.226 216 I HA -0.301 3.870 4.170 0.001 0.000 0.245 216 I C 2.680 178.666 176.117 -0.219 0.000 1.100 216 I CA 1.632 62.806 61.300 -0.211 0.000 1.374 216 I CB -0.462 37.431 38.000 -0.178 0.000 1.057 216 I HN 0.336 nan 8.210 nan 0.000 0.413 217 Q N 0.420 120.076 119.800 -0.241 0.000 2.124 217 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 217 Q C 1.957 177.804 176.000 -0.255 0.000 0.977 217 Q CA 1.198 56.873 55.803 -0.213 0.000 0.850 217 Q CB -0.135 28.491 28.738 -0.186 0.000 0.901 217 Q HN 0.531 nan 8.270 nan 0.000 0.429 218 N N 0.301 118.751 118.700 -0.416 0.000 2.354 218 N HA -0.031 4.709 4.740 0.001 0.000 0.179 218 N C 1.737 177.064 175.510 -0.304 0.000 1.021 218 N CA 0.812 53.576 53.050 -0.476 0.000 0.887 218 N CB 0.147 37.986 38.487 -1.080 0.000 0.974 218 N HN 0.261 nan 8.380 nan 0.000 0.437 219 I N 1.010 121.421 120.570 -0.266 0.000 2.286 219 I HA -0.195 3.975 4.170 0.001 0.000 0.245 219 I C 2.122 178.178 176.117 -0.102 0.000 1.104 219 I CA 0.747 61.964 61.300 -0.139 0.000 1.397 219 I CB -0.223 37.712 38.000 -0.109 0.000 1.072 219 I HN 0.015 nan 8.210 nan 0.000 0.417 220 N N 0.925 119.556 118.700 -0.114 0.000 2.166 220 N HA -0.200 4.541 4.740 0.001 0.000 0.186 220 N C 1.756 177.222 175.510 -0.072 0.000 1.019 220 N CA 1.371 54.370 53.050 -0.085 0.000 0.856 220 N CB 0.005 38.437 38.487 -0.092 0.000 0.993 220 N HN 0.192 nan 8.380 nan 0.000 0.426 221 E N 0.136 120.284 120.200 -0.087 0.000 2.208 221 E HA -0.092 4.259 4.350 0.001 0.000 0.193 221 E C 1.956 178.529 176.600 -0.045 0.000 0.988 221 E CA 0.216 56.577 56.400 -0.065 0.000 0.828 221 E CB -0.239 29.415 29.700 -0.077 0.000 0.763 221 E HN 0.437 nan 8.360 nan 0.000 0.478 222 L N 0.369 121.564 121.223 -0.048 0.000 2.156 222 L HA -0.103 4.238 4.340 0.001 0.000 0.208 222 L C 2.162 179.023 176.870 -0.015 0.000 1.095 222 L CA 0.501 55.328 54.840 -0.022 0.000 0.770 222 L CB 0.125 42.175 42.059 -0.016 0.000 0.914 222 L HN -0.078 nan 8.230 nan 0.000 0.439 223 V N -0.292 119.608 119.914 -0.023 0.000 2.427 223 V HA -0.261 3.860 4.120 0.001 0.000 0.248 223 V C 2.341 178.431 176.094 -0.007 0.000 1.051 223 V CA 1.731 64.023 62.300 -0.014 0.000 1.048 223 V CB -0.548 31.263 31.823 -0.019 0.000 0.666 223 V HN 0.416 nan 8.190 nan 0.000 0.456 224 K N -0.249 120.142 120.400 -0.014 0.000 2.217 224 K HA -0.154 4.167 4.320 0.001 0.000 0.202 224 K C 2.132 178.730 176.600 -0.003 0.000 1.051 224 K CA 1.198 57.479 56.287 -0.009 0.000 0.952 224 K CB 0.013 32.502 32.500 -0.017 0.000 0.736 224 K HN 0.566 nan 8.250 nan 0.000 0.453 225 E N 0.390 120.588 120.200 -0.004 0.000 2.014 225 E HA -0.013 4.338 4.350 0.001 0.000 0.190 225 E C -0.387 176.218 176.600 0.009 0.000 0.980 225 E CA 0.627 57.029 56.400 0.003 0.000 0.807 225 E CB 0.293 29.995 29.700 0.003 0.000 0.770 225 E HN 0.190 nan 8.360 nan 0.000 0.451 226 A N 0.096 122.922 122.820 0.011 0.000 2.429 226 A HA 0.656 4.977 4.320 0.001 0.000 0.289 226 A C -0.433 177.162 177.584 0.019 0.000 1.043 226 A CA -0.004 52.044 52.037 0.017 0.000 0.722 226 A CB 1.804 20.816 19.000 0.020 0.000 1.243 226 A HN 0.333 nan 8.150 nan 0.000 0.415 227 G N 0.980 109.794 108.800 0.023 0.000 2.368 227 G HA2 0.472 4.433 3.960 0.001 0.000 0.293 227 G HA3 0.472 4.433 3.960 0.001 0.000 0.293 227 G C -1.396 173.529 174.900 0.041 0.000 1.467 227 G CA -0.966 44.151 45.100 0.028 0.000 0.804 227 G HN 0.655 nan 8.290 nan 0.000 0.535 228 K N 1.593 122.026 120.400 0.055 0.000 2.350 228 K HA 0.344 4.665 4.320 0.001 0.000 0.279 228 K C -1.768 174.890 176.600 0.097 0.000 1.027 228 K CA -0.989 55.347 56.287 0.083 0.000 0.969 228 K CB 0.965 33.534 32.500 0.116 0.000 0.954 228 K HN 0.337 nan 8.250 nan 0.000 0.474 229 P HA 0.038 nan 4.420 nan 0.000 0.271 229 P C -0.608 176.796 177.300 0.175 0.000 1.233 229 P CA -0.120 63.044 63.100 0.107 0.000 0.789 229 P CB 0.582 32.333 31.700 0.085 0.000 0.951 230 R N -0.015 120.581 120.500 0.159 0.000 2.643 230 R HA 0.094 4.435 4.340 0.001 0.000 0.270 230 R C -0.070 176.433 176.300 0.339 0.000 1.061 230 R CA -0.048 56.180 56.100 0.214 0.000 1.107 230 R CB 0.102 30.487 30.300 0.142 0.000 0.999 230 R HN 0.471 nan 8.270 nan 0.000 0.460 231 W N 1.415 122.767 121.300 0.086 0.000 2.190 231 W HA -0.008 4.653 4.660 0.001 0.000 0.330 231 W C 0.406 177.032 176.519 0.178 0.000 1.299 231 W CA -0.312 57.113 57.345 0.133 0.000 1.215 231 W CB 0.131 29.686 29.460 0.159 0.000 1.147 231 W HN 0.470 nan 8.180 nan 0.000 0.563 232 D N 3.040 123.614 120.400 0.290 0.000 2.435 232 D HA 0.110 4.751 4.640 0.001 0.000 0.230 232 D C -1.233 175.283 176.300 0.359 0.000 1.215 232 D CA 0.095 54.235 54.000 0.234 0.000 0.947 232 D CB -0.277 40.583 40.800 0.099 0.000 1.048 232 D HN 0.283 nan 8.370 nan 0.000 0.512 233 W N 3.199 124.617 121.300 0.196 0.000 3.129 233 W HA 0.389 5.049 4.660 0.001 0.000 0.333 233 W C -1.581 175.033 176.519 0.157 0.000 1.141 233 W CA -0.578 56.899 57.345 0.220 0.000 1.224 233 W CB 1.266 30.952 29.460 0.377 0.000 1.393 233 W HN 0.155 nan 8.180 nan 0.000 0.499 234 Q N 5.364 124.743 119.800 -0.702 0.000 2.375 234 Q HA 0.441 4.782 4.340 0.001 0.000 0.271 234 Q C -2.259 172.943 176.000 -1.330 0.000 1.074 234 Q CA -1.955 53.392 55.803 -0.760 0.000 0.808 234 Q CB 2.549 31.080 28.738 -0.345 0.000 1.327 234 Q HN 0.168 nan 8.270 nan 0.000 0.441 235 P HA -0.053 nan 4.420 nan 0.000 0.272 235 P C -0.577 176.529 177.300 -0.324 0.000 1.240 235 P CA -0.361 62.352 63.100 -0.644 0.000 0.791 235 P CB 0.547 32.126 31.700 -0.202 0.000 0.978 236 E N 2.791 122.903 120.200 -0.148 0.000 2.498 236 E HA 0.030 4.381 4.350 0.001 0.000 0.252 236 E C -1.656 174.906 176.600 -0.064 0.000 1.025 236 E CA -1.178 55.173 56.400 -0.080 0.000 0.938 236 E CB -0.325 29.369 29.700 -0.010 0.000 0.947 236 E HN 0.281 nan 8.360 nan 0.000 0.478 237 P HA -0.060 nan 4.420 nan 0.000 0.265 237 P C -0.058 177.225 177.300 -0.027 0.000 1.187 237 P CA -0.114 62.955 63.100 -0.053 0.000 0.766 237 P CB 0.582 32.251 31.700 -0.051 0.000 0.820 238 V N 2.951 122.853 119.914 -0.020 0.000 2.529 238 V HA 0.047 4.167 4.120 0.001 0.000 0.292 238 V C 0.162 176.252 176.094 -0.007 0.000 1.028 238 V CA 0.039 62.335 62.300 -0.008 0.000 1.074 238 V CB -0.292 31.528 31.823 -0.005 0.000 0.958 238 V HN 0.593 nan 8.190 nan 0.000 0.481 239 N N 4.755 123.454 118.700 -0.002 0.000 2.564 239 N HA 0.337 5.077 4.740 0.001 0.000 0.248 239 N C 0.542 176.053 175.510 0.002 0.000 0.986 239 N CA -0.343 52.707 53.050 -0.001 0.000 0.921 239 N CB 1.525 40.013 38.487 0.000 0.000 1.136 239 N HN 0.728 nan 8.380 nan 0.000 0.509 240 E N 1.534 121.735 120.200 0.000 0.000 2.427 240 E HA 0.003 4.353 4.350 0.001 0.000 0.196 240 E C 1.169 177.770 176.600 0.002 0.000 1.028 240 E CA 0.402 56.803 56.400 0.001 0.000 0.864 240 E CB 0.247 29.947 29.700 -0.000 0.000 0.813 240 E HN 0.682 nan 8.360 nan 0.000 0.514 241 A N 0.429 123.250 122.820 0.002 0.000 1.968 241 A HA -0.084 4.236 4.320 0.001 0.000 0.217 241 A C 1.910 179.497 177.584 0.005 0.000 1.169 241 A CA 0.962 53.000 52.037 0.003 0.000 0.638 241 A CB 0.037 19.038 19.000 0.001 0.000 0.812 241 A HN 0.121 nan 8.150 nan 0.000 0.446 242 L N -0.907 120.320 121.223 0.007 0.000 2.425 242 L HA 0.157 4.497 4.340 0.001 0.000 0.215 242 L C 1.724 178.601 176.870 0.012 0.000 1.065 242 L CA 0.677 55.523 54.840 0.010 0.000 0.842 242 L CB -0.344 41.722 42.059 0.011 0.000 1.033 242 L HN 0.184 nan 8.230 nan 0.000 0.474 243 N N 0.229 118.935 118.700 0.011 0.000 2.166 243 N HA -0.101 4.640 4.740 0.001 0.000 0.186 243 N C 1.749 177.264 175.510 0.009 0.000 1.019 243 N CA 1.399 54.455 53.050 0.012 0.000 0.856 243 N CB -0.202 38.291 38.487 0.010 0.000 0.993 243 N HN 0.329 nan 8.380 nan 0.000 0.426 244 A N 0.038 122.862 122.820 0.007 0.000 2.132 244 A HA 0.068 4.389 4.320 0.001 0.000 0.213 244 A C 2.172 179.760 177.584 0.006 0.000 1.154 244 A CA 0.445 52.485 52.037 0.005 0.000 0.753 244 A CB -0.069 18.933 19.000 0.003 0.000 0.826 244 A HN 0.146 nan 8.150 nan 0.000 0.469 245 R N -0.841 119.663 120.500 0.008 0.000 2.080 245 R HA 0.027 4.367 4.340 0.001 0.000 0.222 245 R C 1.839 178.145 176.300 0.010 0.000 1.107 245 R CA 1.340 57.444 56.100 0.008 0.000 0.980 245 R CB -0.236 30.069 30.300 0.008 0.000 0.879 245 R HN 0.252 nan 8.270 nan 0.000 0.439 246 V N 0.914 120.836 119.914 0.013 0.000 2.809 246 V HA -0.043 4.078 4.120 0.001 0.000 0.256 246 V C 1.979 178.083 176.094 0.016 0.000 1.080 246 V CA 1.732 64.042 62.300 0.016 0.000 1.102 246 V CB 0.088 31.923 31.823 0.021 0.000 0.705 246 V HN 0.488 nan 8.190 nan 0.000 0.475 247 A N -0.314 122.514 122.820 0.013 0.000 2.014 247 A HA 0.155 4.476 4.320 0.001 0.000 0.218 247 A C 2.249 179.839 177.584 0.010 0.000 1.163 247 A CA 1.360 53.404 52.037 0.011 0.000 0.652 247 A CB -0.563 18.441 19.000 0.007 0.000 0.808 247 A HN 0.733 nan 8.150 nan 0.000 0.449 248 A N -1.361 121.464 122.820 0.009 0.000 2.209 248 A HA 0.307 4.628 4.320 0.001 0.000 0.212 248 A C 1.801 179.390 177.584 0.009 0.000 1.158 248 A CA 1.204 53.246 52.037 0.008 0.000 0.742 248 A CB -0.274 18.730 19.000 0.007 0.000 0.790 248 A HN 0.534 nan 8.150 nan 0.000 0.472 249 L N -3.360 117.870 121.223 0.012 0.000 2.766 249 L HA 0.407 4.748 4.340 0.001 0.000 0.241 249 L C 2.094 178.974 176.870 0.015 0.000 1.080 249 L CA 0.999 55.847 54.840 0.013 0.000 0.909 249 L CB 0.289 42.355 42.059 0.013 0.000 1.277 249 L HN 0.243 nan 8.230 nan 0.000 0.510 250 A N -0.933 121.898 122.820 0.018 0.000 1.988 250 A HA 0.010 4.330 4.320 0.001 0.000 0.201 250 A C 1.906 179.504 177.584 0.025 0.000 1.410 250 A CA 0.572 52.623 52.037 0.023 0.000 0.832 250 A CB -0.212 18.804 19.000 0.028 0.000 0.981 250 A HN 0.301 nan 8.150 nan 0.000 0.492 251 E N 0.555 120.766 120.200 0.020 0.000 2.130 251 E HA -0.217 4.134 4.350 0.001 0.000 0.196 251 E C 2.002 178.614 176.600 0.020 0.000 0.998 251 E CA 1.374 57.784 56.400 0.017 0.000 0.806 251 E CB -0.199 29.506 29.700 0.008 0.000 0.738 251 E HN 0.531 nan 8.360 nan 0.000 0.459 252 A N 1.023 123.853 122.820 0.017 0.000 1.898 252 A HA -0.140 4.181 4.320 0.001 0.000 0.216 252 A C 2.151 179.748 177.584 0.021 0.000 1.181 252 A CA 1.339 53.386 52.037 0.016 0.000 0.620 252 A CB -0.330 18.677 19.000 0.012 0.000 0.819 252 A HN 0.173 nan 8.150 nan 0.000 0.442 253 R N -0.822 119.692 120.500 0.022 0.000 2.119 253 R HA 0.142 4.482 4.340 0.001 0.000 0.222 253 R C 1.883 178.204 176.300 0.036 0.000 1.088 253 R CA 0.842 56.956 56.100 0.022 0.000 0.984 253 R CB -0.357 29.952 30.300 0.016 0.000 0.884 253 R HN 0.475 nan 8.270 nan 0.000 0.447 254 L N 0.095 121.352 121.223 0.057 0.000 2.217 254 L HA -0.100 4.241 4.340 0.001 0.000 0.211 254 L C 2.525 179.492 176.870 0.162 0.000 1.107 254 L CA 0.851 55.760 54.840 0.116 0.000 0.783 254 L CB -0.275 41.851 42.059 0.112 0.000 0.919 254 L HN 0.145 nan 8.230 nan 0.000 0.442 255 S N -0.428 115.325 115.700 0.088 0.000 2.387 255 S HA -0.161 4.309 4.470 0.001 0.000 0.226 255 S C 1.548 176.194 174.600 0.077 0.000 1.026 255 S CA 1.293 59.539 58.200 0.076 0.000 0.972 255 S CB -0.083 63.139 63.200 0.036 0.000 0.814 255 S HN 0.398 nan 8.310 nan 0.000 0.477 256 D N 1.078 121.509 120.400 0.051 0.000 2.249 256 D HA 0.195 4.835 4.640 0.001 0.000 0.205 256 D C 2.045 178.352 176.300 0.013 0.000 0.962 256 D CA 0.940 54.957 54.000 0.029 0.000 0.860 256 D CB -0.376 40.433 40.800 0.014 0.000 0.955 256 D HN 0.456 nan 8.370 nan 0.000 0.505 257 A N 0.018 122.841 122.820 0.005 0.000 1.930 257 A HA -0.145 4.176 4.320 0.001 0.000 0.217 257 A C 0.858 178.324 177.584 -0.197 0.000 1.175 257 A CA 0.756 52.730 52.037 -0.105 0.000 0.627 257 A CB -0.685 18.226 19.000 -0.149 0.000 0.815 257 A HN 0.217 nan 8.150 nan 0.000 0.443 258 Y N -0.623 119.657 120.300 -0.034 0.000 2.903 258 Y HA 0.392 4.943 4.550 0.001 0.000 0.387 258 Y C 1.545 177.435 175.900 -0.017 0.000 1.189 258 Y CA 0.127 58.207 58.100 -0.033 0.000 1.856 258 Y CB 0.036 38.472 38.460 -0.040 0.000 1.917 258 Y HN 0.346 nan 8.280 nan 0.000 0.448 259 R N 0.271 120.806 120.500 0.060 0.000 2.663 259 R HA 0.233 4.574 4.340 0.001 0.000 0.199 259 R C 0.297 176.610 176.300 0.023 0.000 0.870 259 R CA 0.053 56.180 56.100 0.046 0.000 1.040 259 R CB 0.472 30.792 30.300 0.034 0.000 1.524 259 R HN 0.423 nan 8.270 nan 0.000 0.643 260 I N 0.467 121.036 120.570 -0.002 0.000 2.634 260 I HA 0.179 4.349 4.170 0.001 0.000 0.284 260 I C 0.540 176.661 176.117 0.007 0.000 1.124 260 I CA -0.218 61.080 61.300 -0.004 0.000 1.417 260 I CB 1.647 39.636 38.000 -0.018 0.000 1.396 260 I HN -0.067 nan 8.210 nan 0.000 0.571 261 T N 1.947 116.512 114.554 0.017 0.000 2.809 261 T HA -0.087 4.264 4.350 0.001 0.000 0.260 261 T C 0.516 175.239 174.700 0.038 0.000 1.039 261 T CA 0.844 62.962 62.100 0.030 0.000 1.141 261 T CB -0.413 68.471 68.868 0.026 0.000 0.869 261 T HN 0.806 nan 8.240 nan 0.000 0.437 262 D N 1.279 121.698 120.400 0.030 0.000 2.458 262 D HA 0.048 4.689 4.640 0.001 0.000 0.243 262 D C 1.112 177.450 176.300 0.064 0.000 1.146 262 D CA 0.233 54.256 54.000 0.039 0.000 0.877 262 D CB 0.738 41.553 40.800 0.026 0.000 1.176 262 D HN 0.075 nan 8.370 nan 0.000 0.461 263 K N 2.363 122.815 120.400 0.087 0.000 2.057 263 K HA -0.155 4.166 4.320 0.001 0.000 0.206 263 K C 1.599 178.296 176.600 0.161 0.000 1.050 263 K CA 1.017 57.400 56.287 0.160 0.000 0.935 263 K CB 0.132 32.696 32.500 0.107 0.000 0.715 263 K HN 0.564 nan 8.250 nan 0.000 0.439 264 Q N 0.143 119.988 119.800 0.076 0.000 2.167 264 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 264 Q C 1.645 177.684 176.000 0.064 0.000 0.970 264 Q CA 1.463 57.301 55.803 0.058 0.000 0.855 264 Q CB 0.139 28.893 28.738 0.027 0.000 0.911 264 Q HN 0.418 nan 8.270 nan 0.000 0.438 265 E N -0.002 120.227 120.200 0.049 0.000 2.170 265 E HA -0.090 4.261 4.350 0.001 0.000 0.191 265 E C 1.921 178.525 176.600 0.007 0.000 0.981 265 E CA 0.252 56.667 56.400 0.024 0.000 0.830 265 E CB 0.115 29.821 29.700 0.011 0.000 0.775 265 E HN 0.159 nan 8.360 nan 0.000 0.470 266 R N -0.090 120.418 120.500 0.014 0.000 2.062 266 R HA -0.074 4.266 4.340 0.001 0.000 0.226 266 R C 1.790 178.016 176.300 -0.123 0.000 1.125 266 R CA 0.986 57.032 56.100 -0.091 0.000 0.966 266 R CB -0.070 30.153 30.300 -0.127 0.000 0.861 266 R HN 0.157 nan 8.270 nan 0.000 0.433 267 Y N 0.051 120.305 120.300 -0.077 0.000 2.293 267 Y HA -0.083 4.468 4.550 0.002 0.000 0.291 267 Y C 2.279 178.157 175.900 -0.035 0.000 1.137 267 Y CA 1.268 59.338 58.100 -0.050 0.000 1.202 267 Y CB 0.001 38.454 38.460 -0.011 0.000 0.990 267 Y HN 0.264 nan 8.280 nan 0.000 0.537 268 A N -0.655 122.230 122.820 0.110 0.000 1.929 268 A HA -0.192 4.128 4.320 0.001 0.000 0.216 268 A C 2.027 179.618 177.584 0.013 0.000 1.176 268 A CA 1.567 53.638 52.037 0.056 0.000 0.628 268 A CB -0.487 18.540 19.000 0.045 0.000 0.816 268 A HN 0.399 nan 8.150 nan 0.000 0.444 269 Q N -0.403 119.385 119.800 -0.019 0.000 2.049 269 Q HA -0.050 4.291 4.340 0.001 0.000 0.198 269 Q C 1.867 177.830 176.000 -0.062 0.000 0.971 269 Q CA 1.924 57.701 55.803 -0.042 0.000 0.833 269 Q CB -0.664 28.037 28.738 -0.062 0.000 0.896 269 Q HN 0.277 nan 8.270 nan 0.000 0.434 270 V N 0.917 120.759 119.914 -0.119 0.000 2.720 270 V HA -0.208 3.913 4.120 0.001 0.000 0.256 270 V C 1.448 177.515 176.094 -0.046 0.000 1.082 270 V CA 2.319 64.542 62.300 -0.129 0.000 1.101 270 V CB -0.360 31.294 31.823 -0.282 0.000 0.693 270 V HN 0.516 nan 8.190 nan 0.000 0.479 271 D N -1.111 119.278 120.400 -0.018 0.000 2.194 271 D HA -0.100 4.541 4.640 0.001 0.000 0.204 271 D C 2.012 178.321 176.300 0.015 0.000 0.964 271 D CA 1.294 55.304 54.000 0.016 0.000 0.846 271 D CB 0.107 40.931 40.800 0.039 0.000 0.962 271 D HN 0.324 nan 8.370 nan 0.000 0.490 272 V N 0.291 120.208 119.914 0.005 0.000 2.358 272 V HA -0.188 3.933 4.120 0.001 0.000 0.246 272 V C 2.347 178.446 176.094 0.008 0.000 1.047 272 V CA 1.128 63.432 62.300 0.007 0.000 1.035 272 V CB -0.346 31.479 31.823 0.002 0.000 0.658 272 V HN 0.214 nan 8.190 nan 0.000 0.452 273 I N -0.220 120.352 120.570 0.003 0.000 2.179 273 I HA -0.241 3.930 4.170 0.001 0.000 0.242 273 I C 2.464 178.593 176.117 0.020 0.000 1.088 273 I CA 1.782 63.087 61.300 0.010 0.000 1.357 273 I CB -0.453 37.552 38.000 0.008 0.000 1.051 273 I HN 0.192 nan 8.210 nan 0.000 0.409 274 K N -0.042 120.373 120.400 0.024 0.000 2.026 274 K HA -0.101 4.219 4.320 0.001 0.000 0.208 274 K C 2.283 178.901 176.600 0.031 0.000 1.048 274 K CA 1.742 58.050 56.287 0.035 0.000 0.929 274 K CB -0.222 32.304 32.500 0.044 0.000 0.713 274 K HN 0.201 nan 8.250 nan 0.000 0.439 275 S N 0.923 116.639 115.700 0.026 0.000 2.383 275 S HA -0.142 4.329 4.470 0.001 0.000 0.227 275 S C 1.883 176.495 174.600 0.021 0.000 1.026 275 S CA 1.035 59.250 58.200 0.024 0.000 0.981 275 S CB -0.051 63.163 63.200 0.023 0.000 0.818 275 S HN 0.334 nan 8.310 nan 0.000 0.472 276 E N 0.599 120.810 120.200 0.018 0.000 2.107 276 E HA -0.094 4.257 4.350 0.001 0.000 0.191 276 E C 1.691 178.301 176.600 0.016 0.000 0.982 276 E CA 1.159 57.569 56.400 0.015 0.000 0.809 276 E CB 0.010 29.717 29.700 0.013 0.000 0.756 276 E HN 0.410 nan 8.360 nan 0.000 0.459 277 T N 1.058 115.623 114.554 0.019 0.000 2.777 277 T HA -0.107 4.244 4.350 0.001 0.000 0.266 277 T C 1.863 176.576 174.700 0.020 0.000 1.040 277 T CA 1.086 63.198 62.100 0.020 0.000 1.141 277 T CB -0.125 68.757 68.868 0.023 0.000 0.868 277 T HN 0.164 nan 8.240 nan 0.000 0.444 278 I N 1.397 121.981 120.570 0.023 0.000 2.252 278 I HA -0.136 4.035 4.170 0.001 0.000 0.245 278 I C 2.907 179.035 176.117 0.019 0.000 1.102 278 I CA 1.019 62.332 61.300 0.023 0.000 1.385 278 I CB -0.441 37.574 38.000 0.026 0.000 1.064 278 I HN 0.184 nan 8.210 nan 0.000 0.414 279 A N 0.342 123.173 122.820 0.018 0.000 1.972 279 A HA -0.173 4.148 4.320 0.001 0.000 0.219 279 A C 2.362 179.954 177.584 0.013 0.000 1.169 279 A CA 2.289 54.335 52.037 0.015 0.000 0.635 279 A CB -0.960 18.048 19.000 0.014 0.000 0.810 279 A HN 0.401 nan 8.150 nan 0.000 0.446 280 T N 0.157 114.719 114.554 0.013 0.000 2.857 280 T HA 0.017 4.367 4.350 0.001 0.000 0.266 280 T C 1.745 176.452 174.700 0.012 0.000 1.048 280 T CA 1.227 63.334 62.100 0.012 0.000 1.139 280 T CB -0.269 68.606 68.868 0.011 0.000 0.874 280 T HN 0.340 nan 8.240 nan 0.000 0.455 281 L N 0.382 121.613 121.223 0.013 0.000 2.217 281 L HA 0.103 4.444 4.340 0.001 0.000 0.211 281 L C 2.239 179.117 176.870 0.012 0.000 1.107 281 L CA 0.777 55.624 54.840 0.013 0.000 0.783 281 L CB -0.426 41.642 42.059 0.015 0.000 0.919 281 L HN 0.239 nan 8.230 nan 0.000 0.442 282 L N -0.774 120.457 121.223 0.013 0.000 2.217 282 L HA -0.076 4.265 4.340 0.001 0.000 0.211 282 L C 2.700 179.576 176.870 0.010 0.000 1.107 282 L CA 0.731 55.579 54.840 0.012 0.000 0.783 282 L CB -0.577 41.490 42.059 0.013 0.000 0.919 282 L HN 0.206 nan 8.230 nan 0.000 0.442 283 A N -0.515 122.311 122.820 0.010 0.000 2.014 283 A HA -0.105 4.216 4.320 0.001 0.000 0.218 283 A C 2.166 179.755 177.584 0.008 0.000 1.163 283 A CA 0.898 52.940 52.037 0.009 0.000 0.652 283 A CB -0.116 18.889 19.000 0.008 0.000 0.808 283 A HN 0.269 nan 8.150 nan 0.000 0.449 284 E N 0.849 121.054 120.200 0.008 0.000 2.016 284 E HA -0.056 4.295 4.350 0.001 0.000 0.190 284 E C -0.307 176.297 176.600 0.007 0.000 0.985 284 E CA 1.360 57.764 56.400 0.007 0.000 0.802 284 E CB -0.204 29.501 29.700 0.008 0.000 0.762 284 E HN 0.842 nan 8.360 nan 0.000 0.448 285 D N -1.059 119.346 120.400 0.007 0.000 2.927 285 D HA 0.023 4.664 4.640 0.001 0.000 0.219 285 D C -0.200 176.105 176.300 0.008 0.000 1.248 285 D CA -0.501 53.503 54.000 0.007 0.000 0.861 285 D CB 0.479 41.283 40.800 0.006 0.000 1.677 285 D HN 0.039 nan 8.370 nan 0.000 0.511 286 E N -0.128 120.076 120.200 0.007 0.000 2.437 286 E HA 0.014 4.365 4.350 0.001 0.000 0.189 286 E C 0.401 177.006 176.600 0.008 0.000 1.054 286 E CA 0.006 56.411 56.400 0.008 0.000 0.874 286 E CB -0.221 29.483 29.700 0.008 0.000 1.011 286 E HN 0.477 nan 8.360 nan 0.000 0.474 287 T N -1.337 113.221 114.554 0.007 0.000 3.081 287 T HA 0.170 4.521 4.350 0.001 0.000 0.255 287 T C 0.893 175.598 174.700 0.007 0.000 1.113 287 T CA -0.289 61.815 62.100 0.006 0.000 1.082 287 T CB -0.150 68.721 68.868 0.005 0.000 0.939 287 T HN 0.049 nan 8.240 nan 0.000 0.506 288 L N 1.807 123.035 121.223 0.009 0.000 2.464 288 L HA 0.410 4.750 4.340 0.001 0.000 0.264 288 L C 0.365 177.243 176.870 0.013 0.000 1.199 288 L CA -0.581 54.265 54.840 0.011 0.000 0.818 288 L CB 0.317 42.383 42.059 0.012 0.000 1.102 288 L HN 0.134 nan 8.230 nan 0.000 0.473 289 D N -0.143 120.265 120.400 0.014 0.000 2.210 289 D HA 0.069 4.710 4.640 0.001 0.000 0.249 289 D C 0.583 176.896 176.300 0.021 0.000 1.078 289 D CA -0.273 53.737 54.000 0.017 0.000 0.875 289 D CB 1.593 42.403 40.800 0.017 0.000 1.175 289 D HN 0.479 nan 8.370 nan 0.000 0.440 290 E N 2.239 122.453 120.200 0.023 0.000 2.072 290 E HA -0.123 4.227 4.350 0.001 0.000 0.190 290 E C 1.042 177.661 176.600 0.033 0.000 0.982 290 E CA 1.327 57.743 56.400 0.027 0.000 0.803 290 E CB 0.054 29.770 29.700 0.026 0.000 0.755 290 E HN 0.429 nan 8.360 nan 0.000 0.453 291 N N 0.488 119.209 118.700 0.033 0.000 2.270 291 N HA -0.136 4.605 4.740 0.001 0.000 0.181 291 N C 1.604 177.139 175.510 0.043 0.000 1.016 291 N CA 1.006 54.080 53.050 0.040 0.000 0.870 291 N CB -0.147 38.364 38.487 0.039 0.000 0.979 291 N HN 0.394 nan 8.380 nan 0.000 0.431 292 E N 0.904 121.126 120.200 0.037 0.000 2.072 292 E HA -0.038 4.313 4.350 0.001 0.000 0.190 292 E C 1.898 178.522 176.600 0.041 0.000 0.982 292 E CA 0.473 56.896 56.400 0.037 0.000 0.803 292 E CB 0.076 29.793 29.700 0.028 0.000 0.755 292 E HN 0.232 nan 8.360 nan 0.000 0.453 293 L N -0.111 121.135 121.223 0.037 0.000 2.093 293 L HA -0.025 4.316 4.340 0.001 0.000 0.208 293 L C 2.543 179.443 176.870 0.049 0.000 1.085 293 L CA 1.086 55.949 54.840 0.038 0.000 0.755 293 L CB -0.353 41.725 42.059 0.032 0.000 0.904 293 L HN 0.259 nan 8.230 nan 0.000 0.435 294 G N -0.905 107.927 108.800 0.053 0.000 2.484 294 G HA2 -0.220 3.741 3.960 0.001 0.000 0.218 294 G HA3 -0.220 3.741 3.960 0.001 0.000 0.218 294 G C 1.455 176.407 174.900 0.087 0.000 1.130 294 G CA 0.370 45.509 45.100 0.065 0.000 0.784 294 G HN 0.414 nan 8.290 nan 0.000 0.543 295 E N 0.092 120.340 120.200 0.080 0.000 2.107 295 E HA -0.035 4.315 4.350 0.001 0.000 0.191 295 E C 2.319 178.991 176.600 0.119 0.000 0.982 295 E CA 0.416 56.876 56.400 0.099 0.000 0.809 295 E CB -0.108 29.640 29.700 0.080 0.000 0.756 295 E HN 0.535 nan 8.360 nan 0.000 0.459 296 I N 0.739 121.360 120.570 0.085 0.000 2.353 296 I HA -0.218 3.953 4.170 0.001 0.000 0.248 296 I C 2.267 178.426 176.117 0.070 0.000 1.119 296 I CA 0.578 61.919 61.300 0.068 0.000 1.417 296 I CB -0.172 37.855 38.000 0.046 0.000 1.078 296 I HN 0.122 nan 8.210 nan 0.000 0.421 297 L N 0.179 121.450 121.223 0.080 0.000 2.083 297 L HA -0.252 4.089 4.340 0.001 0.000 0.209 297 L C 2.708 179.637 176.870 0.098 0.000 1.083 297 L CA 1.568 56.455 54.840 0.079 0.000 0.752 297 L CB -0.783 41.324 42.059 0.081 0.000 0.899 297 L HN 0.327 nan 8.230 nan 0.000 0.433 298 H N -0.363 118.729 119.070 0.036 0.000 2.428 298 H HA -0.008 4.549 4.556 0.001 0.000 0.296 298 H C 2.086 177.426 175.328 0.021 0.000 1.062 298 H CA 1.112 57.182 56.048 0.036 0.000 1.350 298 H CB 0.255 30.044 29.762 0.045 0.000 1.403 298 H HN 0.265 nan 8.280 nan 0.000 0.533 299 A N 0.167 123.019 122.820 0.054 0.000 1.970 299 A HA 0.008 4.328 4.320 0.001 0.000 0.216 299 A C 2.326 179.879 177.584 -0.052 0.000 1.170 299 A CA 1.109 53.146 52.037 -0.000 0.000 0.645 299 A CB -0.462 18.569 19.000 0.052 0.000 0.816 299 A HN 0.468 nan 8.150 nan 0.000 0.447 300 I N 0.329 120.878 120.570 -0.035 0.000 2.233 300 I HA -0.242 3.929 4.170 0.001 0.000 0.243 300 I C 2.559 178.621 176.117 -0.092 0.000 1.093 300 I CA 1.625 62.899 61.300 -0.043 0.000 1.380 300 I CB -0.391 37.603 38.000 -0.010 0.000 1.067 300 I HN 0.607 nan 8.210 nan 0.000 0.413 301 E N 1.659 121.789 120.200 -0.115 0.000 2.265 301 E HA -0.281 4.070 4.350 0.001 0.000 0.196 301 E C 2.067 178.446 176.600 -0.369 0.000 0.996 301 E CA 1.061 57.331 56.400 -0.216 0.000 0.832 301 E CB -0.277 29.364 29.700 -0.099 0.000 0.756 301 E HN 0.434 nan 8.360 nan 0.000 0.491 302 K N 0.915 121.133 120.400 -0.303 0.000 2.103 302 K HA -0.155 4.166 4.320 0.001 0.000 0.204 302 K C 1.991 178.480 176.600 -0.185 0.000 1.052 302 K CA 1.365 57.491 56.287 -0.268 0.000 0.945 302 K CB -0.028 32.333 32.500 -0.232 0.000 0.722 302 K HN 0.037 nan 8.250 nan 0.000 0.443 303 N N 0.162 118.777 118.700 -0.141 0.000 2.270 303 N HA -0.104 4.637 4.740 0.001 0.000 0.181 303 N C 1.453 176.900 175.510 -0.106 0.000 1.016 303 N CA 0.913 53.905 53.050 -0.097 0.000 0.870 303 N CB 0.137 38.586 38.487 -0.064 0.000 0.979 303 N HN -0.002 nan 8.380 nan 0.000 0.431 304 V N -0.412 119.417 119.914 -0.142 0.000 2.307 304 V HA -0.140 3.981 4.120 0.001 0.000 0.245 304 V C 2.246 178.249 176.094 -0.152 0.000 1.045 304 V CA 1.245 63.466 62.300 -0.132 0.000 1.024 304 V CB -0.455 31.289 31.823 -0.132 0.000 0.651 304 V HN 0.132 nan 8.190 nan 0.000 0.449 305 V N -0.063 119.704 119.914 -0.244 0.000 2.307 305 V HA -0.218 3.902 4.120 0.001 0.000 0.245 305 V C 2.566 178.592 176.094 -0.114 0.000 1.045 305 V CA 1.970 64.146 62.300 -0.207 0.000 1.024 305 V CB -0.788 30.854 31.823 -0.301 0.000 0.651 305 V HN 0.436 nan 8.190 nan 0.000 0.449 306 R N 0.891 121.327 120.500 -0.108 0.000 2.096 306 R HA -0.133 4.208 4.340 0.001 0.000 0.235 306 R C 2.600 178.869 176.300 -0.051 0.000 1.127 306 R CA 1.691 57.752 56.100 -0.066 0.000 0.968 306 R CB -0.482 29.783 30.300 -0.058 0.000 0.861 306 R HN 0.711 nan 8.270 nan 0.000 0.440 307 S N 0.464 116.130 115.700 -0.056 0.000 2.387 307 S HA -0.085 4.386 4.470 0.001 0.000 0.226 307 S C 1.927 176.505 174.600 -0.037 0.000 1.026 307 S CA 0.565 58.740 58.200 -0.042 0.000 0.972 307 S CB -0.124 63.052 63.200 -0.040 0.000 0.814 307 S HN 0.248 nan 8.310 nan 0.000 0.477 308 R N 0.521 120.997 120.500 -0.040 0.000 2.115 308 R HA 0.084 4.425 4.340 0.001 0.000 0.230 308 R C 2.216 178.500 176.300 -0.026 0.000 1.111 308 R CA 1.223 57.306 56.100 -0.029 0.000 0.976 308 R CB -0.545 29.741 30.300 -0.023 0.000 0.870 308 R HN 0.349 nan 8.270 nan 0.000 0.445 309 V N 1.201 121.097 119.914 -0.030 0.000 2.379 309 V HA -0.182 3.939 4.120 0.001 0.000 0.245 309 V C 2.187 178.260 176.094 -0.034 0.000 1.044 309 V CA 1.469 63.753 62.300 -0.027 0.000 1.036 309 V CB -0.293 31.516 31.823 -0.023 0.000 0.664 309 V HN 0.262 nan 8.190 nan 0.000 0.453 310 L N 0.115 121.316 121.223 -0.036 0.000 2.141 310 L HA -0.071 4.270 4.340 0.001 0.000 0.209 310 L C 2.591 179.434 176.870 -0.045 0.000 1.094 310 L CA 1.327 56.141 54.840 -0.043 0.000 0.763 310 L CB -0.607 41.431 42.059 -0.035 0.000 0.908 310 L HN 0.344 nan 8.230 nan 0.000 0.437 311 A N -0.712 122.087 122.820 -0.036 0.000 2.014 311 A HA 0.157 4.478 4.320 0.001 0.000 0.218 311 A C 1.868 179.432 177.584 -0.034 0.000 1.163 311 A CA 1.241 53.258 52.037 -0.033 0.000 0.652 311 A CB -0.353 18.631 19.000 -0.026 0.000 0.808 311 A HN 0.517 nan 8.150 nan 0.000 0.449 312 G N -1.226 107.553 108.800 -0.034 0.000 2.192 312 G HA2 -0.162 3.799 3.960 0.001 0.000 0.193 312 G HA3 -0.162 3.799 3.960 0.001 0.000 0.193 312 G C -0.142 174.744 174.900 -0.023 0.000 0.999 312 G CA 0.107 45.188 45.100 -0.033 0.000 0.659 312 G HN 0.552 nan 8.290 nan 0.000 0.503 313 E N 1.537 121.726 120.200 -0.019 0.000 2.373 313 E HA 0.380 4.731 4.350 0.001 0.000 0.267 313 E C -2.151 174.445 176.600 -0.007 0.000 1.032 313 E CA -1.549 54.844 56.400 -0.011 0.000 0.889 313 E CB 0.751 30.446 29.700 -0.009 0.000 0.984 313 E HN 0.159 nan 8.360 nan 0.000 0.425 314 P HA -0.019 nan 4.420 nan 0.000 0.267 314 P C -0.259 177.048 177.300 0.011 0.000 1.200 314 P CA 0.306 63.408 63.100 0.003 0.000 0.772 314 P CB 0.630 32.333 31.700 0.005 0.000 0.855 315 R N 1.370 121.880 120.500 0.017 0.000 2.745 315 R HA 0.218 4.559 4.340 0.001 0.000 0.251 315 R C 1.898 178.225 176.300 0.047 0.000 1.257 315 R CA -0.425 55.693 56.100 0.030 0.000 1.102 315 R CB -0.255 30.064 30.300 0.032 0.000 1.151 315 R HN 0.474 nan 8.270 nan 0.000 0.571 316 I N -1.974 118.639 120.570 0.071 0.000 2.614 316 I HA -0.115 4.055 4.170 0.001 0.000 0.258 316 I C 0.552 176.707 176.117 0.063 0.000 1.189 316 I CA 1.342 62.695 61.300 0.088 0.000 1.462 316 I CB -0.210 37.874 38.000 0.140 0.000 1.092 316 I HN 0.304 nan 8.210 nan 0.000 0.442 317 D N 1.745 122.178 120.400 0.054 0.000 2.347 317 D HA 0.115 4.756 4.640 0.001 0.000 0.213 317 D C 1.524 177.842 176.300 0.030 0.000 0.985 317 D CA 1.186 55.211 54.000 0.042 0.000 0.879 317 D CB 0.213 41.038 40.800 0.041 0.000 0.919 317 D HN 0.562 nan 8.370 nan 0.000 0.526 318 G N 1.516 110.332 108.800 0.027 0.000 2.326 318 G HA2 -0.301 3.660 3.960 0.001 0.000 0.286 318 G HA3 -0.301 3.660 3.960 0.001 0.000 0.286 318 G C 0.116 175.023 174.900 0.013 0.000 1.096 318 G CA 0.186 45.297 45.100 0.018 0.000 1.003 318 G HN 0.384 nan 8.290 nan 0.000 0.503 319 R N -0.590 119.917 120.500 0.013 0.000 2.725 319 R HA 0.522 4.862 4.340 0.001 0.000 0.277 319 R C -0.094 176.207 176.300 0.002 0.000 0.987 319 R CA -0.936 55.168 56.100 0.007 0.000 0.901 319 R CB 1.171 31.478 30.300 0.012 0.000 1.207 319 R HN 0.147 nan 8.270 nan 0.000 0.463 320 E N 2.055 122.251 120.200 -0.006 0.000 2.376 320 E HA 0.007 4.358 4.350 0.001 0.000 0.254 320 E C 0.434 177.028 176.600 -0.010 0.000 1.213 320 E CA -0.044 56.350 56.400 -0.010 0.000 0.945 320 E CB 0.742 30.432 29.700 -0.016 0.000 1.057 320 E HN 0.637 nan 8.360 nan 0.000 0.479 321 K N 0.202 120.594 120.400 -0.014 0.000 2.211 321 K HA -0.141 4.179 4.320 0.001 0.000 0.203 321 K C 0.601 177.196 176.600 -0.008 0.000 1.050 321 K CA 1.794 58.074 56.287 -0.012 0.000 0.945 321 K CB 0.051 32.537 32.500 -0.023 0.000 0.732 321 K HN 0.268 nan 8.250 nan 0.000 0.451 322 D N 0.074 120.465 120.400 -0.014 0.000 2.423 322 D HA -0.006 4.635 4.640 0.001 0.000 0.212 322 D C 0.908 177.190 176.300 -0.030 0.000 1.060 322 D CA -0.204 53.787 54.000 -0.015 0.000 0.872 322 D CB -0.218 40.572 40.800 -0.016 0.000 1.012 322 D HN 0.155 nan 8.370 nan 0.000 0.503 323 M N 1.850 121.428 119.600 -0.036 0.000 2.260 323 M HA 0.149 4.630 4.480 0.001 0.000 0.348 323 M C -0.304 175.964 176.300 -0.053 0.000 1.342 323 M CA -0.000 55.265 55.300 -0.058 0.000 1.040 323 M CB 0.329 32.904 32.600 -0.041 0.000 1.810 323 M HN 0.126 nan 8.290 nan 0.000 0.453 324 I N 2.369 122.881 120.570 -0.097 0.000 2.460 324 I HA 0.541 4.712 4.170 0.001 0.000 0.298 324 I C -0.339 175.760 176.117 -0.029 0.000 0.989 324 I CA -1.174 60.093 61.300 -0.055 0.000 1.173 324 I CB 1.500 39.467 38.000 -0.055 0.000 1.338 324 I HN 0.681 nan 8.210 nan 0.000 0.456 325 R N 2.885 123.397 120.500 0.020 0.000 2.861 325 R HA 0.284 4.625 4.340 0.001 0.000 0.268 325 R C 0.650 176.978 176.300 0.047 0.000 1.027 325 R CA 0.554 56.672 56.100 0.031 0.000 1.163 325 R CB 0.262 30.585 30.300 0.038 0.000 1.060 325 R HN 0.963 nan 8.270 nan 0.000 0.483 326 G N 1.063 109.882 108.800 0.031 0.000 2.554 326 G HA2 0.315 4.276 3.960 0.001 0.000 0.238 326 G HA3 0.315 4.276 3.960 0.001 0.000 0.238 326 G C -0.665 174.227 174.900 -0.014 0.000 1.259 326 G CA -0.444 44.673 45.100 0.029 0.000 0.843 326 G HN 0.287 nan 8.290 nan 0.000 0.582 327 L N 0.892 122.097 121.223 -0.030 0.000 2.362 327 L HA 0.472 4.813 4.340 0.001 0.000 0.271 327 L C -0.942 175.828 176.870 -0.167 0.000 1.002 327 L CA -0.922 53.834 54.840 -0.140 0.000 0.818 327 L CB 2.529 44.543 42.059 -0.076 0.000 1.298 327 L HN 0.421 nan 8.230 nan 0.000 0.420 328 D N 1.941 122.168 120.400 -0.288 0.000 2.542 328 D HA 0.428 5.069 4.640 0.001 0.000 0.252 328 D C -1.423 174.743 176.300 -0.224 0.000 1.222 328 D CA -0.204 53.676 54.000 -0.199 0.000 0.895 328 D CB 2.101 42.810 40.800 -0.151 0.000 1.207 328 D HN 0.084 nan 8.370 nan 0.000 0.558 329 V N 5.277 125.136 119.914 -0.091 0.000 2.357 329 V HA 0.569 4.690 4.120 0.001 0.000 0.284 329 V C 0.226 176.337 176.094 0.029 0.000 1.018 329 V CA -0.580 61.732 62.300 0.019 0.000 0.841 329 V CB 1.356 33.236 31.823 0.094 0.000 0.991 329 V HN 0.395 nan 8.190 nan 0.000 0.437 330 R N 2.669 123.199 120.500 0.050 0.000 2.575 330 R HA 0.770 5.110 4.340 0.001 0.000 0.293 330 R C -1.094 175.237 176.300 0.051 0.000 0.983 330 R CA -0.570 55.552 56.100 0.036 0.000 0.887 330 R CB 2.568 32.878 30.300 0.017 0.000 1.184 330 R HN 0.704 nan 8.270 nan 0.000 0.445 331 T N 0.140 114.717 114.554 0.037 0.000 2.916 331 T HA 0.521 4.872 4.350 0.001 0.000 0.298 331 T C 0.323 175.036 174.700 0.021 0.000 1.031 331 T CA -0.273 61.849 62.100 0.035 0.000 0.993 331 T CB 1.870 70.760 68.868 0.037 0.000 1.045 331 T HN 0.826 nan 8.240 nan 0.000 0.454 332 G N 1.269 110.080 108.800 0.018 0.000 2.207 332 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 332 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 332 G C 0.601 175.504 174.900 0.005 0.000 1.053 332 G CA 0.075 45.181 45.100 0.010 0.000 0.764 332 G HN 0.645 nan 8.290 nan 0.000 0.495 333 V N 0.256 120.174 119.914 0.007 0.000 2.302 333 V HA 0.180 4.300 4.120 0.001 0.000 0.243 333 V C 1.951 178.041 176.094 -0.006 0.000 1.036 333 V CA 1.498 63.798 62.300 0.001 0.000 1.020 333 V CB -0.248 31.579 31.823 0.005 0.000 0.657 333 V HN 0.467 nan 8.190 nan 0.000 0.453 334 L N 2.554 123.773 121.223 -0.007 0.000 2.410 334 L HA 0.166 4.507 4.340 0.001 0.000 0.273 334 L C -1.319 175.538 176.870 -0.022 0.000 1.152 334 L CA -0.838 53.992 54.840 -0.017 0.000 0.855 334 L CB 0.256 42.304 42.059 -0.018 0.000 1.129 334 L HN 0.211 nan 8.230 nan 0.000 0.463 335 P HA 0.107 nan 4.420 nan 0.000 0.262 335 P C 0.571 177.845 177.300 -0.043 0.000 1.304 335 P CA 0.188 63.270 63.100 -0.030 0.000 0.859 335 P CB 0.582 32.267 31.700 -0.025 0.000 1.310 336 R N -2.008 118.456 120.500 -0.060 0.000 2.504 336 R HA 0.165 4.506 4.340 0.001 0.000 0.341 336 R C 0.262 176.473 176.300 -0.149 0.000 0.905 336 R CA 0.189 56.235 56.100 -0.090 0.000 1.133 336 R CB 0.080 30.336 30.300 -0.073 0.000 1.704 336 R HN 0.070 nan 8.270 nan 0.000 0.503 337 T N -0.834 113.647 114.554 -0.121 0.000 2.882 337 T HA 0.195 4.546 4.350 0.001 0.000 0.287 337 T C 1.166 175.789 174.700 -0.128 0.000 0.992 337 T CA -0.110 61.901 62.100 -0.147 0.000 1.076 337 T CB 0.953 69.786 68.868 -0.059 0.000 0.961 337 T HN 0.262 nan 8.240 nan 0.000 0.490 338 H N 2.266 121.334 119.070 -0.003 0.000 2.390 338 H HA 0.143 4.699 4.556 -0.000 0.000 0.298 338 H C 1.262 176.590 175.328 0.000 0.000 1.106 338 H CA 1.314 57.362 56.048 -0.000 0.000 1.297 338 H CB 0.175 29.941 29.762 0.006 0.000 1.375 338 H HN 0.638 nan 8.280 nan 0.000 0.509 339 G N -0.785 108.081 108.800 0.110 0.000 2.740 339 G HA2 0.483 4.444 3.960 0.001 0.000 0.296 339 G HA3 0.483 4.444 3.960 0.001 0.000 0.296 339 G C -1.254 173.665 174.900 0.031 0.000 1.439 339 G CA -0.421 44.715 45.100 0.060 0.000 1.066 339 G HN 0.256 nan 8.290 nan 0.000 0.527 340 S N -0.214 115.500 115.700 0.024 0.000 2.547 340 S HA 0.907 5.378 4.470 0.001 0.000 0.281 340 S C -0.502 174.115 174.600 0.029 0.000 1.118 340 S CA -0.442 57.769 58.200 0.019 0.000 0.947 340 S CB 2.142 65.347 63.200 0.009 0.000 1.053 340 S HN 2.062 nan 8.310 nan 0.000 0.482 341 A N 1.791 124.634 122.820 0.038 0.000 2.488 341 A HA 0.781 5.102 4.320 0.001 0.000 0.298 341 A C -1.661 175.971 177.584 0.080 0.000 1.044 341 A CA -0.674 51.400 52.037 0.063 0.000 0.693 341 A CB 1.619 20.661 19.000 0.071 0.000 1.272 341 A HN 1.271 nan 8.150 nan 0.000 0.402 342 L N 2.285 123.567 121.223 0.097 0.000 2.342 342 L HA 0.792 5.133 4.340 0.001 0.000 0.276 342 L C -1.678 175.287 176.870 0.159 0.000 0.997 342 L CA -0.421 54.479 54.840 0.100 0.000 0.838 342 L CB 0.784 42.872 42.059 0.048 0.000 1.224 342 L HN 0.615 nan 8.230 nan 0.000 0.416 343 F N 3.614 123.579 119.950 0.024 0.000 2.482 343 F HA 0.792 5.318 4.527 -0.000 0.000 0.331 343 F C -0.442 175.375 175.800 0.028 0.000 1.115 343 F CA -0.048 57.970 58.000 0.030 0.000 0.955 343 F CB 1.969 40.994 39.000 0.043 0.000 1.136 343 F HN 0.504 nan 8.300 nan 0.000 0.452 344 T N 5.903 120.093 114.554 -0.607 0.000 2.921 344 T HA 0.428 4.779 4.350 0.001 0.000 0.297 344 T C -1.090 173.291 174.700 -0.532 0.000 1.013 344 T CA -0.742 61.133 62.100 -0.376 0.000 0.990 344 T CB 1.653 70.402 68.868 -0.199 0.000 1.023 344 T HN 0.655 nan 8.240 nan 0.000 0.447 345 R N 1.803 122.162 120.500 -0.235 0.000 2.467 345 R HA 0.539 4.880 4.340 0.001 0.000 0.299 345 R C 1.058 177.344 176.300 -0.023 0.000 1.120 345 R CA 0.503 56.534 56.100 -0.114 0.000 0.940 345 R CB 0.117 30.454 30.300 0.060 0.000 1.161 345 R HN 0.968 nan 8.270 nan 0.000 0.506 346 G N 2.382 111.165 108.800 -0.029 0.000 4.610 346 G HA2 -0.485 3.476 3.960 0.001 0.000 0.323 346 G HA3 -0.485 3.476 3.960 0.001 0.000 0.323 346 G C 0.359 175.257 174.900 -0.003 0.000 1.377 346 G CA 0.709 45.809 45.100 -0.001 0.000 1.023 346 G HN 0.732 nan 8.290 nan 0.000 0.755 347 E N -0.563 119.644 120.200 0.011 0.000 2.945 347 E HA 0.581 4.932 4.350 0.001 0.000 0.196 347 E C 0.415 177.023 176.600 0.013 0.000 0.965 347 E CA 1.449 57.855 56.400 0.010 0.000 1.270 347 E CB 0.418 30.131 29.700 0.021 0.000 1.045 347 E HN 1.271 nan 8.360 nan 0.000 0.474 348 T N -0.298 114.268 114.554 0.020 0.000 2.829 348 T HA 0.588 4.939 4.350 0.001 0.000 0.280 348 T C -0.793 173.927 174.700 0.033 0.000 0.999 348 T CA -0.326 61.793 62.100 0.032 0.000 0.983 348 T CB 1.453 70.361 68.868 0.066 0.000 0.968 348 T HN 0.328 nan 8.240 nan 0.000 0.446 349 Q N 2.493 122.311 119.800 0.029 0.000 2.331 349 Q HA 0.716 5.056 4.340 0.001 0.000 0.272 349 Q C -1.899 174.136 176.000 0.058 0.000 1.062 349 Q CA -0.940 54.888 55.803 0.042 0.000 0.806 349 Q CB 1.929 30.675 28.738 0.013 0.000 1.312 349 Q HN 0.813 nan 8.270 nan 0.000 0.431 350 A N 3.734 126.623 122.820 0.115 0.000 2.385 350 A HA 0.496 4.817 4.320 0.001 0.000 0.290 350 A C -1.728 175.919 177.584 0.104 0.000 1.094 350 A CA -0.580 51.515 52.037 0.098 0.000 0.729 350 A CB 1.079 20.158 19.000 0.133 0.000 1.194 350 A HN 0.662 nan 8.150 nan 0.000 0.442 351 L N 4.215 125.474 121.223 0.059 0.000 2.295 351 L HA 0.565 4.905 4.340 0.001 0.000 0.288 351 L C -0.828 176.064 176.870 0.037 0.000 1.079 351 L CA 0.119 54.989 54.840 0.051 0.000 0.830 351 L CB 0.819 42.898 42.059 0.032 0.000 1.200 351 L HN 0.406 nan 8.230 nan 0.000 0.438 352 V N 4.002 123.943 119.914 0.046 0.000 2.435 352 V HA 0.619 4.740 4.120 0.001 0.000 0.290 352 V C 0.374 176.465 176.094 -0.004 0.000 1.030 352 V CA -0.331 61.980 62.300 0.018 0.000 0.881 352 V CB 1.667 33.518 31.823 0.045 0.000 0.983 352 V HN 0.859 nan 8.190 nan 0.000 0.445 353 T N 1.505 116.036 114.554 -0.039 0.000 2.932 353 T HA 0.900 5.250 4.350 0.001 0.000 0.289 353 T C -0.441 174.230 174.700 -0.048 0.000 1.039 353 T CA -0.683 61.401 62.100 -0.027 0.000 1.024 353 T CB 2.117 70.974 68.868 -0.019 0.000 1.090 353 T HN 1.116 nan 8.240 nan 0.000 0.496 354 A N 1.912 124.732 122.820 -0.000 0.000 2.381 354 A HA 0.791 5.112 4.320 0.001 0.000 0.299 354 A C -0.032 177.604 177.584 0.087 0.000 1.049 354 A CA -0.922 51.125 52.037 0.016 0.000 0.715 354 A CB 1.269 20.287 19.000 0.031 0.000 1.222 354 A HN 1.244 nan 8.150 nan 0.000 0.428 355 T N 0.435 115.041 114.554 0.086 0.000 2.876 355 T HA 0.740 5.091 4.350 0.001 0.000 0.289 355 T C -0.462 174.237 174.700 -0.002 0.000 1.014 355 T CA -0.617 61.580 62.100 0.162 0.000 0.986 355 T CB 1.059 70.052 68.868 0.208 0.000 1.021 355 T HN 0.462 nan 8.240 nan 0.000 0.458 356 L N 1.565 122.608 121.223 -0.300 0.000 2.334 356 L HA 0.859 5.200 4.340 0.001 0.000 0.275 356 L C 0.758 177.516 176.870 -0.187 0.000 1.036 356 L CA -0.604 54.080 54.840 -0.261 0.000 0.807 356 L CB 1.648 43.464 42.059 -0.405 0.000 1.231 356 L HN 1.067 nan 8.230 nan 0.000 0.438 357 G N -0.251 108.535 108.800 -0.023 0.000 2.682 357 G HA2 0.567 4.528 3.960 0.001 0.000 0.290 357 G HA3 0.567 4.528 3.960 0.001 0.000 0.290 357 G C -0.814 174.140 174.900 0.091 0.000 1.425 357 G CA -0.406 44.711 45.100 0.028 0.000 0.807 357 G HN 0.535 nan 8.290 nan 0.000 0.482 358 T N -1.879 112.716 114.554 0.068 0.000 2.788 358 T HA 0.489 4.839 4.350 0.001 0.000 0.287 358 T C 1.786 176.495 174.700 0.016 0.000 1.007 358 T CA 0.612 62.742 62.100 0.051 0.000 1.005 358 T CB 1.393 70.280 68.868 0.031 0.000 1.012 358 T HN 1.336 nan 8.240 nan 0.000 0.530 359 A N 0.048 122.851 122.820 -0.028 0.000 2.070 359 A HA -0.033 4.288 4.320 0.001 0.000 0.220 359 A C 2.424 180.004 177.584 -0.007 0.000 1.159 359 A CA 1.191 53.208 52.037 -0.033 0.000 0.656 359 A CB -0.797 18.163 19.000 -0.068 0.000 0.800 359 A HN 0.881 nan 8.150 nan 0.000 0.453 360 R N -0.249 120.251 120.500 0.000 0.000 2.148 360 R HA -0.105 4.236 4.340 0.001 0.000 0.223 360 R C 0.337 176.648 176.300 0.019 0.000 1.088 360 R CA 1.309 57.414 56.100 0.009 0.000 0.985 360 R CB -0.155 30.151 30.300 0.009 0.000 0.880 360 R HN 0.352 nan 8.270 nan 0.000 0.451 361 D N 0.683 121.097 120.400 0.024 0.000 2.363 361 D HA 0.039 4.680 4.640 0.001 0.000 0.226 361 D C -0.015 176.308 176.300 0.037 0.000 1.020 361 D CA 0.315 54.334 54.000 0.032 0.000 0.892 361 D CB 0.152 40.974 40.800 0.038 0.000 0.900 361 D HN 0.240 nan 8.370 nan 0.000 0.531 362 A N 0.478 123.319 122.820 0.034 0.000 2.407 362 A HA 0.119 4.439 4.320 0.001 0.000 0.248 362 A C 0.531 178.139 177.584 0.040 0.000 1.082 362 A CA -0.298 51.762 52.037 0.039 0.000 0.785 362 A CB 0.367 19.388 19.000 0.035 0.000 1.020 362 A HN 0.101 nan 8.150 nan 0.000 0.489 363 Q N 1.300 121.127 119.800 0.045 0.000 2.296 363 Q HA 0.377 4.717 4.340 0.001 0.000 0.262 363 Q C -1.125 174.901 176.000 0.042 0.000 0.981 363 Q CA -0.238 55.594 55.803 0.047 0.000 0.905 363 Q CB 0.593 29.364 28.738 0.055 0.000 1.186 363 Q HN 0.505 nan 8.270 nan 0.000 0.399 364 V N 6.941 126.879 119.914 0.039 0.000 2.284 364 V HA 0.199 4.320 4.120 0.001 0.000 0.260 364 V C -0.048 176.069 176.094 0.038 0.000 1.084 364 V CA -0.307 62.014 62.300 0.036 0.000 0.894 364 V CB 0.419 32.262 31.823 0.032 0.000 1.119 364 V HN 0.700 nan 8.190 nan 0.000 0.484 365 L N 3.834 125.080 121.223 0.039 0.000 2.255 365 L HA 0.470 4.810 4.340 0.001 0.000 0.289 365 L C 0.081 176.972 176.870 0.035 0.000 1.046 365 L CA -0.409 54.455 54.840 0.040 0.000 0.816 365 L CB 1.206 43.291 42.059 0.042 0.000 1.197 365 L HN 0.558 nan 8.230 nan 0.000 0.427 366 D N 4.514 124.935 120.400 0.034 0.000 2.453 366 D HA 0.108 4.749 4.640 0.001 0.000 0.223 366 D C 0.002 176.318 176.300 0.027 0.000 1.183 366 D CA -0.056 53.961 54.000 0.029 0.000 0.933 366 D CB 0.521 41.339 40.800 0.030 0.000 1.038 366 D HN 0.470 nan 8.370 nan 0.000 0.513 367 E N 1.627 121.843 120.200 0.027 0.000 2.351 367 E HA 0.096 4.447 4.350 0.001 0.000 0.255 367 E C 0.922 177.532 176.600 0.018 0.000 1.188 367 E CA -0.756 55.660 56.400 0.026 0.000 0.940 367 E CB 1.216 30.934 29.700 0.030 0.000 1.094 367 E HN 0.329 nan 8.360 nan 0.000 0.474 368 L N 0.995 122.227 121.223 0.016 0.000 2.093 368 L HA -0.120 4.221 4.340 0.001 0.000 0.208 368 L C 1.980 178.855 176.870 0.007 0.000 1.085 368 L CA 1.736 56.578 54.840 0.002 0.000 0.755 368 L CB -0.090 41.967 42.059 -0.002 0.000 0.904 368 L HN 0.646 nan 8.230 nan 0.000 0.435 369 M N -1.512 118.097 119.600 0.015 0.000 2.200 369 M HA 0.166 4.647 4.480 0.001 0.000 0.265 369 M C 0.875 177.184 176.300 0.015 0.000 1.066 369 M CA 1.061 56.370 55.300 0.015 0.000 1.127 369 M CB -0.194 32.417 32.600 0.018 0.000 1.379 369 M HN 0.390 nan 8.290 nan 0.000 0.420 370 G N -0.431 108.379 108.800 0.017 0.000 2.325 370 G HA2 0.108 4.069 3.960 0.001 0.000 0.297 370 G HA3 0.108 4.069 3.960 0.001 0.000 0.297 370 G C -1.855 173.057 174.900 0.020 0.000 1.448 370 G CA -0.878 44.233 45.100 0.017 0.000 0.838 370 G HN 0.152 nan 8.290 nan 0.000 0.579 371 E N 0.024 120.236 120.200 0.020 0.000 2.290 371 E HA 0.471 4.821 4.350 0.001 0.000 0.277 371 E C 0.065 176.679 176.600 0.023 0.000 1.035 371 E CA -0.242 56.171 56.400 0.022 0.000 0.873 371 E CB 0.659 30.372 29.700 0.021 0.000 1.029 371 E HN 0.497 nan 8.360 nan 0.000 0.419 372 R N 2.801 123.317 120.500 0.026 0.000 2.621 372 R HA 0.257 4.598 4.340 0.001 0.000 0.284 372 R C -1.144 175.175 176.300 0.032 0.000 0.998 372 R CA -0.559 55.558 56.100 0.028 0.000 0.895 372 R CB 1.636 31.954 30.300 0.030 0.000 1.195 372 R HN 0.665 nan 8.270 nan 0.000 0.450 373 T N -0.233 114.340 114.554 0.031 0.000 2.845 373 T HA 0.271 4.622 4.350 0.001 0.000 0.288 373 T C -0.349 174.377 174.700 0.045 0.000 0.980 373 T CA -0.775 61.346 62.100 0.035 0.000 1.071 373 T CB 1.576 70.461 68.868 0.029 0.000 0.941 373 T HN 0.406 nan 8.240 nan 0.000 0.487 374 D N 1.198 121.629 120.400 0.051 0.000 2.308 374 D HA 0.416 5.057 4.640 0.001 0.000 0.242 374 D C 0.831 177.176 176.300 0.077 0.000 1.059 374 D CA -0.551 53.489 54.000 0.066 0.000 0.830 374 D CB 1.850 42.685 40.800 0.059 0.000 1.161 374 D HN 0.574 nan 8.370 nan 0.000 0.494 375 T N 2.573 117.192 114.554 0.109 0.000 2.953 375 T HA 0.073 4.424 4.350 0.001 0.000 0.247 375 T C 0.571 175.386 174.700 0.192 0.000 1.029 375 T CA 0.196 62.376 62.100 0.133 0.000 1.144 375 T CB -0.092 68.858 68.868 0.138 0.000 0.870 375 T HN 0.367 nan 8.240 nan 0.000 0.446 376 F N 2.431 122.419 119.950 0.062 0.000 2.411 376 F HA 0.592 5.119 4.527 -0.000 0.000 0.350 376 F C -0.999 174.831 175.800 0.051 0.000 1.114 376 F CA -1.636 56.405 58.000 0.067 0.000 1.135 376 F CB 0.373 39.419 39.000 0.077 0.000 1.120 376 F HN -0.036 nan 8.300 nan 0.000 0.495 377 L N 7.089 127.917 121.223 -0.658 0.000 2.365 377 L HA 0.484 4.824 4.340 0.001 0.000 0.273 377 L C -1.350 175.050 176.870 -0.785 0.000 1.000 377 L CA -0.758 53.748 54.840 -0.556 0.000 0.819 377 L CB 2.151 44.032 42.059 -0.297 0.000 1.284 377 L HN 0.590 nan 8.230 nan 0.000 0.418 378 F N 2.102 121.636 119.950 -0.694 0.000 2.518 378 F HA 0.512 5.040 4.527 0.002 0.000 0.323 378 F C -0.420 175.104 175.800 -0.459 0.000 1.129 378 F CA -0.431 57.289 58.000 -0.466 0.000 0.920 378 F CB 1.330 40.194 39.000 -0.226 0.000 1.160 378 F HN 0.407 nan 8.300 nan 0.000 0.440 379 H N 4.959 124.118 119.070 0.148 0.000 2.529 379 H HA 0.195 4.752 4.556 0.001 0.000 0.348 379 H C -1.668 173.847 175.328 0.312 0.000 1.079 379 H CA -0.599 55.566 56.048 0.196 0.000 1.198 379 H CB 2.055 31.848 29.762 0.051 0.000 1.521 379 H HN 0.637 nan 8.280 nan 0.000 0.514 380 Y N 3.570 124.068 120.300 0.330 0.000 2.328 380 Y HA 0.249 4.800 4.550 0.001 0.000 0.337 380 Y C -0.732 175.297 175.900 0.215 0.000 0.966 380 Y CA -0.615 57.653 58.100 0.279 0.000 1.136 380 Y CB 0.709 39.326 38.460 0.262 0.000 1.170 380 Y HN 0.493 nan 8.280 nan 0.000 0.470 381 N N 6.551 125.167 118.700 -0.140 0.000 2.372 381 N HA 0.233 4.974 4.740 0.001 0.000 0.285 381 N C -1.833 173.550 175.510 -0.212 0.000 1.008 381 N CA -0.392 52.608 53.050 -0.083 0.000 0.880 381 N CB 1.541 39.998 38.487 -0.049 0.000 1.239 381 N HN 0.639 nan 8.380 nan 0.000 0.484 382 F N 3.751 123.589 119.950 -0.185 0.000 2.451 382 F HA 0.420 4.948 4.527 0.002 0.000 0.367 382 F C -2.156 173.532 175.800 -0.187 0.000 1.100 382 F CA -1.807 56.081 58.000 -0.186 0.000 1.171 382 F CB 0.987 39.984 39.000 -0.004 0.000 1.405 382 F HN 0.284 nan 8.300 nan 0.000 0.482 383 P HA 0.280 nan 4.420 nan 0.000 0.276 383 P C -2.327 174.652 177.300 -0.535 0.000 1.244 383 P CA -1.513 61.291 63.100 -0.493 0.000 0.801 383 P CB 0.555 31.697 31.700 -0.931 0.000 1.006 384 P HA -0.079 nan 4.420 nan 0.000 0.229 384 P C 0.788 178.002 177.300 -0.143 0.000 1.160 384 P CA 0.964 63.990 63.100 -0.124 0.000 0.777 384 P CB -0.473 31.225 31.700 -0.003 0.000 0.814 385 Y N -1.197 119.047 120.300 -0.093 0.000 2.553 385 Y HA 0.188 4.739 4.550 0.001 0.000 0.303 385 Y C 1.705 177.524 175.900 -0.135 0.000 1.194 385 Y CA 0.342 58.386 58.100 -0.094 0.000 1.305 385 Y CB -1.294 37.118 38.460 -0.080 0.000 1.045 385 Y HN -0.058 nan 8.280 nan 0.000 0.514 386 S N -0.185 115.239 115.700 -0.460 0.000 2.503 386 S HA 0.004 4.475 4.470 0.001 0.000 0.217 386 S C 1.066 175.520 174.600 -0.243 0.000 0.999 386 S CA 0.428 58.370 58.200 -0.430 0.000 0.914 386 S CB -0.341 62.361 63.200 -0.831 0.000 0.782 386 S HN 0.433 nan 8.310 nan 0.000 0.520 387 V N -2.807 117.006 119.914 -0.168 0.000 3.252 387 V HA 0.696 4.817 4.120 0.001 0.000 0.320 387 V C 0.905 176.950 176.094 -0.081 0.000 1.459 387 V CA -0.371 61.871 62.300 -0.097 0.000 1.095 387 V CB -0.643 31.164 31.823 -0.026 0.000 0.997 387 V HN 0.636 nan 8.190 nan 0.000 0.469 388 G N 1.589 110.360 108.800 -0.049 0.000 2.370 388 G HA2 -0.169 3.791 3.960 0.001 0.000 0.295 388 G HA3 -0.169 3.791 3.960 0.001 0.000 0.295 388 G C -0.197 174.695 174.900 -0.013 0.000 1.045 388 G CA 0.844 45.932 45.100 -0.020 0.000 1.199 388 G HN 1.240 nan 8.290 nan 0.000 0.513 389 E N -1.702 118.499 120.200 0.001 0.000 2.377 389 E HA 0.757 5.108 4.350 0.001 0.000 0.266 389 E C -0.248 176.365 176.600 0.021 0.000 1.111 389 E CA -0.605 55.800 56.400 0.009 0.000 0.889 389 E CB 0.580 30.283 29.700 0.004 0.000 1.644 389 E HN 0.696 nan 8.360 nan 0.000 0.464 390 T N -1.911 112.655 114.554 0.021 0.000 2.932 390 T HA 0.856 5.207 4.350 0.001 0.000 0.289 390 T C 0.201 174.916 174.700 0.025 0.000 1.039 390 T CA -0.300 61.816 62.100 0.027 0.000 1.024 390 T CB 1.647 70.529 68.868 0.023 0.000 1.090 390 T HN 0.972 nan 8.240 nan 0.000 0.496 391 G N 0.835 109.652 108.800 0.029 0.000 2.519 391 G HA2 0.467 4.428 3.960 0.001 0.000 0.292 391 G HA3 0.467 4.428 3.960 0.001 0.000 0.292 391 G C -1.123 173.796 174.900 0.031 0.000 1.507 391 G CA -1.179 43.939 45.100 0.029 0.000 0.806 391 G HN 0.840 nan 8.290 nan 0.000 0.523 392 M N 1.779 121.395 119.600 0.027 0.000 2.194 392 M HA 0.322 4.802 4.480 0.001 0.000 0.347 392 M C 0.707 177.027 176.300 0.032 0.000 1.439 392 M CA -0.393 54.923 55.300 0.026 0.000 1.131 392 M CB 0.828 33.440 32.600 0.020 0.000 1.733 392 M HN 0.480 nan 8.290 nan 0.000 0.467 393 V N 0.916 120.850 119.914 0.033 0.000 2.837 393 V HA 1.026 5.147 4.120 0.001 0.000 0.310 393 V C 0.591 176.703 176.094 0.029 0.000 1.059 393 V CA 0.240 62.562 62.300 0.036 0.000 1.004 393 V CB 1.150 32.998 31.823 0.043 0.000 1.045 393 V HN 1.069 nan 8.190 nan 0.000 0.465 394 G N 1.301 110.119 108.800 0.030 0.000 2.793 394 G HA2 -0.173 3.788 3.960 0.001 0.000 0.197 394 G HA3 -0.173 3.788 3.960 0.001 0.000 0.197 394 G C 0.509 175.423 174.900 0.024 0.000 2.112 394 G CA 0.168 45.281 45.100 0.021 0.000 1.556 394 G HN 1.362 nan 8.290 nan 0.000 0.534 395 S N 4.154 119.870 115.700 0.026 0.000 2.505 395 S HA 0.571 5.041 4.470 0.001 0.000 0.276 395 S C -1.954 172.672 174.600 0.044 0.000 1.274 395 S CA -0.496 57.721 58.200 0.029 0.000 1.053 395 S CB 0.857 64.071 63.200 0.023 0.000 0.919 395 S HN 0.479 nan 8.310 nan 0.000 0.490 396 P HA 0.215 nan 4.420 nan 0.000 0.271 396 P C -0.604 176.736 177.300 0.067 0.000 1.226 396 P CA -0.242 62.904 63.100 0.077 0.000 0.765 396 P CB 0.472 32.226 31.700 0.089 0.000 0.835 397 K N 2.174 122.620 120.400 0.076 0.000 2.117 397 K HA 0.241 4.561 4.320 0.001 0.000 0.240 397 K C 1.661 178.284 176.600 0.038 0.000 1.031 397 K CA -0.583 55.734 56.287 0.049 0.000 0.909 397 K CB 0.800 33.326 32.500 0.043 0.000 1.097 397 K HN 0.266 nan 8.250 nan 0.000 0.492 398 R N 0.832 121.337 120.500 0.009 0.000 2.152 398 R HA -0.173 4.168 4.340 0.001 0.000 0.232 398 R C 2.558 178.826 176.300 -0.053 0.000 1.117 398 R CA 1.654 57.744 56.100 -0.017 0.000 0.981 398 R CB -0.246 30.039 30.300 -0.025 0.000 0.870 398 R HN 0.574 nan 8.270 nan 0.000 0.451 399 R N 1.387 121.866 120.500 -0.035 0.000 2.093 399 R HA -0.072 4.268 4.340 0.001 0.000 0.224 399 R C 1.793 178.114 176.300 0.035 0.000 1.101 399 R CA 1.462 57.534 56.100 -0.047 0.000 0.979 399 R CB -0.845 nan 30.300 nan 0.000 0.877 399 R HN 0.413 nan 8.270 nan 0.000 0.441 400 E N 0.193 120.473 120.200 0.133 0.000 2.106 400 E HA -0.029 4.322 4.350 0.001 0.000 0.192 400 E C 1.997 178.699 176.600 0.171 0.000 0.984 400 E CA 1.307 57.889 56.400 0.304 0.000 0.806 400 E CB -0.140 29.756 29.700 0.327 0.000 0.750 400 E HN 0.616 nan 8.360 nan 0.000 0.458 401 I N 0.640 121.253 120.570 0.071 0.000 2.353 401 I HA -0.105 4.066 4.170 0.001 0.000 0.248 401 I C 2.513 178.588 176.117 -0.071 0.000 1.119 401 I CA 0.955 62.275 61.300 0.034 0.000 1.417 401 I CB -0.369 37.649 38.000 0.030 0.000 1.078 401 I HN 0.114 nan 8.210 nan 0.000 0.421 402 G N 0.239 108.933 108.800 -0.176 0.000 2.408 402 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 402 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 402 G C 1.479 176.112 174.900 -0.445 0.000 1.150 402 G CA 0.567 45.474 45.100 -0.322 0.000 0.776 402 G HN 0.402 nan 8.290 nan 0.000 0.542 403 H N 0.376 119.226 119.070 -0.368 0.000 2.548 403 H HA 0.097 4.654 4.556 0.001 0.000 0.265 403 H C 2.637 177.655 175.328 -0.516 0.000 0.969 403 H CA 0.602 56.275 56.048 -0.626 0.000 1.155 403 H CB 0.036 29.030 29.762 -1.280 0.000 1.394 403 H HN 0.380 nan 8.280 nan 0.000 0.570 404 G N 1.010 109.722 108.800 -0.147 0.000 2.394 404 G HA2 -0.236 3.724 3.960 0.001 0.000 0.214 404 G HA3 -0.236 3.724 3.960 0.001 0.000 0.214 404 G C 1.961 176.825 174.900 -0.060 0.000 1.176 404 G CA 0.258 45.391 45.100 0.054 0.000 0.786 404 G HN 0.235 nan 8.290 nan 0.000 0.533 405 R N 0.063 120.513 120.500 -0.084 0.000 2.148 405 R HA 0.235 4.576 4.340 0.001 0.000 0.223 405 R C 2.378 178.593 176.300 -0.141 0.000 1.088 405 R CA 0.626 56.673 56.100 -0.088 0.000 0.985 405 R CB -0.700 29.562 30.300 -0.063 0.000 0.880 405 R HN 0.381 nan 8.270 nan 0.000 0.451 406 L N -0.380 120.736 121.223 -0.178 0.000 2.012 406 L HA -0.157 4.183 4.340 0.001 0.000 0.210 406 L C 1.983 178.718 176.870 -0.225 0.000 1.073 406 L CA 1.945 56.677 54.840 -0.179 0.000 0.748 406 L CB -0.392 41.568 42.059 -0.165 0.000 0.891 406 L HN 0.328 nan 8.230 nan 0.000 0.431 407 A N -1.101 121.502 122.820 -0.363 0.000 2.016 407 A HA -0.177 4.144 4.320 0.001 0.000 0.217 407 A C 2.326 179.523 177.584 -0.644 0.000 1.162 407 A CA 1.311 52.992 52.037 -0.593 0.000 0.662 407 A CB -0.356 18.059 19.000 -0.975 0.000 0.812 407 A HN 0.413 nan 8.150 nan 0.000 0.450 408 K N -0.235 119.895 120.400 -0.450 0.000 2.155 408 K HA -0.035 4.286 4.320 0.001 0.000 0.203 408 K C 1.990 178.613 176.600 0.038 0.000 1.052 408 K CA 0.846 57.121 56.287 -0.020 0.000 0.948 408 K CB -0.092 32.462 32.500 0.090 0.000 0.728 408 K HN 0.396 nan 8.250 nan 0.000 0.448 409 R N -0.914 119.553 120.500 -0.056 0.000 2.280 409 R HA -0.027 4.314 4.340 0.001 0.000 0.207 409 R C 1.894 178.157 176.300 -0.063 0.000 1.043 409 R CA 0.888 56.961 56.100 -0.046 0.000 1.006 409 R CB 0.113 30.376 30.300 -0.062 0.000 0.885 409 R HN 0.215 nan 8.270 nan 0.000 0.467 410 G N -0.743 108.006 108.800 -0.085 0.000 2.887 410 G HA2 0.020 3.980 3.960 0.001 0.000 0.211 410 G HA3 0.020 3.980 3.960 0.001 0.000 0.211 410 G C 1.051 175.912 174.900 -0.065 0.000 1.152 410 G CA -0.055 44.996 45.100 -0.082 0.000 0.769 410 G HN 0.099 nan 8.290 nan 0.000 0.541 411 V N -0.019 119.867 119.914 -0.048 0.000 3.455 411 V HA 0.163 4.284 4.120 0.001 0.000 0.250 411 V C 2.229 178.175 176.094 -0.247 0.000 1.230 411 V CA 0.103 62.353 62.300 -0.084 0.000 1.105 411 V CB 0.490 32.362 31.823 0.082 0.000 0.850 411 V HN 0.256 nan 8.190 nan 0.000 0.461 412 L N 1.583 122.687 121.223 -0.199 0.000 2.079 412 L HA -0.107 4.233 4.340 0.001 0.000 0.210 412 L C 2.453 179.226 176.870 -0.161 0.000 1.081 412 L CA 2.395 57.102 54.840 -0.221 0.000 0.752 412 L CB -0.570 41.456 42.059 -0.054 0.000 0.896 412 L HN 0.271 nan 8.230 nan 0.000 0.433 413 A N -1.586 121.167 122.820 -0.111 0.000 1.930 413 A HA -0.102 4.219 4.320 0.001 0.000 0.217 413 A C 2.175 179.703 177.584 -0.093 0.000 1.175 413 A CA 1.744 53.731 52.037 -0.083 0.000 0.627 413 A CB -0.823 18.139 19.000 -0.062 0.000 0.815 413 A HN 0.277 nan 8.150 nan 0.000 0.443 414 V N -0.649 119.195 119.914 -0.115 0.000 2.591 414 V HA -0.058 4.063 4.120 0.001 0.000 0.249 414 V C 1.404 177.414 176.094 -0.141 0.000 1.053 414 V CA 0.964 63.198 62.300 -0.111 0.000 1.068 414 V CB -0.916 30.847 31.823 -0.101 0.000 0.689 414 V HN 0.602 nan 8.190 nan 0.000 0.462 415 M N 2.547 122.017 119.600 -0.216 0.000 2.284 415 M HA 0.172 4.652 4.480 0.001 0.000 0.351 415 M C -1.974 174.244 176.300 -0.136 0.000 1.443 415 M CA -2.063 53.085 55.300 -0.253 0.000 1.031 415 M CB -0.039 32.285 32.600 -0.461 0.000 1.893 415 M HN 0.010 nan 8.290 nan 0.000 0.456 416 P HA 0.098 nan 4.420 nan 0.000 0.270 416 P C -1.139 176.176 177.300 0.025 0.000 1.223 416 P CA -0.349 62.734 63.100 -0.028 0.000 0.785 416 P CB 0.124 31.810 31.700 -0.024 0.000 0.923 417 D N 0.966 121.390 120.400 0.039 0.000 2.371 417 D HA 0.018 4.659 4.640 0.001 0.000 0.242 417 D C 1.128 177.476 176.300 0.080 0.000 1.218 417 D CA -0.431 53.597 54.000 0.046 0.000 0.945 417 D CB 0.195 41.012 40.800 0.029 0.000 1.137 417 D HN 0.132 nan 8.370 nan 0.000 0.464 418 M N 0.111 119.744 119.600 0.054 0.000 2.229 418 M HA -0.087 4.393 4.480 0.001 0.000 0.264 418 M C 0.880 177.188 176.300 0.014 0.000 1.063 418 M CA 1.459 56.782 55.300 0.038 0.000 1.114 418 M CB -0.421 32.187 32.600 0.015 0.000 1.387 418 M HN 0.328 nan 8.290 nan 0.000 0.420 419 D N -0.275 120.137 120.400 0.019 0.000 2.178 419 D HA -0.150 4.491 4.640 0.001 0.000 0.202 419 D C 1.913 178.230 176.300 0.028 0.000 0.974 419 D CA 1.074 55.079 54.000 0.008 0.000 0.841 419 D CB -0.186 40.620 40.800 0.009 0.000 0.953 419 D HN 0.433 nan 8.370 nan 0.000 0.478 420 K N -1.217 119.226 120.400 0.071 0.000 2.098 420 K HA -0.016 4.305 4.320 0.001 0.000 0.203 420 K C -0.163 176.572 176.600 0.225 0.000 1.051 420 K CA 0.322 56.681 56.287 0.119 0.000 0.957 420 K CB 0.334 32.901 32.500 0.111 0.000 0.738 420 K HN -0.027 nan 8.250 nan 0.000 0.447 421 F N 2.072 122.044 119.950 0.037 0.000 2.676 421 F HA 0.325 4.851 4.527 -0.001 0.000 0.371 421 F C -2.462 173.355 175.800 0.028 0.000 1.141 421 F CA -2.549 55.507 58.000 0.094 0.000 1.133 421 F CB 1.922 40.996 39.000 0.124 0.000 1.376 421 F HN -0.076 nan 8.300 nan 0.000 0.491 422 P HA 0.148 nan 4.420 nan 0.000 0.227 422 P C -1.443 175.446 177.300 -0.685 0.000 1.801 422 P CA 0.168 63.005 63.100 -0.439 0.000 0.971 422 P CB -0.537 30.897 31.700 -0.443 0.000 1.653 423 Y N -0.270 119.796 120.300 -0.391 0.000 2.393 423 Y HA 0.350 4.903 4.550 0.005 0.000 0.341 423 Y C 1.192 177.082 175.900 -0.018 0.000 0.988 423 Y CA -0.900 57.025 58.100 -0.292 0.000 1.078 423 Y CB 1.314 39.442 38.460 -0.553 0.000 1.203 423 Y HN -0.178 nan 8.280 nan 0.000 0.453 424 T N 0.256 114.897 114.554 0.146 0.000 2.779 424 T HA 0.463 4.814 4.350 0.001 0.000 0.296 424 T C -0.388 174.414 174.700 0.169 0.000 0.938 424 T CA -0.617 61.570 62.100 0.146 0.000 1.119 424 T CB 0.099 69.018 68.868 0.086 0.000 0.891 424 T HN 0.343 nan 8.240 nan 0.000 0.526 425 V N 4.797 124.840 119.914 0.214 0.000 2.384 425 V HA 0.485 4.606 4.120 0.001 0.000 0.287 425 V C 0.457 176.571 176.094 0.034 0.000 1.020 425 V CA -0.945 61.468 62.300 0.187 0.000 0.850 425 V CB 1.231 33.249 31.823 0.325 0.000 0.987 425 V HN 0.894 nan 8.190 nan 0.000 0.436 426 R N 3.635 124.124 120.500 -0.018 0.000 2.294 426 R HA 0.701 5.042 4.340 0.001 0.000 0.319 426 R C -1.582 174.621 176.300 -0.162 0.000 0.984 426 R CA -0.377 55.658 56.100 -0.108 0.000 0.861 426 R CB 1.769 32.066 30.300 -0.006 0.000 1.104 426 R HN 0.543 nan 8.270 nan 0.000 0.451 427 V N 5.526 125.222 119.914 -0.363 0.000 2.378 427 V HA 0.323 4.444 4.120 0.001 0.000 0.288 427 V C -0.425 175.377 176.094 -0.486 0.000 1.016 427 V CA -0.743 61.271 62.300 -0.478 0.000 0.840 427 V CB 1.798 33.156 31.823 -0.776 0.000 0.994 427 V HN 0.476 nan 8.190 nan 0.000 0.431 428 V N 3.702 123.460 119.914 -0.259 0.000 2.384 428 V HA 0.475 4.596 4.120 0.001 0.000 0.287 428 V C 0.230 176.255 176.094 -0.116 0.000 1.020 428 V CA -0.311 61.918 62.300 -0.118 0.000 0.850 428 V CB 1.841 33.650 31.823 -0.024 0.000 0.987 428 V HN 0.815 nan 8.190 nan 0.000 0.436 429 S N 4.192 119.865 115.700 -0.044 0.000 2.448 429 S HA 0.433 4.904 4.470 0.001 0.000 0.320 429 S C -0.394 174.186 174.600 -0.034 0.000 1.071 429 S CA -0.658 57.552 58.200 0.016 0.000 1.113 429 S CB 0.368 63.690 63.200 0.204 0.000 0.972 429 S HN 0.708 nan 8.310 nan 0.000 0.465 430 E N 3.916 124.096 120.200 -0.033 0.000 2.216 430 E HA 0.386 4.737 4.350 0.001 0.000 0.279 430 E C -0.507 176.048 176.600 -0.076 0.000 0.997 430 E CA -0.398 55.970 56.400 -0.053 0.000 0.817 430 E CB 1.497 31.199 29.700 0.003 0.000 1.096 430 E HN 0.632 nan 8.360 nan 0.000 0.393 431 I N 2.015 122.481 120.570 -0.172 0.000 2.355 431 I HA 0.091 4.262 4.170 0.001 0.000 0.288 431 I C 1.417 177.423 176.117 -0.186 0.000 0.999 431 I CA -0.212 60.958 61.300 -0.217 0.000 1.163 431 I CB 1.417 39.178 38.000 -0.398 0.000 1.316 431 I HN 0.502 nan 8.210 nan 0.000 0.454 432 T N 0.295 114.842 114.554 -0.012 0.000 3.044 432 T HA 0.202 4.553 4.350 0.001 0.000 0.255 432 T C 0.610 175.333 174.700 0.040 0.000 1.073 432 T CA 0.661 62.861 62.100 0.168 0.000 1.125 432 T CB 0.049 68.994 68.868 0.130 0.000 0.908 432 T HN 0.624 nan 8.240 nan 0.000 0.480 433 E N 0.367 120.533 120.200 -0.057 0.000 2.304 433 E HA 0.665 5.015 4.350 0.001 0.000 0.277 433 E C -1.075 175.471 176.600 -0.091 0.000 0.898 433 E CA -0.873 55.487 56.400 -0.066 0.000 0.764 433 E CB 1.736 31.426 29.700 -0.017 0.000 1.216 433 E HN 0.218 nan 8.360 nan 0.000 0.419 434 S N 1.458 117.095 115.700 -0.105 0.000 2.707 434 S HA 0.525 4.996 4.470 0.001 0.000 0.303 434 S C -0.257 174.361 174.600 0.031 0.000 1.132 434 S CA -0.387 57.792 58.200 -0.036 0.000 1.046 434 S CB 1.019 64.160 63.200 -0.099 0.000 1.004 434 S HN 0.580 nan 8.310 nan 0.000 0.483 435 N N 3.800 122.539 118.700 0.064 0.000 3.046 435 N HA 0.377 5.118 4.740 0.001 0.000 0.240 435 N C 1.122 176.692 175.510 0.101 0.000 1.017 435 N CA 1.197 54.293 53.050 0.076 0.000 1.126 435 N CB -0.128 38.399 38.487 0.067 0.000 1.642 435 N HN 0.639 nan 8.380 nan 0.000 0.548 436 G N -0.270 108.585 108.800 0.091 0.000 3.223 436 G HA2 0.169 4.130 3.960 0.001 0.000 0.198 436 G HA3 0.169 4.130 3.960 0.001 0.000 0.198 436 G C -0.614 174.329 174.900 0.072 0.000 1.980 436 G CA 0.009 45.157 45.100 0.078 0.000 0.828 436 G HN 0.271 nan 8.290 nan 0.000 0.680 437 S N 0.292 116.037 115.700 0.075 0.000 2.405 437 S HA 0.370 4.841 4.470 0.001 0.000 0.291 437 S C 1.392 176.052 174.600 0.101 0.000 1.137 437 S CA 0.259 58.499 58.200 0.067 0.000 1.061 437 S CB 0.709 63.947 63.200 0.063 0.000 1.001 437 S HN 0.590 nan 8.310 nan 0.000 0.507 438 S N 3.593 119.360 115.700 0.111 0.000 2.475 438 S HA 0.012 4.483 4.470 0.001 0.000 0.224 438 S C 1.844 176.573 174.600 0.215 0.000 1.042 438 S CA 0.312 58.619 58.200 0.178 0.000 0.935 438 S CB -0.306 63.050 63.200 0.260 0.000 0.801 438 S HN 0.575 nan 8.310 nan 0.000 0.509 439 S N 2.432 118.214 115.700 0.136 0.000 2.368 439 S HA 0.084 4.554 4.470 0.001 0.000 0.225 439 S C 1.865 176.508 174.600 0.072 0.000 1.030 439 S CA 1.321 59.589 58.200 0.113 0.000 0.999 439 S CB -0.364 62.804 63.200 -0.054 0.000 0.844 439 S HN 0.375 nan 8.310 nan 0.000 0.459 440 M N 0.967 120.591 119.600 0.040 0.000 2.419 440 M HA 0.190 4.670 4.480 0.001 0.000 0.264 440 M C 2.296 178.599 176.300 0.005 0.000 1.082 440 M CA 0.591 55.895 55.300 0.007 0.000 1.119 440 M CB -1.490 31.113 32.600 0.006 0.000 1.398 440 M HN 0.360 nan 8.290 nan 0.000 0.453 441 A N -0.353 122.514 122.820 0.078 0.000 2.014 441 A HA -0.048 4.272 4.320 0.001 0.000 0.218 441 A C 2.426 180.038 177.584 0.047 0.000 1.163 441 A CA 1.609 53.711 52.037 0.108 0.000 0.652 441 A CB -0.496 18.654 19.000 0.249 0.000 0.808 441 A HN 0.441 nan 8.150 nan 0.000 0.449 442 S N -0.418 115.356 115.700 0.123 0.000 2.406 442 S HA -0.074 4.397 4.470 0.001 0.000 0.228 442 S C 1.821 176.533 174.600 0.187 0.000 1.020 442 S CA 1.218 59.542 58.200 0.207 0.000 0.965 442 S CB -0.235 63.183 63.200 0.363 0.000 0.798 442 S HN 0.359 nan 8.310 nan 0.000 0.488 443 V N 1.078 121.024 119.914 0.053 0.000 2.358 443 V HA -0.199 3.921 4.120 0.001 0.000 0.246 443 V C 2.398 178.448 176.094 -0.073 0.000 1.047 443 V CA 1.345 63.651 62.300 0.009 0.000 1.035 443 V CB -0.963 30.824 31.823 -0.060 0.000 0.658 443 V HN 0.568 nan 8.190 nan 0.000 0.452 444 C N 0.996 120.137 119.300 -0.264 0.000 2.429 444 C HA -0.030 4.431 4.460 0.001 0.000 0.277 444 C C 2.884 177.627 174.990 -0.411 0.000 1.262 444 C CA 0.833 59.534 59.018 -0.529 0.000 1.733 444 C CB -1.643 25.304 27.740 -1.322 0.000 2.010 444 C HN 0.666 nan 8.230 nan 0.000 0.483 445 G N -0.026 108.610 108.800 -0.273 0.000 2.484 445 G HA2 0.129 4.090 3.960 0.001 0.000 0.218 445 G HA3 0.129 4.090 3.960 0.001 0.000 0.218 445 G C 1.779 176.702 174.900 0.038 0.000 1.130 445 G CA 0.875 45.955 45.100 -0.033 0.000 0.784 445 G HN 0.597 nan 8.290 nan 0.000 0.543 446 A N 0.681 123.554 122.820 0.089 0.000 1.898 446 A HA 0.030 4.350 4.320 0.001 0.000 0.216 446 A C 2.588 180.228 177.584 0.092 0.000 1.181 446 A CA 2.119 54.249 52.037 0.156 0.000 0.620 446 A CB -0.727 18.509 19.000 0.393 0.000 0.819 446 A HN 0.370 nan 8.150 nan 0.000 0.442 447 S N -0.564 115.162 115.700 0.044 0.000 2.402 447 S HA -0.050 4.421 4.470 0.001 0.000 0.229 447 S C 1.848 176.453 174.600 0.008 0.000 1.021 447 S CA 1.294 59.502 58.200 0.012 0.000 0.974 447 S CB -0.471 62.718 63.200 -0.018 0.000 0.800 447 S HN 0.475 nan 8.310 nan 0.000 0.484 448 L N 0.778 122.009 121.223 0.014 0.000 2.156 448 L HA 0.100 4.441 4.340 0.001 0.000 0.208 448 L C 2.816 179.704 176.870 0.030 0.000 1.095 448 L CA 1.014 55.871 54.840 0.029 0.000 0.770 448 L CB -0.525 41.569 42.059 0.058 0.000 0.914 448 L HN 0.350 nan 8.230 nan 0.000 0.439 449 A N 0.020 122.860 122.820 0.033 0.000 1.970 449 A HA -0.032 4.289 4.320 0.001 0.000 0.216 449 A C 2.229 179.828 177.584 0.025 0.000 1.170 449 A CA 0.954 53.008 52.037 0.030 0.000 0.645 449 A CB -0.453 18.561 19.000 0.023 0.000 0.816 449 A HN 0.332 nan 8.150 nan 0.000 0.447 450 L N -1.165 120.072 121.223 0.023 0.000 2.156 450 L HA -0.090 4.251 4.340 0.001 0.000 0.208 450 L C 2.701 179.554 176.870 -0.028 0.000 1.095 450 L CA 0.961 55.802 54.840 0.002 0.000 0.770 450 L CB -0.348 41.711 42.059 -0.002 0.000 0.914 450 L HN 0.393 nan 8.230 nan 0.000 0.439 451 M N -0.762 118.828 119.600 -0.017 0.000 2.254 451 M HA -0.187 4.294 4.480 0.001 0.000 0.265 451 M C 1.707 178.002 176.300 -0.008 0.000 1.066 451 M CA 1.456 56.744 55.300 -0.020 0.000 1.123 451 M CB -0.300 32.294 32.600 -0.010 0.000 1.388 451 M HN 0.149 nan 8.290 nan 0.000 0.425 452 D N 0.408 120.812 120.400 0.007 0.000 2.183 452 D HA -0.035 4.606 4.640 0.001 0.000 0.203 452 D C 1.700 178.014 176.300 0.024 0.000 0.969 452 D CA 1.279 55.288 54.000 0.016 0.000 0.842 452 D CB 0.222 41.036 40.800 0.023 0.000 0.957 452 D HN 0.259 nan 8.370 nan 0.000 0.484 453 A N -0.778 122.057 122.820 0.026 0.000 2.208 453 A HA 0.428 4.749 4.320 0.001 0.000 0.209 453 A C 1.728 179.317 177.584 0.009 0.000 1.161 453 A CA 0.934 52.997 52.037 0.043 0.000 0.782 453 A CB -0.455 18.574 19.000 0.049 0.000 0.816 453 A HN 0.419 nan 8.150 nan 0.000 0.477 454 G N -1.066 107.719 108.800 -0.025 0.000 2.160 454 G HA2 -0.166 3.795 3.960 0.001 0.000 0.244 454 G HA3 -0.166 3.795 3.960 0.001 0.000 0.244 454 G C 0.003 174.809 174.900 -0.156 0.000 1.022 454 G CA 0.089 45.158 45.100 -0.052 0.000 0.741 454 G HN 0.786 nan 8.290 nan 0.000 0.508 455 V N 2.052 121.824 119.914 -0.237 0.000 2.432 455 V HA 0.361 4.482 4.120 0.001 0.000 0.271 455 V C -1.107 174.769 176.094 -0.363 0.000 1.046 455 V CA -1.183 60.813 62.300 -0.506 0.000 0.945 455 V CB 1.336 32.916 31.823 -0.406 0.000 0.992 455 V HN 0.267 nan 8.190 nan 0.000 0.471 456 P HA 0.147 nan 4.420 nan 0.000 0.259 456 P C -0.259 176.939 177.300 -0.169 0.000 1.635 456 P CA -0.180 62.797 63.100 -0.204 0.000 1.199 456 P CB -0.248 31.371 31.700 -0.135 0.000 1.850 457 I N -0.623 119.862 120.570 -0.142 0.000 2.823 457 I HA 0.324 4.494 4.170 0.001 0.000 0.290 457 I C 1.760 177.831 176.117 -0.077 0.000 1.091 457 I CA -0.539 60.693 61.300 -0.112 0.000 1.365 457 I CB 0.437 38.377 38.000 -0.100 0.000 1.427 457 I HN -0.152 nan 8.210 nan 0.000 0.583 458 K N 3.562 123.921 120.400 -0.069 0.000 1.973 458 K HA 0.346 4.667 4.320 0.001 0.000 0.210 458 K C 0.235 176.810 176.600 -0.041 0.000 1.045 458 K CA 1.530 57.787 56.287 -0.049 0.000 0.937 458 K CB -0.123 32.348 32.500 -0.047 0.000 0.721 458 K HN 0.960 nan 8.250 nan 0.000 0.438 459 A N -0.958 121.836 122.820 -0.043 0.000 2.547 459 A HA 0.713 5.034 4.320 0.001 0.000 0.297 459 A C -1.218 176.344 177.584 -0.035 0.000 1.056 459 A CA -0.543 51.474 52.037 -0.034 0.000 0.688 459 A CB 1.282 20.265 19.000 -0.027 0.000 1.282 459 A HN 0.360 nan 8.150 nan 0.000 0.400 460 A N 0.621 123.424 122.820 -0.028 0.000 2.587 460 A HA 0.436 4.757 4.320 0.001 0.000 0.235 460 A C 0.255 177.821 177.584 -0.030 0.000 1.044 460 A CA 0.695 52.716 52.037 -0.027 0.000 0.754 460 A CB -0.075 18.915 19.000 -0.017 0.000 0.968 460 A HN 2.078 nan 8.150 nan 0.000 0.509 461 V N 2.620 122.512 119.914 -0.037 0.000 2.448 461 V HA 0.749 4.870 4.120 0.001 0.000 0.295 461 V C 0.229 176.287 176.094 -0.059 0.000 1.025 461 V CA 0.306 62.581 62.300 -0.042 0.000 0.859 461 V CB 1.214 33.011 31.823 -0.043 0.000 0.988 461 V HN 1.588 nan 8.190 nan 0.000 0.431 462 A N 4.517 127.304 122.820 -0.055 0.000 2.430 462 A HA 1.038 5.359 4.320 0.001 0.000 0.300 462 A C -0.081 177.470 177.584 -0.055 0.000 1.124 462 A CA -0.226 51.766 52.037 -0.075 0.000 0.766 462 A CB 2.037 21.015 19.000 -0.037 0.000 1.328 462 A HN 1.589 nan 8.150 nan 0.000 0.424 463 G N -0.537 108.228 108.800 -0.058 0.000 2.667 463 G HA2 0.634 4.594 3.960 0.001 0.000 0.298 463 G HA3 0.634 4.594 3.960 0.001 0.000 0.298 463 G C -1.450 173.457 174.900 0.012 0.000 1.377 463 G CA -0.378 44.703 45.100 -0.032 0.000 0.964 463 G HN 0.595 nan 8.290 nan 0.000 0.493 464 I N 0.178 120.760 120.570 0.019 0.000 3.174 464 I HA 0.809 4.980 4.170 0.001 0.000 0.313 464 I C 0.058 176.198 176.117 0.038 0.000 1.155 464 I CA -0.959 60.371 61.300 0.051 0.000 0.977 464 I CB 2.590 40.633 38.000 0.072 0.000 1.248 464 I HN 0.728 nan 8.210 nan 0.000 0.453 465 A N 3.987 126.845 122.820 0.064 0.000 2.398 465 A HA 0.907 5.228 4.320 0.001 0.000 0.301 465 A C -1.052 176.599 177.584 0.111 0.000 1.041 465 A CA -0.561 51.518 52.037 0.070 0.000 0.711 465 A CB 1.395 20.425 19.000 0.051 0.000 1.240 465 A HN 0.495 nan 8.150 nan 0.000 0.420 466 M N 1.461 121.167 119.600 0.177 0.000 2.578 466 M HA 0.639 5.120 4.480 0.001 0.000 0.321 466 M C 0.368 176.756 176.300 0.146 0.000 1.182 466 M CA -0.431 54.975 55.300 0.178 0.000 0.965 466 M CB 1.613 34.357 32.600 0.240 0.000 1.694 466 M HN 0.917 nan 8.290 nan 0.000 0.461 467 G N 1.233 110.084 108.800 0.085 0.000 2.533 467 G HA2 0.766 4.727 3.960 0.001 0.000 0.304 467 G HA3 0.766 4.727 3.960 0.001 0.000 0.304 467 G C -2.250 172.669 174.900 0.033 0.000 1.263 467 G CA -0.437 44.699 45.100 0.059 0.000 0.964 467 G HN 0.578 nan 8.290 nan 0.000 0.479 468 L N 0.929 122.166 121.223 0.024 0.000 2.401 468 L HA 0.751 5.091 4.340 0.001 0.000 0.266 468 L C -0.924 175.959 176.870 0.023 0.000 0.991 468 L CA -0.728 54.124 54.840 0.019 0.000 0.818 468 L CB 2.525 44.580 42.059 -0.007 0.000 1.321 468 L HN 0.325 nan 8.230 nan 0.000 0.413 469 V N 4.617 124.549 119.914 0.030 0.000 2.326 469 V HA 0.498 4.618 4.120 0.001 0.000 0.281 469 V C -0.334 175.782 176.094 0.037 0.000 1.015 469 V CA -0.653 61.659 62.300 0.020 0.000 0.823 469 V CB 1.209 33.034 31.823 0.003 0.000 1.009 469 V HN 0.701 nan 8.190 nan 0.000 0.436 470 K N 3.424 123.842 120.400 0.031 0.000 2.345 470 K HA 0.676 4.996 4.320 0.001 0.000 0.255 470 K C -1.082 175.531 176.600 0.021 0.000 0.934 470 K CA -0.606 55.706 56.287 0.042 0.000 0.801 470 K CB 1.876 34.393 32.500 0.028 0.000 1.137 470 K HN 0.649 nan 8.250 nan 0.000 0.424 471 E N 2.833 123.047 120.200 0.023 0.000 2.316 471 E HA 0.365 4.715 4.350 0.001 0.000 0.254 471 E C 0.178 176.786 176.600 0.012 0.000 0.902 471 E CA 0.468 56.874 56.400 0.010 0.000 0.801 471 E CB 1.126 30.827 29.700 0.001 0.000 1.270 471 E HN 0.814 nan 8.360 nan 0.000 0.414 472 G N 4.903 113.707 108.800 0.007 0.000 4.766 472 G HA2 -0.393 3.568 3.960 0.001 0.000 0.314 472 G HA3 -0.393 3.568 3.960 0.001 0.000 0.314 472 G C 0.644 175.551 174.900 0.011 0.000 1.427 472 G CA 0.881 45.984 45.100 0.005 0.000 1.024 472 G HN 0.685 nan 8.290 nan 0.000 0.754 473 D N 0.424 120.841 120.400 0.028 0.000 2.401 473 D HA 0.128 4.769 4.640 0.001 0.000 0.269 473 D C 0.432 176.805 176.300 0.121 0.000 1.117 473 D CA 0.242 54.273 54.000 0.051 0.000 0.829 473 D CB -0.766 40.056 40.800 0.036 0.000 1.350 473 D HN 0.565 nan 8.370 nan 0.000 0.529 474 N N 0.402 119.154 118.700 0.087 0.000 2.497 474 N HA 0.357 5.097 4.740 0.001 0.000 0.268 474 N C -1.002 174.588 175.510 0.132 0.000 1.171 474 N CA -0.173 52.923 53.050 0.077 0.000 0.948 474 N CB 0.456 38.944 38.487 0.002 0.000 1.069 474 N HN 0.255 nan 8.380 nan 0.000 0.460 475 Y N -1.227 119.052 120.300 -0.036 0.000 2.524 475 Y HA 0.739 5.290 4.550 0.001 0.000 0.347 475 Y C -1.510 174.366 175.900 -0.040 0.000 1.005 475 Y CA -1.286 56.789 58.100 -0.042 0.000 1.025 475 Y CB 0.840 39.268 38.460 -0.053 0.000 1.275 475 Y HN 0.112 nan 8.280 nan 0.000 0.460 476 V N 3.855 123.766 119.914 -0.006 0.000 2.577 476 V HA 0.460 4.581 4.120 0.001 0.000 0.303 476 V C -0.699 175.412 176.094 0.028 0.000 1.042 476 V CA -0.965 61.295 62.300 -0.066 0.000 0.872 476 V CB 1.616 33.400 31.823 -0.065 0.000 0.998 476 V HN 0.769 nan 8.190 nan 0.000 0.423 477 V N 6.380 126.312 119.914 0.029 0.000 2.406 477 V HA 0.424 4.545 4.120 0.001 0.000 0.272 477 V C -0.245 175.859 176.094 0.016 0.000 1.043 477 V CA -0.323 61.999 62.300 0.037 0.000 0.915 477 V CB 1.234 33.084 31.823 0.045 0.000 0.988 477 V HN 0.609 nan 8.190 nan 0.000 0.466 478 L N 4.304 125.541 121.223 0.023 0.000 2.307 478 L HA 0.519 4.860 4.340 0.001 0.000 0.284 478 L C 0.386 177.280 176.870 0.040 0.000 1.023 478 L CA 0.333 55.188 54.840 0.025 0.000 0.810 478 L CB 1.897 43.972 42.059 0.027 0.000 1.231 478 L HN 0.557 nan 8.230 nan 0.000 0.423 479 S N 1.135 116.856 115.700 0.035 0.000 2.480 479 S HA 0.292 4.763 4.470 0.001 0.000 0.286 479 S C -0.505 174.125 174.600 0.049 0.000 1.180 479 S CA -0.416 57.812 58.200 0.046 0.000 1.075 479 S CB 0.745 63.964 63.200 0.031 0.000 0.996 479 S HN 0.734 nan 8.310 nan 0.000 0.487 480 D N 1.902 122.342 120.400 0.065 0.000 3.278 480 D HA -0.175 4.466 4.640 0.001 0.000 0.233 480 D C -0.030 176.309 176.300 0.064 0.000 1.149 480 D CA 0.494 54.536 54.000 0.070 0.000 0.957 480 D CB -1.151 39.693 40.800 0.073 0.000 0.913 480 D HN 0.586 nan 8.370 nan 0.000 0.409 481 I N -1.613 118.995 120.570 0.064 0.000 2.823 481 I HA 0.424 4.594 4.170 0.001 0.000 0.290 481 I C 0.665 176.822 176.117 0.067 0.000 1.091 481 I CA -1.033 60.303 61.300 0.060 0.000 1.365 481 I CB 0.545 38.577 38.000 0.052 0.000 1.427 481 I HN 0.031 nan 8.210 nan 0.000 0.583 482 L N 3.372 124.643 121.223 0.079 0.000 2.744 482 L HA 0.450 4.791 4.340 0.001 0.000 0.218 482 L C 1.874 178.806 176.870 0.103 0.000 1.190 482 L CA 0.547 55.449 54.840 0.103 0.000 0.869 482 L CB 0.251 42.389 42.059 0.132 0.000 1.652 482 L HN 0.832 nan 8.230 nan 0.000 0.519 483 G N -1.418 107.479 108.800 0.162 0.000 2.402 483 G HA2 -0.178 3.782 3.960 0.001 0.000 0.216 483 G HA3 -0.178 3.782 3.960 0.001 0.000 0.216 483 G C 1.007 176.093 174.900 0.311 0.000 1.162 483 G CA 0.498 45.719 45.100 0.202 0.000 0.777 483 G HN 0.644 nan 8.290 nan 0.000 0.539 484 D N 0.681 121.289 120.400 0.348 0.000 2.144 484 D HA -0.038 4.603 4.640 0.001 0.000 0.200 484 D C 2.373 178.785 176.300 0.187 0.000 0.978 484 D CA 0.751 54.946 54.000 0.325 0.000 0.833 484 D CB -0.154 40.840 40.800 0.322 0.000 0.961 484 D HN 0.440 nan 8.370 nan 0.000 0.470 485 E N -0.001 120.276 120.200 0.128 0.000 2.358 485 E HA -0.117 4.234 4.350 0.001 0.000 0.195 485 E C 1.153 177.780 176.600 0.045 0.000 1.010 485 E CA 0.520 56.962 56.400 0.069 0.000 0.856 485 E CB 0.215 29.952 29.700 0.061 0.000 0.795 485 E HN 0.163 nan 8.360 nan 0.000 0.504 486 D N -0.372 120.036 120.400 0.013 0.000 2.216 486 D HA -0.066 4.575 4.640 0.001 0.000 0.208 486 D C 1.512 177.775 176.300 -0.062 0.000 0.960 486 D CA 1.038 55.001 54.000 -0.062 0.000 0.861 486 D CB 0.194 40.898 40.800 -0.160 0.000 0.985 486 D HN 0.210 nan 8.370 nan 0.000 0.493 487 H N -0.775 118.362 119.070 0.111 0.000 2.363 487 H HA 0.167 4.724 4.556 0.001 0.000 0.301 487 H C 1.550 176.943 175.328 0.109 0.000 1.074 487 H CA 0.919 57.044 56.048 0.128 0.000 1.354 487 H CB 0.229 30.096 29.762 0.175 0.000 1.397 487 H HN 0.097 nan 8.280 nan 0.000 0.516 488 L N 0.320 121.649 121.223 0.178 0.000 2.592 488 L HA 0.190 4.530 4.340 0.001 0.000 0.227 488 L C 1.610 178.499 176.870 0.032 0.000 1.127 488 L CA -0.205 54.670 54.840 0.059 0.000 0.884 488 L CB 0.113 42.143 42.059 -0.048 0.000 1.065 488 L HN 0.216 nan 8.230 nan 0.000 0.457 489 G N -0.494 108.335 108.800 0.049 0.000 2.546 489 G HA2 0.058 4.019 3.960 0.001 0.000 0.239 489 G HA3 0.058 4.019 3.960 0.001 0.000 0.239 489 G C 0.119 175.042 174.900 0.037 0.000 1.476 489 G CA -0.009 45.110 45.100 0.032 0.000 1.064 489 G HN 0.032 nan 8.290 nan 0.000 0.561 490 D N -1.219 119.201 120.400 0.032 0.000 2.461 490 D HA 0.145 4.786 4.640 0.001 0.000 0.266 490 D C 0.884 177.204 176.300 0.034 0.000 1.085 490 D CA 0.630 54.647 54.000 0.029 0.000 0.887 490 D CB 0.612 41.421 40.800 0.015 0.000 1.309 490 D HN 0.460 nan 8.370 nan 0.000 0.498 491 M N -0.450 119.173 119.600 0.038 0.000 2.520 491 M HA 0.503 4.983 4.480 0.001 0.000 0.280 491 M C -1.983 174.363 176.300 0.077 0.000 1.232 491 M CA -0.872 54.462 55.300 0.055 0.000 0.892 491 M CB 3.241 35.873 32.600 0.053 0.000 1.728 491 M HN -0.408 nan 8.290 nan 0.000 0.475 492 D N 1.952 122.405 120.400 0.089 0.000 2.392 492 D HA 0.429 5.070 4.640 0.001 0.000 0.228 492 D C -2.036 174.356 176.300 0.154 0.000 1.074 492 D CA -0.101 53.956 54.000 0.096 0.000 0.838 492 D CB 1.012 41.841 40.800 0.048 0.000 1.067 492 D HN 0.574 nan 8.370 nan 0.000 0.511 493 F N 4.151 124.100 119.950 -0.001 0.000 2.310 493 F HA 0.345 4.872 4.527 0.001 0.000 0.365 493 F C 0.002 175.801 175.800 -0.000 0.000 1.080 493 F CA -0.807 57.190 58.000 -0.004 0.000 1.187 493 F CB 0.301 39.298 39.000 -0.004 0.000 1.465 493 F HN 0.024 nan 8.300 nan 0.000 0.496 494 K N 4.202 124.461 120.400 -0.235 0.000 2.297 494 K HA 0.566 4.887 4.320 0.001 0.000 0.286 494 K C -1.003 175.404 176.600 -0.322 0.000 1.053 494 K CA -0.469 55.702 56.287 -0.195 0.000 0.940 494 K CB 1.636 34.065 32.500 -0.119 0.000 1.019 494 K HN 0.265 nan 8.250 nan 0.000 0.475 495 V N 1.453 121.247 119.914 -0.201 0.000 2.709 495 V HA 0.723 4.843 4.120 0.001 0.000 0.308 495 V C -0.804 175.234 176.094 -0.093 0.000 1.062 495 V CA -1.027 61.166 62.300 -0.178 0.000 0.901 495 V CB 1.707 33.457 31.823 -0.122 0.000 1.003 495 V HN 0.877 nan 8.190 nan 0.000 0.425 496 A N 2.637 125.402 122.820 -0.092 0.000 2.459 496 A HA 1.042 5.363 4.320 0.001 0.000 0.296 496 A C -0.176 177.371 177.584 -0.061 0.000 1.039 496 A CA 0.100 52.096 52.037 -0.068 0.000 0.698 496 A CB 2.001 20.954 19.000 -0.078 0.000 1.261 496 A HN 1.698 nan 8.150 nan 0.000 0.405 497 G N -0.060 108.713 108.800 -0.046 0.000 2.488 497 G HA2 0.672 4.632 3.960 0.001 0.000 0.301 497 G HA3 0.672 4.632 3.960 0.001 0.000 0.301 497 G C -0.185 174.695 174.900 -0.033 0.000 1.339 497 G CA 0.308 45.383 45.100 -0.042 0.000 0.803 497 G HN 1.698 nan 8.290 nan 0.000 0.482 498 S N -0.875 114.807 115.700 -0.031 0.000 2.666 498 S HA 0.421 4.892 4.470 0.001 0.000 0.279 498 S C 1.442 176.034 174.600 -0.014 0.000 1.149 498 S CA -0.005 58.181 58.200 -0.024 0.000 1.020 498 S CB 1.568 64.751 63.200 -0.029 0.000 1.127 498 S HN 0.798 nan 8.310 nan 0.000 0.537 499 R N -0.083 120.411 120.500 -0.010 0.000 2.148 499 R HA -0.054 4.287 4.340 0.001 0.000 0.223 499 R C 0.754 177.052 176.300 -0.003 0.000 1.088 499 R CA 1.466 57.565 56.100 -0.002 0.000 0.985 499 R CB -0.383 29.916 30.300 -0.001 0.000 0.880 499 R HN 0.663 nan 8.270 nan 0.000 0.451 500 D N -0.999 119.396 120.400 -0.009 0.000 2.149 500 D HA 0.091 4.732 4.640 0.001 0.000 0.206 500 D C 0.787 177.079 176.300 -0.013 0.000 0.967 500 D CA 1.351 55.345 54.000 -0.010 0.000 0.848 500 D CB 0.314 41.106 40.800 -0.013 0.000 0.998 500 D HN 0.377 nan 8.370 nan 0.000 0.474 501 G N -0.779 108.009 108.800 -0.019 0.000 2.870 501 G HA2 0.608 4.569 3.960 0.001 0.000 0.299 501 G HA3 0.608 4.569 3.960 0.001 0.000 0.299 501 G C -1.372 173.510 174.900 -0.029 0.000 1.324 501 G CA -0.715 44.370 45.100 -0.026 0.000 0.808 501 G HN -0.001 nan 8.290 nan 0.000 0.535 502 I N 1.118 121.665 120.570 -0.038 0.000 2.377 502 I HA 0.297 4.468 4.170 0.001 0.000 0.293 502 I C 1.193 177.278 176.117 -0.053 0.000 0.987 502 I CA -0.580 60.693 61.300 -0.044 0.000 1.185 502 I CB 2.318 40.291 38.000 -0.045 0.000 1.341 502 I HN 0.584 nan 8.210 nan 0.000 0.455 503 S N 3.713 119.379 115.700 -0.057 0.000 2.502 503 S HA 0.463 4.933 4.470 0.001 0.000 0.228 503 S C 0.608 175.168 174.600 -0.066 0.000 1.061 503 S CA 0.057 58.221 58.200 -0.060 0.000 0.935 503 S CB 0.477 63.640 63.200 -0.061 0.000 0.809 503 S HN 0.703 nan 8.310 nan 0.000 0.510 504 A N 0.756 123.528 122.820 -0.079 0.000 2.486 504 A HA 0.791 5.111 4.320 0.001 0.000 0.300 504 A C -1.662 175.848 177.584 -0.123 0.000 1.048 504 A CA -0.627 51.354 52.037 -0.094 0.000 0.696 504 A CB 1.740 20.680 19.000 -0.099 0.000 1.278 504 A HN 0.653 nan 8.150 nan 0.000 0.405 505 L N 1.232 122.371 121.223 -0.141 0.000 2.555 505 L HA 0.546 4.887 4.340 0.001 0.000 0.264 505 L C -0.717 176.023 176.870 -0.217 0.000 0.972 505 L CA 0.140 54.849 54.840 -0.218 0.000 0.876 505 L CB 1.784 43.721 42.059 -0.204 0.000 1.216 505 L HN 0.834 nan 8.230 nan 0.000 0.415 506 Q N 4.778 124.425 119.800 -0.256 0.000 2.312 506 Q HA 0.716 5.057 4.340 0.001 0.000 0.263 506 Q C -1.522 174.345 176.000 -0.223 0.000 0.995 506 Q CA -0.635 55.054 55.803 -0.189 0.000 0.853 506 Q CB 1.981 30.638 28.738 -0.134 0.000 1.300 506 Q HN 0.815 nan 8.270 nan 0.000 0.448 507 M N 3.852 123.387 119.600 -0.109 0.000 2.326 507 M HA 0.353 4.834 4.480 0.001 0.000 0.292 507 M C -2.154 174.162 176.300 0.026 0.000 1.081 507 M CA -0.518 54.782 55.300 0.001 0.000 0.919 507 M CB 1.883 34.549 32.600 0.111 0.000 1.634 507 M HN 0.694 nan 8.290 nan 0.000 0.451 508 D N 5.540 125.970 120.400 0.050 0.000 2.330 508 D HA 0.324 4.965 4.640 0.001 0.000 0.249 508 D C -1.232 175.099 176.300 0.050 0.000 1.306 508 D CA -0.249 53.774 54.000 0.039 0.000 0.956 508 D CB 0.261 41.074 40.800 0.022 0.000 1.261 508 D HN 0.409 nan 8.370 nan 0.000 0.544 509 I N 1.464 122.060 120.570 0.043 0.000 2.395 509 I HA 0.181 4.352 4.170 0.001 0.000 0.289 509 I C 1.670 177.803 176.117 0.027 0.000 1.023 509 I CA -0.259 61.060 61.300 0.032 0.000 1.350 509 I CB 1.343 39.349 38.000 0.010 0.000 1.409 509 I HN 0.182 nan 8.210 nan 0.000 0.507 510 K N 6.177 126.597 120.400 0.033 0.000 2.426 510 K HA 0.261 4.581 4.320 0.001 0.000 0.193 510 K C 0.033 176.644 176.600 0.018 0.000 1.028 510 K CA 0.515 56.826 56.287 0.039 0.000 1.047 510 K CB 0.021 32.558 32.500 0.061 0.000 0.821 510 K HN 0.612 nan 8.250 nan 0.000 0.513 511 I N -2.229 118.342 120.570 0.001 0.000 2.647 511 I HA 0.322 4.493 4.170 0.001 0.000 0.295 511 I C -1.048 175.046 176.117 -0.037 0.000 1.078 511 I CA -1.107 60.183 61.300 -0.017 0.000 1.048 511 I CB 2.158 40.153 38.000 -0.009 0.000 1.239 511 I HN -0.258 nan 8.210 nan 0.000 0.421 512 E N 3.953 124.122 120.200 -0.053 0.000 2.614 512 E HA 0.261 4.611 4.350 0.001 0.000 0.321 512 E C 0.836 177.398 176.600 -0.062 0.000 1.354 512 E CA 0.333 56.693 56.400 -0.066 0.000 1.469 512 E CB 0.135 29.786 29.700 -0.082 0.000 1.197 512 E HN 0.883 nan 8.360 nan 0.000 0.497 513 G N 0.370 109.132 108.800 -0.063 0.000 2.797 513 G HA2 0.047 4.008 3.960 0.001 0.000 0.209 513 G HA3 0.047 4.008 3.960 0.001 0.000 0.209 513 G C 0.315 175.154 174.900 -0.102 0.000 1.080 513 G CA -0.511 44.545 45.100 -0.074 0.000 0.897 513 G HN 0.265 nan 8.290 nan 0.000 0.641 514 I N 3.166 123.674 120.570 -0.103 0.000 3.192 514 I HA -0.018 4.153 4.170 0.001 0.000 0.314 514 I C 0.689 176.708 176.117 -0.163 0.000 1.243 514 I CA 0.921 62.142 61.300 -0.132 0.000 1.404 514 I CB 0.128 38.063 38.000 -0.109 0.000 1.374 514 I HN -0.110 nan 8.210 nan 0.000 0.522 515 T N 6.037 120.472 114.554 -0.199 0.000 2.944 515 T HA 0.202 4.553 4.350 0.001 0.000 0.284 515 T C 1.072 175.650 174.700 -0.203 0.000 1.010 515 T CA -0.833 61.145 62.100 -0.204 0.000 1.025 515 T CB 2.022 70.743 68.868 -0.245 0.000 1.079 515 T HN 0.614 nan 8.240 nan 0.000 0.516 516 K N 1.060 121.360 120.400 -0.167 0.000 1.965 516 K HA -0.130 4.191 4.320 0.001 0.000 0.214 516 K C 2.255 178.772 176.600 -0.139 0.000 1.046 516 K CA 1.611 57.816 56.287 -0.136 0.000 0.944 516 K CB -0.124 32.319 32.500 -0.096 0.000 0.726 516 K HN 0.715 nan 8.250 nan 0.000 0.441 517 E N 1.795 121.913 120.200 -0.136 0.000 2.085 517 E HA -0.236 4.115 4.350 0.001 0.000 0.194 517 E C 2.182 178.676 176.600 -0.177 0.000 0.994 517 E CA 1.748 58.077 56.400 -0.118 0.000 0.801 517 E CB -0.943 28.702 29.700 -0.091 0.000 0.743 517 E HN 0.663 nan 8.360 nan 0.000 0.453 518 I N -1.269 119.112 120.570 -0.315 0.000 2.248 518 I HA -0.251 3.919 4.170 0.001 0.000 0.248 518 I C 2.891 178.818 176.117 -0.316 0.000 1.107 518 I CA 1.989 63.017 61.300 -0.454 0.000 1.373 518 I CB -0.454 37.142 38.000 -0.674 0.000 1.055 518 I HN -0.003 nan 8.210 nan 0.000 0.418 519 M N 0.024 119.455 119.600 -0.283 0.000 2.319 519 M HA -0.172 4.309 4.480 0.001 0.000 0.265 519 M C 2.264 178.436 176.300 -0.215 0.000 1.068 519 M CA 1.587 56.699 55.300 -0.313 0.000 1.118 519 M CB -0.057 32.423 32.600 -0.200 0.000 1.395 519 M HN 0.423 nan 8.290 nan 0.000 0.435 520 Q N -0.108 119.617 119.800 -0.126 0.000 2.083 520 Q HA -0.097 4.244 4.340 0.001 0.000 0.198 520 Q C 1.584 177.558 176.000 -0.044 0.000 0.969 520 Q CA 1.962 57.733 55.803 -0.055 0.000 0.838 520 Q CB -0.445 28.271 28.738 -0.035 0.000 0.900 520 Q HN 0.440 nan 8.270 nan 0.000 0.436 521 V N 0.878 120.759 119.914 -0.056 0.000 2.343 521 V HA -0.238 3.883 4.120 0.001 0.000 0.247 521 V C 2.303 178.377 176.094 -0.032 0.000 1.051 521 V CA 1.807 64.102 62.300 -0.008 0.000 1.036 521 V CB -1.318 30.549 31.823 0.073 0.000 0.654 521 V HN 0.506 nan 8.190 nan 0.000 0.451 522 A N -0.633 122.105 122.820 -0.137 0.000 1.968 522 A HA -0.097 4.223 4.320 0.001 0.000 0.217 522 A C 2.107 179.691 177.584 -0.000 0.000 1.169 522 A CA 1.601 53.526 52.037 -0.187 0.000 0.638 522 A CB -0.378 18.263 19.000 -0.598 0.000 0.812 522 A HN 0.442 nan 8.150 nan 0.000 0.446 523 L N -0.228 121.020 121.223 0.043 0.000 2.209 523 L HA 0.054 4.395 4.340 0.001 0.000 0.207 523 L C 1.885 178.826 176.870 0.118 0.000 1.094 523 L CA 1.814 56.785 54.840 0.219 0.000 0.790 523 L CB -0.489 41.698 42.059 0.214 0.000 0.932 523 L HN 0.437 nan 8.230 nan 0.000 0.447 524 N N -0.870 117.868 118.700 0.063 0.000 2.300 524 N HA -0.202 4.539 4.740 0.001 0.000 0.179 524 N C 1.857 177.396 175.510 0.050 0.000 1.016 524 N CA 1.092 54.170 53.050 0.048 0.000 0.876 524 N CB 0.012 38.518 38.487 0.031 0.000 0.979 524 N HN 0.432 nan 8.380 nan 0.000 0.432 525 Q N -0.881 118.950 119.800 0.051 0.000 2.297 525 Q HA 0.104 4.445 4.340 0.001 0.000 0.204 525 Q C 1.626 177.667 176.000 0.069 0.000 0.962 525 Q CA 0.964 56.796 55.803 0.049 0.000 0.879 525 Q CB -0.040 28.722 28.738 0.040 0.000 0.947 525 Q HN 0.481 nan 8.270 nan 0.000 0.462 526 A N 0.795 123.673 122.820 0.098 0.000 1.968 526 A HA -0.156 4.165 4.320 0.001 0.000 0.217 526 A C 1.933 179.561 177.584 0.075 0.000 1.169 526 A CA 1.199 53.300 52.037 0.105 0.000 0.638 526 A CB -0.327 18.763 19.000 0.150 0.000 0.812 526 A HN 0.246 nan 8.150 nan 0.000 0.446 527 K N -0.413 120.026 120.400 0.065 0.000 2.057 527 K HA -0.118 4.203 4.320 0.001 0.000 0.207 527 K C 2.032 178.664 176.600 0.054 0.000 1.049 527 K CA 1.418 57.735 56.287 0.050 0.000 0.931 527 K CB -0.467 32.058 32.500 0.042 0.000 0.714 527 K HN 0.393 nan 8.250 nan 0.000 0.440 528 G N 0.335 109.167 108.800 0.054 0.000 2.404 528 G HA2 -0.210 3.751 3.960 0.001 0.000 0.215 528 G HA3 -0.210 3.751 3.960 0.001 0.000 0.215 528 G C 1.555 176.502 174.900 0.078 0.000 1.174 528 G CA 0.818 45.952 45.100 0.057 0.000 0.780 528 G HN 0.421 nan 8.290 nan 0.000 0.537 529 A N 0.304 123.167 122.820 0.071 0.000 2.015 529 A HA 0.068 4.388 4.320 0.001 0.000 0.219 529 A C 2.290 179.948 177.584 0.122 0.000 1.163 529 A CA 1.704 53.794 52.037 0.087 0.000 0.646 529 A CB -0.340 18.702 19.000 0.071 0.000 0.806 529 A HN 0.363 nan 8.150 nan 0.000 0.448 530 R N -1.074 119.483 120.500 0.094 0.000 2.075 530 R HA 0.019 4.360 4.340 0.001 0.000 0.226 530 R C 1.687 178.038 176.300 0.085 0.000 1.114 530 R CA 1.009 57.157 56.100 0.080 0.000 0.972 530 R CB -0.288 30.041 30.300 0.048 0.000 0.869 530 R HN 0.388 nan 8.270 nan 0.000 0.437 531 L N -0.184 121.090 121.223 0.085 0.000 2.201 531 L HA -0.123 4.217 4.340 0.001 0.000 0.212 531 L C 2.120 179.047 176.870 0.096 0.000 1.105 531 L CA 1.639 56.523 54.840 0.074 0.000 0.775 531 L CB -0.582 41.515 42.059 0.063 0.000 0.913 531 L HN 0.299 nan 8.230 nan 0.000 0.440 532 H N -0.779 118.317 119.070 0.043 0.000 2.389 532 H HA -0.063 4.495 4.556 0.002 0.000 0.299 532 H C 2.146 177.513 175.328 0.065 0.000 1.081 532 H CA 1.709 57.785 56.048 0.048 0.000 1.345 532 H CB 0.120 29.910 29.762 0.047 0.000 1.393 532 H HN 0.275 nan 8.280 nan 0.000 0.520 533 I N -0.252 120.397 120.570 0.132 0.000 2.286 533 I HA -0.194 3.977 4.170 0.001 0.000 0.245 533 I C 2.030 178.189 176.117 0.070 0.000 1.104 533 I CA 0.713 62.089 61.300 0.127 0.000 1.397 533 I CB -0.148 37.978 38.000 0.210 0.000 1.072 533 I HN 0.241 nan 8.210 nan 0.000 0.417 534 L N 0.637 121.888 121.223 0.046 0.000 2.131 534 L HA -0.129 4.212 4.340 0.001 0.000 0.210 534 L C 2.626 179.499 176.870 0.003 0.000 1.092 534 L CA 1.428 56.282 54.840 0.023 0.000 0.759 534 L CB -0.926 41.144 42.059 0.018 0.000 0.903 534 L HN 0.319 nan 8.230 nan 0.000 0.435 535 G N -0.642 108.144 108.800 -0.023 0.000 2.408 535 G HA2 -0.166 3.794 3.960 0.001 0.000 0.217 535 G HA3 -0.166 3.794 3.960 0.001 0.000 0.217 535 G C 1.519 176.387 174.900 -0.053 0.000 1.150 535 G CA 0.890 45.962 45.100 -0.046 0.000 0.776 535 G HN 0.227 nan 8.290 nan 0.000 0.542 536 V N 0.748 120.619 119.914 -0.071 0.000 2.591 536 V HA -0.049 4.072 4.120 0.001 0.000 0.249 536 V C 2.773 178.880 176.094 0.021 0.000 1.053 536 V CA 1.480 63.755 62.300 -0.041 0.000 1.068 536 V CB -0.330 31.458 31.823 -0.058 0.000 0.689 536 V HN 0.329 nan 8.190 nan 0.000 0.462 537 M N -0.346 119.284 119.600 0.051 0.000 2.229 537 M HA -0.150 4.331 4.480 0.001 0.000 0.264 537 M C 2.093 178.412 176.300 0.033 0.000 1.063 537 M CA 1.656 56.997 55.300 0.068 0.000 1.114 537 M CB -0.313 32.326 32.600 0.065 0.000 1.387 537 M HN 0.370 nan 8.290 nan 0.000 0.420 538 E N -0.195 120.014 120.200 0.014 0.000 2.285 538 E HA -0.148 4.202 4.350 0.001 0.000 0.194 538 E C 1.893 178.495 176.600 0.004 0.000 0.997 538 E CA 0.587 56.991 56.400 0.006 0.000 0.845 538 E CB 0.020 29.720 29.700 -0.000 0.000 0.782 538 E HN 0.597 nan 8.360 nan 0.000 0.491 539 Q N 0.249 120.051 119.800 0.002 0.000 2.167 539 Q HA -0.085 4.255 4.340 0.001 0.000 0.202 539 Q C 2.008 178.012 176.000 0.006 0.000 0.970 539 Q CA 1.109 56.912 55.803 -0.000 0.000 0.855 539 Q CB 0.025 28.758 28.738 -0.008 0.000 0.911 539 Q HN 0.201 nan 8.270 nan 0.000 0.438 540 A N 0.891 123.720 122.820 0.015 0.000 1.832 540 A HA 0.100 4.421 4.320 0.001 0.000 0.214 540 A C 1.053 178.646 177.584 0.014 0.000 1.242 540 A CA 0.454 52.502 52.037 0.018 0.000 0.603 540 A CB -0.032 18.987 19.000 0.033 0.000 0.902 540 A HN 0.337 nan 8.150 nan 0.000 0.455 541 I N -1.177 119.402 120.570 0.016 0.000 2.509 541 I HA 0.346 4.517 4.170 0.001 0.000 0.293 541 I C -0.180 175.940 176.117 0.005 0.000 1.020 541 I CA -0.796 60.510 61.300 0.010 0.000 1.088 541 I CB 1.853 39.859 38.000 0.010 0.000 1.267 541 I HN 0.229 nan 8.210 nan 0.000 0.430 542 N N 5.012 123.713 118.700 0.001 0.000 2.499 542 N HA 0.317 5.058 4.740 0.001 0.000 0.182 542 N C -0.388 175.118 175.510 -0.007 0.000 1.034 542 N CA 0.351 53.400 53.050 -0.002 0.000 0.882 542 N CB 0.595 39.081 38.487 -0.002 0.000 1.125 542 N HN 0.609 nan 8.380 nan 0.000 0.436 543 A N 0.867 123.683 122.820 -0.007 0.000 2.520 543 A HA 0.680 5.001 4.320 0.001 0.000 0.298 543 A C -2.545 175.031 177.584 -0.014 0.000 1.051 543 A CA -1.004 51.026 52.037 -0.013 0.000 0.690 543 A CB 0.977 19.971 19.000 -0.011 0.000 1.281 543 A HN -0.101 nan 8.150 nan 0.000 0.402 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 544 P CB 0.000 31.670 31.700 -0.049 0.000 0.726