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 3ciy_1_A DATA FIRST_RESID 28 DATA SEQUENCE cTVRYNVADc SHLKLTHIPD DLPSNITVLN LTHNQLRRLP PTNFTRYSQL DATA SEQUENCE AILDAGFNSI SKLEPELcQI LPLLKVLNLQ HNELSQISDQ TFVFcTNLTE DATA SEQUENCE LDLMSNSIHK IKSNPFKNQK NLIKLDLSHN GLSSTKLGTG VQLENLQELL DATA SEQUENCE LAKNKILALR SEELEFLGNS SLRKLDLSSN PLKEFSPGCF QTIGKLFALL DATA SEQUENCE LNNAQLNPHL TEKLCWELSN TSIQNLSLAN NQLLATSEST FSGLKWTNLT DATA SEQUENCE QLDLSYNNLH DVGNGSFSYL PSLRYLSLEY NNIQRLSPRS FYGLSNLRYL DATA SEQUENCE SLKRAFTKXX XXXXSHPNID DFSFQWLKYL EYLNMDDNNI PSTKSNTFTG DATA SEQUENCE LVSLKYLSLS KTFTSLQTLT NETFVSLAHS PLLTLNLTKN HISKIANGTF DATA SEQUENCE SWLGQLRILD LGLNEIEQKL SGQEWRGLRN IFEIYLSYNK YLQLSTSSFA DATA SEQUENCE LVPSLQRLML RRVALKNVDI SPSPFRPLRN LTILDLSNNN IANINEDLLE DATA SEQUENCE GLENLEILDF QHNNLARLWX XXNPGGPVNF LKGLSHLHIL NLESNGLDEI DATA SEQUENCE PVGVFKNLFE LKSINLGLNN LNKLEPFIFD DQTSLRSLNL QKNLITSVEK DATA SEQUENCE DVFGPPFQNL NSLDMRFNPF DcTcESISWF VNWINQTHTN ISELSTHYLc DATA SEQUENCE NTPHHYYGFP LKLFDTSScK 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 28 c HA 0.000 nan 4.570 nan 0.000 0.325 28 c C 0.000 174.100 174.090 0.017 0.000 1.270 28 c CA 0.000 56.340 56.329 0.018 0.000 1.963 28 c CB 0.000 42.520 42.510 0.017 0.000 2.134 29 T N 0.253 114.818 114.554 0.017 0.000 3.088 29 T HA 0.015 4.367 4.350 0.003 0.000 0.259 29 T C 1.002 175.715 174.700 0.023 0.000 1.122 29 T CA 1.031 63.145 62.100 0.023 0.000 1.095 29 T CB -0.173 68.711 68.868 0.027 0.000 0.930 29 T HN 0.997 nan 8.240 nan 0.000 0.508 30 V N 1.844 121.767 119.914 0.015 0.000 4.482 30 V HA -0.253 3.869 4.120 0.003 0.000 0.232 30 V C 0.725 176.819 176.094 -0.001 0.000 0.583 30 V CA 0.376 62.677 62.300 0.002 0.000 0.816 30 V CB -1.843 29.967 31.823 -0.022 0.000 0.795 30 V HN 0.528 nan 8.190 nan 0.000 1.066 31 R N -0.566 119.963 120.500 0.049 0.000 2.619 31 R HA 0.008 4.350 4.340 0.003 0.000 0.268 31 R C 0.317 176.702 176.300 0.141 0.000 0.990 31 R CA -0.026 56.153 56.100 0.132 0.000 1.092 31 R CB -0.018 30.350 30.300 0.112 0.000 0.935 31 R HN 0.418 nan 8.270 nan 0.000 0.415 32 Y N 3.847 124.144 120.300 -0.005 0.000 2.867 32 Y HA -0.318 4.234 4.550 0.003 0.000 0.367 32 Y C 1.916 177.812 175.900 -0.006 0.000 1.310 32 Y CA 1.240 59.336 58.100 -0.006 0.000 1.655 32 Y CB -0.405 38.050 38.460 -0.010 0.000 1.181 32 Y HN 0.791 nan 8.280 nan 0.000 0.533 33 N N 0.064 118.811 118.700 0.078 0.000 2.356 33 N HA -0.271 4.471 4.740 0.003 0.000 0.217 33 N C -0.426 175.111 175.510 0.046 0.000 0.296 33 N CA 1.823 54.904 53.050 0.053 0.000 4.166 33 N CB -1.063 37.463 38.487 0.064 0.000 0.821 33 N HN 0.458 nan 8.380 nan 0.000 0.229 34 V N 0.479 120.425 119.914 0.054 0.000 2.427 34 V HA 0.795 4.917 4.120 0.003 0.000 0.268 34 V C 0.901 177.016 176.094 0.035 0.000 1.046 34 V CA -0.114 62.208 62.300 0.036 0.000 0.970 34 V CB 0.621 32.459 31.823 0.024 0.000 1.001 34 V HN 0.562 nan 8.190 nan 0.000 0.476 35 A N 4.152 126.991 122.820 0.032 0.000 2.444 35 A HA 0.345 4.666 4.320 0.003 0.000 0.273 35 A C 0.289 177.875 177.584 0.004 0.000 1.136 35 A CA -0.094 51.960 52.037 0.029 0.000 0.799 35 A CB -0.018 19.009 19.000 0.046 0.000 1.081 35 A HN 0.972 nan 8.150 nan 0.000 0.509 36 D N 3.207 123.610 120.400 0.005 0.000 2.446 36 D HA 0.295 4.936 4.640 0.003 0.000 0.251 36 D C -1.121 175.170 176.300 -0.015 0.000 1.137 36 D CA -0.202 53.791 54.000 -0.011 0.000 0.890 36 D CB 0.900 41.698 40.800 -0.003 0.000 1.071 36 D HN 0.442 nan 8.370 nan 0.000 0.528 37 c N 3.617 122.199 118.600 -0.030 0.000 2.146 37 c HA 0.262 4.834 4.570 0.003 0.000 0.338 37 c C 1.988 176.040 174.090 -0.063 0.000 1.074 37 c CA -0.674 55.638 56.329 -0.027 0.000 1.527 37 c CB -0.530 41.969 42.510 -0.020 0.000 1.915 37 c HN 0.562 nan 8.230 nan 0.000 0.453 38 S N 1.310 116.969 115.700 -0.069 0.000 2.444 38 S HA -0.131 4.341 4.470 0.003 0.000 0.225 38 S C 0.558 174.900 174.600 -0.429 0.000 1.042 38 S CA 1.306 59.392 58.200 -0.191 0.000 1.132 38 S CB -0.190 63.004 63.200 -0.010 0.000 1.099 38 S HN 0.848 nan 8.310 nan 0.000 0.417 39 H N -0.657 118.437 119.070 0.041 0.000 3.277 39 H HA 0.321 4.878 4.556 0.003 0.000 0.329 39 H C -1.035 174.312 175.328 0.031 0.000 1.034 39 H CA -0.370 55.706 56.048 0.047 0.000 1.530 39 H CB 0.961 30.721 29.762 -0.003 0.000 1.837 39 H HN 0.106 nan 8.280 nan 0.000 0.493 40 L N 1.410 122.707 121.223 0.124 0.000 2.920 40 L HA 0.181 4.522 4.340 0.003 0.000 0.257 40 L C 1.398 178.307 176.870 0.065 0.000 1.150 40 L CA -0.045 54.842 54.840 0.078 0.000 0.959 40 L CB 0.192 42.281 42.059 0.050 0.000 1.321 40 L HN 0.439 nan 8.230 nan 0.000 0.555 41 K N 1.231 121.678 120.400 0.079 0.000 3.069 41 K HA -0.206 4.116 4.320 0.003 0.000 0.267 41 K C 0.011 176.632 176.600 0.034 0.000 1.082 41 K CA 0.299 56.620 56.287 0.057 0.000 0.782 41 K CB -1.339 31.187 32.500 0.044 0.000 1.230 41 K HN 0.362 nan 8.250 nan 0.000 0.488 42 L N 0.832 122.076 121.223 0.036 0.000 2.506 42 L HA -0.046 4.296 4.340 0.003 0.000 0.281 42 L C 2.069 178.933 176.870 -0.011 0.000 1.228 42 L CA 1.051 55.903 54.840 0.019 0.000 0.850 42 L CB 0.728 42.802 42.059 0.025 0.000 1.110 42 L HN 0.498 nan 8.230 nan 0.000 0.496 43 T N 0.256 114.790 114.554 -0.033 0.000 2.898 43 T HA 0.108 4.459 4.350 0.003 0.000 0.241 43 T C 0.852 175.406 174.700 -0.243 0.000 1.024 43 T CA 0.069 62.083 62.100 -0.144 0.000 1.174 43 T CB -0.021 68.759 68.868 -0.147 0.000 0.873 43 T HN 0.510 nan 8.240 nan 0.000 0.422 44 H N -0.080 118.995 119.070 0.008 0.000 2.676 44 H HA 0.447 5.005 4.556 0.003 0.000 0.352 44 H C -0.469 174.861 175.328 0.002 0.000 1.193 44 H CA -1.268 54.780 56.048 0.001 0.000 1.243 44 H CB 1.426 31.185 29.762 -0.005 0.000 1.751 44 H HN 0.132 nan 8.280 nan 0.000 0.567 45 I N 5.233 125.888 120.570 0.141 0.000 2.483 45 I HA 0.048 4.219 4.170 0.003 0.000 0.291 45 I C -1.900 174.252 176.117 0.059 0.000 1.112 45 I CA -1.372 59.975 61.300 0.079 0.000 1.350 45 I CB -0.066 37.976 38.000 0.071 0.000 1.419 45 I HN 0.340 nan 8.210 nan 0.000 0.523 46 P HA 0.238 nan 4.420 nan 0.000 0.274 46 P C -1.136 176.178 177.300 0.023 0.000 1.237 46 P CA -0.132 62.990 63.100 0.037 0.000 0.793 46 P CB 0.819 32.541 31.700 0.036 0.000 0.977 47 D N -0.987 119.473 120.400 0.100 0.000 3.453 47 D HA 0.078 4.719 4.640 0.003 0.000 0.312 47 D C -0.119 176.305 176.300 0.207 0.000 1.349 47 D CA -0.461 53.689 54.000 0.250 0.000 0.739 47 D CB -0.519 40.443 40.800 0.270 0.000 1.312 47 D HN 0.167 nan 8.370 nan 0.000 0.628 48 D N -0.668 119.827 120.400 0.159 0.000 2.455 48 D HA 0.056 4.697 4.640 0.003 0.000 0.228 48 D C 0.768 177.118 176.300 0.084 0.000 1.070 48 D CA -0.010 54.048 54.000 0.097 0.000 0.881 48 D CB 0.369 41.207 40.800 0.064 0.000 1.087 48 D HN 0.192 nan 8.370 nan 0.000 0.498 49 L N 0.698 121.993 121.223 0.120 0.000 2.600 49 L HA 0.409 4.750 4.340 0.003 0.000 0.221 49 L C -1.663 175.233 176.870 0.044 0.000 1.197 49 L CA -1.402 53.486 54.840 0.079 0.000 0.838 49 L CB -0.710 41.405 42.059 0.092 0.000 1.474 49 L HN -0.142 nan 8.230 nan 0.000 0.514 50 P HA 0.058 nan 4.420 nan 0.000 0.268 50 P C -0.163 176.980 177.300 -0.263 0.000 1.208 50 P CA 0.319 63.361 63.100 -0.097 0.000 0.777 50 P CB 0.563 32.217 31.700 -0.076 0.000 0.875 51 S N 0.142 115.648 115.700 -0.324 0.000 2.559 51 S HA 0.070 4.542 4.470 0.003 0.000 0.226 51 S C 0.607 175.026 174.600 -0.303 0.000 1.000 51 S CA -0.006 57.884 58.200 -0.517 0.000 0.948 51 S CB -0.438 62.543 63.200 -0.365 0.000 0.870 51 S HN 0.473 nan 8.310 nan 0.000 0.497 52 N N 2.900 121.487 118.700 -0.187 0.000 3.091 52 N HA 0.339 5.081 4.740 0.003 0.000 0.255 52 N C -0.591 174.874 175.510 -0.075 0.000 1.204 52 N CA -0.336 52.649 53.050 -0.108 0.000 0.990 52 N CB -0.005 38.433 38.487 -0.082 0.000 1.260 52 N HN 0.242 nan 8.380 nan 0.000 0.502 53 I N -0.946 119.590 120.570 -0.058 0.000 3.334 53 I HA 0.529 4.700 4.170 0.003 0.000 0.316 53 I C -0.249 175.875 176.117 0.012 0.000 1.251 53 I CA -0.761 60.535 61.300 -0.006 0.000 0.929 53 I CB 1.279 39.299 38.000 0.034 0.000 1.317 53 I HN 0.190 nan 8.210 nan 0.000 0.479 54 T N -0.933 113.634 114.554 0.022 0.000 3.087 54 T HA 0.603 4.955 4.350 0.003 0.000 0.283 54 T C -0.032 174.674 174.700 0.009 0.000 0.956 54 T CA -0.147 61.961 62.100 0.014 0.000 0.894 54 T CB -0.240 68.632 68.868 0.006 0.000 1.160 54 T HN 0.634 nan 8.240 nan 0.000 0.532 55 V N 1.915 121.840 119.914 0.018 0.000 3.077 55 V HA 0.664 4.786 4.120 0.003 0.000 0.299 55 V C -1.805 174.289 176.094 -0.000 0.000 1.276 55 V CA -1.006 61.291 62.300 -0.004 0.000 0.993 55 V CB 2.679 34.497 31.823 -0.009 0.000 1.076 55 V HN 0.394 nan 8.190 nan 0.000 0.434 56 L N 3.803 125.002 121.223 -0.041 0.000 2.516 56 L HA 0.589 4.930 4.340 0.003 0.000 0.267 56 L C -1.429 175.395 176.870 -0.077 0.000 0.957 56 L CA -0.161 54.643 54.840 -0.059 0.000 0.860 56 L CB 2.014 44.001 42.059 -0.119 0.000 1.265 56 L HN 0.861 nan 8.230 nan 0.000 0.403 57 N N 5.715 124.377 118.700 -0.064 0.000 2.426 57 N HA 0.323 5.065 4.740 0.003 0.000 0.257 57 N C -0.087 175.378 175.510 -0.076 0.000 1.002 57 N CA -0.246 52.758 53.050 -0.076 0.000 0.942 57 N CB 1.382 39.826 38.487 -0.072 0.000 1.112 57 N HN 0.858 nan 8.380 nan 0.000 0.499 58 L N 1.795 122.970 121.223 -0.080 0.000 2.858 58 L HA 0.154 4.496 4.340 0.003 0.000 0.251 58 L C 0.553 177.382 176.870 -0.068 0.000 1.149 58 L CA 0.010 54.816 54.840 -0.056 0.000 0.955 58 L CB 0.316 42.356 42.059 -0.032 0.000 1.289 58 L HN 0.412 nan 8.230 nan 0.000 0.542 59 T N 0.155 114.627 114.554 -0.136 0.000 2.939 59 T HA -0.027 4.325 4.350 0.003 0.000 0.319 59 T C 0.158 174.715 174.700 -0.237 0.000 1.082 59 T CA 0.499 62.441 62.100 -0.262 0.000 1.133 59 T CB 0.024 68.609 68.868 -0.472 0.000 1.019 59 T HN 0.285 nan 8.240 nan 0.000 0.548 60 H N 0.604 119.670 119.070 -0.008 0.000 2.889 60 H HA -0.125 4.432 4.556 0.003 0.000 0.324 60 H C -0.303 175.067 175.328 0.071 0.000 1.274 60 H CA 0.397 56.471 56.048 0.042 0.000 1.176 60 H CB -1.752 27.918 29.762 -0.154 0.000 1.479 60 H HN 0.584 nan 8.280 nan 0.000 0.438 61 N N 0.041 118.830 118.700 0.148 0.000 2.708 61 N HA 0.247 4.989 4.740 0.003 0.000 0.257 61 N C -0.729 174.830 175.510 0.081 0.000 1.373 61 N CA -0.808 52.303 53.050 0.102 0.000 0.843 61 N CB 1.318 39.840 38.487 0.058 0.000 1.503 61 N HN 0.148 nan 8.380 nan 0.000 0.504 62 Q N 0.857 120.687 119.800 0.052 0.000 2.337 62 Q HA 0.432 4.773 4.340 0.003 0.000 0.255 62 Q C -1.090 174.912 176.000 0.004 0.000 0.997 62 Q CA -0.253 55.566 55.803 0.027 0.000 0.925 62 Q CB 0.661 29.404 28.738 0.008 0.000 1.212 62 Q HN 0.246 nan 8.270 nan 0.000 0.436 63 L N 2.542 123.773 121.223 0.014 0.000 2.325 63 L HA 0.320 4.662 4.340 0.003 0.000 0.281 63 L C 1.098 177.970 176.870 0.003 0.000 1.004 63 L CA -0.037 54.808 54.840 0.009 0.000 0.823 63 L CB 1.401 43.479 42.059 0.032 0.000 1.236 63 L HN 0.564 nan 8.230 nan 0.000 0.415 64 R N 2.743 123.237 120.500 -0.009 0.000 2.088 64 R HA 0.027 4.369 4.340 0.003 0.000 0.232 64 R C 0.178 176.482 176.300 0.007 0.000 1.136 64 R CA 1.472 57.569 56.100 -0.005 0.000 0.926 64 R CB 0.305 30.606 30.300 0.000 0.000 0.837 64 R HN 0.712 nan 8.270 nan 0.000 0.429 65 R N -1.143 119.364 120.500 0.012 0.000 2.741 65 R HA 0.180 4.521 4.340 0.003 0.000 0.274 65 R C -1.481 174.824 176.300 0.009 0.000 1.029 65 R CA -0.728 55.379 56.100 0.010 0.000 0.880 65 R CB 0.477 30.776 30.300 -0.002 0.000 1.264 65 R HN 0.072 nan 8.270 nan 0.000 0.465 66 L N 1.916 123.146 121.223 0.011 0.000 2.259 66 L HA 0.358 4.699 4.340 0.003 0.000 0.288 66 L C -2.044 174.738 176.870 -0.145 0.000 1.051 66 L CA -1.997 52.844 54.840 0.000 0.000 0.824 66 L CB 1.440 43.571 42.059 0.120 0.000 1.206 66 L HN 0.286 nan 8.230 nan 0.000 0.429 67 P HA 0.030 nan 4.420 nan 0.000 0.263 67 P C -1.789 175.151 177.300 -0.600 0.000 1.247 67 P CA -0.892 61.994 63.100 -0.356 0.000 0.876 67 P CB 0.227 31.730 31.700 -0.328 0.000 0.928 68 P HA -0.157 nan 4.420 nan 0.000 0.228 68 P C 0.766 177.925 177.300 -0.234 0.000 1.151 68 P CA 1.498 64.451 63.100 -0.245 0.000 0.770 68 P CB -0.078 31.558 31.700 -0.107 0.000 0.786 69 T N -5.750 108.645 114.554 -0.263 0.000 2.990 69 T HA 0.149 4.501 4.350 0.003 0.000 0.250 69 T C 1.307 175.908 174.700 -0.165 0.000 1.041 69 T CA -0.021 61.983 62.100 -0.161 0.000 1.010 69 T CB -0.898 67.903 68.868 -0.111 0.000 1.003 69 T HN -0.074 nan 8.240 nan 0.000 0.499 70 N N 0.982 119.488 118.700 -0.323 0.000 2.515 70 N HA 0.177 4.919 4.740 0.003 0.000 0.191 70 N C -0.621 174.881 175.510 -0.013 0.000 1.182 70 N CA 0.226 53.151 53.050 -0.209 0.000 0.879 70 N CB -0.355 37.972 38.487 -0.266 0.000 0.984 70 N HN 0.361 nan 8.380 nan 0.000 0.453 71 F N -0.643 119.320 119.950 0.022 0.000 2.983 71 F HA 0.329 4.858 4.527 0.003 0.000 0.307 71 F C 1.280 177.122 175.800 0.070 0.000 1.218 71 F CA -0.532 57.498 58.000 0.050 0.000 1.323 71 F CB -0.359 38.657 39.000 0.027 0.000 0.989 71 F HN -0.088 nan 8.300 nan 0.000 0.509 72 T N -1.808 112.884 114.554 0.230 0.000 3.018 72 T HA 0.011 4.363 4.350 0.003 0.000 0.246 72 T C 2.116 176.898 174.700 0.135 0.000 1.026 72 T CA 0.177 62.361 62.100 0.140 0.000 1.081 72 T CB 0.224 69.137 68.868 0.074 0.000 0.970 72 T HN 0.217 nan 8.240 nan 0.000 0.475 73 R N 0.173 120.786 120.500 0.189 0.000 2.280 73 R HA 0.021 4.363 4.340 0.003 0.000 0.207 73 R C -0.522 175.810 176.300 0.055 0.000 1.043 73 R CA 0.859 57.040 56.100 0.135 0.000 1.006 73 R CB 0.098 30.523 30.300 0.209 0.000 0.885 73 R HN 0.307 nan 8.270 nan 0.000 0.467 74 Y N -0.853 119.485 120.300 0.062 0.000 2.787 74 Y HA 0.229 4.781 4.550 0.003 0.000 0.352 74 Y C 0.235 176.144 175.900 0.016 0.000 1.027 74 Y CA -0.686 57.429 58.100 0.025 0.000 1.219 74 Y CB 1.685 40.149 38.460 0.007 0.000 1.110 74 Y HN -0.135 nan 8.280 nan 0.000 0.614 75 S N 0.753 116.505 115.700 0.086 0.000 2.568 75 S HA 0.110 4.582 4.470 0.003 0.000 0.232 75 S C 1.197 175.817 174.600 0.033 0.000 0.975 75 S CA 0.102 58.340 58.200 0.063 0.000 0.949 75 S CB 0.209 63.434 63.200 0.042 0.000 0.829 75 S HN 0.642 nan 8.310 nan 0.000 0.479 76 Q N 0.326 120.143 119.800 0.028 0.000 2.378 76 Q HA 0.294 4.636 4.340 0.003 0.000 0.229 76 Q C 0.127 176.137 176.000 0.016 0.000 0.882 76 Q CA 0.011 55.820 55.803 0.011 0.000 0.936 76 Q CB 0.254 28.983 28.738 -0.014 0.000 1.092 76 Q HN 0.494 nan 8.270 nan 0.000 0.535 77 L N 1.310 122.551 121.223 0.030 0.000 2.640 77 L HA -0.095 4.247 4.340 0.003 0.000 0.280 77 L C 1.253 178.112 176.870 -0.018 0.000 1.229 77 L CA -0.001 54.840 54.840 0.003 0.000 0.919 77 L CB 0.216 42.252 42.059 -0.037 0.000 1.168 77 L HN 0.106 nan 8.230 nan 0.000 0.496 78 A N 6.038 128.848 122.820 -0.016 0.000 1.997 78 A HA 0.291 4.613 4.320 0.003 0.000 0.212 78 A C 0.706 178.274 177.584 -0.028 0.000 1.178 78 A CA 0.609 52.636 52.037 -0.016 0.000 0.698 78 A CB 0.141 19.135 19.000 -0.010 0.000 0.842 78 A HN 0.739 nan 8.150 nan 0.000 0.458 79 I N -3.081 117.466 120.570 -0.038 0.000 3.006 79 I HA 0.672 4.844 4.170 0.003 0.000 0.306 79 I C -1.378 174.699 176.117 -0.067 0.000 1.250 79 I CA -1.394 59.877 61.300 -0.047 0.000 0.996 79 I CB 2.293 40.270 38.000 -0.039 0.000 1.261 79 I HN 0.125 nan 8.210 nan 0.000 0.442 80 L N 0.544 121.723 121.223 -0.073 0.000 2.476 80 L HA 0.625 4.967 4.340 0.003 0.000 0.269 80 L C -1.407 175.419 176.870 -0.072 0.000 0.965 80 L CA -0.458 54.327 54.840 -0.091 0.000 0.845 80 L CB 2.001 43.977 42.059 -0.138 0.000 1.259 80 L HN 0.526 nan 8.230 nan 0.000 0.403 81 D N 4.062 124.415 120.400 -0.078 0.000 2.470 81 D HA 0.405 5.046 4.640 0.003 0.000 0.226 81 D C -0.009 176.243 176.300 -0.081 0.000 1.196 81 D CA 0.363 54.311 54.000 -0.087 0.000 0.979 81 D CB 1.361 42.097 40.800 -0.107 0.000 1.059 81 D HN 0.754 nan 8.370 nan 0.000 0.515 82 A N 2.648 125.440 122.820 -0.047 0.000 3.064 82 A HA 0.628 4.950 4.320 0.003 0.000 0.339 82 A C 0.432 178.028 177.584 0.021 0.000 1.078 82 A CA -0.493 51.536 52.037 -0.013 0.000 0.869 82 A CB 0.687 19.694 19.000 0.012 0.000 1.067 82 A HN 0.398 nan 8.150 nan 0.000 0.480 83 G N -1.556 107.258 108.800 0.023 0.000 2.733 83 G HA2 0.569 4.531 3.960 0.003 0.000 0.288 83 G HA3 0.569 4.531 3.960 0.003 0.000 0.288 83 G C -0.122 174.916 174.900 0.230 0.000 1.373 83 G CA -0.831 44.340 45.100 0.119 0.000 0.895 83 G HN 0.680 nan 8.290 nan 0.000 0.479 84 F N -0.874 119.054 119.950 -0.037 0.000 3.074 84 F HA -0.200 4.328 4.527 0.002 0.000 0.289 84 F C 0.400 176.208 175.800 0.014 0.000 0.863 84 F CA 0.566 58.571 58.000 0.009 0.000 1.121 84 F CB -1.063 37.870 39.000 -0.113 0.000 1.169 84 F HN 0.347 nan 8.300 nan 0.000 0.570 85 N N -0.537 118.230 118.700 0.113 0.000 2.262 85 N HA 0.369 5.110 4.740 0.003 0.000 0.295 85 N C -0.511 175.023 175.510 0.040 0.000 1.161 85 N CA -0.685 52.411 53.050 0.076 0.000 0.767 85 N CB 1.900 40.426 38.487 0.064 0.000 1.499 85 N HN -0.156 nan 8.380 nan 0.000 0.476 86 S N 1.257 116.975 115.700 0.029 0.000 3.530 86 S HA 0.296 4.767 4.470 0.003 0.000 0.279 86 S C 0.229 174.839 174.600 0.016 0.000 1.280 86 S CA -0.458 57.750 58.200 0.013 0.000 0.946 86 S CB -0.606 62.598 63.200 0.007 0.000 1.501 86 S HN 0.292 nan 8.310 nan 0.000 0.498 87 I N 3.419 124.002 120.570 0.022 0.000 2.328 87 I HA 0.163 4.335 4.170 0.003 0.000 0.287 87 I C 1.664 177.793 176.117 0.020 0.000 1.012 87 I CA -0.289 61.026 61.300 0.026 0.000 1.195 87 I CB 0.656 38.681 38.000 0.043 0.000 1.350 87 I HN 0.516 nan 8.210 nan 0.000 0.464 88 S N 6.680 122.388 115.700 0.013 0.000 2.354 88 S HA -0.085 4.386 4.470 0.003 0.000 0.219 88 S C 0.833 175.438 174.600 0.008 0.000 1.035 88 S CA 0.931 59.136 58.200 0.008 0.000 1.037 88 S CB 0.053 63.255 63.200 0.002 0.000 0.956 88 S HN 0.732 nan 8.310 nan 0.000 0.428 89 K N -0.073 120.330 120.400 0.005 0.000 2.499 89 K HA 0.696 5.018 4.320 0.003 0.000 0.277 89 K C -1.940 174.659 176.600 -0.002 0.000 1.025 89 K CA -1.062 55.223 56.287 -0.003 0.000 0.900 89 K CB 1.204 33.696 32.500 -0.014 0.000 1.494 89 K HN 0.337 nan 8.250 nan 0.000 0.442 90 L N 0.875 122.088 121.223 -0.018 0.000 2.436 90 L HA 0.436 4.778 4.340 0.003 0.000 0.268 90 L C -1.251 175.595 176.870 -0.040 0.000 0.974 90 L CA -0.138 54.695 54.840 -0.012 0.000 0.826 90 L CB 2.084 44.148 42.059 0.009 0.000 1.291 90 L HN 0.741 nan 8.230 nan 0.000 0.406 91 E N 4.939 125.127 120.200 -0.021 0.000 2.277 91 E HA 0.388 4.739 4.350 0.003 0.000 0.274 91 E C -1.934 174.671 176.600 0.009 0.000 1.022 91 E CA -1.544 54.844 56.400 -0.020 0.000 0.853 91 E CB 0.975 30.661 29.700 -0.023 0.000 1.086 91 E HN 0.387 nan 8.360 nan 0.000 0.397 92 P HA -0.173 nan 4.420 nan 0.000 0.226 92 P C 0.385 177.766 177.300 0.134 0.000 1.146 92 P CA 0.931 64.134 63.100 0.171 0.000 0.773 92 P CB 0.299 32.175 31.700 0.294 0.000 0.772 93 E N -0.244 119.950 120.200 -0.010 0.000 2.051 93 E HA -0.150 4.202 4.350 0.003 0.000 0.192 93 E C 1.834 178.410 176.600 -0.041 0.000 0.991 93 E CA 1.154 57.482 56.400 -0.120 0.000 0.799 93 E CB -0.953 28.692 29.700 -0.092 0.000 0.748 93 E HN 0.303 nan 8.360 nan 0.000 0.449 94 L N 0.452 121.720 121.223 0.074 0.000 2.261 94 L HA -0.180 4.162 4.340 0.003 0.000 0.216 94 L C 2.481 179.467 176.870 0.193 0.000 1.114 94 L CA 1.084 56.047 54.840 0.205 0.000 0.777 94 L CB -0.663 41.567 42.059 0.286 0.000 0.910 94 L HN 0.150 nan 8.230 nan 0.000 0.440 95 c N -0.655 118.052 118.600 0.179 0.000 2.485 95 c HA -0.062 4.510 4.570 0.003 0.000 0.278 95 c C 2.743 176.937 174.090 0.174 0.000 1.356 95 c CA 0.575 57.038 56.329 0.223 0.000 1.747 95 c CB -0.657 42.067 42.510 0.358 0.000 2.001 95 c HN 0.697 nan 8.230 nan 0.000 0.501 96 Q N 0.237 120.047 119.800 0.018 0.000 2.398 96 Q HA 0.049 4.390 4.340 0.003 0.000 0.204 96 Q C 1.624 177.604 176.000 -0.035 0.000 0.932 96 Q CA 1.036 56.794 55.803 -0.075 0.000 0.916 96 Q CB -0.138 28.263 28.738 -0.562 0.000 1.024 96 Q HN 0.424 nan 8.270 nan 0.000 0.504 97 I N 0.767 121.339 120.570 0.002 0.000 2.617 97 I HA -0.011 4.161 4.170 0.003 0.000 0.256 97 I C 0.604 176.771 176.117 0.084 0.000 1.167 97 I CA 0.613 61.946 61.300 0.055 0.000 1.469 97 I CB -0.258 37.819 38.000 0.130 0.000 1.098 97 I HN 0.256 nan 8.210 nan 0.000 0.436 98 L N 1.715 122.988 121.223 0.084 0.000 2.556 98 L HA 0.324 4.666 4.340 0.003 0.000 0.243 98 L C -1.666 175.241 176.870 0.061 0.000 1.331 98 L CA -1.250 53.625 54.840 0.059 0.000 0.927 98 L CB 0.299 42.370 42.059 0.019 0.000 1.219 98 L HN -0.102 nan 8.230 nan 0.000 0.490 99 P HA -0.127 nan 4.420 nan 0.000 0.217 99 P C 0.621 177.954 177.300 0.054 0.000 1.148 99 P CA 0.994 64.138 63.100 0.072 0.000 0.828 99 P CB 0.287 32.027 31.700 0.065 0.000 0.783 100 L N -0.027 121.218 121.223 0.037 0.000 2.387 100 L HA 0.243 4.584 4.340 0.003 0.000 0.267 100 L C 0.075 176.955 176.870 0.015 0.000 1.197 100 L CA 0.643 55.497 54.840 0.024 0.000 1.070 100 L CB -0.788 41.282 42.059 0.017 0.000 1.349 100 L HN -0.014 nan 8.230 nan 0.000 0.422 101 L N 2.391 123.625 121.223 0.019 0.000 2.528 101 L HA 0.365 4.707 4.340 0.003 0.000 0.267 101 L C 0.467 177.338 176.870 0.003 0.000 0.961 101 L CA -0.182 54.663 54.840 0.007 0.000 0.866 101 L CB 1.752 43.822 42.059 0.020 0.000 1.248 101 L HN 0.472 nan 8.230 nan 0.000 0.404 102 K N 2.622 123.015 120.400 -0.011 0.000 2.306 102 K HA 0.277 4.598 4.320 0.003 0.000 0.200 102 K C -0.298 176.283 176.600 -0.033 0.000 1.083 102 K CA 0.328 56.604 56.287 -0.019 0.000 0.959 102 K CB 0.982 33.471 32.500 -0.019 0.000 0.994 102 K HN 0.318 nan 8.250 nan 0.000 0.492 103 V N 2.910 122.803 119.914 -0.034 0.000 2.384 103 V HA 0.265 4.387 4.120 0.003 0.000 0.287 103 V C -1.154 174.917 176.094 -0.037 0.000 1.020 103 V CA -0.806 61.469 62.300 -0.041 0.000 0.850 103 V CB 1.520 33.318 31.823 -0.040 0.000 0.987 103 V HN 0.096 nan 8.190 nan 0.000 0.436 104 L N 5.320 126.521 121.223 -0.036 0.000 2.318 104 L HA 0.582 4.924 4.340 0.003 0.000 0.277 104 L C -0.317 176.548 176.870 -0.008 0.000 1.008 104 L CA -0.143 54.690 54.840 -0.012 0.000 0.846 104 L CB 1.206 43.273 42.059 0.012 0.000 1.220 104 L HN 0.678 nan 8.230 nan 0.000 0.423 105 N N 4.739 123.434 118.700 -0.008 0.000 2.439 105 N HA 0.431 5.173 4.740 0.003 0.000 0.249 105 N C -0.956 174.570 175.510 0.028 0.000 1.003 105 N CA -0.188 52.860 53.050 -0.003 0.000 0.942 105 N CB 0.730 39.201 38.487 -0.026 0.000 1.115 105 N HN 0.547 nan 8.380 nan 0.000 0.505 106 L N 3.113 124.366 121.223 0.050 0.000 3.059 106 L HA 0.240 4.582 4.340 0.003 0.000 0.298 106 L C -0.099 176.815 176.870 0.073 0.000 1.304 106 L CA -0.311 54.574 54.840 0.075 0.000 0.855 106 L CB 0.217 42.342 42.059 0.111 0.000 1.266 106 L HN 0.658 nan 8.230 nan 0.000 0.572 107 Q N -1.318 118.520 119.800 0.062 0.000 2.227 107 Q HA 0.414 4.756 4.340 0.003 0.000 0.245 107 Q C -0.341 175.708 176.000 0.080 0.000 0.926 107 Q CA -0.460 55.377 55.803 0.057 0.000 0.895 107 Q CB 0.589 29.326 28.738 -0.002 0.000 1.230 107 Q HN 0.364 nan 8.270 nan 0.000 0.450 108 H N 0.252 119.232 119.070 -0.151 0.000 2.826 108 H HA -0.152 4.406 4.556 0.003 0.000 0.306 108 H C -1.035 174.168 175.328 -0.208 0.000 1.235 108 H CA 0.306 56.164 56.048 -0.318 0.000 1.150 108 H CB -1.282 28.007 29.762 -0.789 0.000 1.409 108 H HN 0.738 nan 8.280 nan 0.000 0.420 109 N N -0.351 118.346 118.700 -0.005 0.000 2.701 109 N HA 0.145 4.887 4.740 0.003 0.000 0.290 109 N C 0.772 176.275 175.510 -0.013 0.000 1.338 109 N CA -0.735 52.314 53.050 -0.001 0.000 0.799 109 N CB 1.006 39.515 38.487 0.037 0.000 1.491 109 N HN 0.075 nan 8.380 nan 0.000 0.540 110 E N 0.557 120.757 120.200 -0.001 0.000 2.004 110 E HA 0.062 4.414 4.350 0.003 0.000 0.193 110 E C 0.126 176.737 176.600 0.018 0.000 0.985 110 E CA 0.573 56.975 56.400 0.002 0.000 0.832 110 E CB -0.550 29.154 29.700 0.006 0.000 0.787 110 E HN 0.466 nan 8.360 nan 0.000 0.466 111 L N 2.441 123.679 121.223 0.025 0.000 4.046 111 L HA -0.230 4.111 4.340 0.003 0.000 0.501 111 L C 1.096 177.989 176.870 0.038 0.000 1.119 111 L CA -0.213 54.646 54.840 0.032 0.000 0.674 111 L CB -1.650 40.438 42.059 0.049 0.000 1.299 111 L HN 0.008 nan 8.230 nan 0.000 0.764 112 S N -0.296 115.429 115.700 0.041 0.000 2.370 112 S HA -0.142 4.329 4.470 0.003 0.000 0.226 112 S C 0.860 175.502 174.600 0.071 0.000 1.033 112 S CA 1.977 60.221 58.200 0.072 0.000 1.011 112 S CB -0.052 63.189 63.200 0.070 0.000 0.852 112 S HN 0.833 nan 8.310 nan 0.000 0.457 113 Q N -0.846 118.975 119.800 0.035 0.000 2.456 113 Q HA 0.801 5.143 4.340 0.003 0.000 0.283 113 Q C -1.379 174.612 176.000 -0.016 0.000 1.084 113 Q CA -0.902 54.911 55.803 0.016 0.000 0.801 113 Q CB 1.947 30.689 28.738 0.007 0.000 1.434 113 Q HN 0.197 nan 8.270 nan 0.000 0.419 114 I N 0.533 121.079 120.570 -0.039 0.000 2.842 114 I HA 0.459 4.631 4.170 0.003 0.000 0.296 114 I C -1.709 174.334 176.117 -0.124 0.000 1.538 114 I CA 0.101 61.345 61.300 -0.093 0.000 0.994 114 I CB 2.507 40.442 38.000 -0.107 0.000 1.372 114 I HN 1.006 nan 8.210 nan 0.000 0.478 115 S N 2.403 118.003 115.700 -0.166 0.000 2.740 115 S HA 0.519 4.991 4.470 0.003 0.000 0.300 115 S C 0.384 174.846 174.600 -0.230 0.000 1.147 115 S CA 0.076 58.172 58.200 -0.174 0.000 0.871 115 S CB 1.316 64.442 63.200 -0.123 0.000 1.173 115 S HN 0.741 nan 8.310 nan 0.000 0.510 116 D N 0.656 120.933 120.400 -0.206 0.000 2.220 116 D HA -0.249 4.393 4.640 0.003 0.000 0.198 116 D C 1.627 177.830 176.300 -0.162 0.000 1.001 116 D CA 1.489 55.374 54.000 -0.191 0.000 0.875 116 D CB -0.339 40.375 40.800 -0.143 0.000 0.921 116 D HN 0.388 nan 8.370 nan 0.000 0.454 117 Q N -0.121 119.593 119.800 -0.144 0.000 2.077 117 Q HA -0.214 4.128 4.340 0.003 0.000 0.206 117 Q C 2.386 178.322 176.000 -0.108 0.000 0.989 117 Q CA 1.889 57.631 55.803 -0.101 0.000 0.853 117 Q CB -1.218 27.484 28.738 -0.061 0.000 0.907 117 Q HN 0.532 nan 8.270 nan 0.000 0.418 118 T N -0.318 114.086 114.554 -0.250 0.000 2.721 118 T HA -0.180 4.171 4.350 0.003 0.000 0.268 118 T C 0.772 175.261 174.700 -0.351 0.000 1.038 118 T CA 1.377 63.230 62.100 -0.410 0.000 1.145 118 T CB -0.102 68.297 68.868 -0.780 0.000 0.858 118 T HN 0.203 nan 8.240 nan 0.000 0.459 119 F N -0.281 119.705 119.950 0.060 0.000 2.688 119 F HA 0.428 4.957 4.527 0.003 0.000 0.310 119 F C 1.696 177.516 175.800 0.033 0.000 1.098 119 F CA -0.840 57.216 58.000 0.094 0.000 1.228 119 F CB -0.175 38.906 39.000 0.135 0.000 1.042 119 F HN -0.053 nan 8.300 nan 0.000 0.557 120 V N -0.192 119.746 119.914 0.039 0.000 2.546 120 V HA -0.304 3.818 4.120 0.003 0.000 0.254 120 V C 1.684 177.555 176.094 -0.370 0.000 1.076 120 V CA 2.008 64.162 62.300 -0.243 0.000 1.087 120 V CB -0.816 30.696 31.823 -0.518 0.000 0.674 120 V HN 0.281 nan 8.190 nan 0.000 0.470 121 F N -1.988 118.025 119.950 0.105 0.000 2.727 121 F HA 0.239 4.768 4.527 0.003 0.000 0.302 121 F C 1.159 177.020 175.800 0.102 0.000 1.097 121 F CA -0.165 57.888 58.000 0.089 0.000 1.330 121 F CB -0.203 38.843 39.000 0.076 0.000 1.084 121 F HN 0.019 nan 8.300 nan 0.000 0.578 122 c N 1.811 120.559 118.600 0.247 0.000 2.136 122 c HA 0.253 4.825 4.570 0.003 0.000 0.381 122 c C 1.737 175.895 174.090 0.114 0.000 1.039 122 c CA -0.131 56.310 56.329 0.188 0.000 1.491 122 c CB -1.592 41.050 42.510 0.220 0.000 1.663 122 c HN 0.574 nan 8.230 nan 0.000 0.470 123 T N -2.192 112.414 114.554 0.087 0.000 3.022 123 T HA 0.046 4.398 4.350 0.003 0.000 0.250 123 T C 1.163 175.886 174.700 0.037 0.000 1.060 123 T CA 0.567 62.699 62.100 0.054 0.000 1.013 123 T CB -0.114 68.781 68.868 0.044 0.000 0.982 123 T HN 0.488 nan 8.240 nan 0.000 0.508 124 N N 0.684 119.409 118.700 0.040 0.000 2.325 124 N HA 0.205 4.947 4.740 0.003 0.000 0.182 124 N C 0.211 175.725 175.510 0.007 0.000 1.088 124 N CA -0.125 52.939 53.050 0.024 0.000 0.879 124 N CB 0.130 38.634 38.487 0.029 0.000 0.983 124 N HN 0.327 nan 8.380 nan 0.000 0.471 125 L N 2.110 123.336 121.223 0.005 0.000 2.578 125 L HA -0.039 4.302 4.340 0.003 0.000 0.279 125 L C 1.481 178.322 176.870 -0.048 0.000 1.227 125 L CA 0.930 55.754 54.840 -0.026 0.000 0.900 125 L CB 0.611 42.642 42.059 -0.046 0.000 1.144 125 L HN 0.137 nan 8.230 nan 0.000 0.496 126 T N 0.153 114.676 114.554 -0.052 0.000 2.955 126 T HA 0.228 4.579 4.350 0.003 0.000 0.251 126 T C 0.453 175.108 174.700 -0.074 0.000 1.002 126 T CA -0.059 62.007 62.100 -0.057 0.000 0.970 126 T CB -0.017 68.828 68.868 -0.038 0.000 1.091 126 T HN 0.573 nan 8.240 nan 0.000 0.495 127 E N 0.540 120.693 120.200 -0.079 0.000 2.244 127 E HA 0.526 4.877 4.350 0.003 0.000 0.260 127 E C -2.079 174.459 176.600 -0.104 0.000 0.884 127 E CA -0.863 55.486 56.400 -0.084 0.000 0.777 127 E CB 1.571 31.235 29.700 -0.060 0.000 1.197 127 E HN 0.183 nan 8.360 nan 0.000 0.416 128 L N 4.600 125.741 121.223 -0.137 0.000 2.319 128 L HA 0.466 4.808 4.340 0.003 0.000 0.281 128 L C -1.331 175.480 176.870 -0.098 0.000 1.005 128 L CA -0.396 54.350 54.840 -0.157 0.000 0.828 128 L CB 1.500 43.387 42.059 -0.286 0.000 1.227 128 L HN 0.437 nan 8.230 nan 0.000 0.415 129 D N 5.320 125.690 120.400 -0.049 0.000 2.381 129 D HA 0.505 5.146 4.640 0.003 0.000 0.235 129 D C -1.336 174.979 176.300 0.025 0.000 1.068 129 D CA 0.000 53.991 54.000 -0.015 0.000 0.832 129 D CB 0.858 41.649 40.800 -0.014 0.000 1.101 129 D HN 0.521 nan 8.370 nan 0.000 0.515 130 L N 4.917 126.163 121.223 0.039 0.000 2.529 130 L HA 0.354 4.695 4.340 0.003 0.000 0.260 130 L C 0.740 177.651 176.870 0.070 0.000 0.997 130 L CA -0.301 54.581 54.840 0.070 0.000 0.885 130 L CB 1.705 43.826 42.059 0.103 0.000 1.185 130 L HN 0.378 nan 8.230 nan 0.000 0.442 131 M N 0.426 120.074 119.600 0.080 0.000 2.657 131 M HA 0.241 4.723 4.480 0.003 0.000 0.262 131 M C 0.181 176.541 176.300 0.100 0.000 1.213 131 M CA 1.119 56.486 55.300 0.111 0.000 1.182 131 M CB 0.911 33.587 32.600 0.127 0.000 1.303 131 M HN 0.437 nan 8.290 nan 0.000 0.501 132 S N 1.450 117.192 115.700 0.071 0.000 2.130 132 S HA 0.337 4.809 4.470 0.003 0.000 0.165 132 S C -0.734 173.814 174.600 -0.088 0.000 1.677 132 S CA -0.619 57.507 58.200 -0.124 0.000 1.227 132 S CB 0.020 62.978 63.200 -0.402 0.000 1.115 132 S HN 0.459 nan 8.310 nan 0.000 0.452 133 N N 0.595 119.274 118.700 -0.036 0.000 2.194 133 N HA 0.041 4.783 4.740 0.003 0.000 0.231 133 N C 0.075 175.567 175.510 -0.029 0.000 1.247 133 N CA -0.133 52.908 53.050 -0.016 0.000 0.884 133 N CB 0.718 39.221 38.487 0.027 0.000 1.146 133 N HN 0.418 nan 8.380 nan 0.000 0.516 134 S N 0.334 115.988 115.700 -0.078 0.000 3.268 134 S HA -0.256 4.216 4.470 0.003 0.000 0.347 134 S C 0.079 174.541 174.600 -0.231 0.000 0.925 134 S CA 0.272 58.339 58.200 -0.222 0.000 1.286 134 S CB -2.266 60.875 63.200 -0.098 0.000 0.890 134 S HN 0.389 nan 8.310 nan 0.000 0.495 135 I N 1.841 122.330 120.570 -0.136 0.000 2.241 135 I HA 0.241 4.413 4.170 0.003 0.000 0.294 135 I C 1.469 177.559 176.117 -0.045 0.000 1.145 135 I CA -0.767 60.527 61.300 -0.010 0.000 1.261 135 I CB 0.060 38.080 38.000 0.033 0.000 1.475 135 I HN 0.350 nan 8.210 nan 0.000 0.533 136 H N 3.633 122.717 119.070 0.025 0.000 2.421 136 H HA 0.016 4.574 4.556 0.003 0.000 0.298 136 H C 0.171 175.507 175.328 0.014 0.000 1.087 136 H CA 1.120 57.180 56.048 0.020 0.000 1.330 136 H CB -0.055 29.714 29.762 0.012 0.000 1.388 136 H HN 0.442 nan 8.280 nan 0.000 0.526 137 K N 0.062 120.538 120.400 0.126 0.000 2.480 137 K HA 0.508 4.830 4.320 0.003 0.000 0.258 137 K C -1.264 175.355 176.600 0.032 0.000 0.990 137 K CA -0.881 55.444 56.287 0.063 0.000 0.857 137 K CB 2.920 35.449 32.500 0.048 0.000 1.384 137 K HN -0.159 nan 8.250 nan 0.000 0.446 138 I N 1.942 122.514 120.570 0.005 0.000 2.548 138 I HA 0.275 4.447 4.170 0.003 0.000 0.287 138 I C -0.750 175.336 176.117 -0.050 0.000 1.103 138 I CA -0.523 60.762 61.300 -0.025 0.000 1.049 138 I CB 1.785 39.773 38.000 -0.020 0.000 1.232 138 I HN 0.613 nan 8.210 nan 0.000 0.429 139 K N 3.679 124.040 120.400 -0.065 0.000 2.221 139 K HA 0.663 4.984 4.320 0.003 0.000 0.243 139 K C 0.332 176.875 176.600 -0.096 0.000 0.968 139 K CA 0.043 56.289 56.287 -0.068 0.000 0.846 139 K CB 1.766 34.234 32.500 -0.053 0.000 1.141 139 K HN 0.706 nan 8.250 nan 0.000 0.434 140 S N 1.030 116.679 115.700 -0.084 0.000 3.443 140 S HA -0.204 4.267 4.470 0.003 0.000 0.635 140 S C -0.969 173.560 174.600 -0.119 0.000 2.555 140 S CA 0.396 58.541 58.200 -0.092 0.000 2.778 140 S CB -0.840 62.301 63.200 -0.098 0.000 0.331 140 S HN 0.901 nan 8.310 nan 0.000 1.765 141 N N 2.192 120.821 118.700 -0.118 0.000 3.012 141 N HA 0.319 5.061 4.740 0.003 0.000 0.270 141 N C -2.344 173.051 175.510 -0.191 0.000 1.469 141 N CA -1.040 51.938 53.050 -0.120 0.000 0.928 141 N CB 1.299 39.757 38.487 -0.049 0.000 1.219 141 N HN 0.277 nan 8.380 nan 0.000 0.492 142 P HA -0.114 nan 4.420 nan 0.000 0.218 142 P C 0.005 176.940 177.300 -0.608 0.000 1.146 142 P CA 1.368 64.093 63.100 -0.626 0.000 0.820 142 P CB 0.035 31.132 31.700 -1.005 0.000 0.778 143 F N -2.401 117.601 119.950 0.086 0.000 2.908 143 F HA 0.354 4.882 4.527 0.003 0.000 0.328 143 F C 1.431 177.254 175.800 0.038 0.000 1.211 143 F CA -0.632 57.416 58.000 0.079 0.000 1.291 143 F CB -0.036 38.983 39.000 0.031 0.000 0.962 143 F HN -0.347 nan 8.300 nan 0.000 0.505 144 K N 0.739 121.199 120.400 0.100 0.000 2.633 144 K HA -0.016 4.305 4.320 0.003 0.000 0.193 144 K C 0.921 177.557 176.600 0.060 0.000 1.033 144 K CA 0.926 57.251 56.287 0.063 0.000 0.980 144 K CB -0.343 32.161 32.500 0.007 0.000 0.800 144 K HN 0.272 nan 8.250 nan 0.000 0.493 145 N N -0.620 118.138 118.700 0.097 0.000 2.672 145 N HA -0.008 4.734 4.740 0.003 0.000 0.229 145 N C -0.446 175.110 175.510 0.076 0.000 1.043 145 N CA 0.037 53.129 53.050 0.069 0.000 0.932 145 N CB 0.132 38.657 38.487 0.063 0.000 1.500 145 N HN 0.124 nan 8.380 nan 0.000 0.445 146 Q N 1.719 121.582 119.800 0.106 0.000 2.242 146 Q HA 0.021 4.362 4.340 0.003 0.000 0.284 146 Q C 0.608 176.626 176.000 0.030 0.000 1.130 146 Q CA 0.660 56.491 55.803 0.047 0.000 0.940 146 Q CB 0.631 29.369 28.738 0.001 0.000 1.146 146 Q HN 0.043 nan 8.270 nan 0.000 0.388 147 K N 1.845 122.255 120.400 0.016 0.000 2.391 147 K HA 0.105 4.426 4.320 0.003 0.000 0.197 147 K C 0.031 176.629 176.600 -0.004 0.000 1.087 147 K CA 0.240 56.534 56.287 0.011 0.000 1.012 147 K CB 0.679 33.189 32.500 0.016 0.000 0.925 147 K HN 0.369 nan 8.250 nan 0.000 0.547 148 N N 0.724 119.418 118.700 -0.011 0.000 2.204 148 N HA 0.051 4.793 4.740 0.003 0.000 0.219 148 N C -0.638 174.849 175.510 -0.039 0.000 1.151 148 N CA -0.114 52.925 53.050 -0.019 0.000 0.867 148 N CB 0.465 38.946 38.487 -0.011 0.000 1.043 148 N HN -0.047 nan 8.380 nan 0.000 0.516 149 L N 1.504 122.692 121.223 -0.057 0.000 2.295 149 L HA 0.295 4.636 4.340 0.003 0.000 0.288 149 L C 0.507 177.322 176.870 -0.092 0.000 1.079 149 L CA 0.180 54.963 54.840 -0.094 0.000 0.830 149 L CB 0.047 42.014 42.059 -0.153 0.000 1.200 149 L HN 0.019 nan 8.230 nan 0.000 0.438 150 I N 2.540 123.063 120.570 -0.077 0.000 2.522 150 I HA 0.079 4.251 4.170 0.003 0.000 0.240 150 I C 0.956 177.029 176.117 -0.072 0.000 1.078 150 I CA 0.510 61.772 61.300 -0.064 0.000 1.422 150 I CB -0.585 37.389 38.000 -0.043 0.000 1.188 150 I HN 0.532 nan 8.210 nan 0.000 0.442 151 K N 2.572 122.930 120.400 -0.071 0.000 2.322 151 K HA 0.260 4.581 4.320 0.003 0.000 0.283 151 K C -0.385 176.154 176.600 -0.102 0.000 1.042 151 K CA 0.006 56.252 56.287 -0.069 0.000 0.958 151 K CB 1.385 33.852 32.500 -0.055 0.000 0.984 151 K HN 0.053 nan 8.250 nan 0.000 0.473 152 L N 4.300 125.465 121.223 -0.096 0.000 2.492 152 L HA 0.175 4.517 4.340 0.003 0.000 0.259 152 L C -1.264 175.560 176.870 -0.076 0.000 1.229 152 L CA -0.253 54.506 54.840 -0.135 0.000 0.903 152 L CB 1.081 43.020 42.059 -0.199 0.000 1.114 152 L HN 0.711 nan 8.230 nan 0.000 0.494 153 D N 4.654 125.025 120.400 -0.049 0.000 2.339 153 D HA 0.200 4.842 4.640 0.003 0.000 0.241 153 D C -0.886 175.422 176.300 0.014 0.000 1.183 153 D CA -0.109 53.887 54.000 -0.008 0.000 0.859 153 D CB 1.266 42.068 40.800 0.004 0.000 1.067 153 D HN 0.531 nan 8.370 nan 0.000 0.484 154 L N 3.404 124.645 121.223 0.030 0.000 2.470 154 L HA 0.264 4.606 4.340 0.003 0.000 0.253 154 L C -1.006 175.901 176.870 0.062 0.000 1.163 154 L CA -0.195 54.678 54.840 0.055 0.000 0.932 154 L CB 0.807 42.904 42.059 0.064 0.000 1.213 154 L HN 0.214 nan 8.230 nan 0.000 0.485 155 S N 0.295 116.040 115.700 0.076 0.000 2.599 155 S HA 0.452 4.924 4.470 0.003 0.000 0.287 155 S C 0.071 174.763 174.600 0.154 0.000 1.105 155 S CA -0.400 57.854 58.200 0.091 0.000 0.899 155 S CB 1.661 64.915 63.200 0.090 0.000 1.100 155 S HN 0.675 nan 8.310 nan 0.000 0.482 156 H N 0.948 120.018 119.070 0.000 0.000 3.047 156 H HA -0.150 4.408 4.556 0.003 0.000 0.263 156 H C 0.133 175.426 175.328 -0.058 0.000 1.168 156 H CA 1.195 57.230 56.048 -0.022 0.000 1.152 156 H CB -1.566 28.191 29.762 -0.008 0.000 1.278 156 H HN 0.725 nan 8.280 nan 0.000 0.339 157 N N -0.185 118.559 118.700 0.073 0.000 2.251 157 N HA 0.239 4.980 4.740 0.003 0.000 0.217 157 N C 1.381 176.779 175.510 -0.186 0.000 1.124 157 N CA 0.383 53.415 53.050 -0.032 0.000 0.843 157 N CB 0.608 39.092 38.487 -0.005 0.000 1.024 157 N HN 0.519 nan 8.380 nan 0.000 0.501 158 G N 0.800 109.499 108.800 -0.168 0.000 2.162 158 G HA2 -0.242 3.720 3.960 0.003 0.000 0.260 158 G HA3 -0.242 3.720 3.960 0.003 0.000 0.260 158 G C 0.079 174.924 174.900 -0.091 0.000 0.976 158 G CA -0.284 44.669 45.100 -0.245 0.000 0.655 158 G HN 0.168 nan 8.290 nan 0.000 0.533 159 L N 0.933 122.130 121.223 -0.044 0.000 2.490 159 L HA 0.310 4.652 4.340 0.003 0.000 0.274 159 L C 1.556 178.439 176.870 0.023 0.000 1.201 159 L CA 1.537 56.383 54.840 0.010 0.000 0.869 159 L CB 1.236 43.309 42.059 0.024 0.000 1.123 159 L HN 0.247 nan 8.230 nan 0.000 0.484 160 S N 1.078 116.800 115.700 0.036 0.000 2.512 160 S HA 0.089 4.561 4.470 0.003 0.000 0.216 160 S C 0.634 175.249 174.600 0.024 0.000 1.006 160 S CA 0.033 58.251 58.200 0.030 0.000 0.915 160 S CB 0.321 63.543 63.200 0.037 0.000 0.824 160 S HN 0.727 nan 8.310 nan 0.000 0.497 161 S N -0.553 115.165 115.700 0.031 0.000 2.627 161 S HA 0.497 4.969 4.470 0.003 0.000 0.283 161 S C 0.887 175.520 174.600 0.056 0.000 1.127 161 S CA 0.157 58.379 58.200 0.036 0.000 0.863 161 S CB 1.537 64.755 63.200 0.029 0.000 1.121 161 S HN 0.335 nan 8.310 nan 0.000 0.479 162 T N 0.182 114.787 114.554 0.086 0.000 3.044 162 T HA 0.249 4.600 4.350 0.003 0.000 0.255 162 T C 0.718 175.526 174.700 0.180 0.000 1.073 162 T CA 0.296 62.485 62.100 0.149 0.000 1.125 162 T CB -0.372 68.602 68.868 0.178 0.000 0.908 162 T HN 0.564 nan 8.240 nan 0.000 0.480 163 K N 1.207 121.684 120.400 0.130 0.000 2.550 163 K HA 0.062 4.384 4.320 0.003 0.000 0.280 163 K C -0.048 176.380 176.600 -0.287 0.000 0.987 163 K CA 0.370 56.651 56.287 -0.010 0.000 1.048 163 K CB 0.091 32.602 32.500 0.018 0.000 0.879 163 K HN 0.428 nan 8.250 nan 0.000 0.491 164 L N 3.011 123.745 121.223 -0.815 0.000 3.429 164 L HA 0.316 4.658 4.340 0.003 0.000 0.311 164 L C 0.307 176.875 176.870 -0.504 0.000 1.274 164 L CA -0.276 54.216 54.840 -0.580 0.000 1.037 164 L CB 1.061 42.808 42.059 -0.520 0.000 1.433 164 L HN 0.944 nan 8.230 nan 0.000 0.614 165 G N -0.466 108.066 108.800 -0.448 0.000 2.339 165 G HA2 0.169 4.131 3.960 0.003 0.000 0.302 165 G HA3 0.169 4.131 3.960 0.003 0.000 0.302 165 G C 0.067 174.942 174.900 -0.043 0.000 1.425 165 G CA 0.245 45.232 45.100 -0.189 0.000 0.899 165 G HN -0.099 nan 8.290 nan 0.000 0.619 166 T N -2.115 112.450 114.554 0.019 0.000 3.001 166 T HA 0.512 4.863 4.350 0.003 0.000 0.251 166 T C 1.186 175.938 174.700 0.088 0.000 1.040 166 T CA 1.131 63.269 62.100 0.064 0.000 0.985 166 T CB 0.773 69.659 68.868 0.030 0.000 1.011 166 T HN 1.430 nan 8.240 nan 0.000 0.509 167 G N 0.863 109.714 108.800 0.085 0.000 2.462 167 G HA2 0.537 4.499 3.960 0.003 0.000 0.319 167 G HA3 0.537 4.499 3.960 0.003 0.000 0.319 167 G C -0.817 174.162 174.900 0.132 0.000 1.171 167 G CA -0.656 44.495 45.100 0.085 0.000 0.920 167 G HN 0.227 nan 8.290 nan 0.000 0.499 168 V N 2.021 121.995 119.914 0.100 0.000 2.338 168 V HA 0.217 4.338 4.120 0.003 0.000 0.255 168 V C 0.478 176.631 176.094 0.099 0.000 1.082 168 V CA 0.023 62.384 62.300 0.101 0.000 0.951 168 V CB -0.634 31.221 31.823 0.053 0.000 1.102 168 V HN 0.858 nan 8.190 nan 0.000 0.489 169 Q N 4.074 123.963 119.800 0.148 0.000 3.017 169 Q HA 0.698 5.040 4.340 0.003 0.000 0.299 169 Q C -0.686 175.393 176.000 0.131 0.000 1.046 169 Q CA -1.196 54.684 55.803 0.128 0.000 0.821 169 Q CB 1.536 30.358 28.738 0.139 0.000 1.481 169 Q HN 0.138 nan 8.270 nan 0.000 0.494 170 L N 1.267 122.552 121.223 0.102 0.000 3.573 170 L HA -0.189 4.153 4.340 0.003 0.000 0.578 170 L C 0.969 177.856 176.870 0.029 0.000 1.299 170 L CA 0.604 55.481 54.840 0.062 0.000 0.914 170 L CB -1.774 40.333 42.059 0.081 0.000 1.563 170 L HN 0.906 nan 8.230 nan 0.000 0.860 171 E N 0.811 121.024 120.200 0.023 0.000 2.055 171 E HA -0.169 4.183 4.350 0.003 0.000 0.209 171 E C 0.735 177.328 176.600 -0.011 0.000 1.036 171 E CA 1.693 58.097 56.400 0.006 0.000 0.849 171 E CB 0.065 29.770 29.700 0.007 0.000 0.767 171 E HN 0.655 nan 8.360 nan 0.000 0.461 172 N N 0.706 119.397 118.700 -0.015 0.000 2.706 172 N HA 0.259 5.001 4.740 0.003 0.000 0.240 172 N C -0.927 174.562 175.510 -0.034 0.000 1.039 172 N CA -0.233 52.801 53.050 -0.025 0.000 0.888 172 N CB 1.397 39.873 38.487 -0.018 0.000 1.128 172 N HN -0.014 nan 8.380 nan 0.000 0.512 173 L N 1.303 122.500 121.223 -0.043 0.000 2.362 173 L HA 0.362 4.704 4.340 0.003 0.000 0.275 173 L C 0.564 177.403 176.870 -0.052 0.000 0.998 173 L CA -0.064 54.747 54.840 -0.050 0.000 0.820 173 L CB 2.034 44.065 42.059 -0.047 0.000 1.270 173 L HN 0.320 nan 8.230 nan 0.000 0.415 174 Q N 2.678 122.453 119.800 -0.042 0.000 2.189 174 Q HA 0.366 4.708 4.340 0.003 0.000 0.223 174 Q C -0.825 175.163 176.000 -0.020 0.000 0.828 174 Q CA 0.112 55.897 55.803 -0.029 0.000 0.967 174 Q CB 1.110 29.843 28.738 -0.008 0.000 1.139 174 Q HN 0.622 nan 8.270 nan 0.000 0.497 175 E N 1.149 121.332 120.200 -0.028 0.000 2.313 175 E HA 0.241 4.593 4.350 0.003 0.000 0.280 175 E C -1.936 174.651 176.600 -0.023 0.000 0.898 175 E CA -0.452 55.937 56.400 -0.019 0.000 0.803 175 E CB 2.003 31.692 29.700 -0.018 0.000 1.286 175 E HN -0.093 nan 8.360 nan 0.000 0.401 176 L N 4.675 125.896 121.223 -0.004 0.000 2.337 176 L HA 0.393 4.734 4.340 0.003 0.000 0.269 176 L C -1.869 175.017 176.870 0.027 0.000 1.018 176 L CA -0.662 54.184 54.840 0.010 0.000 0.876 176 L CB 0.599 42.680 42.059 0.037 0.000 1.236 176 L HN 0.394 nan 8.230 nan 0.000 0.436 177 L N 6.374 127.608 121.223 0.018 0.000 2.261 177 L HA 0.459 4.800 4.340 0.003 0.000 0.289 177 L C -0.485 176.412 176.870 0.045 0.000 1.059 177 L CA 0.338 55.197 54.840 0.031 0.000 0.816 177 L CB 0.977 43.050 42.059 0.023 0.000 1.191 177 L HN 0.512 nan 8.230 nan 0.000 0.431 178 L N 4.245 125.502 121.223 0.056 0.000 2.490 178 L HA 0.781 5.122 4.340 0.003 0.000 0.256 178 L C -0.294 176.609 176.870 0.055 0.000 1.089 178 L CA -0.195 54.682 54.840 0.061 0.000 0.916 178 L CB 1.124 43.229 42.059 0.077 0.000 1.188 178 L HN 0.709 nan 8.230 nan 0.000 0.476 179 A N 1.548 124.395 122.820 0.045 0.000 2.532 179 A HA 0.747 5.069 4.320 0.003 0.000 0.290 179 A C 0.247 177.836 177.584 0.009 0.000 1.143 179 A CA -0.550 51.506 52.037 0.033 0.000 0.728 179 A CB 1.445 20.467 19.000 0.036 0.000 1.317 179 A HN 0.601 nan 8.150 nan 0.000 0.414 180 K N -0.624 119.761 120.400 -0.024 0.000 3.193 180 K HA -0.178 4.144 4.320 0.003 0.000 0.294 180 K C 0.126 176.646 176.600 -0.134 0.000 1.185 180 K CA 1.302 57.525 56.287 -0.106 0.000 0.866 180 K CB -1.329 31.093 32.500 -0.130 0.000 1.227 180 K HN 0.686 nan 8.250 nan 0.000 0.467 181 N N 0.597 119.264 118.700 -0.056 0.000 2.604 181 N HA 0.240 4.982 4.740 0.003 0.000 0.297 181 N C 0.021 175.510 175.510 -0.034 0.000 1.266 181 N CA -0.438 52.588 53.050 -0.041 0.000 0.961 181 N CB 0.715 39.202 38.487 -0.001 0.000 1.166 181 N HN 0.012 nan 8.380 nan 0.000 0.601 182 K N 0.798 121.187 120.400 -0.018 0.000 3.109 182 K HA 0.359 4.681 4.320 0.003 0.000 0.214 182 K C -0.618 175.981 176.600 -0.001 0.000 1.196 182 K CA -0.334 55.947 56.287 -0.010 0.000 1.115 182 K CB -0.003 32.496 32.500 -0.002 0.000 1.103 182 K HN 0.309 nan 8.250 nan 0.000 0.467 183 I N 1.420 121.992 120.570 0.003 0.000 2.496 183 I HA -0.052 4.119 4.170 0.003 0.000 0.285 183 I C 1.057 177.163 176.117 -0.019 0.000 1.080 183 I CA 0.050 61.352 61.300 0.003 0.000 1.404 183 I CB 0.824 38.836 38.000 0.020 0.000 1.403 183 I HN 0.167 nan 8.210 nan 0.000 0.539 184 L N 5.936 127.140 121.223 -0.032 0.000 2.416 184 L HA 0.473 4.815 4.340 0.003 0.000 0.216 184 L C 0.765 177.569 176.870 -0.111 0.000 1.098 184 L CA 0.598 55.402 54.840 -0.060 0.000 0.840 184 L CB -0.610 41.420 42.059 -0.047 0.000 0.981 184 L HN 0.778 nan 8.230 nan 0.000 0.462 185 A N -1.263 121.497 122.820 -0.099 0.000 2.540 185 A HA 0.706 5.027 4.320 0.003 0.000 0.291 185 A C -2.109 175.424 177.584 -0.085 0.000 1.083 185 A CA -0.510 51.436 52.037 -0.151 0.000 0.650 185 A CB 0.743 19.654 19.000 -0.149 0.000 1.292 185 A HN -0.140 nan 8.150 nan 0.000 0.435 186 L N 0.539 121.707 121.223 -0.091 0.000 2.385 186 L HA 0.717 5.059 4.340 0.003 0.000 0.273 186 L C 0.245 177.068 176.870 -0.078 0.000 0.990 186 L CA -0.024 54.776 54.840 -0.067 0.000 0.821 186 L CB 1.826 43.831 42.059 -0.091 0.000 1.279 186 L HN 0.790 nan 8.230 nan 0.000 0.412 187 R N 0.259 120.723 120.500 -0.061 0.000 2.832 187 R HA 0.424 4.766 4.340 0.003 0.000 0.271 187 R C 0.627 176.892 176.300 -0.058 0.000 0.996 187 R CA -0.689 55.382 56.100 -0.049 0.000 0.977 187 R CB 1.924 32.212 30.300 -0.019 0.000 1.168 187 R HN 0.610 nan 8.270 nan 0.000 0.482 188 S N 0.557 116.229 115.700 -0.047 0.000 2.595 188 S HA -0.085 4.386 4.470 0.003 0.000 0.235 188 S C 0.563 175.151 174.600 -0.020 0.000 0.974 188 S CA 1.377 59.551 58.200 -0.043 0.000 0.942 188 S CB 0.110 63.294 63.200 -0.028 0.000 0.766 188 S HN 0.547 nan 8.310 nan 0.000 0.536 189 E N 0.828 121.026 120.200 -0.003 0.000 2.175 189 E HA 0.023 4.374 4.350 0.003 0.000 0.195 189 E C 1.690 178.334 176.600 0.073 0.000 0.934 189 E CA 0.738 57.153 56.400 0.026 0.000 0.870 189 E CB -0.115 29.597 29.700 0.021 0.000 0.838 189 E HN 0.754 nan 8.360 nan 0.000 0.474 190 E N 0.968 121.216 120.200 0.081 0.000 2.494 190 E HA -0.005 4.347 4.350 0.003 0.000 0.193 190 E C 0.996 177.760 176.600 0.274 0.000 1.074 190 E CA 0.301 56.797 56.400 0.160 0.000 0.867 190 E CB 0.271 30.036 29.700 0.107 0.000 0.924 190 E HN 0.116 nan 8.360 nan 0.000 0.502 191 L N 1.080 122.366 121.223 0.105 0.000 2.609 191 L HA 0.054 4.396 4.340 0.003 0.000 0.230 191 L C 2.164 178.869 176.870 -0.275 0.000 1.064 191 L CA 0.969 55.753 54.840 -0.093 0.000 0.873 191 L CB -0.406 41.577 42.059 -0.127 0.000 1.139 191 L HN 0.305 nan 8.230 nan 0.000 0.490 192 E N 0.691 120.844 120.200 -0.079 0.000 2.455 192 E HA -0.243 4.109 4.350 0.003 0.000 0.202 192 E C 1.723 178.291 176.600 -0.052 0.000 1.045 192 E CA 0.911 57.268 56.400 -0.073 0.000 0.872 192 E CB -0.640 29.059 29.700 -0.001 0.000 0.792 192 E HN 0.534 nan 8.360 nan 0.000 0.542 193 F N 0.603 120.562 119.950 0.015 0.000 2.722 193 F HA 0.174 4.703 4.527 0.003 0.000 0.298 193 F C 0.267 176.079 175.800 0.021 0.000 1.175 193 F CA 0.038 58.052 58.000 0.023 0.000 1.462 193 F CB -0.232 38.790 39.000 0.036 0.000 1.111 193 F HN -0.141 nan 8.300 nan 0.000 0.592 194 L N 1.337 122.347 121.223 -0.355 0.000 2.337 194 L HA 0.487 4.829 4.340 0.003 0.000 0.269 194 L C 1.250 178.040 176.870 -0.134 0.000 1.018 194 L CA -0.455 54.236 54.840 -0.248 0.000 0.876 194 L CB 1.156 42.973 42.059 -0.404 0.000 1.236 194 L HN 0.239 nan 8.230 nan 0.000 0.436 195 G N 2.352 111.119 108.800 -0.055 0.000 2.447 195 G HA2 -0.143 3.819 3.960 0.003 0.000 0.211 195 G HA3 -0.143 3.819 3.960 0.003 0.000 0.211 195 G C 0.828 175.704 174.900 -0.040 0.000 1.184 195 G CA 0.473 45.551 45.100 -0.037 0.000 0.813 195 G HN 0.728 nan 8.290 nan 0.000 0.540 196 N N -0.437 118.242 118.700 -0.035 0.000 2.238 196 N HA 0.215 4.956 4.740 0.003 0.000 0.235 196 N C -0.159 175.317 175.510 -0.055 0.000 1.209 196 N CA -0.300 52.727 53.050 -0.038 0.000 0.879 196 N CB 0.672 39.146 38.487 -0.022 0.000 1.136 196 N HN -0.018 nan 8.380 nan 0.000 0.517 197 S N 0.265 115.925 115.700 -0.067 0.000 2.510 197 S HA 0.192 4.664 4.470 0.003 0.000 0.279 197 S C -0.174 174.351 174.600 -0.125 0.000 1.284 197 S CA -0.527 57.624 58.200 -0.082 0.000 1.059 197 S CB 0.774 63.924 63.200 -0.083 0.000 0.901 197 S HN 0.317 nan 8.310 nan 0.000 0.491 198 S N 4.137 119.749 115.700 -0.147 0.000 2.577 198 S HA 0.415 4.887 4.470 0.003 0.000 0.294 198 S C -0.313 174.133 174.600 -0.257 0.000 1.161 198 S CA -0.743 57.306 58.200 -0.251 0.000 1.143 198 S CB -0.261 62.772 63.200 -0.279 0.000 0.991 198 S HN 0.590 nan 8.310 nan 0.000 0.475 199 L N 5.142 126.221 121.223 -0.239 0.000 2.360 199 L HA 0.448 4.790 4.340 0.003 0.000 0.276 199 L C 1.726 178.494 176.870 -0.170 0.000 1.121 199 L CA -0.310 54.436 54.840 -0.157 0.000 0.845 199 L CB 0.645 42.647 42.059 -0.095 0.000 1.143 199 L HN 0.632 nan 8.230 nan 0.000 0.452 200 R N 2.554 123.029 120.500 -0.042 0.000 2.112 200 R HA 0.094 4.435 4.340 0.003 0.000 0.216 200 R C 0.314 176.683 176.300 0.115 0.000 1.080 200 R CA 0.769 56.944 56.100 0.125 0.000 0.996 200 R CB 0.405 30.800 30.300 0.157 0.000 0.902 200 R HN 0.503 nan 8.270 nan 0.000 0.449 201 K N 1.010 121.438 120.400 0.046 0.000 2.640 201 K HA 0.195 4.516 4.320 0.003 0.000 0.245 201 K C -1.970 174.644 176.600 0.024 0.000 0.962 201 K CA -0.583 55.726 56.287 0.036 0.000 0.896 201 K CB 1.453 33.968 32.500 0.024 0.000 1.147 201 K HN -0.014 nan 8.250 nan 0.000 0.445 202 L N 4.357 125.598 121.223 0.030 0.000 2.313 202 L HA 0.385 4.726 4.340 0.003 0.000 0.273 202 L C -0.797 176.107 176.870 0.056 0.000 1.028 202 L CA -0.275 54.590 54.840 0.043 0.000 0.871 202 L CB 0.802 42.895 42.059 0.057 0.000 1.242 202 L HN 0.535 nan 8.230 nan 0.000 0.434 203 D N 4.087 124.517 120.400 0.050 0.000 2.345 203 D HA 0.300 4.942 4.640 0.003 0.000 0.247 203 D C -0.298 176.046 176.300 0.073 0.000 1.108 203 D CA 0.295 54.327 54.000 0.053 0.000 0.894 203 D CB 1.045 41.869 40.800 0.041 0.000 1.203 203 D HN 0.655 nan 8.370 nan 0.000 0.430 204 L N 2.300 123.570 121.223 0.079 0.000 2.806 204 L HA 0.124 4.465 4.340 0.003 0.000 0.319 204 L C -0.374 176.546 176.870 0.083 0.000 1.307 204 L CA -0.218 54.679 54.840 0.095 0.000 0.710 204 L CB 0.534 42.678 42.059 0.142 0.000 1.093 204 L HN 0.185 nan 8.230 nan 0.000 0.546 205 S N -1.009 114.725 115.700 0.057 0.000 2.652 205 S HA 0.394 4.865 4.470 0.003 0.000 0.270 205 S C 1.180 175.795 174.600 0.025 0.000 1.243 205 S CA -0.025 58.200 58.200 0.042 0.000 0.999 205 S CB 1.717 64.933 63.200 0.026 0.000 0.973 205 S HN 0.458 nan 8.310 nan 0.000 0.544 206 S N 0.627 116.337 115.700 0.016 0.000 3.017 206 S HA -0.168 4.304 4.470 0.003 0.000 0.283 206 S C 0.104 174.702 174.600 -0.003 0.000 1.304 206 S CA 0.895 59.091 58.200 -0.005 0.000 1.224 206 S CB -1.317 61.862 63.200 -0.036 0.000 1.480 206 S HN 0.752 nan 8.310 nan 0.000 0.698 207 N N 2.646 121.357 118.700 0.018 0.000 2.470 207 N HA 0.187 4.929 4.740 0.003 0.000 0.268 207 N C -2.318 173.201 175.510 0.015 0.000 1.136 207 N CA -0.943 52.117 53.050 0.017 0.000 0.961 207 N CB 0.733 39.243 38.487 0.038 0.000 1.067 207 N HN 0.248 nan 8.380 nan 0.000 0.468 208 P HA 0.102 nan 4.420 nan 0.000 0.230 208 P C -0.275 177.004 177.300 -0.036 0.000 1.791 208 P CA 0.001 63.095 63.100 -0.011 0.000 1.020 208 P CB -0.131 31.560 31.700 -0.015 0.000 1.977 209 L N 1.989 123.187 121.223 -0.042 0.000 2.367 209 L HA 0.200 4.542 4.340 0.003 0.000 0.275 209 L C 1.539 178.295 176.870 -0.190 0.000 1.129 209 L CA 0.095 54.849 54.840 -0.144 0.000 0.839 209 L CB 0.627 42.590 42.059 -0.160 0.000 1.133 209 L HN 0.114 nan 8.230 nan 0.000 0.453 210 K N 1.623 121.877 120.400 -0.244 0.000 2.425 210 K HA 0.137 4.458 4.320 0.003 0.000 0.201 210 K C -0.303 176.134 176.600 -0.273 0.000 1.128 210 K CA 0.055 56.229 56.287 -0.188 0.000 1.000 210 K CB 0.915 33.354 32.500 -0.103 0.000 0.961 210 K HN 0.713 nan 8.250 nan 0.000 0.555 211 E N 0.085 120.014 120.200 -0.452 0.000 2.335 211 E HA 0.240 4.591 4.350 0.003 0.000 0.280 211 E C -1.367 174.861 176.600 -0.621 0.000 0.918 211 E CA -0.792 55.349 56.400 -0.431 0.000 0.765 211 E CB 0.927 30.527 29.700 -0.168 0.000 1.218 211 E HN -0.165 nan 8.360 nan 0.000 0.425 212 F N 1.834 121.785 119.950 0.001 0.000 2.310 212 F HA 0.304 4.833 4.527 0.003 0.000 0.365 212 F C 0.756 176.533 175.800 -0.038 0.000 1.080 212 F CA -0.830 57.149 58.000 -0.034 0.000 1.187 212 F CB 1.469 40.472 39.000 0.005 0.000 1.465 212 F HN 0.450 nan 8.300 nan 0.000 0.496 213 S N 5.113 120.831 115.700 0.030 0.000 2.642 213 S HA 0.003 4.474 4.470 0.003 0.000 0.308 213 S C -1.904 172.715 174.600 0.033 0.000 1.255 213 S CA -1.081 57.130 58.200 0.018 0.000 1.057 213 S CB 0.120 63.310 63.200 -0.017 0.000 0.785 213 S HN 0.306 nan 8.310 nan 0.000 0.500 214 P HA 0.019 nan 4.420 nan 0.000 0.263 214 P C 0.775 178.082 177.300 0.011 0.000 1.168 214 P CA 1.222 64.345 63.100 0.038 0.000 0.759 214 P CB -0.156 31.556 31.700 0.020 0.000 0.782 215 G N 2.497 111.309 108.800 0.020 0.000 2.198 215 G HA2 -0.334 3.628 3.960 0.003 0.000 0.260 215 G HA3 -0.334 3.628 3.960 0.003 0.000 0.260 215 G C 0.689 175.574 174.900 -0.027 0.000 1.025 215 G CA 0.151 45.256 45.100 0.009 0.000 0.769 215 G HN 0.791 nan 8.290 nan 0.000 0.507 216 C N -2.779 116.468 119.300 -0.089 0.000 2.573 216 C HA 0.688 5.150 4.460 0.003 0.000 0.273 216 C C 1.567 176.286 174.990 -0.451 0.000 1.346 216 C CA 0.284 59.145 59.018 -0.262 0.000 1.702 216 C CB -1.405 26.136 27.740 -0.333 0.000 1.751 216 C HN 0.310 nan 8.230 nan 0.000 0.583 217 F N -0.130 119.822 119.950 0.004 0.000 2.856 217 F HA 0.171 4.700 4.527 0.003 0.000 0.338 217 F C 2.148 177.931 175.800 -0.029 0.000 1.005 217 F CA -0.018 57.971 58.000 -0.017 0.000 1.155 217 F CB -0.378 38.613 39.000 -0.015 0.000 1.010 217 F HN 0.003 nan 8.300 nan 0.000 0.587 218 Q N 0.175 120.059 119.800 0.140 0.000 2.439 218 Q HA -0.080 4.261 4.340 0.003 0.000 0.211 218 Q C 1.663 177.680 176.000 0.029 0.000 0.978 218 Q CA 1.707 57.552 55.803 0.069 0.000 0.897 218 Q CB -1.243 27.518 28.738 0.038 0.000 0.956 218 Q HN 0.510 nan 8.270 nan 0.000 0.483 219 T N -2.606 111.955 114.554 0.011 0.000 3.081 219 T HA 0.174 4.525 4.350 0.003 0.000 0.250 219 T C 0.877 175.543 174.700 -0.057 0.000 1.100 219 T CA -0.288 61.794 62.100 -0.029 0.000 1.038 219 T CB 0.250 69.087 68.868 -0.052 0.000 0.962 219 T HN -0.059 nan 8.240 nan 0.000 0.516 220 I N 2.616 123.170 120.570 -0.026 0.000 2.365 220 I HA 0.363 4.535 4.170 0.003 0.000 0.291 220 I C 1.961 178.040 176.117 -0.062 0.000 1.004 220 I CA -0.549 60.715 61.300 -0.060 0.000 1.311 220 I CB 0.579 38.581 38.000 0.003 0.000 1.401 220 I HN 0.272 nan 8.210 nan 0.000 0.491 221 G N 7.407 116.151 108.800 -0.094 0.000 2.672 221 G HA2 -0.209 3.753 3.960 0.003 0.000 0.218 221 G HA3 -0.209 3.753 3.960 0.003 0.000 0.218 221 G C 0.418 175.258 174.900 -0.100 0.000 1.238 221 G CA 0.765 45.811 45.100 -0.089 0.000 0.791 221 G HN 0.641 nan 8.290 nan 0.000 0.606 222 K N -0.669 119.628 120.400 -0.171 0.000 2.656 222 K HA 0.405 4.727 4.320 0.003 0.000 0.253 222 K C -1.913 174.470 176.600 -0.362 0.000 1.002 222 K CA -0.704 55.438 56.287 -0.242 0.000 0.880 222 K CB 2.281 34.587 32.500 -0.325 0.000 1.232 222 K HN 0.119 nan 8.250 nan 0.000 0.456 223 L N 4.375 125.474 121.223 -0.208 0.000 2.283 223 L HA 0.348 4.689 4.340 0.003 0.000 0.281 223 L C -0.030 176.822 176.870 -0.031 0.000 1.033 223 L CA -0.250 54.494 54.840 -0.160 0.000 0.848 223 L CB -0.020 41.995 42.059 -0.073 0.000 1.226 223 L HN 0.522 nan 8.230 nan 0.000 0.429 224 F N 2.735 122.656 119.950 -0.048 0.000 2.037 224 F HA 0.245 4.774 4.527 0.003 0.000 0.291 224 F C 1.579 177.341 175.800 -0.064 0.000 1.137 224 F CA 0.613 58.582 58.000 -0.052 0.000 1.178 224 F CB -1.036 37.941 39.000 -0.039 0.000 0.995 224 F HN 0.512 nan 8.300 nan 0.000 0.472 225 A N -0.244 122.679 122.820 0.171 0.000 2.256 225 A HA 0.660 4.982 4.320 0.003 0.000 0.318 225 A C -1.317 176.276 177.584 0.015 0.000 1.103 225 A CA -0.352 51.721 52.037 0.061 0.000 0.860 225 A CB 1.218 20.249 19.000 0.051 0.000 1.182 225 A HN 0.282 nan 8.150 nan 0.000 0.501 226 L N -0.269 120.952 121.223 -0.003 0.000 2.556 226 L HA 0.637 4.979 4.340 0.003 0.000 0.257 226 L C -1.831 175.046 176.870 0.010 0.000 0.955 226 L CA -0.174 54.662 54.840 -0.006 0.000 0.850 226 L CB 1.773 43.791 42.059 -0.069 0.000 1.398 226 L HN 0.566 nan 8.230 nan 0.000 0.412 227 L N 6.006 127.250 121.223 0.036 0.000 2.529 227 L HA 0.393 4.735 4.340 0.003 0.000 0.258 227 L C -0.317 176.590 176.870 0.063 0.000 1.032 227 L CA -0.235 54.629 54.840 0.040 0.000 0.899 227 L CB 1.429 43.507 42.059 0.032 0.000 1.174 227 L HN 0.532 nan 8.230 nan 0.000 0.458 228 L N 1.644 122.909 121.223 0.071 0.000 2.888 228 L HA 0.213 4.555 4.340 0.003 0.000 0.237 228 L C 0.420 177.342 176.870 0.086 0.000 1.288 228 L CA -0.313 54.587 54.840 0.101 0.000 1.110 228 L CB -0.653 41.483 42.059 0.128 0.000 1.441 228 L HN 0.587 nan 8.230 nan 0.000 0.474 229 N N 2.153 120.889 118.700 0.060 0.000 2.356 229 N HA -0.141 4.601 4.740 0.003 0.000 0.252 229 N C 0.507 176.040 175.510 0.039 0.000 1.241 229 N CA 0.515 53.590 53.050 0.041 0.000 0.861 229 N CB 0.168 38.665 38.487 0.015 0.000 1.075 229 N HN 0.330 nan 8.380 nan 0.000 0.461 230 N N 0.259 118.979 118.700 0.034 0.000 2.652 230 N HA -0.297 4.445 4.740 0.003 0.000 0.281 230 N C -0.605 174.929 175.510 0.041 0.000 1.084 230 N CA 0.362 53.429 53.050 0.029 0.000 0.775 230 N CB -0.380 38.108 38.487 0.002 0.000 0.923 230 N HN 0.670 nan 8.380 nan 0.000 0.558 231 A N 2.559 125.418 122.820 0.064 0.000 2.635 231 A HA 0.150 4.471 4.320 0.003 0.000 0.279 231 A C 0.349 177.978 177.584 0.075 0.000 1.122 231 A CA 0.170 52.251 52.037 0.074 0.000 0.965 231 A CB 0.495 19.565 19.000 0.116 0.000 1.221 231 A HN 0.650 nan 8.150 nan 0.000 0.566 232 Q N -0.373 119.468 119.800 0.068 0.000 2.420 232 Q HA -0.185 4.157 4.340 0.003 0.000 0.367 232 Q C -1.174 174.873 176.000 0.079 0.000 1.369 232 Q CA 0.382 56.223 55.803 0.063 0.000 1.080 232 Q CB -1.220 27.543 28.738 0.042 0.000 1.223 232 Q HN 0.434 nan 8.270 nan 0.000 0.315 233 L N 1.450 122.733 121.223 0.101 0.000 2.295 233 L HA 0.425 4.767 4.340 0.003 0.000 0.285 233 L C 0.449 177.374 176.870 0.091 0.000 1.035 233 L CA -0.249 54.665 54.840 0.123 0.000 0.806 233 L CB 1.417 43.570 42.059 0.157 0.000 1.214 233 L HN 0.349 nan 8.230 nan 0.000 0.426 234 N N 3.083 121.836 118.700 0.088 0.000 2.515 234 N HA 0.349 5.091 4.740 0.003 0.000 0.279 234 N C -1.915 173.625 175.510 0.050 0.000 1.164 234 N CA -1.379 51.711 53.050 0.067 0.000 0.982 234 N CB 1.378 39.910 38.487 0.075 0.000 1.170 234 N HN 0.279 nan 8.380 nan 0.000 0.474 235 P HA -0.138 nan 4.420 nan 0.000 0.220 235 P C 0.277 177.564 177.300 -0.022 0.000 1.144 235 P CA 1.330 64.409 63.100 -0.034 0.000 0.800 235 P CB 0.113 31.794 31.700 -0.032 0.000 0.772 236 H N -1.617 117.412 119.070 -0.068 0.000 2.344 236 H HA 0.059 4.616 4.556 0.003 0.000 0.307 236 H C 1.662 176.971 175.328 -0.032 0.000 1.057 236 H CA 0.934 56.942 56.048 -0.066 0.000 1.373 236 H CB -0.790 28.956 29.762 -0.027 0.000 1.421 236 H HN -0.154 nan 8.280 nan 0.000 0.532 237 L N 0.099 121.401 121.223 0.131 0.000 2.043 237 L HA -0.218 4.124 4.340 0.003 0.000 0.212 237 L C 2.366 179.310 176.870 0.125 0.000 1.075 237 L CA 2.072 57.017 54.840 0.175 0.000 0.752 237 L CB -1.089 41.100 42.059 0.217 0.000 0.891 237 L HN 0.337 nan 8.230 nan 0.000 0.432 238 T N -1.431 113.140 114.554 0.028 0.000 2.643 238 T HA -0.239 4.113 4.350 0.003 0.000 0.264 238 T C 1.798 176.372 174.700 -0.209 0.000 1.045 238 T CA 1.411 63.476 62.100 -0.058 0.000 1.155 238 T CB -0.231 68.589 68.868 -0.080 0.000 0.863 238 T HN 0.405 nan 8.240 nan 0.000 0.420 239 E N 0.876 120.885 120.200 -0.318 0.000 2.114 239 E HA -0.255 4.096 4.350 0.003 0.000 0.199 239 E C 2.273 178.448 176.600 -0.709 0.000 1.008 239 E CA 1.321 57.409 56.400 -0.520 0.000 0.810 239 E CB -0.042 29.345 29.700 -0.523 0.000 0.739 239 E HN 0.347 nan 8.360 nan 0.000 0.456 240 K N 0.360 120.456 120.400 -0.507 0.000 1.991 240 K HA -0.152 4.170 4.320 0.003 0.000 0.207 240 K C 2.451 178.955 176.600 -0.160 0.000 1.045 240 K CA 1.001 57.081 56.287 -0.345 0.000 0.937 240 K CB -0.346 32.104 32.500 -0.083 0.000 0.720 240 K HN 0.180 nan 8.250 nan 0.000 0.438 241 L N 2.075 123.240 121.223 -0.097 0.000 2.103 241 L HA -0.302 4.040 4.340 0.003 0.000 0.215 241 L C 2.162 178.926 176.870 -0.176 0.000 1.080 241 L CA 1.946 56.636 54.840 -0.250 0.000 0.764 241 L CB -1.062 40.604 42.059 -0.654 0.000 0.890 241 L HN 0.305 nan 8.230 nan 0.000 0.435 242 C N -1.030 118.136 119.300 -0.223 0.000 2.376 242 C HA -0.235 4.227 4.460 0.003 0.000 0.275 242 C C 2.428 177.382 174.990 -0.060 0.000 1.200 242 C CA 1.085 59.994 59.018 -0.182 0.000 1.756 242 C CB -1.699 25.868 27.740 -0.288 0.000 2.050 242 C HN 0.818 nan 8.230 nan 0.000 0.460 243 W N 1.140 122.402 121.300 -0.063 0.000 2.350 243 W HA -0.075 4.586 4.660 0.003 0.000 0.289 243 W C 2.185 178.669 176.519 -0.058 0.000 1.215 243 W CA 1.151 58.440 57.345 -0.094 0.000 1.236 243 W CB -1.025 28.359 29.460 -0.127 0.000 1.130 243 W HN 0.528 nan 8.180 nan 0.000 0.541 244 E N -0.033 120.302 120.200 0.225 0.000 2.427 244 E HA -0.032 4.320 4.350 0.003 0.000 0.196 244 E C 1.884 178.660 176.600 0.292 0.000 1.028 244 E CA 0.624 57.178 56.400 0.257 0.000 0.864 244 E CB -0.566 29.315 29.700 0.301 0.000 0.813 244 E HN 0.355 nan 8.360 nan 0.000 0.514 245 L N 0.699 121.976 121.223 0.090 0.000 2.611 245 L HA 0.122 4.464 4.340 0.003 0.000 0.229 245 L C 0.852 177.709 176.870 -0.022 0.000 1.137 245 L CA -0.158 54.609 54.840 -0.122 0.000 0.901 245 L CB 0.171 42.100 42.059 -0.216 0.000 1.098 245 L HN -0.169 nan 8.230 nan 0.000 0.456 246 S N 0.026 115.761 115.700 0.058 0.000 2.624 246 S HA 0.140 4.612 4.470 0.003 0.000 0.263 246 S C 0.954 175.606 174.600 0.087 0.000 1.287 246 S CA -0.545 57.708 58.200 0.089 0.000 0.990 246 S CB 0.536 63.759 63.200 0.039 0.000 0.950 246 S HN 0.399 nan 8.310 nan 0.000 0.561 247 N N 0.438 119.235 118.700 0.163 0.000 2.627 247 N HA -0.172 4.570 4.740 0.003 0.000 0.248 247 N C 0.174 175.742 175.510 0.097 0.000 1.173 247 N CA 1.480 54.627 53.050 0.161 0.000 0.741 247 N CB -1.572 37.000 38.487 0.143 0.000 1.128 247 N HN 0.832 nan 8.380 nan 0.000 0.562 248 T N -3.941 110.656 114.554 0.072 0.000 2.927 248 T HA 0.460 4.812 4.350 0.003 0.000 0.281 248 T C 0.971 175.706 174.700 0.059 0.000 0.998 248 T CA -0.623 61.502 62.100 0.043 0.000 1.019 248 T CB 1.724 70.584 68.868 -0.014 0.000 1.061 248 T HN -0.013 nan 8.240 nan 0.000 0.518 249 S N 1.067 116.814 115.700 0.079 0.000 2.840 249 S HA 0.166 4.637 4.470 0.003 0.000 0.235 249 S C 0.693 175.430 174.600 0.228 0.000 0.968 249 S CA -0.595 57.711 58.200 0.176 0.000 1.026 249 S CB -0.721 62.636 63.200 0.262 0.000 0.788 249 S HN 0.673 nan 8.310 nan 0.000 0.487 250 I N 2.493 123.118 120.570 0.091 0.000 2.533 250 I HA 0.090 4.261 4.170 0.003 0.000 0.284 250 I C 0.685 176.820 176.117 0.029 0.000 1.109 250 I CA 0.685 62.013 61.300 0.048 0.000 1.412 250 I CB 0.792 38.744 38.000 -0.080 0.000 1.396 250 I HN 0.300 nan 8.210 nan 0.000 0.543 251 Q N 4.749 124.563 119.800 0.024 0.000 2.477 251 Q HA 0.191 4.533 4.340 0.003 0.000 0.252 251 Q C -0.308 175.678 176.000 -0.024 0.000 0.869 251 Q CA 0.150 55.939 55.803 -0.024 0.000 0.969 251 Q CB 0.599 29.285 28.738 -0.088 0.000 1.144 251 Q HN 0.622 nan 8.270 nan 0.000 0.577 252 N N 0.518 119.205 118.700 -0.021 0.000 2.361 252 N HA 0.526 5.267 4.740 0.003 0.000 0.302 252 N C -1.692 173.800 175.510 -0.030 0.000 1.074 252 N CA -0.395 52.640 53.050 -0.025 0.000 0.850 252 N CB 1.902 40.369 38.487 -0.033 0.000 1.228 252 N HN -0.047 nan 8.380 nan 0.000 0.491 253 L N 0.614 121.818 121.223 -0.031 0.000 2.505 253 L HA 0.519 4.861 4.340 0.003 0.000 0.266 253 L C -1.010 175.853 176.870 -0.012 0.000 0.954 253 L CA -0.336 54.483 54.840 -0.035 0.000 0.852 253 L CB 1.850 43.872 42.059 -0.062 0.000 1.282 253 L HN 0.479 nan 8.230 nan 0.000 0.403 254 S N 5.618 121.321 115.700 0.006 0.000 2.449 254 S HA 0.772 5.244 4.470 0.003 0.000 0.310 254 S C -0.760 173.871 174.600 0.052 0.000 1.096 254 S CA -0.484 57.734 58.200 0.030 0.000 1.095 254 S CB 0.533 63.750 63.200 0.028 0.000 1.007 254 S HN 0.628 nan 8.310 nan 0.000 0.474 255 L N 4.388 125.657 121.223 0.077 0.000 2.594 255 L HA 0.513 4.854 4.340 0.003 0.000 0.245 255 L C 0.100 177.041 176.870 0.118 0.000 1.460 255 L CA -0.542 54.361 54.840 0.105 0.000 0.865 255 L CB 0.658 42.802 42.059 0.141 0.000 1.131 255 L HN 0.703 nan 8.230 nan 0.000 0.506 256 A N 0.849 123.727 122.820 0.097 0.000 2.306 256 A HA 0.591 4.912 4.320 0.003 0.000 0.314 256 A C 0.394 178.028 177.584 0.085 0.000 1.164 256 A CA -0.343 51.758 52.037 0.107 0.000 0.822 256 A CB 0.390 19.425 19.000 0.059 0.000 1.130 256 A HN 0.679 nan 8.150 nan 0.000 0.496 257 N N 1.852 120.626 118.700 0.122 0.000 2.621 257 N HA -0.125 4.617 4.740 0.003 0.000 0.269 257 N C -0.783 174.781 175.510 0.091 0.000 1.154 257 N CA 0.943 54.050 53.050 0.094 0.000 0.696 257 N CB -0.927 37.566 38.487 0.010 0.000 0.878 257 N HN 0.818 nan 8.380 nan 0.000 0.550 258 N N 0.313 119.080 118.700 0.112 0.000 3.278 258 N HA 0.273 5.014 4.740 0.003 0.000 0.307 258 N C -0.146 175.422 175.510 0.097 0.000 1.551 258 N CA -0.466 52.644 53.050 0.099 0.000 0.794 258 N CB 0.436 38.988 38.487 0.109 0.000 1.770 258 N HN 0.075 nan 8.380 nan 0.000 0.612 259 Q N 0.784 120.634 119.800 0.083 0.000 2.241 259 Q HA 0.401 4.742 4.340 0.003 0.000 0.296 259 Q C -0.717 175.322 176.000 0.066 0.000 0.889 259 Q CA -0.117 55.730 55.803 0.073 0.000 1.089 259 Q CB -0.252 28.521 28.738 0.058 0.000 1.195 259 Q HN 0.291 nan 8.270 nan 0.000 0.451 260 L N 1.065 122.334 121.223 0.076 0.000 2.436 260 L HA 0.050 4.391 4.340 0.003 0.000 0.244 260 L C 0.768 177.677 176.870 0.065 0.000 1.396 260 L CA 0.562 55.436 54.840 0.056 0.000 1.217 260 L CB -0.499 41.603 42.059 0.072 0.000 1.420 260 L HN 0.415 nan 8.230 nan 0.000 0.434 261 L N 0.676 121.935 121.223 0.059 0.000 2.447 261 L HA -0.056 4.285 4.340 0.003 0.000 0.225 261 L C 1.029 177.945 176.870 0.077 0.000 1.148 261 L CA 0.651 55.535 54.840 0.073 0.000 0.808 261 L CB -0.586 41.503 42.059 0.050 0.000 0.928 261 L HN 0.655 nan 8.230 nan 0.000 0.448 262 A N -0.958 121.888 122.820 0.042 0.000 2.586 262 A HA 0.629 4.950 4.320 0.003 0.000 0.291 262 A C -0.482 177.079 177.584 -0.039 0.000 1.062 262 A CA -0.152 51.900 52.037 0.026 0.000 0.666 262 A CB 1.205 20.216 19.000 0.017 0.000 1.281 262 A HN 0.011 nan 8.150 nan 0.000 0.421 263 T N -1.327 113.186 114.554 -0.069 0.000 2.896 263 T HA 0.889 5.241 4.350 0.003 0.000 0.297 263 T C -0.123 174.474 174.700 -0.173 0.000 1.108 263 T CA 0.157 62.145 62.100 -0.186 0.000 1.004 263 T CB 1.468 70.193 68.868 -0.238 0.000 1.159 263 T HN 2.124 nan 8.240 nan 0.000 0.499 264 S N 0.083 115.648 115.700 -0.225 0.000 2.740 264 S HA 0.502 4.973 4.470 0.003 0.000 0.300 264 S C 0.833 175.330 174.600 -0.172 0.000 1.147 264 S CA -0.784 57.325 58.200 -0.152 0.000 0.871 264 S CB 1.655 64.800 63.200 -0.091 0.000 1.173 264 S HN 0.882 nan 8.310 nan 0.000 0.510 265 E N 0.677 120.819 120.200 -0.096 0.000 2.204 265 E HA -0.135 4.217 4.350 0.003 0.000 0.194 265 E C 1.680 178.329 176.600 0.083 0.000 0.989 265 E CA 1.588 57.947 56.400 -0.068 0.000 0.824 265 E CB -0.209 29.456 29.700 -0.059 0.000 0.756 265 E HN 0.729 nan 8.360 nan 0.000 0.477 266 S N -0.566 115.157 115.700 0.038 0.000 2.461 266 S HA -0.059 4.413 4.470 0.003 0.000 0.228 266 S C 1.945 176.466 174.600 -0.132 0.000 1.005 266 S CA 0.998 59.221 58.200 0.040 0.000 0.942 266 S CB -0.268 62.949 63.200 0.029 0.000 0.776 266 S HN 0.118 nan 8.310 nan 0.000 0.514 267 T N 2.478 116.885 114.554 -0.245 0.000 2.529 267 T HA -0.060 4.291 4.350 0.003 0.000 0.261 267 T C 0.808 175.212 174.700 -0.494 0.000 1.110 267 T CA 1.661 63.470 62.100 -0.484 0.000 1.192 267 T CB -0.686 67.726 68.868 -0.761 0.000 0.864 267 T HN 0.507 nan 8.240 nan 0.000 0.407 268 F N 1.958 121.836 119.950 -0.120 0.000 2.725 268 F HA 0.200 4.729 4.527 0.003 0.000 0.303 268 F C 2.336 178.112 175.800 -0.039 0.000 1.167 268 F CA -0.293 57.654 58.000 -0.087 0.000 1.403 268 F CB -1.161 37.830 39.000 -0.015 0.000 1.077 268 F HN 0.195 nan 8.300 nan 0.000 0.537 269 S N -0.253 115.462 115.700 0.025 0.000 2.400 269 S HA -0.180 4.292 4.470 0.003 0.000 0.232 269 S C 2.423 176.854 174.600 -0.282 0.000 1.025 269 S CA 1.312 59.389 58.200 -0.205 0.000 0.993 269 S CB -1.099 62.066 63.200 -0.059 0.000 0.808 269 S HN 0.412 nan 8.310 nan 0.000 0.478 270 G N 1.413 110.009 108.800 -0.340 0.000 2.470 270 G HA2 0.005 3.967 3.960 0.003 0.000 0.220 270 G HA3 0.005 3.967 3.960 0.003 0.000 0.220 270 G C 1.226 176.172 174.900 0.077 0.000 1.121 270 G CA 0.613 45.596 45.100 -0.194 0.000 0.766 270 G HN 0.469 nan 8.290 nan 0.000 0.553 271 L N 1.275 122.522 121.223 0.039 0.000 2.478 271 L HA 0.040 4.381 4.340 0.003 0.000 0.223 271 L C 2.746 179.698 176.870 0.137 0.000 1.140 271 L CA 1.450 56.348 54.840 0.097 0.000 0.842 271 L CB -0.933 41.182 42.059 0.094 0.000 0.953 271 L HN 0.533 nan 8.230 nan 0.000 0.452 272 K N -0.706 119.749 120.400 0.091 0.000 2.127 272 K HA -0.254 4.068 4.320 0.003 0.000 0.208 272 K C 1.752 178.444 176.600 0.153 0.000 1.047 272 K CA 1.758 58.099 56.287 0.090 0.000 0.927 272 K CB -0.579 31.865 32.500 -0.094 0.000 0.716 272 K HN 0.321 nan 8.250 nan 0.000 0.450 273 W N 3.566 124.866 121.300 0.000 0.000 3.310 273 W HA 0.019 4.680 4.660 0.003 0.000 0.259 273 W C 0.355 176.884 176.519 0.015 0.000 1.324 273 W CA 0.827 58.180 57.345 0.014 0.000 1.636 273 W CB -0.074 29.401 29.460 0.025 0.000 1.104 273 W HN 0.328 nan 8.180 nan 0.000 0.722 274 T N -2.280 112.387 114.554 0.187 0.000 2.870 274 T HA 0.285 4.636 4.350 0.003 0.000 0.277 274 T C -0.174 174.561 174.700 0.058 0.000 1.000 274 T CA -0.609 61.557 62.100 0.110 0.000 0.982 274 T CB 2.024 70.938 68.868 0.076 0.000 1.249 274 T HN -0.189 nan 8.240 nan 0.000 0.589 275 N N 1.347 120.070 118.700 0.038 0.000 2.804 275 N HA 0.265 5.006 4.740 0.003 0.000 0.251 275 N C -1.551 173.961 175.510 0.003 0.000 1.250 275 N CA -0.372 52.687 53.050 0.015 0.000 0.820 275 N CB 0.390 38.885 38.487 0.013 0.000 1.156 275 N HN 0.484 nan 8.380 nan 0.000 0.512 276 L N 2.182 123.407 121.223 0.002 0.000 2.257 276 L HA 0.321 4.662 4.340 0.003 0.000 0.290 276 L C 1.545 178.412 176.870 -0.005 0.000 1.044 276 L CA 0.147 54.982 54.840 -0.007 0.000 0.810 276 L CB 1.151 43.202 42.059 -0.013 0.000 1.193 276 L HN 0.326 nan 8.230 nan 0.000 0.425 277 T N 2.551 117.111 114.554 0.009 0.000 2.739 277 T HA -0.039 4.312 4.350 0.003 0.000 0.249 277 T C 0.625 175.410 174.700 0.142 0.000 1.050 277 T CA 0.834 62.972 62.100 0.064 0.000 1.165 277 T CB 0.220 69.134 68.868 0.076 0.000 0.872 277 T HN 0.549 nan 8.240 nan 0.000 0.411 278 Q N 0.578 120.449 119.800 0.118 0.000 2.337 278 Q HA 0.590 4.932 4.340 0.003 0.000 0.266 278 Q C -1.870 174.152 176.000 0.036 0.000 1.023 278 Q CA -0.799 55.084 55.803 0.133 0.000 0.829 278 Q CB 1.420 30.201 28.738 0.070 0.000 1.306 278 Q HN 0.275 nan 8.270 nan 0.000 0.449 279 L N 3.040 124.278 121.223 0.025 0.000 2.410 279 L HA 0.576 4.917 4.340 0.003 0.000 0.270 279 L C -1.803 175.066 176.870 -0.001 0.000 0.983 279 L CA -0.184 54.635 54.840 -0.036 0.000 0.822 279 L CB 2.195 44.179 42.059 -0.125 0.000 1.285 279 L HN 0.749 nan 8.230 nan 0.000 0.409 280 D N 3.774 124.182 120.400 0.015 0.000 2.362 280 D HA 0.570 5.212 4.640 0.003 0.000 0.247 280 D C -0.411 175.939 176.300 0.084 0.000 1.050 280 D CA -0.184 53.851 54.000 0.059 0.000 0.839 280 D CB 1.342 42.184 40.800 0.069 0.000 1.283 280 D HN 0.643 nan 8.370 nan 0.000 0.477 281 L N 2.411 123.704 121.223 0.116 0.000 3.483 281 L HA 0.195 4.537 4.340 0.003 0.000 0.327 281 L C 0.233 177.205 176.870 0.169 0.000 1.318 281 L CA -0.430 54.505 54.840 0.159 0.000 0.979 281 L CB 0.428 42.605 42.059 0.197 0.000 1.404 281 L HN 0.355 nan 8.230 nan 0.000 0.615 282 S N -1.403 114.413 115.700 0.193 0.000 2.584 282 S HA 0.215 4.687 4.470 0.003 0.000 0.270 282 S C 0.128 174.945 174.600 0.361 0.000 1.346 282 S CA -0.199 58.156 58.200 0.258 0.000 1.018 282 S CB 0.058 63.479 63.200 0.369 0.000 0.899 282 S HN 0.281 nan 8.310 nan 0.000 0.542 283 Y N 0.150 120.534 120.300 0.140 0.000 2.983 283 Y HA -0.188 4.364 4.550 0.003 0.000 0.185 283 Y C 0.814 176.771 175.900 0.095 0.000 1.476 283 Y CA 0.500 58.668 58.100 0.113 0.000 0.866 283 Y CB -2.222 36.272 38.460 0.057 0.000 1.331 283 Y HN 0.830 nan 8.280 nan 0.000 0.403 284 N N 0.789 119.606 118.700 0.195 0.000 2.167 284 N HA 0.022 4.764 4.740 0.003 0.000 0.234 284 N C 0.024 175.611 175.510 0.129 0.000 1.312 284 N CA 0.031 53.176 53.050 0.158 0.000 0.861 284 N CB 0.308 38.888 38.487 0.154 0.000 1.217 284 N HN 0.522 nan 8.380 nan 0.000 0.504 285 N N 1.243 120.016 118.700 0.121 0.000 2.666 285 N HA -0.217 4.525 4.740 0.003 0.000 0.248 285 N C -0.061 175.522 175.510 0.123 0.000 1.118 285 N CA 0.428 53.545 53.050 0.113 0.000 0.722 285 N CB -1.027 37.528 38.487 0.112 0.000 1.050 285 N HN 0.318 nan 8.380 nan 0.000 0.550 286 L N 1.683 122.974 121.223 0.113 0.000 2.654 286 L HA -0.039 4.303 4.340 0.003 0.000 0.271 286 L C 1.595 178.551 176.870 0.143 0.000 1.169 286 L CA 0.806 55.719 54.840 0.121 0.000 0.947 286 L CB 0.275 42.401 42.059 0.111 0.000 1.232 286 L HN 0.137 nan 8.230 nan 0.000 0.486 287 H N 2.430 121.539 119.070 0.064 0.000 2.639 287 H HA 0.260 4.818 4.556 0.003 0.000 0.267 287 H C -0.504 174.869 175.328 0.075 0.000 0.958 287 H CA 0.196 56.287 56.048 0.072 0.000 1.221 287 H CB 0.599 30.397 29.762 0.059 0.000 1.446 287 H HN 0.691 nan 8.280 nan 0.000 0.512 288 D N -0.106 120.446 120.400 0.252 0.000 2.505 288 D HA 0.316 4.958 4.640 0.003 0.000 0.249 288 D C -0.829 175.533 176.300 0.103 0.000 1.082 288 D CA -0.400 53.707 54.000 0.179 0.000 0.839 288 D CB 3.050 43.924 40.800 0.123 0.000 1.317 288 D HN -0.156 nan 8.370 nan 0.000 0.497 289 V N 2.426 122.395 119.914 0.093 0.000 2.384 289 V HA 0.454 4.576 4.120 0.003 0.000 0.257 289 V C 0.973 177.082 176.094 0.024 0.000 0.969 289 V CA -0.858 61.476 62.300 0.056 0.000 0.910 289 V CB 0.917 32.806 31.823 0.110 0.000 1.150 289 V HN 0.699 nan 8.190 nan 0.000 0.481 290 G N 2.122 110.913 108.800 -0.016 0.000 2.818 290 G HA2 -0.066 3.896 3.960 0.003 0.000 0.235 290 G HA3 -0.066 3.896 3.960 0.003 0.000 0.235 290 G C 0.181 175.068 174.900 -0.022 0.000 1.244 290 G CA -0.157 44.932 45.100 -0.017 0.000 0.853 290 G HN 0.590 nan 8.290 nan 0.000 0.596 291 N N 0.425 119.130 118.700 0.009 0.000 2.483 291 N HA 0.211 4.952 4.740 0.003 0.000 0.264 291 N C 1.304 176.809 175.510 -0.008 0.000 1.197 291 N CA 1.189 54.259 53.050 0.033 0.000 0.927 291 N CB 1.032 39.550 38.487 0.052 0.000 1.065 291 N HN 1.086 nan 8.380 nan 0.000 0.461 292 G N 1.575 110.383 108.800 0.014 0.000 2.225 292 G HA2 -0.331 3.630 3.960 0.003 0.000 0.267 292 G HA3 -0.331 3.630 3.960 0.003 0.000 0.267 292 G C 1.009 175.791 174.900 -0.197 0.000 1.024 292 G CA 0.650 45.712 45.100 -0.063 0.000 0.784 292 G HN 0.540 nan 8.290 nan 0.000 0.507 293 S N -0.881 114.669 115.700 -0.250 0.000 2.442 293 S HA 0.031 4.503 4.470 0.003 0.000 0.236 293 S C 1.354 175.683 174.600 -0.451 0.000 1.007 293 S CA 1.433 59.380 58.200 -0.422 0.000 0.965 293 S CB -0.198 62.598 63.200 -0.673 0.000 0.773 293 S HN 0.510 nan 8.310 nan 0.000 0.504 294 F N 0.908 120.833 119.950 -0.043 0.000 2.654 294 F HA 0.231 4.760 4.527 0.003 0.000 0.303 294 F C 1.947 177.623 175.800 -0.206 0.000 1.099 294 F CA -0.360 57.603 58.000 -0.061 0.000 1.270 294 F CB -0.468 38.482 39.000 -0.084 0.000 1.024 294 F HN 0.087 nan 8.300 nan 0.000 0.548 295 S N -1.191 114.338 115.700 -0.285 0.000 2.493 295 S HA -0.234 4.238 4.470 0.003 0.000 0.243 295 S C 1.290 175.642 174.600 -0.412 0.000 0.991 295 S CA 1.086 58.957 58.200 -0.549 0.000 0.957 295 S CB -1.001 61.771 63.200 -0.712 0.000 0.756 295 S HN 0.582 nan 8.310 nan 0.000 0.521 296 Y N 0.875 121.164 120.300 -0.018 0.000 2.468 296 Y HA 0.445 4.997 4.550 0.003 0.000 0.268 296 Y C 0.602 176.514 175.900 0.020 0.000 1.177 296 Y CA -0.450 57.658 58.100 0.015 0.000 1.265 296 Y CB 0.174 38.676 38.460 0.070 0.000 1.103 296 Y HN 0.210 nan 8.280 nan 0.000 0.522 297 L N 2.793 124.091 121.223 0.125 0.000 2.825 297 L HA 0.266 4.608 4.340 0.003 0.000 0.236 297 L C -1.976 174.903 176.870 0.014 0.000 1.301 297 L CA -1.288 53.595 54.840 0.072 0.000 0.977 297 L CB 0.453 42.550 42.059 0.064 0.000 1.300 297 L HN -0.097 nan 8.230 nan 0.000 0.486 298 P HA -0.037 nan 4.420 nan 0.000 0.259 298 P C 0.862 178.150 177.300 -0.020 0.000 1.307 298 P CA 0.666 63.756 63.100 -0.017 0.000 0.768 298 P CB 0.703 32.392 31.700 -0.018 0.000 1.199 299 S N -1.482 114.206 115.700 -0.021 0.000 2.648 299 S HA 0.142 4.613 4.470 0.003 0.000 0.270 299 S C 0.420 174.991 174.600 -0.049 0.000 1.080 299 S CA -0.410 57.768 58.200 -0.038 0.000 1.159 299 S CB -0.295 62.889 63.200 -0.028 0.000 1.091 299 S HN 0.076 nan 8.310 nan 0.000 0.605 300 L N 3.394 124.594 121.223 -0.039 0.000 2.584 300 L HA 0.198 4.539 4.340 0.003 0.000 0.272 300 L C 0.933 177.741 176.870 -0.103 0.000 1.195 300 L CA 0.374 55.183 54.840 -0.053 0.000 0.920 300 L CB 0.473 42.498 42.059 -0.056 0.000 1.173 300 L HN 0.218 nan 8.230 nan 0.000 0.489 301 R N 3.446 123.845 120.500 -0.169 0.000 2.225 301 R HA 0.175 4.517 4.340 0.003 0.000 0.194 301 R C -0.715 175.214 176.300 -0.618 0.000 0.957 301 R CA 0.136 55.981 56.100 -0.425 0.000 1.042 301 R CB 0.254 30.192 30.300 -0.604 0.000 1.004 301 R HN 0.465 nan 8.270 nan 0.000 0.509 302 Y N 0.463 120.782 120.300 0.032 0.000 2.462 302 Y HA 0.554 5.106 4.550 0.003 0.000 0.346 302 Y C -0.797 175.130 175.900 0.044 0.000 0.976 302 Y CA -1.512 56.655 58.100 0.113 0.000 1.044 302 Y CB 2.154 40.669 38.460 0.092 0.000 1.230 302 Y HN -0.212 nan 8.280 nan 0.000 0.455 303 L N 2.371 123.699 121.223 0.174 0.000 2.580 303 L HA 0.550 4.892 4.340 0.003 0.000 0.266 303 L C -1.178 175.685 176.870 -0.011 0.000 0.955 303 L CA -0.336 54.511 54.840 0.011 0.000 0.886 303 L CB 2.040 44.017 42.059 -0.138 0.000 1.263 303 L HN 0.536 nan 8.230 nan 0.000 0.406 304 S N 4.942 120.663 115.700 0.035 0.000 2.474 304 S HA 0.582 5.054 4.470 0.003 0.000 0.321 304 S C -0.083 174.541 174.600 0.039 0.000 1.080 304 S CA -0.413 57.811 58.200 0.039 0.000 1.106 304 S CB 0.689 63.964 63.200 0.125 0.000 0.984 304 S HN 0.634 nan 8.310 nan 0.000 0.464 305 L N 4.574 125.799 121.223 0.003 0.000 2.928 305 L HA 0.421 4.762 4.340 0.003 0.000 0.246 305 L C 0.776 177.630 176.870 -0.026 0.000 1.239 305 L CA 0.212 55.055 54.840 0.006 0.000 1.035 305 L CB -0.345 41.700 42.059 -0.023 0.000 1.360 305 L HN 0.726 nan 8.230 nan 0.000 0.529 306 E N -0.634 119.581 120.200 0.024 0.000 2.458 306 E HA -0.090 4.262 4.350 0.003 0.000 0.264 306 E C -0.488 176.101 176.600 -0.019 0.000 1.097 306 E CA -0.031 56.380 56.400 0.018 0.000 0.973 306 E CB 0.115 29.967 29.700 0.254 0.000 0.963 306 E HN 0.076 nan 8.360 nan 0.000 0.451 307 Y N 0.372 120.470 120.300 -0.337 0.000 2.995 307 Y HA -0.289 4.263 4.550 0.003 0.000 0.201 307 Y C 0.037 175.743 175.900 -0.322 0.000 1.337 307 Y CA 0.543 58.354 58.100 -0.482 0.000 0.814 307 Y CB -1.403 36.355 38.460 -1.170 0.000 1.271 307 Y HN 0.397 nan 8.280 nan 0.000 0.390 308 N N 0.808 119.435 118.700 -0.122 0.000 2.732 308 N HA 0.299 5.041 4.740 0.003 0.000 0.259 308 N C -0.741 174.740 175.510 -0.048 0.000 1.402 308 N CA -0.991 52.031 53.050 -0.047 0.000 0.829 308 N CB 1.402 39.871 38.487 -0.030 0.000 1.495 308 N HN 0.291 nan 8.380 nan 0.000 0.511 309 N N 1.315 120.018 118.700 0.004 0.000 3.112 309 N HA 0.348 5.090 4.740 0.003 0.000 0.270 309 N C -0.667 174.824 175.510 -0.031 0.000 1.385 309 N CA -0.071 52.983 53.050 0.007 0.000 0.986 309 N CB 0.826 39.339 38.487 0.042 0.000 1.261 309 N HN 0.433 nan 8.380 nan 0.000 0.495 310 I N 1.402 121.980 120.570 0.015 0.000 2.441 310 I HA -0.007 4.165 4.170 0.003 0.000 0.287 310 I C 1.730 177.920 176.117 0.123 0.000 1.049 310 I CA -0.102 61.243 61.300 0.075 0.000 1.381 310 I CB 1.738 39.820 38.000 0.137 0.000 1.409 310 I HN 0.222 nan 8.210 nan 0.000 0.523 311 Q N 5.742 125.498 119.800 -0.074 0.000 2.049 311 Q HA -0.021 4.320 4.340 0.003 0.000 0.198 311 Q C 0.109 176.139 176.000 0.049 0.000 0.971 311 Q CA 1.449 57.201 55.803 -0.085 0.000 0.833 311 Q CB 0.323 28.997 28.738 -0.107 0.000 0.896 311 Q HN 0.732 nan 8.270 nan 0.000 0.434 312 R N -2.317 118.252 120.500 0.115 0.000 2.741 312 R HA 0.528 4.870 4.340 0.003 0.000 0.274 312 R C -1.734 174.675 176.300 0.182 0.000 1.029 312 R CA -0.780 55.376 56.100 0.094 0.000 0.880 312 R CB 0.442 30.768 30.300 0.043 0.000 1.264 312 R HN 0.001 nan 8.270 nan 0.000 0.465 313 L N 2.394 123.708 121.223 0.152 0.000 2.442 313 L HA 0.404 4.745 4.340 0.003 0.000 0.261 313 L C -0.172 176.777 176.870 0.132 0.000 1.000 313 L CA -0.854 54.117 54.840 0.219 0.000 0.882 313 L CB 1.885 44.149 42.059 0.342 0.000 1.207 313 L HN 0.959 nan 8.230 nan 0.000 0.443 314 S N 2.368 118.155 115.700 0.144 0.000 2.608 314 S HA 0.333 4.805 4.470 0.003 0.000 0.261 314 S C -1.350 173.358 174.600 0.180 0.000 1.314 314 S CA -0.894 57.379 58.200 0.121 0.000 0.992 314 S CB 0.704 63.975 63.200 0.118 0.000 0.935 314 S HN 0.447 nan 8.310 nan 0.000 0.564 315 P HA -0.154 nan 4.420 nan 0.000 0.216 315 P C 1.155 178.759 177.300 0.507 0.000 1.150 315 P CA 1.238 64.482 63.100 0.240 0.000 0.843 315 P CB 0.011 31.814 31.700 0.172 0.000 0.787 316 R N -0.119 120.623 120.500 0.404 0.000 2.323 316 R HA 0.118 4.459 4.340 0.003 0.000 0.198 316 R C 2.240 178.759 176.300 0.365 0.000 0.988 316 R CA 0.442 56.784 56.100 0.403 0.000 1.041 316 R CB -1.086 29.334 30.300 0.200 0.000 0.926 316 R HN 0.040 nan 8.270 nan 0.000 0.476 317 S N -0.236 115.709 115.700 0.408 0.000 2.351 317 S HA -0.124 4.348 4.470 0.003 0.000 0.220 317 S C 0.769 175.559 174.600 0.317 0.000 1.035 317 S CA 1.329 59.731 58.200 0.337 0.000 1.031 317 S CB -0.214 63.233 63.200 0.411 0.000 0.928 317 S HN 0.349 nan 8.310 nan 0.000 0.433 318 F N 0.406 120.617 119.950 0.435 0.000 2.773 318 F HA 0.282 4.811 4.527 0.003 0.000 0.304 318 F C 0.433 176.346 175.800 0.190 0.000 1.129 318 F CA -0.922 57.324 58.000 0.410 0.000 1.378 318 F CB -0.602 38.704 39.000 0.511 0.000 1.095 318 F HN 0.169 nan 8.300 nan 0.000 0.565 319 Y N 1.381 121.594 120.300 -0.146 0.000 2.729 319 Y HA 0.339 4.891 4.550 0.003 0.000 0.331 319 Y C 1.049 176.763 175.900 -0.310 0.000 1.208 319 Y CA 0.540 58.166 58.100 -0.790 0.000 1.521 319 Y CB 0.150 38.107 38.460 -0.837 0.000 1.233 319 Y HN 0.307 nan 8.280 nan 0.000 0.539 320 G N 4.203 112.560 108.800 -0.738 0.000 3.033 320 G HA2 -0.187 3.775 3.960 0.003 0.000 0.196 320 G HA3 -0.187 3.775 3.960 0.003 0.000 0.196 320 G C -0.244 174.549 174.900 -0.178 0.000 1.078 320 G CA -0.164 44.611 45.100 -0.543 0.000 0.805 320 G HN 0.595 nan 8.290 nan 0.000 0.472 321 L N 3.605 124.820 121.223 -0.015 0.000 2.395 321 L HA 0.391 4.733 4.340 0.003 0.000 0.268 321 L C 1.530 178.469 176.870 0.115 0.000 1.223 321 L CA 0.378 55.246 54.840 0.047 0.000 1.093 321 L CB 0.785 42.883 42.059 0.064 0.000 1.349 321 L HN 0.374 nan 8.230 nan 0.000 0.427 322 S N -1.141 114.611 115.700 0.086 0.000 2.556 322 S HA 0.052 4.523 4.470 0.003 0.000 0.216 322 S C 1.176 175.879 174.600 0.171 0.000 0.970 322 S CA -0.312 57.989 58.200 0.168 0.000 0.912 322 S CB 0.110 63.403 63.200 0.154 0.000 0.790 322 S HN 0.619 nan 8.310 nan 0.000 0.504 323 N N 0.572 119.314 118.700 0.071 0.000 2.257 323 N HA 0.218 4.960 4.740 0.003 0.000 0.200 323 N C -0.000 175.489 175.510 -0.034 0.000 1.163 323 N CA -0.120 52.925 53.050 -0.008 0.000 0.891 323 N CB 0.125 38.572 38.487 -0.067 0.000 1.067 323 N HN 0.314 nan 8.380 nan 0.000 0.497 324 L N 2.170 123.388 121.223 -0.007 0.000 2.593 324 L HA -0.054 4.288 4.340 0.003 0.000 0.287 324 L C 1.086 177.935 176.870 -0.036 0.000 1.243 324 L CA 1.025 55.836 54.840 -0.049 0.000 0.890 324 L CB 0.402 42.463 42.059 0.004 0.000 1.134 324 L HN 0.071 nan 8.230 nan 0.000 0.502 325 R N 3.460 123.889 120.500 -0.118 0.000 2.517 325 R HA 0.143 4.485 4.340 0.003 0.000 0.265 325 R C -1.101 175.244 176.300 0.075 0.000 0.921 325 R CA -0.209 55.864 56.100 -0.045 0.000 1.054 325 R CB 0.670 30.896 30.300 -0.123 0.000 1.340 325 R HN 0.634 nan 8.270 nan 0.000 0.551 326 Y N 0.913 121.157 120.300 -0.094 0.000 2.315 326 Y HA 0.471 5.022 4.550 0.003 0.000 0.324 326 Y C -1.981 173.929 175.900 0.016 0.000 1.062 326 Y CA -1.397 56.703 58.100 0.001 0.000 1.159 326 Y CB 1.301 39.773 38.460 0.020 0.000 1.145 326 Y HN -0.135 nan 8.280 nan 0.000 0.442 327 L N 5.425 126.429 121.223 -0.364 0.000 2.362 327 L HA 0.719 5.060 4.340 0.003 0.000 0.275 327 L C -1.080 175.535 176.870 -0.425 0.000 0.998 327 L CA -0.246 54.381 54.840 -0.355 0.000 0.820 327 L CB 2.144 44.106 42.059 -0.163 0.000 1.270 327 L HN 0.608 nan 8.230 nan 0.000 0.415 328 S N 5.283 120.752 115.700 -0.386 0.000 2.596 328 S HA 0.574 5.046 4.470 0.003 0.000 0.318 328 S C -0.203 174.327 174.600 -0.116 0.000 1.097 328 S CA -0.570 57.489 58.200 -0.235 0.000 1.080 328 S CB 0.524 63.587 63.200 -0.228 0.000 0.991 328 S HN 0.700 nan 8.310 nan 0.000 0.471 329 L N 4.257 125.425 121.223 -0.092 0.000 3.141 329 L HA 0.386 4.727 4.340 0.003 0.000 0.267 329 L C 0.592 177.350 176.870 -0.186 0.000 1.281 329 L CA -0.287 54.461 54.840 -0.153 0.000 1.037 329 L CB 0.174 42.169 42.059 -0.108 0.000 1.407 329 L HN 0.579 nan 8.230 nan 0.000 0.566 330 K N 1.729 122.033 120.400 -0.159 0.000 2.402 330 K HA -0.059 4.262 4.320 0.003 0.000 0.279 330 K C 0.703 177.040 176.600 -0.438 0.000 1.082 330 K CA -0.002 56.150 56.287 -0.225 0.000 1.080 330 K CB 0.157 32.564 32.500 -0.155 0.000 0.899 330 K HN 0.088 nan 8.250 nan 0.000 0.469 331 R N 2.648 122.921 120.500 -0.378 0.000 3.525 331 R HA -0.233 4.109 4.340 0.003 0.000 0.276 331 R C -0.262 175.823 176.300 -0.358 0.000 1.116 331 R CA 1.085 56.940 56.100 -0.409 0.000 0.745 331 R CB -1.925 27.909 30.300 -0.776 0.000 1.185 331 R HN 0.689 nan 8.270 nan 0.000 0.454 332 A N -0.559 122.037 122.820 -0.373 0.000 2.337 332 A HA 0.401 4.723 4.320 0.003 0.000 0.227 332 A C -0.104 177.136 177.584 -0.574 0.000 1.259 332 A CA 0.148 51.901 52.037 -0.473 0.000 0.870 332 A CB 0.047 18.711 19.000 -0.559 0.000 0.927 332 A HN 0.211 nan 8.150 nan 0.000 0.497 333 F N -1.696 118.229 119.950 -0.041 0.000 2.639 333 F HA 0.512 5.040 4.527 0.003 0.000 0.339 333 F C 1.049 176.825 175.800 -0.040 0.000 1.071 333 F CA -0.712 57.271 58.000 -0.029 0.000 0.994 333 F CB 0.851 39.844 39.000 -0.011 0.000 1.341 333 F HN -0.088 nan 8.300 nan 0.000 0.498 334 T N -0.288 114.378 114.554 0.186 0.000 2.889 334 T HA 0.372 4.723 4.350 0.003 0.000 0.340 334 T C -0.226 174.526 174.700 0.086 0.000 1.145 334 T CA -0.450 61.696 62.100 0.076 0.000 0.986 334 T CB 0.505 69.374 68.868 0.000 0.000 1.461 334 T HN 0.198 nan 8.240 nan 0.000 0.541 343 H N 1.518 120.582 119.070 -0.010 0.000 2.463 343 H HA 0.854 5.411 4.556 0.003 0.000 0.332 343 H C -2.620 172.682 175.328 -0.044 0.000 1.127 343 H CA -2.229 53.807 56.048 -0.020 0.000 1.238 343 H CB 0.168 29.917 29.762 -0.023 0.000 1.478 343 H HN 0.252 nan 8.280 nan 0.000 0.499 344 P HA 0.249 nan 4.420 nan 0.000 0.284 344 P C -0.960 176.273 177.300 -0.112 0.000 1.258 344 P CA -0.601 62.505 63.100 0.010 0.000 0.824 344 P CB 1.564 33.247 31.700 -0.027 0.000 1.038 345 N N 1.259 119.854 118.700 -0.175 0.000 2.636 345 N HA 0.235 4.976 4.740 0.003 0.000 0.261 345 N C -1.136 174.224 175.510 -0.250 0.000 1.195 345 N CA -0.789 52.103 53.050 -0.264 0.000 0.902 345 N CB 1.265 39.659 38.487 -0.155 0.000 1.627 345 N HN 0.376 nan 8.380 nan 0.000 0.491 346 I N -1.027 119.367 120.570 -0.294 0.000 2.392 346 I HA 0.573 4.744 4.170 0.003 0.000 0.295 346 I C -0.551 175.439 176.117 -0.211 0.000 0.985 346 I CA -0.778 60.395 61.300 -0.210 0.000 1.221 346 I CB 1.073 38.950 38.000 -0.206 0.000 1.366 346 I HN 0.466 nan 8.210 nan 0.000 0.467 347 D N 3.587 123.882 120.400 -0.176 0.000 2.478 347 D HA 0.296 4.938 4.640 0.003 0.000 0.263 347 D C -0.565 175.579 176.300 -0.259 0.000 1.153 347 D CA -0.643 53.246 54.000 -0.184 0.000 1.038 347 D CB 0.450 41.188 40.800 -0.103 0.000 1.120 347 D HN 0.441 nan 8.370 nan 0.000 0.564 348 D N -0.805 119.428 120.400 -0.277 0.000 2.362 348 D HA 0.016 4.657 4.640 0.003 0.000 0.238 348 D C 0.304 176.431 176.300 -0.287 0.000 1.212 348 D CA 0.149 53.884 54.000 -0.441 0.000 0.902 348 D CB 0.004 40.433 40.800 -0.619 0.000 1.180 348 D HN 0.395 nan 8.370 nan 0.000 0.445 349 F N -0.323 119.493 119.950 -0.222 0.000 3.090 349 F HA -0.247 4.282 4.527 0.003 0.000 0.282 349 F C 1.490 177.128 175.800 -0.270 0.000 0.923 349 F CA 0.355 58.211 58.000 -0.239 0.000 0.977 349 F CB -2.499 36.372 39.000 -0.215 0.000 0.954 349 F HN 0.116 nan 8.300 nan 0.000 0.695 350 S N -1.641 113.925 115.700 -0.223 0.000 2.503 350 S HA 0.198 4.669 4.470 0.003 0.000 0.215 350 S C 1.053 175.508 174.600 -0.242 0.000 1.003 350 S CA 0.127 58.185 58.200 -0.235 0.000 0.910 350 S CB 0.025 62.968 63.200 -0.429 0.000 0.790 350 S HN 0.331 nan 8.310 nan 0.000 0.514 351 F N 2.139 122.027 119.950 -0.103 0.000 2.661 351 F HA 0.226 4.755 4.527 0.003 0.000 0.306 351 F C 2.002 177.729 175.800 -0.122 0.000 1.094 351 F CA -1.037 56.882 58.000 -0.135 0.000 1.254 351 F CB -0.630 38.305 39.000 -0.109 0.000 1.040 351 F HN 0.223 nan 8.300 nan 0.000 0.562 352 Q N -0.730 118.992 119.800 -0.129 0.000 2.308 352 Q HA -0.228 4.113 4.340 0.003 0.000 0.209 352 Q C 1.145 177.013 176.000 -0.220 0.000 0.985 352 Q CA 2.259 57.900 55.803 -0.270 0.000 0.881 352 Q CB -0.834 27.575 28.738 -0.548 0.000 0.917 352 Q HN 0.583 nan 8.270 nan 0.000 0.443 353 W N 1.195 122.615 121.300 0.199 0.000 2.576 353 W HA 0.197 4.859 4.660 0.003 0.000 0.270 353 W C 0.600 177.212 176.519 0.156 0.000 1.255 353 W CA -0.470 56.995 57.345 0.201 0.000 1.314 353 W CB 0.155 29.789 29.460 0.290 0.000 1.101 353 W HN -0.047 nan 8.180 nan 0.000 0.595 354 L N 2.940 124.359 121.223 0.327 0.000 2.672 354 L HA 0.111 4.452 4.340 0.003 0.000 0.238 354 L C 1.335 178.259 176.870 0.091 0.000 1.392 354 L CA 0.070 55.027 54.840 0.195 0.000 1.238 354 L CB -0.722 41.397 42.059 0.099 0.000 1.548 354 L HN 0.073 nan 8.230 nan 0.000 0.423 355 K N -1.686 118.749 120.400 0.059 0.000 2.515 355 K HA -0.127 4.195 4.320 0.003 0.000 0.196 355 K C 0.713 177.133 176.600 -0.300 0.000 1.038 355 K CA 1.284 57.495 56.287 -0.127 0.000 0.967 355 K CB -0.181 32.198 32.500 -0.201 0.000 0.780 355 K HN 0.302 nan 8.250 nan 0.000 0.483 356 Y N 0.215 120.532 120.300 0.029 0.000 2.481 356 Y HA 0.293 4.844 4.550 0.003 0.000 0.247 356 Y C 0.163 176.050 175.900 -0.021 0.000 1.151 356 Y CA -1.326 56.773 58.100 -0.001 0.000 1.238 356 Y CB 0.498 38.955 38.460 -0.006 0.000 1.179 356 Y HN 0.009 nan 8.280 nan 0.000 0.524 357 L N 2.053 123.325 121.223 0.080 0.000 2.456 357 L HA 0.101 4.443 4.340 0.003 0.000 0.272 357 L C 0.962 177.837 176.870 0.009 0.000 1.189 357 L CA 0.795 55.653 54.840 0.030 0.000 0.846 357 L CB 0.641 42.678 42.059 -0.036 0.000 1.111 357 L HN 0.443 nan 8.230 nan 0.000 0.475 358 E N 3.235 123.461 120.200 0.042 0.000 2.639 358 E HA 0.069 4.421 4.350 0.003 0.000 0.225 358 E C -0.742 175.900 176.600 0.070 0.000 0.921 358 E CA -0.260 56.132 56.400 -0.014 0.000 1.184 358 E CB 0.274 29.956 29.700 -0.031 0.000 1.160 358 E HN 0.549 nan 8.360 nan 0.000 0.547 359 Y N 1.304 121.632 120.300 0.046 0.000 2.317 359 Y HA 0.448 4.999 4.550 0.003 0.000 0.325 359 Y C -1.883 174.014 175.900 -0.006 0.000 1.066 359 Y CA -1.552 56.637 58.100 0.150 0.000 1.203 359 Y CB 1.516 40.208 38.460 0.388 0.000 1.127 359 Y HN 0.088 nan 8.280 nan 0.000 0.451 360 L N 7.337 128.566 121.223 0.010 0.000 2.325 360 L HA 0.553 4.895 4.340 0.003 0.000 0.281 360 L C -1.676 175.124 176.870 -0.116 0.000 1.004 360 L CA -0.405 54.385 54.840 -0.084 0.000 0.823 360 L CB 1.393 43.301 42.059 -0.251 0.000 1.236 360 L HN 0.745 nan 8.230 nan 0.000 0.415 361 N N 5.694 124.384 118.700 -0.017 0.000 2.342 361 N HA 0.477 5.219 4.740 0.003 0.000 0.293 361 N C -0.927 174.583 175.510 -0.001 0.000 1.026 361 N CA -0.270 52.777 53.050 -0.005 0.000 0.857 361 N CB 1.701 40.272 38.487 0.140 0.000 1.256 361 N HN 0.787 nan 8.380 nan 0.000 0.484 362 M N 1.744 121.346 119.600 0.004 0.000 3.181 362 M HA 0.193 4.675 4.480 0.003 0.000 0.422 362 M C -0.833 175.453 176.300 -0.024 0.000 1.481 362 M CA -0.595 54.725 55.300 0.034 0.000 0.783 362 M CB 0.535 33.216 32.600 0.135 0.000 1.437 362 M HN 0.282 nan 8.290 nan 0.000 0.505 363 D N 1.134 121.508 120.400 -0.044 0.000 2.369 363 D HA 0.010 4.652 4.640 0.003 0.000 0.241 363 D C 0.372 176.624 176.300 -0.080 0.000 1.271 363 D CA 0.572 54.537 54.000 -0.059 0.000 0.942 363 D CB 0.458 41.237 40.800 -0.035 0.000 1.129 363 D HN 0.180 nan 8.370 nan 0.000 0.476 364 D N 0.689 121.049 120.400 -0.067 0.000 2.904 364 D HA -0.169 4.473 4.640 0.003 0.000 0.231 364 D C -0.798 175.472 176.300 -0.050 0.000 1.185 364 D CA 0.764 54.724 54.000 -0.067 0.000 0.783 364 D CB -0.646 40.078 40.800 -0.126 0.000 0.961 364 D HN 0.302 nan 8.370 nan 0.000 0.409 365 N N 0.189 118.878 118.700 -0.018 0.000 3.039 365 N HA 0.264 5.006 4.740 0.003 0.000 0.257 365 N C 0.258 175.782 175.510 0.023 0.000 1.497 365 N CA -0.583 52.494 53.050 0.044 0.000 0.861 365 N CB 0.684 39.264 38.487 0.155 0.000 1.479 365 N HN 0.089 nan 8.380 nan 0.000 0.547 366 N N -0.170 118.557 118.700 0.044 0.000 2.187 366 N HA 0.266 5.008 4.740 0.003 0.000 0.212 366 N C -0.420 175.078 175.510 -0.020 0.000 1.152 366 N CA -0.215 52.848 53.050 0.022 0.000 0.872 366 N CB 0.617 39.133 38.487 0.048 0.000 1.025 366 N HN 0.376 nan 8.380 nan 0.000 0.514 367 I N 1.953 122.484 120.570 -0.065 0.000 2.989 367 I HA -0.105 4.066 4.170 0.003 0.000 0.311 367 I C -1.360 174.790 176.117 0.054 0.000 1.221 367 I CA -0.810 60.448 61.300 -0.070 0.000 1.449 367 I CB 0.259 38.258 38.000 -0.001 0.000 1.325 367 I HN -0.036 nan 8.210 nan 0.000 0.557 368 P HA -0.117 nan 4.420 nan 0.000 0.210 368 P C 0.143 177.420 177.300 -0.039 0.000 1.185 368 P CA 1.198 64.194 63.100 -0.174 0.000 0.924 368 P CB 0.263 31.728 31.700 -0.392 0.000 0.786 369 S N -4.128 111.506 115.700 -0.110 0.000 2.661 369 S HA 0.404 4.876 4.470 0.003 0.000 0.268 369 S C -0.980 173.403 174.600 -0.361 0.000 1.162 369 S CA -0.387 57.611 58.200 -0.335 0.000 0.817 369 S CB 0.202 63.213 63.200 -0.315 0.000 1.141 369 S HN 0.130 nan 8.310 nan 0.000 0.477 370 T N 0.607 114.840 114.554 -0.535 0.000 2.828 370 T HA 0.605 4.957 4.350 0.003 0.000 0.290 370 T C -0.228 174.272 174.700 -0.333 0.000 1.019 370 T CA -0.383 61.481 62.100 -0.394 0.000 1.031 370 T CB 0.416 69.037 68.868 -0.410 0.000 1.001 370 T HN 0.670 nan 8.240 nan 0.000 0.531 371 K N -0.029 120.173 120.400 -0.331 0.000 2.346 371 K HA 0.454 4.775 4.320 0.003 0.000 0.238 371 K C 1.550 177.965 176.600 -0.309 0.000 1.039 371 K CA -0.638 55.470 56.287 -0.299 0.000 0.861 371 K CB 1.567 33.887 32.500 -0.300 0.000 1.278 371 K HN 0.704 nan 8.250 nan 0.000 0.460 372 S N -0.173 115.360 115.700 -0.279 0.000 2.442 372 S HA -0.099 4.373 4.470 0.003 0.000 0.236 372 S C 0.828 175.225 174.600 -0.339 0.000 1.007 372 S CA 0.950 58.984 58.200 -0.277 0.000 0.965 372 S CB -0.161 62.907 63.200 -0.220 0.000 0.773 372 S HN 0.533 nan 8.310 nan 0.000 0.504 373 N N 0.225 118.663 118.700 -0.437 0.000 2.299 373 N HA 0.198 4.939 4.740 0.003 0.000 0.246 373 N C 0.153 175.303 175.510 -0.601 0.000 1.254 373 N CA 0.217 52.909 53.050 -0.596 0.000 0.879 373 N CB 0.762 38.605 38.487 -1.073 0.000 1.214 373 N HN 0.304 nan 8.380 nan 0.000 0.510 374 T N 0.380 114.621 114.554 -0.522 0.000 2.529 374 T HA -0.098 4.253 4.350 0.003 0.000 0.261 374 T C 1.142 175.551 174.700 -0.485 0.000 1.110 374 T CA 1.328 63.058 62.100 -0.616 0.000 1.192 374 T CB -0.299 68.051 68.868 -0.864 0.000 0.864 374 T HN 0.161 nan 8.240 nan 0.000 0.407 375 F N 2.038 122.000 119.950 0.019 0.000 2.802 375 F HA 0.172 4.701 4.527 0.003 0.000 0.302 375 F C 1.299 177.124 175.800 0.041 0.000 1.211 375 F CA -0.255 57.813 58.000 0.113 0.000 1.431 375 F CB -1.599 37.462 39.000 0.102 0.000 1.114 375 F HN -0.042 nan 8.300 nan 0.000 0.567 376 T N 0.427 114.998 114.554 0.028 0.000 2.867 376 T HA 0.375 4.726 4.350 0.003 0.000 0.297 376 T C 1.248 176.013 174.700 0.108 0.000 0.989 376 T CA 1.083 63.208 62.100 0.041 0.000 1.159 376 T CB 0.596 69.422 68.868 -0.071 0.000 0.928 376 T HN 0.623 nan 8.240 nan 0.000 0.538 377 G N 2.977 111.840 108.800 0.105 0.000 2.491 377 G HA2 -0.191 3.771 3.960 0.003 0.000 0.203 377 G HA3 -0.191 3.771 3.960 0.003 0.000 0.203 377 G C 0.181 175.111 174.900 0.050 0.000 1.052 377 G CA -0.726 44.410 45.100 0.061 0.000 0.675 377 G HN 0.675 nan 8.290 nan 0.000 0.504 378 L N 2.972 124.244 121.223 0.082 0.000 2.617 378 L HA 0.322 4.664 4.340 0.003 0.000 0.282 378 L C 1.801 178.676 176.870 0.009 0.000 1.174 378 L CA 0.098 54.955 54.840 0.029 0.000 1.016 378 L CB 0.715 42.787 42.059 0.022 0.000 1.337 378 L HN 0.348 nan 8.230 nan 0.000 0.460 379 V N -2.151 117.748 119.914 -0.025 0.000 3.514 379 V HA 0.156 4.278 4.120 0.003 0.000 0.301 379 V C 1.245 177.305 176.094 -0.057 0.000 1.346 379 V CA 0.434 62.719 62.300 -0.024 0.000 1.156 379 V CB 0.340 32.135 31.823 -0.047 0.000 1.029 379 V HN 0.681 nan 8.190 nan 0.000 0.428 380 S N -0.391 115.266 115.700 -0.072 0.000 2.604 380 S HA 0.413 4.885 4.470 0.003 0.000 0.235 380 S C 0.598 175.139 174.600 -0.099 0.000 1.043 380 S CA -0.393 57.763 58.200 -0.074 0.000 0.997 380 S CB 0.258 63.426 63.200 -0.052 0.000 0.956 380 S HN 0.448 nan 8.310 nan 0.000 0.535 381 L N 4.051 125.212 121.223 -0.102 0.000 2.700 381 L HA -0.024 4.318 4.340 0.003 0.000 0.276 381 L C 1.322 178.068 176.870 -0.208 0.000 1.200 381 L CA 0.675 55.426 54.840 -0.148 0.000 0.951 381 L CB 0.443 42.414 42.059 -0.147 0.000 1.226 381 L HN 0.340 nan 8.230 nan 0.000 0.489 382 K N 3.652 123.843 120.400 -0.347 0.000 2.464 382 K HA 0.098 4.419 4.320 0.003 0.000 0.206 382 K C -0.508 175.789 176.600 -0.505 0.000 1.186 382 K CA -0.014 55.980 56.287 -0.488 0.000 0.990 382 K CB 0.593 32.677 32.500 -0.694 0.000 1.003 382 K HN 0.410 nan 8.250 nan 0.000 0.562 383 Y N 1.560 121.786 120.300 -0.124 0.000 2.329 383 Y HA 0.494 5.046 4.550 0.003 0.000 0.328 383 Y C -1.040 174.667 175.900 -0.323 0.000 0.992 383 Y CA -1.426 56.542 58.100 -0.221 0.000 1.151 383 Y CB 2.050 40.358 38.460 -0.254 0.000 1.150 383 Y HN -0.105 nan 8.280 nan 0.000 0.450 384 L N 2.961 124.087 121.223 -0.161 0.000 2.410 384 L HA 0.721 5.063 4.340 0.003 0.000 0.270 384 L C -0.850 175.912 176.870 -0.179 0.000 0.983 384 L CA -0.270 54.432 54.840 -0.230 0.000 0.822 384 L CB 2.219 44.109 42.059 -0.282 0.000 1.285 384 L HN 0.502 nan 8.230 nan 0.000 0.409 385 S N 5.103 120.702 115.700 -0.168 0.000 2.502 385 S HA 0.753 5.224 4.470 0.003 0.000 0.304 385 S C -0.626 173.956 174.600 -0.029 0.000 1.097 385 S CA -0.509 57.636 58.200 -0.092 0.000 1.045 385 S CB 0.772 63.907 63.200 -0.109 0.000 1.019 385 S HN 0.667 nan 8.310 nan 0.000 0.481 386 L N 3.637 124.876 121.223 0.027 0.000 3.025 386 L HA 0.343 4.685 4.340 0.003 0.000 0.307 386 L C 0.255 177.137 176.870 0.020 0.000 1.303 386 L CA -0.351 54.506 54.840 0.027 0.000 0.817 386 L CB 1.003 43.198 42.059 0.226 0.000 1.227 386 L HN 0.599 nan 8.230 nan 0.000 0.571 387 S N 1.687 117.393 115.700 0.010 0.000 2.481 387 S HA 0.167 4.639 4.470 0.003 0.000 0.276 387 S C 0.778 175.378 174.600 -0.001 0.000 1.247 387 S CA 0.027 58.245 58.200 0.029 0.000 1.053 387 S CB 0.214 63.430 63.200 0.026 0.000 0.925 387 S HN 0.515 nan 8.310 nan 0.000 0.491 388 K N 3.341 123.758 120.400 0.028 0.000 3.148 388 K HA -0.156 4.165 4.320 0.003 0.000 0.267 388 K C -0.004 176.565 176.600 -0.051 0.000 0.996 388 K CA 1.201 57.505 56.287 0.028 0.000 0.737 388 K CB -1.738 30.782 32.500 0.033 0.000 1.308 388 K HN 0.761 nan 8.250 nan 0.000 0.470 389 T N -0.082 114.358 114.554 -0.189 0.000 2.990 389 T HA 0.210 4.562 4.350 0.003 0.000 0.250 389 T C -0.058 174.276 174.700 -0.610 0.000 1.041 389 T CA 0.370 62.205 62.100 -0.441 0.000 1.010 389 T CB 0.037 68.481 68.868 -0.706 0.000 1.003 389 T HN 0.232 nan 8.240 nan 0.000 0.499 390 F N 1.142 121.148 119.950 0.095 0.000 2.561 390 F HA 0.484 5.013 4.527 0.003 0.000 0.321 390 F C 1.381 177.212 175.800 0.051 0.000 1.065 390 F CA -1.251 56.781 58.000 0.054 0.000 0.934 390 F CB 1.591 40.624 39.000 0.054 0.000 1.215 390 F HN -0.127 nan 8.300 nan 0.000 0.471 391 T N -4.385 110.294 114.554 0.208 0.000 2.987 391 T HA 0.092 4.444 4.350 0.003 0.000 0.248 391 T C 0.774 175.499 174.700 0.042 0.000 0.997 391 T CA 0.240 62.393 62.100 0.088 0.000 1.013 391 T CB 0.008 68.897 68.868 0.035 0.000 1.077 391 T HN 0.319 nan 8.240 nan 0.000 0.483 392 S N 0.922 116.640 115.700 0.030 0.000 2.651 392 S HA 0.444 4.916 4.470 0.003 0.000 0.246 392 S C 0.313 174.888 174.600 -0.042 0.000 1.039 392 S CA -0.440 57.748 58.200 -0.021 0.000 1.013 392 S CB -0.037 63.127 63.200 -0.059 0.000 0.861 392 S HN 0.372 nan 8.310 nan 0.000 0.485 393 L N 1.790 123.010 121.223 -0.006 0.000 3.001 393 L HA 0.277 4.618 4.340 0.003 0.000 0.234 393 L C 1.499 178.363 176.870 -0.010 0.000 1.321 393 L CA -0.092 54.703 54.840 -0.074 0.000 1.138 393 L CB 0.036 42.011 42.059 -0.141 0.000 1.503 393 L HN 0.112 nan 8.230 nan 0.000 0.487 394 Q N -0.141 119.658 119.800 -0.002 0.000 2.156 394 Q HA -0.111 4.231 4.340 0.003 0.000 0.211 394 Q C 0.237 176.239 176.000 0.004 0.000 0.995 394 Q CA 1.408 57.223 55.803 0.020 0.000 0.877 394 Q CB -0.039 28.699 28.738 -0.001 0.000 0.920 394 Q HN 0.386 nan 8.270 nan 0.000 0.416 395 T N -0.082 114.448 114.554 -0.040 0.000 2.848 395 T HA 0.505 4.857 4.350 0.003 0.000 0.285 395 T C -0.717 173.923 174.700 -0.099 0.000 0.995 395 T CA -0.603 61.462 62.100 -0.058 0.000 0.970 395 T CB 0.959 69.786 68.868 -0.068 0.000 0.976 395 T HN 0.026 nan 8.240 nan 0.000 0.441 396 L N 4.530 125.697 121.223 -0.093 0.000 2.325 396 L HA 0.361 4.703 4.340 0.003 0.000 0.284 396 L C 1.220 177.986 176.870 -0.174 0.000 1.089 396 L CA -0.477 54.277 54.840 -0.143 0.000 0.836 396 L CB 0.455 42.463 42.059 -0.085 0.000 1.184 396 L HN 0.761 nan 8.230 nan 0.000 0.444 397 T N -1.451 112.987 114.554 -0.192 0.000 2.936 397 T HA 0.177 4.528 4.350 0.003 0.000 0.282 397 T C 1.112 175.743 174.700 -0.115 0.000 1.003 397 T CA -0.910 61.101 62.100 -0.148 0.000 1.005 397 T CB 1.104 69.894 68.868 -0.129 0.000 1.097 397 T HN 0.598 nan 8.240 nan 0.000 0.532 398 N N 0.060 118.724 118.700 -0.059 0.000 2.573 398 N HA -0.096 4.645 4.740 0.003 0.000 0.187 398 N C 0.700 176.360 175.510 0.249 0.000 1.107 398 N CA 0.508 53.577 53.050 0.032 0.000 0.918 398 N CB -0.209 38.269 38.487 -0.016 0.000 0.966 398 N HN 0.812 nan 8.380 nan 0.000 0.448 399 E N -0.551 119.706 120.200 0.094 0.000 2.538 399 E HA 0.113 4.465 4.350 0.003 0.000 0.207 399 E C 0.428 176.968 176.600 -0.101 0.000 1.002 399 E CA -0.084 56.348 56.400 0.054 0.000 0.952 399 E CB 0.392 30.077 29.700 -0.025 0.000 1.031 399 E HN 0.317 nan 8.360 nan 0.000 0.476 400 T N 0.652 115.102 114.554 -0.174 0.000 2.643 400 T HA -0.058 4.293 4.350 0.003 0.000 0.256 400 T C 0.905 175.340 174.700 -0.442 0.000 1.061 400 T CA 0.947 62.769 62.100 -0.464 0.000 1.163 400 T CB -0.167 68.201 68.868 -0.834 0.000 0.865 400 T HN 0.105 nan 8.240 nan 0.000 0.407 401 F N 1.549 121.572 119.950 0.122 0.000 2.696 401 F HA 0.310 4.839 4.527 0.003 0.000 0.296 401 F C 1.686 177.484 175.800 -0.004 0.000 1.181 401 F CA -0.851 57.255 58.000 0.177 0.000 1.411 401 F CB -0.987 38.202 39.000 0.315 0.000 1.014 401 F HN -0.046 nan 8.300 nan 0.000 0.512 402 V N -0.548 119.207 119.914 -0.266 0.000 2.407 402 V HA -0.256 3.866 4.120 0.003 0.000 0.248 402 V C 2.128 177.904 176.094 -0.529 0.000 1.055 402 V CA 2.493 64.198 62.300 -0.992 0.000 1.049 402 V CB -0.305 30.964 31.823 -0.923 0.000 0.662 402 V HN 0.422 nan 8.190 nan 0.000 0.455 403 S N 0.894 116.467 115.700 -0.212 0.000 2.374 403 S HA -0.134 4.338 4.470 0.003 0.000 0.227 403 S C 1.501 176.135 174.600 0.055 0.000 1.037 403 S CA 1.942 60.102 58.200 -0.068 0.000 1.024 403 S CB -0.549 62.660 63.200 0.014 0.000 0.861 403 S HN 0.629 nan 8.310 nan 0.000 0.456 404 L N 1.362 122.679 121.223 0.156 0.000 2.713 404 L HA 0.168 4.509 4.340 0.003 0.000 0.245 404 L C 2.126 179.024 176.870 0.046 0.000 1.169 404 L CA -0.061 54.857 54.840 0.131 0.000 0.962 404 L CB -0.774 41.381 42.059 0.160 0.000 1.161 404 L HN 0.252 nan 8.230 nan 0.000 0.427 405 A N -0.061 122.702 122.820 -0.095 0.000 1.858 405 A HA -0.191 4.131 4.320 0.003 0.000 0.216 405 A C 1.832 179.259 177.584 -0.263 0.000 1.190 405 A CA 1.328 53.237 52.037 -0.213 0.000 0.617 405 A CB -0.470 18.200 19.000 -0.551 0.000 0.827 405 A HN 0.494 nan 8.150 nan 0.000 0.443 406 H N 0.033 119.131 119.070 0.046 0.000 2.538 406 H HA 0.264 4.822 4.556 0.003 0.000 0.286 406 H C -0.413 174.923 175.328 0.014 0.000 1.035 406 H CA 0.338 56.405 56.048 0.032 0.000 1.169 406 H CB -0.163 29.608 29.762 0.014 0.000 1.417 406 H HN 0.326 nan 8.280 nan 0.000 0.567 407 S N 3.565 119.306 115.700 0.069 0.000 2.429 407 S HA 0.185 4.656 4.470 0.003 0.000 0.302 407 S C -2.316 172.280 174.600 -0.007 0.000 1.115 407 S CA -1.397 56.815 58.200 0.021 0.000 1.095 407 S CB 2.014 65.213 63.200 -0.002 0.000 0.987 407 S HN 0.145 nan 8.310 nan 0.000 0.474 408 P HA 0.070 nan 4.420 nan 0.000 0.238 408 P C -0.640 176.607 177.300 -0.090 0.000 1.729 408 P CA 0.021 63.093 63.100 -0.047 0.000 1.055 408 P CB -0.136 31.530 31.700 -0.056 0.000 1.980 409 L N 2.860 124.040 121.223 -0.072 0.000 2.319 409 L HA 0.080 4.422 4.340 0.003 0.000 0.280 409 L C 1.122 177.945 176.870 -0.077 0.000 1.099 409 L CA -0.399 54.383 54.840 -0.097 0.000 0.828 409 L CB 1.050 43.056 42.059 -0.089 0.000 1.150 409 L HN 0.127 nan 8.230 nan 0.000 0.442 410 L N 2.320 123.499 121.223 -0.075 0.000 2.577 410 L HA 0.186 4.527 4.340 0.003 0.000 0.225 410 L C 0.771 177.638 176.870 -0.004 0.000 1.053 410 L CA 0.642 55.466 54.840 -0.026 0.000 0.866 410 L CB -0.095 41.971 42.059 0.012 0.000 1.132 410 L HN 0.498 nan 8.230 nan 0.000 0.486 411 T N 0.287 114.856 114.554 0.025 0.000 2.829 411 T HA 0.700 5.052 4.350 0.003 0.000 0.280 411 T C -0.911 173.748 174.700 -0.068 0.000 0.999 411 T CA -0.295 61.803 62.100 -0.003 0.000 0.983 411 T CB 2.512 71.407 68.868 0.044 0.000 0.968 411 T HN -0.118 nan 8.240 nan 0.000 0.446 412 L N 3.150 124.320 121.223 -0.088 0.000 2.620 412 L HA 0.433 4.775 4.340 0.003 0.000 0.261 412 L C -1.164 175.677 176.870 -0.048 0.000 0.978 412 L CA -0.472 54.306 54.840 -0.102 0.000 0.897 412 L CB 1.441 43.392 42.059 -0.179 0.000 1.207 412 L HN 0.678 nan 8.230 nan 0.000 0.425 413 N N 5.323 124.011 118.700 -0.020 0.000 2.422 413 N HA 0.374 5.116 4.740 0.003 0.000 0.266 413 N C -0.291 175.274 175.510 0.093 0.000 1.007 413 N CA -0.188 52.879 53.050 0.028 0.000 0.941 413 N CB 1.254 39.741 38.487 -0.000 0.000 1.115 413 N HN 0.781 nan 8.380 nan 0.000 0.492 414 L N 2.260 123.574 121.223 0.151 0.000 3.122 414 L HA 0.122 4.464 4.340 0.003 0.000 0.274 414 L C 0.711 177.706 176.870 0.208 0.000 1.222 414 L CA -0.277 54.701 54.840 0.230 0.000 1.028 414 L CB 0.198 42.445 42.059 0.313 0.000 1.386 414 L HN 0.519 nan 8.230 nan 0.000 0.578 415 T N -1.716 112.937 114.554 0.166 0.000 2.903 415 T HA 0.109 4.461 4.350 0.003 0.000 0.314 415 T C 0.553 175.320 174.700 0.111 0.000 1.078 415 T CA -0.241 61.951 62.100 0.152 0.000 1.114 415 T CB 0.559 69.516 68.868 0.149 0.000 0.987 415 T HN 0.304 nan 8.240 nan 0.000 0.548 416 K N 1.481 121.923 120.400 0.070 0.000 3.244 416 K HA -0.153 4.169 4.320 0.003 0.000 0.270 416 K C 0.021 176.660 176.600 0.065 0.000 1.016 416 K CA 0.529 56.823 56.287 0.011 0.000 0.754 416 K CB -1.530 30.984 32.500 0.024 0.000 1.326 416 K HN 0.642 nan 8.250 nan 0.000 0.465 417 N N -0.347 118.415 118.700 0.104 0.000 2.143 417 N HA 0.057 4.799 4.740 0.003 0.000 0.222 417 N C -0.393 175.310 175.510 0.322 0.000 1.264 417 N CA 0.123 53.327 53.050 0.256 0.000 0.897 417 N CB 0.412 39.093 38.487 0.325 0.000 1.092 417 N HN 0.464 nan 8.380 nan 0.000 0.516 418 H N -0.441 118.704 119.070 0.124 0.000 3.237 418 H HA -0.103 4.454 4.556 0.003 0.000 0.231 418 H C -0.155 175.228 175.328 0.093 0.000 1.148 418 H CA 0.477 56.583 56.048 0.098 0.000 1.155 418 H CB -2.011 27.799 29.762 0.080 0.000 1.210 418 H HN 0.216 nan 8.280 nan 0.000 0.317 419 I N 1.288 121.965 120.570 0.178 0.000 2.821 419 I HA -0.100 4.072 4.170 0.003 0.000 0.294 419 I C 1.361 177.546 176.117 0.113 0.000 1.210 419 I CA 1.437 62.823 61.300 0.142 0.000 1.430 419 I CB 0.555 38.654 38.000 0.165 0.000 1.356 419 I HN 0.416 nan 8.210 nan 0.000 0.563 420 S N 4.440 120.189 115.700 0.081 0.000 2.559 420 S HA 0.217 4.689 4.470 0.003 0.000 0.226 420 S C 0.277 174.895 174.600 0.029 0.000 1.030 420 S CA -0.410 57.827 58.200 0.062 0.000 0.956 420 S CB 0.500 63.733 63.200 0.056 0.000 0.900 420 S HN 0.687 nan 8.310 nan 0.000 0.510 421 K N 1.047 121.454 120.400 0.011 0.000 2.561 421 K HA 0.418 4.740 4.320 0.003 0.000 0.254 421 K C -2.269 174.300 176.600 -0.051 0.000 0.942 421 K CA -0.556 55.715 56.287 -0.026 0.000 0.818 421 K CB 1.512 33.986 32.500 -0.043 0.000 1.306 421 K HN 0.085 nan 8.250 nan 0.000 0.435 422 I N 3.317 123.836 120.570 -0.086 0.000 2.382 422 I HA 0.337 4.509 4.170 0.003 0.000 0.285 422 I C 0.677 176.675 176.117 -0.199 0.000 1.007 422 I CA -0.879 60.333 61.300 -0.147 0.000 1.142 422 I CB 0.515 38.417 38.000 -0.165 0.000 1.289 422 I HN 0.681 nan 8.210 nan 0.000 0.453 423 A N 5.839 128.547 122.820 -0.186 0.000 2.310 423 A HA 0.428 4.749 4.320 0.003 0.000 0.260 423 A C 0.444 177.899 177.584 -0.214 0.000 1.112 423 A CA -0.336 51.595 52.037 -0.178 0.000 0.804 423 A CB 0.030 18.945 19.000 -0.141 0.000 1.081 423 A HN 0.691 nan 8.150 nan 0.000 0.499 424 N N -0.107 118.483 118.700 -0.183 0.000 2.395 424 N HA 0.343 5.085 4.740 0.003 0.000 0.246 424 N C 1.189 176.586 175.510 -0.188 0.000 1.246 424 N CA 1.603 54.543 53.050 -0.184 0.000 0.879 424 N CB 0.149 38.550 38.487 -0.143 0.000 1.098 424 N HN 1.265 nan 8.380 nan 0.000 0.444 425 G N 0.454 109.141 108.800 -0.189 0.000 2.233 425 G HA2 -0.355 3.607 3.960 0.003 0.000 0.270 425 G HA3 -0.355 3.607 3.960 0.003 0.000 0.270 425 G C 1.034 175.786 174.900 -0.248 0.000 1.011 425 G CA 1.089 46.060 45.100 -0.214 0.000 0.762 425 G HN 0.601 nan 8.290 nan 0.000 0.511 426 T N -0.489 113.898 114.554 -0.277 0.000 2.897 426 T HA -0.012 4.340 4.350 0.003 0.000 0.271 426 T C 1.454 175.967 174.700 -0.311 0.000 1.084 426 T CA 1.611 63.499 62.100 -0.353 0.000 1.123 426 T CB -0.215 68.292 68.868 -0.602 0.000 0.865 426 T HN 0.416 nan 8.240 nan 0.000 0.496 427 F N 0.383 120.365 119.950 0.052 0.000 2.706 427 F HA 0.259 4.788 4.527 0.003 0.000 0.313 427 F C 2.166 177.936 175.800 -0.050 0.000 1.096 427 F CA -0.596 57.453 58.000 0.082 0.000 1.219 427 F CB -0.403 38.657 39.000 0.098 0.000 1.051 427 F HN 0.067 nan 8.300 nan 0.000 0.568 428 S N -0.547 115.063 115.700 -0.150 0.000 2.423 428 S HA -0.289 4.183 4.470 0.003 0.000 0.238 428 S C 1.564 176.018 174.600 -0.243 0.000 1.028 428 S CA 1.702 59.715 58.200 -0.312 0.000 1.000 428 S CB -1.022 61.809 63.200 -0.615 0.000 0.797 428 S HN 0.595 nan 8.310 nan 0.000 0.487 429 W N 0.350 121.714 121.300 0.107 0.000 2.658 429 W HA 0.435 5.097 4.660 0.003 0.000 0.263 429 W C 0.487 177.039 176.519 0.055 0.000 1.274 429 W CA -0.785 56.595 57.345 0.059 0.000 1.343 429 W CB -0.400 29.092 29.460 0.053 0.000 1.106 429 W HN 0.170 nan 8.180 nan 0.000 0.615 430 L N 2.228 123.622 121.223 0.285 0.000 2.672 430 L HA 0.276 4.618 4.340 0.003 0.000 0.238 430 L C 1.899 178.825 176.870 0.092 0.000 1.392 430 L CA -0.025 54.909 54.840 0.157 0.000 1.238 430 L CB -0.883 41.239 42.059 0.105 0.000 1.548 430 L HN 0.125 nan 8.230 nan 0.000 0.423 431 G N 0.124 108.980 108.800 0.094 0.000 2.529 431 G HA2 -0.296 3.666 3.960 0.003 0.000 0.219 431 G HA3 -0.296 3.666 3.960 0.003 0.000 0.219 431 G C 1.204 176.128 174.900 0.040 0.000 1.177 431 G CA 0.431 45.569 45.100 0.063 0.000 0.773 431 G HN 0.557 nan 8.290 nan 0.000 0.573 432 Q N -0.464 119.353 119.800 0.028 0.000 2.365 432 Q HA 0.285 4.626 4.340 0.003 0.000 0.203 432 Q C 0.179 176.174 176.000 -0.007 0.000 0.929 432 Q CA -0.692 55.117 55.803 0.010 0.000 0.948 432 Q CB 0.197 28.935 28.738 0.001 0.000 1.043 432 Q HN 0.340 nan 8.270 nan 0.000 0.505 433 L N 1.152 122.367 121.223 -0.014 0.000 2.499 433 L HA -0.075 4.267 4.340 0.003 0.000 0.273 433 L C 0.816 177.670 176.870 -0.027 0.000 1.195 433 L CA 1.036 55.850 54.840 -0.043 0.000 0.882 433 L CB 0.423 42.430 42.059 -0.087 0.000 1.133 433 L HN 0.078 nan 8.230 nan 0.000 0.483 434 R N 4.298 124.785 120.500 -0.021 0.000 2.215 434 R HA 0.360 4.702 4.340 0.003 0.000 0.190 434 R C -0.220 176.109 176.300 0.048 0.000 0.968 434 R CA -0.005 56.109 56.100 0.024 0.000 1.122 434 R CB 0.334 30.625 30.300 -0.014 0.000 1.151 434 R HN 0.456 nan 8.270 nan 0.000 0.582 435 I N 2.846 123.420 120.570 0.006 0.000 2.359 435 I HA 0.291 4.462 4.170 0.003 0.000 0.284 435 I C -0.928 175.160 176.117 -0.049 0.000 1.018 435 I CA -0.509 60.797 61.300 0.009 0.000 1.173 435 I CB 1.861 39.867 38.000 0.009 0.000 1.326 435 I HN 0.022 nan 8.210 nan 0.000 0.462 436 L N 6.635 127.812 121.223 -0.076 0.000 2.346 436 L HA 0.640 4.982 4.340 0.003 0.000 0.276 436 L C -1.344 175.512 176.870 -0.022 0.000 1.006 436 L CA -0.324 54.444 54.840 -0.122 0.000 0.817 436 L CB 1.811 43.707 42.059 -0.272 0.000 1.272 436 L HN 0.434 nan 8.230 nan 0.000 0.421 437 D N 5.023 125.442 120.400 0.033 0.000 2.473 437 D HA 0.288 4.930 4.640 0.003 0.000 0.253 437 D C -0.628 175.797 176.300 0.209 0.000 1.233 437 D CA -0.168 53.929 54.000 0.161 0.000 0.908 437 D CB 1.474 42.359 40.800 0.142 0.000 1.170 437 D HN 0.576 nan 8.370 nan 0.000 0.558 438 L N 3.173 124.539 121.223 0.239 0.000 3.094 438 L HA 0.449 4.790 4.340 0.003 0.000 0.254 438 L C 1.255 178.250 176.870 0.209 0.000 1.298 438 L CA -0.613 54.376 54.840 0.248 0.000 1.050 438 L CB 0.976 43.217 42.059 0.303 0.000 1.420 438 L HN 0.316 nan 8.230 nan 0.000 0.548 439 G N -0.688 108.265 108.800 0.255 0.000 2.580 439 G HA2 0.417 4.378 3.960 0.003 0.000 0.278 439 G HA3 0.417 4.378 3.960 0.003 0.000 0.278 439 G C 0.525 175.547 174.900 0.204 0.000 1.212 439 G CA -0.651 44.564 45.100 0.191 0.000 0.939 439 G HN 0.312 nan 8.290 nan 0.000 0.513 440 L N 0.046 121.393 121.223 0.207 0.000 3.854 440 L HA -0.203 4.139 4.340 0.003 0.000 0.460 440 L C 0.224 177.135 176.870 0.068 0.000 1.228 440 L CA 0.149 55.069 54.840 0.134 0.000 0.760 440 L CB -1.556 40.549 42.059 0.076 0.000 1.597 440 L HN 0.508 nan 8.230 nan 0.000 0.852 441 N N -0.583 118.168 118.700 0.084 0.000 2.761 441 N HA 0.293 5.035 4.740 0.003 0.000 0.283 441 N C 0.347 175.894 175.510 0.061 0.000 1.377 441 N CA -0.664 52.417 53.050 0.052 0.000 0.791 441 N CB 1.469 40.020 38.487 0.108 0.000 1.540 441 N HN 0.070 nan 8.380 nan 0.000 0.539 442 E N 0.316 120.555 120.200 0.066 0.000 2.444 442 E HA 0.317 4.669 4.350 0.003 0.000 0.191 442 E C -0.213 176.441 176.600 0.090 0.000 1.041 442 E CA -0.213 56.237 56.400 0.083 0.000 0.883 442 E CB -0.318 29.443 29.700 0.102 0.000 1.024 442 E HN 0.430 nan 8.360 nan 0.000 0.470 443 I N 2.215 122.844 120.570 0.098 0.000 3.045 443 I HA -0.172 4.000 4.170 0.003 0.000 0.306 443 I C 0.564 176.740 176.117 0.099 0.000 1.232 443 I CA 1.180 62.538 61.300 0.096 0.000 1.415 443 I CB 0.122 38.193 38.000 0.118 0.000 1.364 443 I HN 0.132 nan 8.210 nan 0.000 0.538 444 E N 8.614 128.856 120.200 0.069 0.000 2.914 444 E HA 0.311 4.662 4.350 0.003 0.000 0.246 444 E C -0.833 175.758 176.600 -0.015 0.000 1.146 444 E CA -0.538 55.898 56.400 0.059 0.000 0.803 444 E CB 0.741 30.455 29.700 0.023 0.000 1.409 444 E HN 0.718 nan 8.360 nan 0.000 0.392 445 Q N 2.148 121.961 119.800 0.021 0.000 2.737 445 Q HA 0.392 4.734 4.340 0.003 0.000 0.307 445 Q C -1.633 174.381 176.000 0.023 0.000 0.905 445 Q CA -1.169 54.616 55.803 -0.031 0.000 0.753 445 Q CB 1.198 29.907 28.738 -0.049 0.000 1.463 445 Q HN 0.162 nan 8.270 nan 0.000 0.455 446 K N 1.915 122.304 120.400 -0.018 0.000 2.404 446 K HA 0.430 4.752 4.320 0.003 0.000 0.257 446 K C -0.660 175.904 176.600 -0.060 0.000 1.026 446 K CA -0.634 55.656 56.287 0.005 0.000 0.951 446 K CB 0.825 33.330 32.500 0.007 0.000 1.203 446 K HN 0.452 nan 8.250 nan 0.000 0.446 447 L N 2.587 123.769 121.223 -0.069 0.000 2.667 447 L HA -0.088 4.254 4.340 0.003 0.000 0.278 447 L C 0.424 177.192 176.870 -0.170 0.000 1.217 447 L CA 0.362 55.105 54.840 -0.160 0.000 0.935 447 L CB -0.046 41.931 42.059 -0.137 0.000 1.193 447 L HN 0.777 nan 8.230 nan 0.000 0.493 448 S N 0.532 116.117 115.700 -0.192 0.000 2.592 448 S HA 0.404 4.876 4.470 0.003 0.000 0.243 448 S C 1.211 175.726 174.600 -0.142 0.000 1.160 448 S CA -0.171 57.942 58.200 -0.144 0.000 1.145 448 S CB 0.988 64.118 63.200 -0.116 0.000 0.909 448 S HN 1.051 nan 8.310 nan 0.000 0.487 449 G N 2.181 110.885 108.800 -0.161 0.000 2.451 449 G HA2 -0.401 3.561 3.960 0.003 0.000 0.253 449 G HA3 -0.401 3.561 3.960 0.003 0.000 0.253 449 G C 1.185 176.038 174.900 -0.080 0.000 1.033 449 G CA 0.892 45.957 45.100 -0.059 0.000 0.633 449 G HN 0.518 nan 8.290 nan 0.000 0.537 450 Q N 0.498 120.201 119.800 -0.162 0.000 2.187 450 Q HA -0.014 4.328 4.340 0.003 0.000 0.199 450 Q C 2.453 178.302 176.000 -0.250 0.000 0.957 450 Q CA 1.525 57.234 55.803 -0.156 0.000 0.857 450 Q CB -0.267 28.386 28.738 -0.142 0.000 0.929 450 Q HN 0.852 nan 8.270 nan 0.000 0.453 451 E N -0.355 119.554 120.200 -0.484 0.000 2.331 451 E HA -0.196 4.156 4.350 0.003 0.000 0.199 451 E C 0.765 177.030 176.600 -0.558 0.000 1.008 451 E CA 0.826 56.823 56.400 -0.671 0.000 0.843 451 E CB -0.535 28.543 29.700 -1.037 0.000 0.761 451 E HN 0.558 nan 8.360 nan 0.000 0.507 452 W N 1.493 122.844 121.300 0.086 0.000 3.123 452 W HA 0.266 4.927 4.660 0.003 0.000 0.383 452 W C 0.726 177.293 176.519 0.080 0.000 1.102 452 W CA -1.186 56.237 57.345 0.130 0.000 1.865 452 W CB 0.265 29.783 29.460 0.097 0.000 1.111 452 W HN -0.197 nan 8.180 nan 0.000 0.621 453 R N 1.532 122.116 120.500 0.139 0.000 2.446 453 R HA 0.317 4.658 4.340 0.003 0.000 0.314 453 R C 1.194 177.533 176.300 0.064 0.000 1.003 453 R CA 1.665 57.805 56.100 0.068 0.000 1.018 453 R CB -0.145 30.139 30.300 -0.027 0.000 0.945 453 R HN 0.307 nan 8.270 nan 0.000 0.419 454 G N 3.615 112.457 108.800 0.070 0.000 2.211 454 G HA2 -0.220 3.742 3.960 0.003 0.000 0.201 454 G HA3 -0.220 3.742 3.960 0.003 0.000 0.201 454 G C 0.126 175.076 174.900 0.083 0.000 0.997 454 G CA -0.109 45.019 45.100 0.045 0.000 0.652 454 G HN 0.546 nan 8.290 nan 0.000 0.500 455 L N 2.114 123.413 121.223 0.127 0.000 2.437 455 L HA 0.312 4.654 4.340 0.003 0.000 0.243 455 L C 2.137 179.046 176.870 0.066 0.000 1.346 455 L CA -0.316 54.581 54.840 0.094 0.000 1.233 455 L CB 0.065 42.187 42.059 0.105 0.000 1.436 455 L HN 0.301 nan 8.230 nan 0.000 0.416 456 R N 2.132 122.664 120.500 0.054 0.000 2.143 456 R HA -0.201 4.141 4.340 0.003 0.000 0.239 456 R C 0.719 177.043 176.300 0.040 0.000 1.126 456 R CA 2.135 58.262 56.100 0.044 0.000 0.927 456 R CB 0.053 30.376 30.300 0.038 0.000 0.860 456 R HN 0.689 nan 8.270 nan 0.000 0.433 457 N N 0.709 119.431 118.700 0.037 0.000 2.851 457 N HA 0.057 4.798 4.740 0.003 0.000 0.248 457 N C -0.966 174.574 175.510 0.050 0.000 1.221 457 N CA -0.308 52.768 53.050 0.044 0.000 0.847 457 N CB 1.026 39.538 38.487 0.043 0.000 1.150 457 N HN 0.122 nan 8.380 nan 0.000 0.507 458 I N 2.020 122.613 120.570 0.039 0.000 2.336 458 I HA 0.336 4.508 4.170 0.003 0.000 0.292 458 I C -0.155 176.004 176.117 0.070 0.000 0.991 458 I CA -0.755 60.562 61.300 0.027 0.000 1.227 458 I CB 0.965 38.941 38.000 -0.040 0.000 1.366 458 I HN 0.241 nan 8.210 nan 0.000 0.466 459 F N 6.918 126.819 119.950 -0.082 0.000 2.085 459 F HA 0.091 4.620 4.527 0.003 0.000 0.284 459 F C 0.864 176.604 175.800 -0.100 0.000 1.127 459 F CA 0.855 58.807 58.000 -0.079 0.000 1.164 459 F CB 0.169 39.131 39.000 -0.063 0.000 1.035 459 F HN 0.613 nan 8.300 nan 0.000 0.481 460 E N -0.065 120.169 120.200 0.057 0.000 2.277 460 E HA 0.519 4.870 4.350 0.003 0.000 0.266 460 E C -1.308 175.247 176.600 -0.074 0.000 0.901 460 E CA -0.639 55.715 56.400 -0.078 0.000 0.782 460 E CB 2.278 31.972 29.700 -0.010 0.000 1.228 460 E HN 0.219 nan 8.360 nan 0.000 0.424 461 I N 2.911 123.408 120.570 -0.123 0.000 2.595 461 I HA 0.143 4.315 4.170 0.003 0.000 0.275 461 I C -1.264 174.842 176.117 -0.019 0.000 1.092 461 I CA -0.885 60.335 61.300 -0.134 0.000 1.145 461 I CB 0.661 38.460 38.000 -0.334 0.000 1.276 461 I HN 0.588 nan 8.210 nan 0.000 0.497 462 Y N 6.647 126.911 120.300 -0.060 0.000 2.587 462 Y HA 0.241 4.792 4.550 0.003 0.000 0.344 462 Y C 0.140 176.061 175.900 0.035 0.000 1.061 462 Y CA 0.183 58.275 58.100 -0.013 0.000 1.370 462 Y CB 0.746 39.212 38.460 0.010 0.000 1.163 462 Y HN 0.535 nan 8.280 nan 0.000 0.527 463 L N 4.889 125.965 121.223 -0.245 0.000 3.289 463 L HA 0.397 4.739 4.340 0.003 0.000 0.291 463 L C -0.158 176.561 176.870 -0.252 0.000 1.279 463 L CA 0.214 54.977 54.840 -0.128 0.000 1.025 463 L CB 0.049 42.141 42.059 0.054 0.000 1.413 463 L HN 0.461 nan 8.230 nan 0.000 0.593 464 S N -0.186 115.156 115.700 -0.597 0.000 2.580 464 S HA 0.404 4.876 4.470 0.003 0.000 0.274 464 S C -0.836 173.644 174.600 -0.200 0.000 1.329 464 S CA 0.022 57.919 58.200 -0.506 0.000 1.036 464 S CB 0.288 63.086 63.200 -0.670 0.000 0.919 464 S HN 0.288 nan 8.310 nan 0.000 0.515 465 Y N 0.099 120.332 120.300 -0.112 0.000 3.101 465 Y HA -0.205 4.347 4.550 0.003 0.000 0.165 465 Y C -0.103 175.790 175.900 -0.012 0.000 1.901 465 Y CA -0.144 57.930 58.100 -0.043 0.000 1.173 465 Y CB -2.290 36.158 38.460 -0.020 0.000 1.568 465 Y HN 0.638 nan 8.280 nan 0.000 0.405 466 N N -0.567 118.178 118.700 0.075 0.000 2.966 466 N HA 0.504 5.245 4.740 0.003 0.000 0.314 466 N C 0.774 176.336 175.510 0.087 0.000 1.397 466 N CA -1.022 52.081 53.050 0.089 0.000 0.776 466 N CB 0.747 39.287 38.487 0.087 0.000 1.576 466 N HN -0.033 nan 8.380 nan 0.000 0.592 467 K N -0.404 120.060 120.400 0.107 0.000 2.067 467 K HA 0.092 4.414 4.320 0.003 0.000 0.203 467 K C -0.528 176.187 176.600 0.193 0.000 1.048 467 K CA 1.307 57.671 56.287 0.129 0.000 0.954 467 K CB 0.104 32.678 32.500 0.124 0.000 0.737 467 K HN 0.533 nan 8.250 nan 0.000 0.444 468 Y N -0.611 119.702 120.300 0.021 0.000 2.474 468 Y HA 0.284 4.836 4.550 0.003 0.000 0.326 468 Y C -1.693 174.218 175.900 0.018 0.000 1.160 468 Y CA -0.972 57.137 58.100 0.014 0.000 1.056 468 Y CB 1.071 39.537 38.460 0.010 0.000 1.330 468 Y HN -0.144 nan 8.280 nan 0.000 0.447 469 L N 6.453 127.784 121.223 0.180 0.000 2.502 469 L HA 0.330 4.671 4.340 0.003 0.000 0.249 469 L C -0.475 176.466 176.870 0.118 0.000 1.446 469 L CA -0.367 54.581 54.840 0.179 0.000 0.887 469 L CB 1.439 43.565 42.059 0.111 0.000 1.126 469 L HN 0.634 nan 8.230 nan 0.000 0.509 470 Q N 2.065 122.041 119.800 0.295 0.000 2.289 470 Q HA 0.335 4.677 4.340 0.003 0.000 0.273 470 Q C -0.898 175.152 176.000 0.082 0.000 1.029 470 Q CA 0.248 56.173 55.803 0.204 0.000 0.896 470 Q CB 0.931 29.903 28.738 0.390 0.000 1.182 470 Q HN 0.515 nan 8.270 nan 0.000 0.385 471 L N 2.261 123.499 121.223 0.024 0.000 2.358 471 L HA 0.548 4.890 4.340 0.003 0.000 0.268 471 L C 0.097 176.943 176.870 -0.040 0.000 1.032 471 L CA -0.500 54.326 54.840 -0.023 0.000 0.805 471 L CB 1.858 43.895 42.059 -0.037 0.000 1.253 471 L HN 0.781 nan 8.230 nan 0.000 0.452 472 S N -1.802 113.855 115.700 -0.072 0.000 2.740 472 S HA 0.184 4.656 4.470 0.003 0.000 0.300 472 S C 0.428 174.985 174.600 -0.072 0.000 1.147 472 S CA -0.075 58.089 58.200 -0.061 0.000 0.871 472 S CB 1.530 64.695 63.200 -0.058 0.000 1.173 472 S HN 0.626 nan 8.310 nan 0.000 0.510 473 T N -0.146 114.378 114.554 -0.050 0.000 3.098 473 T HA 0.028 4.379 4.350 0.003 0.000 0.266 473 T C 1.202 175.885 174.700 -0.027 0.000 1.145 473 T CA 1.647 63.723 62.100 -0.040 0.000 1.092 473 T CB -0.665 68.189 68.868 -0.024 0.000 0.908 473 T HN 0.662 nan 8.240 nan 0.000 0.526 474 S N -1.071 114.605 115.700 -0.039 0.000 2.666 474 S HA 0.231 4.703 4.470 0.003 0.000 0.239 474 S C 1.894 176.464 174.600 -0.049 0.000 1.031 474 S CA 0.527 58.715 58.200 -0.022 0.000 1.015 474 S CB -0.134 63.053 63.200 -0.022 0.000 0.981 474 S HN 0.456 nan 8.310 nan 0.000 0.547 475 S N 1.122 116.738 115.700 -0.139 0.000 2.399 475 S HA -0.152 4.319 4.470 0.003 0.000 0.235 475 S C 0.689 175.031 174.600 -0.429 0.000 1.063 475 S CA 2.014 60.002 58.200 -0.352 0.000 1.070 475 S CB -0.395 62.461 63.200 -0.572 0.000 0.904 475 S HN 0.723 nan 8.310 nan 0.000 0.456 476 F N -0.134 119.906 119.950 0.149 0.000 2.706 476 F HA 0.521 5.050 4.527 0.003 0.000 0.313 476 F C 1.831 177.695 175.800 0.107 0.000 1.096 476 F CA -0.295 57.796 58.000 0.152 0.000 1.219 476 F CB -0.425 38.630 39.000 0.092 0.000 1.051 476 F HN 0.097 nan 8.300 nan 0.000 0.568 477 A N 0.386 123.324 122.820 0.197 0.000 1.986 477 A HA -0.192 4.130 4.320 0.003 0.000 0.220 477 A C 2.171 179.830 177.584 0.125 0.000 1.171 477 A CA 1.541 53.658 52.037 0.134 0.000 0.640 477 A CB -0.775 18.272 19.000 0.079 0.000 0.811 477 A HN 0.471 nan 8.150 nan 0.000 0.451 478 L N -0.325 120.989 121.223 0.151 0.000 2.291 478 L HA -0.007 4.335 4.340 0.003 0.000 0.214 478 L C 0.401 177.358 176.870 0.145 0.000 1.120 478 L CA 0.761 55.686 54.840 0.140 0.000 0.799 478 L CB 0.276 42.431 42.059 0.159 0.000 0.925 478 L HN 0.365 nan 8.230 nan 0.000 0.446 479 V N -3.201 116.811 119.914 0.164 0.000 2.315 479 V HA 0.378 4.500 4.120 0.003 0.000 0.265 479 V C -2.219 173.911 176.094 0.061 0.000 1.019 479 V CA -1.224 61.136 62.300 0.100 0.000 0.824 479 V CB 0.556 32.415 31.823 0.060 0.000 1.072 479 V HN 0.004 nan 8.190 nan 0.000 0.448 480 P HA 0.204 nan 4.420 nan 0.000 0.258 480 P C 0.594 177.887 177.300 -0.012 0.000 1.416 480 P CA 0.036 63.149 63.100 0.021 0.000 0.927 480 P CB 0.587 32.306 31.700 0.032 0.000 1.444 481 S N -0.629 115.059 115.700 -0.020 0.000 2.556 481 S HA 0.155 4.626 4.470 0.003 0.000 0.216 481 S C 0.936 175.479 174.600 -0.094 0.000 0.970 481 S CA -0.309 57.873 58.200 -0.030 0.000 0.912 481 S CB -0.161 63.044 63.200 0.007 0.000 0.790 481 S HN 0.191 nan 8.310 nan 0.000 0.504 482 L N 2.482 123.624 121.223 -0.134 0.000 2.499 482 L HA 0.063 4.405 4.340 0.003 0.000 0.273 482 L C 1.414 178.100 176.870 -0.307 0.000 1.195 482 L CA 0.135 54.837 54.840 -0.229 0.000 0.882 482 L CB 0.559 42.473 42.059 -0.242 0.000 1.133 482 L HN 0.254 nan 8.230 nan 0.000 0.483 483 Q N 3.131 122.655 119.800 -0.459 0.000 2.499 483 Q HA 0.207 4.548 4.340 0.003 0.000 0.213 483 Q C 0.089 175.846 176.000 -0.406 0.000 0.929 483 Q CA 0.626 56.114 55.803 -0.526 0.000 0.904 483 Q CB 0.667 28.806 28.738 -0.997 0.000 1.052 483 Q HN 0.580 nan 8.270 nan 0.000 0.589 484 R N 0.523 120.791 120.500 -0.387 0.000 2.562 484 R HA 0.566 4.908 4.340 0.003 0.000 0.298 484 R C -1.171 174.987 176.300 -0.236 0.000 0.961 484 R CA -0.574 55.372 56.100 -0.257 0.000 0.881 484 R CB 1.825 32.023 30.300 -0.170 0.000 1.159 484 R HN -0.070 nan 8.270 nan 0.000 0.450 485 L N 4.006 125.083 121.223 -0.243 0.000 2.457 485 L HA 0.421 4.763 4.340 0.003 0.000 0.266 485 L C -1.311 175.437 176.870 -0.202 0.000 0.979 485 L CA -0.452 54.231 54.840 -0.262 0.000 0.857 485 L CB 1.706 43.513 42.059 -0.419 0.000 1.213 485 L HN 0.559 nan 8.230 nan 0.000 0.418 486 M N 6.020 125.541 119.600 -0.132 0.000 2.264 486 M HA 0.462 4.943 4.480 0.003 0.000 0.352 486 M C -0.595 175.596 176.300 -0.181 0.000 1.173 486 M CA -0.420 54.795 55.300 -0.142 0.000 1.075 486 M CB 1.598 34.138 32.600 -0.100 0.000 1.621 486 M HN 0.388 nan 8.290 nan 0.000 0.457 487 L N 2.242 123.353 121.223 -0.187 0.000 3.165 487 L HA 0.347 4.689 4.340 0.003 0.000 0.327 487 L C 0.074 176.806 176.870 -0.231 0.000 1.294 487 L CA 0.042 54.785 54.840 -0.163 0.000 0.838 487 L CB -0.173 41.849 42.059 -0.061 0.000 1.274 487 L HN 0.796 nan 8.230 nan 0.000 0.590 488 R N 0.824 121.127 120.500 -0.328 0.000 2.543 488 R HA 0.200 4.542 4.340 0.003 0.000 0.277 488 R C 0.703 176.674 176.300 -0.548 0.000 1.074 488 R CA -0.265 55.587 56.100 -0.413 0.000 1.076 488 R CB 0.537 30.562 30.300 -0.458 0.000 0.993 488 R HN 0.179 nan 8.270 nan 0.000 0.459 489 R N 2.306 122.555 120.500 -0.419 0.000 3.034 489 R HA -0.163 4.179 4.340 0.003 0.000 0.237 489 R C 0.210 176.371 176.300 -0.232 0.000 0.861 489 R CA 0.896 56.810 56.100 -0.309 0.000 0.588 489 R CB -1.017 29.094 30.300 -0.315 0.000 1.035 489 R HN 0.525 nan 8.270 nan 0.000 0.488 490 V N -2.196 117.612 119.914 -0.176 0.000 3.253 490 V HA 0.459 4.580 4.120 0.003 0.000 0.320 490 V C 0.809 176.845 176.094 -0.097 0.000 1.442 490 V CA 0.452 62.691 62.300 -0.101 0.000 1.097 490 V CB 0.574 32.349 31.823 -0.081 0.000 1.008 490 V HN 0.567 nan 8.190 nan 0.000 0.463 491 A N 0.906 123.654 122.820 -0.121 0.000 2.560 491 A HA -0.204 4.118 4.320 0.003 0.000 0.299 491 A C 0.250 177.686 177.584 -0.246 0.000 1.484 491 A CA 1.038 52.977 52.037 -0.163 0.000 0.749 491 A CB -2.207 16.701 19.000 -0.152 0.000 1.072 491 A HN 0.755 nan 8.150 nan 0.000 0.426 492 L N -0.563 120.557 121.223 -0.172 0.000 2.529 492 L HA 0.214 4.556 4.340 0.003 0.000 0.287 492 L C 0.798 177.550 176.870 -0.196 0.000 1.241 492 L CA 1.096 55.844 54.840 -0.153 0.000 0.857 492 L CB 0.529 42.552 42.059 -0.061 0.000 1.113 492 L HN 0.655 nan 8.230 nan 0.000 0.504 493 K N 2.888 123.176 120.400 -0.187 0.000 2.501 493 K HA 0.267 4.589 4.320 0.003 0.000 0.252 493 K C -0.846 175.720 176.600 -0.057 0.000 0.934 493 K CA -0.602 55.596 56.287 -0.149 0.000 0.797 493 K CB 1.212 33.566 32.500 -0.244 0.000 1.270 493 K HN 0.703 nan 8.250 nan 0.000 0.431 494 N N 2.333 121.017 118.700 -0.026 0.000 2.725 494 N HA -0.153 4.589 4.740 0.003 0.000 0.256 494 N C 0.085 175.586 175.510 -0.015 0.000 1.087 494 N CA 0.518 53.563 53.050 -0.009 0.000 0.690 494 N CB -0.886 37.601 38.487 -0.001 0.000 0.891 494 N HN 0.398 nan 8.380 nan 0.000 0.553 495 V N -2.850 117.067 119.914 0.005 0.000 3.528 495 V HA 0.104 4.226 4.120 0.003 0.000 0.294 495 V C 1.469 177.588 176.094 0.042 0.000 1.404 495 V CA 0.814 63.122 62.300 0.014 0.000 1.065 495 V CB 0.517 32.392 31.823 0.086 0.000 0.904 495 V HN 0.417 nan 8.190 nan 0.000 0.435 496 D N 1.588 122.010 120.400 0.037 0.000 2.350 496 D HA 0.023 4.665 4.640 0.003 0.000 0.213 496 D C 1.036 177.351 176.300 0.026 0.000 1.031 496 D CA -0.031 53.997 54.000 0.047 0.000 0.861 496 D CB 0.128 40.956 40.800 0.046 0.000 0.926 496 D HN 0.569 nan 8.370 nan 0.000 0.520 497 I N 0.289 120.862 120.570 0.005 0.000 2.754 497 I HA 0.260 4.432 4.170 0.003 0.000 0.285 497 I C -0.390 175.724 176.117 -0.004 0.000 1.166 497 I CA -0.472 60.826 61.300 -0.003 0.000 1.417 497 I CB 0.656 38.646 38.000 -0.016 0.000 1.382 497 I HN -0.301 nan 8.210 nan 0.000 0.588 498 S N 6.870 122.570 115.700 0.000 0.000 2.472 498 S HA 0.655 5.127 4.470 0.003 0.000 0.303 498 S C -1.889 172.710 174.600 -0.001 0.000 1.099 498 S CA -0.832 57.369 58.200 0.003 0.000 1.077 498 S CB 1.441 64.646 63.200 0.009 0.000 1.031 498 S HN 0.698 nan 8.310 nan 0.000 0.487 499 P HA 0.193 nan 4.420 nan 0.000 0.277 499 P C -0.266 177.031 177.300 -0.004 0.000 1.276 499 P CA -0.466 62.637 63.100 0.005 0.000 0.788 499 P CB 0.340 32.047 31.700 0.010 0.000 1.114 500 S N 1.251 116.957 115.700 0.009 0.000 2.525 500 S HA 0.059 4.530 4.470 0.003 0.000 0.285 500 S C -1.062 173.502 174.600 -0.059 0.000 1.283 500 S CA -1.074 57.126 58.200 0.000 0.000 1.072 500 S CB -0.299 62.950 63.200 0.081 0.000 0.867 500 S HN 0.275 nan 8.310 nan 0.000 0.492 501 P HA -0.117 nan 4.420 nan 0.000 0.222 501 P C 0.471 177.680 177.300 -0.153 0.000 1.142 501 P CA 1.225 64.183 63.100 -0.237 0.000 0.788 501 P CB -0.118 31.351 31.700 -0.385 0.000 0.767 502 F N -0.679 119.337 119.950 0.111 0.000 2.727 502 F HA 0.267 4.796 4.527 0.003 0.000 0.302 502 F C 2.369 178.178 175.800 0.015 0.000 1.097 502 F CA -0.462 57.556 58.000 0.029 0.000 1.330 502 F CB -0.849 38.113 39.000 -0.064 0.000 1.084 502 F HN -0.218 nan 8.300 nan 0.000 0.578 503 R N 2.599 123.186 120.500 0.145 0.000 2.113 503 R HA -0.160 4.181 4.340 0.003 0.000 0.244 503 R C -0.681 175.667 176.300 0.080 0.000 1.142 503 R CA 2.115 58.270 56.100 0.091 0.000 0.953 503 R CB -1.966 28.367 30.300 0.055 0.000 0.860 503 R HN 0.145 nan 8.270 nan 0.000 0.438 504 P HA -0.046 nan 4.420 nan 0.000 0.233 504 P C -0.207 177.129 177.300 0.060 0.000 1.167 504 P CA 0.691 63.836 63.100 0.075 0.000 0.770 504 P CB 0.075 31.829 31.700 0.089 0.000 0.837 505 L N 1.046 122.309 121.223 0.067 0.000 2.404 505 L HA 0.197 4.539 4.340 0.003 0.000 0.277 505 L C 1.927 178.783 176.870 -0.024 0.000 1.184 505 L CA -0.291 54.551 54.840 0.004 0.000 1.013 505 L CB 0.076 42.113 42.059 -0.037 0.000 1.318 505 L HN -0.123 nan 8.230 nan 0.000 0.435 506 R N 0.634 121.120 120.500 -0.023 0.000 2.090 506 R HA 0.024 4.365 4.340 0.003 0.000 0.219 506 R C 1.239 177.505 176.300 -0.058 0.000 1.100 506 R CA 0.400 56.482 56.100 -0.029 0.000 0.991 506 R CB 0.032 30.325 30.300 -0.012 0.000 0.893 506 R HN 0.520 nan 8.270 nan 0.000 0.443 507 N N 1.531 120.188 118.700 -0.071 0.000 2.575 507 N HA -0.046 4.696 4.740 0.003 0.000 0.192 507 N C -0.146 175.273 175.510 -0.151 0.000 1.200 507 N CA 0.102 53.092 53.050 -0.099 0.000 0.897 507 N CB 0.018 38.451 38.487 -0.089 0.000 0.990 507 N HN 0.015 nan 8.380 nan 0.000 0.449 508 L N 1.351 122.483 121.223 -0.152 0.000 2.418 508 L HA 0.052 4.394 4.340 0.003 0.000 0.274 508 L C 1.656 178.416 176.870 -0.183 0.000 1.135 508 L CA 0.523 55.243 54.840 -0.199 0.000 0.870 508 L CB 0.789 42.723 42.059 -0.208 0.000 1.154 508 L HN 0.039 nan 8.230 nan 0.000 0.462 509 T N 2.622 117.051 114.554 -0.207 0.000 3.044 509 T HA 0.309 4.661 4.350 0.003 0.000 0.237 509 T C 0.751 175.361 174.700 -0.151 0.000 1.001 509 T CA 0.092 62.090 62.100 -0.169 0.000 1.160 509 T CB -0.200 68.560 68.868 -0.180 0.000 0.889 509 T HN 0.337 nan 8.240 nan 0.000 0.442 510 I N 2.460 122.927 120.570 -0.172 0.000 2.321 510 I HA 0.539 4.710 4.170 0.003 0.000 0.291 510 I C -0.918 175.093 176.117 -0.178 0.000 0.998 510 I CA -0.893 60.324 61.300 -0.139 0.000 1.227 510 I CB 1.834 39.765 38.000 -0.114 0.000 1.368 510 I HN 0.289 nan 8.210 nan 0.000 0.466 511 L N 6.574 127.696 121.223 -0.167 0.000 2.410 511 L HA 0.576 4.918 4.340 0.003 0.000 0.270 511 L C -1.595 175.176 176.870 -0.165 0.000 0.983 511 L CA -0.422 54.274 54.840 -0.240 0.000 0.822 511 L CB 2.011 43.858 42.059 -0.355 0.000 1.285 511 L HN 0.507 nan 8.230 nan 0.000 0.409 512 D N 5.573 125.861 120.400 -0.186 0.000 2.492 512 D HA 0.359 5.000 4.640 0.003 0.000 0.248 512 D C -0.692 175.477 176.300 -0.220 0.000 1.101 512 D CA -0.206 53.701 54.000 -0.155 0.000 0.840 512 D CB 1.815 42.549 40.800 -0.110 0.000 1.209 512 D HN 0.565 nan 8.370 nan 0.000 0.524 513 L N 3.120 124.158 121.223 -0.308 0.000 3.193 513 L HA 0.167 4.509 4.340 0.003 0.000 0.305 513 L C 0.514 177.114 176.870 -0.451 0.000 1.299 513 L CA -0.481 54.119 54.840 -0.399 0.000 0.904 513 L CB 0.515 42.245 42.059 -0.549 0.000 1.331 513 L HN 0.255 nan 8.230 nan 0.000 0.588 514 S N -1.739 113.787 115.700 -0.290 0.000 2.601 514 S HA 0.315 4.787 4.470 0.003 0.000 0.271 514 S C 0.567 175.081 174.600 -0.143 0.000 1.305 514 S CA -0.419 57.661 58.200 -0.201 0.000 1.022 514 S CB 0.982 64.115 63.200 -0.110 0.000 0.940 514 S HN 0.497 nan 8.310 nan 0.000 0.525 515 N N 1.351 120.028 118.700 -0.039 0.000 2.714 515 N HA -0.146 4.596 4.740 0.003 0.000 0.253 515 N C -0.334 175.125 175.510 -0.085 0.000 1.024 515 N CA 0.861 53.907 53.050 -0.006 0.000 0.726 515 N CB -1.526 36.960 38.487 -0.001 0.000 0.908 515 N HN 0.702 nan 8.380 nan 0.000 0.542 516 N N 0.132 118.771 118.700 -0.103 0.000 2.145 516 N HA 0.057 4.799 4.740 0.003 0.000 0.219 516 N C -0.165 175.292 175.510 -0.088 0.000 1.266 516 N CA -0.130 52.851 53.050 -0.115 0.000 0.902 516 N CB 0.262 38.660 38.487 -0.149 0.000 1.078 516 N HN 0.391 nan 8.380 nan 0.000 0.513 517 N N 1.703 120.365 118.700 -0.064 0.000 2.714 517 N HA -0.180 4.561 4.740 0.003 0.000 0.253 517 N C -0.721 174.759 175.510 -0.050 0.000 1.024 517 N CA 0.257 53.281 53.050 -0.044 0.000 0.726 517 N CB -1.472 36.991 38.487 -0.039 0.000 0.908 517 N HN 0.322 nan 8.380 nan 0.000 0.542 518 I N 1.151 121.687 120.570 -0.055 0.000 2.671 518 I HA -0.043 4.129 4.170 0.003 0.000 0.285 518 I C 2.012 178.125 176.117 -0.006 0.000 1.148 518 I CA 0.272 61.554 61.300 -0.030 0.000 1.386 518 I CB 0.367 38.360 38.000 -0.010 0.000 1.406 518 I HN 0.341 nan 8.210 nan 0.000 0.540 519 A N 6.182 128.996 122.820 -0.010 0.000 1.884 519 A HA -0.217 4.105 4.320 0.003 0.000 0.219 519 A C 0.766 178.352 177.584 0.004 0.000 1.197 519 A CA 2.413 54.447 52.037 -0.006 0.000 0.637 519 A CB -0.563 18.434 19.000 -0.005 0.000 0.827 519 A HN 0.956 nan 8.150 nan 0.000 0.450 520 N N -3.920 114.797 118.700 0.028 0.000 3.261 520 N HA 0.592 5.334 4.740 0.003 0.000 0.248 520 N C -1.141 174.423 175.510 0.092 0.000 1.498 520 N CA -0.277 52.798 53.050 0.042 0.000 0.884 520 N CB 1.308 39.813 38.487 0.031 0.000 1.428 520 N HN 0.432 nan 8.380 nan 0.000 0.517 521 I N 0.147 120.788 120.570 0.119 0.000 2.746 521 I HA 0.289 4.460 4.170 0.003 0.000 0.290 521 I C -1.696 174.528 176.117 0.178 0.000 1.600 521 I CA -0.441 60.964 61.300 0.175 0.000 1.019 521 I CB 1.657 39.839 38.000 0.303 0.000 1.426 521 I HN 0.957 nan 8.210 nan 0.000 0.460 522 N N 5.656 124.439 118.700 0.138 0.000 2.489 522 N HA 0.257 4.999 4.740 0.003 0.000 0.284 522 N C 0.598 176.174 175.510 0.111 0.000 1.158 522 N CA -0.544 52.575 53.050 0.116 0.000 0.965 522 N CB 1.502 40.032 38.487 0.072 0.000 1.195 522 N HN 0.651 nan 8.380 nan 0.000 0.506 523 E N 0.106 120.362 120.200 0.095 0.000 2.219 523 E HA -0.355 3.997 4.350 0.003 0.000 0.198 523 E C 0.674 177.273 176.600 -0.002 0.000 0.998 523 E CA 1.430 57.857 56.400 0.045 0.000 0.818 523 E CB -0.209 29.514 29.700 0.037 0.000 0.741 523 E HN 0.647 nan 8.360 nan 0.000 0.477 524 D N 1.254 121.665 120.400 0.017 0.000 2.170 524 D HA -0.194 4.448 4.640 0.003 0.000 0.193 524 D C 0.819 177.122 176.300 0.005 0.000 1.004 524 D CA 0.617 54.624 54.000 0.010 0.000 0.860 524 D CB -0.331 40.481 40.800 0.020 0.000 0.931 524 D HN 0.206 nan 8.370 nan 0.000 0.448 525 L N 0.395 121.628 121.223 0.016 0.000 2.554 525 L HA -0.047 4.295 4.340 0.003 0.000 0.293 525 L C 0.872 177.721 176.870 -0.035 0.000 1.252 525 L CA 0.556 55.419 54.840 0.040 0.000 0.862 525 L CB 0.158 42.263 42.059 0.077 0.000 1.113 525 L HN 0.353 nan 8.230 nan 0.000 0.510 526 L N 0.731 121.972 121.223 0.031 0.000 4.884 526 L HA -0.241 4.100 4.340 0.003 0.000 0.430 526 L C 0.640 177.484 176.870 -0.043 0.000 1.087 526 L CA 0.910 55.722 54.840 -0.048 0.000 1.033 526 L CB -1.357 40.585 42.059 -0.195 0.000 2.030 526 L HN 0.805 nan 8.230 nan 0.000 0.762 527 E N 0.846 121.038 120.200 -0.014 0.000 2.292 527 E HA 0.302 4.654 4.350 0.003 0.000 0.265 527 E C 1.368 177.969 176.600 0.001 0.000 1.093 527 E CA 0.896 57.289 56.400 -0.011 0.000 0.922 527 E CB 0.243 29.942 29.700 -0.001 0.000 1.001 527 E HN 0.358 nan 8.360 nan 0.000 0.444 528 G N 4.113 112.910 108.800 -0.004 0.000 2.176 528 G HA2 -0.249 3.712 3.960 0.003 0.000 0.232 528 G HA3 -0.249 3.712 3.960 0.003 0.000 0.232 528 G C 0.291 175.192 174.900 0.001 0.000 0.986 528 G CA 0.057 45.159 45.100 0.004 0.000 0.643 528 G HN 0.554 nan 8.290 nan 0.000 0.522 529 L N 1.301 122.517 121.223 -0.011 0.000 2.384 529 L HA 0.393 4.735 4.340 0.003 0.000 0.258 529 L C 1.545 178.414 176.870 -0.002 0.000 1.266 529 L CA 0.057 54.884 54.840 -0.022 0.000 1.162 529 L CB 0.672 42.700 42.059 -0.051 0.000 1.375 529 L HN 0.263 nan 8.230 nan 0.000 0.420 530 E N 1.375 121.585 120.200 0.017 0.000 2.516 530 E HA -0.123 4.229 4.350 0.003 0.000 0.199 530 E C 1.062 177.710 176.600 0.080 0.000 1.069 530 E CA 0.961 57.399 56.400 0.064 0.000 0.876 530 E CB 0.202 29.942 29.700 0.068 0.000 0.843 530 E HN 0.515 nan 8.360 nan 0.000 0.530 531 N N -0.058 118.642 118.700 0.001 0.000 2.181 531 N HA 0.012 4.754 4.740 0.003 0.000 0.207 531 N C -0.147 175.334 175.510 -0.048 0.000 1.182 531 N CA -0.243 52.771 53.050 -0.060 0.000 0.893 531 N CB 0.343 38.761 38.487 -0.116 0.000 1.032 531 N HN 0.201 nan 8.380 nan 0.000 0.513 532 L N 2.948 124.154 121.223 -0.028 0.000 2.700 532 L HA -0.023 4.319 4.340 0.003 0.000 0.272 532 L C 0.843 177.726 176.870 0.023 0.000 1.176 532 L CA 1.151 55.968 54.840 -0.038 0.000 0.961 532 L CB 0.145 42.174 42.059 -0.050 0.000 1.249 532 L HN 0.191 nan 8.230 nan 0.000 0.487 533 E N 4.499 124.698 120.200 -0.001 0.000 2.152 533 E HA 0.119 4.470 4.350 0.003 0.000 0.195 533 E C -0.225 176.419 176.600 0.073 0.000 0.934 533 E CA 0.174 56.606 56.400 0.053 0.000 0.869 533 E CB 0.388 30.040 29.700 -0.081 0.000 0.842 533 E HN 0.522 nan 8.360 nan 0.000 0.472 534 I N 1.853 122.434 120.570 0.018 0.000 2.377 534 I HA 0.243 4.415 4.170 0.003 0.000 0.293 534 I C -0.827 175.308 176.117 0.030 0.000 0.987 534 I CA -0.632 60.691 61.300 0.038 0.000 1.185 534 I CB 1.584 39.593 38.000 0.015 0.000 1.341 534 I HN -0.004 nan 8.210 nan 0.000 0.455 535 L N 6.127 127.396 121.223 0.076 0.000 2.436 535 L HA 0.683 5.025 4.340 0.003 0.000 0.268 535 L C -1.757 175.216 176.870 0.171 0.000 0.974 535 L CA -0.203 54.706 54.840 0.115 0.000 0.826 535 L CB 1.833 43.981 42.059 0.149 0.000 1.291 535 L HN 0.418 nan 8.230 nan 0.000 0.406 536 D N 4.430 124.931 120.400 0.168 0.000 2.502 536 D HA 0.423 5.065 4.640 0.003 0.000 0.249 536 D C -0.527 175.872 176.300 0.164 0.000 1.092 536 D CA 0.397 54.481 54.000 0.141 0.000 0.839 536 D CB 1.498 42.313 40.800 0.025 0.000 1.264 536 D HN 0.505 nan 8.370 nan 0.000 0.511 537 F N 0.714 120.635 119.950 -0.047 0.000 2.815 537 F HA 0.116 4.645 4.527 0.003 0.000 0.323 537 F C 0.212 175.931 175.800 -0.136 0.000 1.151 537 F CA -0.507 57.447 58.000 -0.076 0.000 1.191 537 F CB 0.732 39.678 39.000 -0.090 0.000 1.069 537 F HN 0.053 nan 8.300 nan 0.000 0.514 538 Q N 1.016 120.763 119.800 -0.088 0.000 2.263 538 Q HA 0.043 4.385 4.340 0.003 0.000 0.289 538 Q C -0.236 175.573 176.000 -0.318 0.000 1.061 538 Q CA 0.755 56.354 55.803 -0.339 0.000 0.927 538 Q CB -0.249 28.208 28.738 -0.468 0.000 1.154 538 Q HN 0.192 nan 8.270 nan 0.000 0.378 539 H N 2.108 121.168 119.070 -0.017 0.000 2.935 539 H HA -0.155 4.403 4.556 0.003 0.000 0.341 539 H C -0.803 174.490 175.328 -0.057 0.000 1.161 539 H CA 0.385 56.411 56.048 -0.036 0.000 1.135 539 H CB -1.543 28.197 29.762 -0.036 0.000 1.605 539 H HN 0.798 nan 8.280 nan 0.000 0.409 540 N N 1.184 119.900 118.700 0.026 0.000 2.381 540 N HA -0.052 4.689 4.740 0.003 0.000 0.257 540 N C 0.343 175.842 175.510 -0.019 0.000 1.409 540 N CA -0.221 52.822 53.050 -0.010 0.000 0.836 540 N CB 0.413 38.880 38.487 -0.032 0.000 1.384 540 N HN 0.484 nan 8.380 nan 0.000 0.490 541 N N 1.640 120.327 118.700 -0.023 0.000 2.718 541 N HA -0.207 4.535 4.740 0.003 0.000 0.268 541 N C -0.007 175.457 175.510 -0.076 0.000 0.965 541 N CA 0.183 53.207 53.050 -0.044 0.000 0.817 541 N CB -0.591 37.879 38.487 -0.029 0.000 0.914 541 N HN 0.251 nan 8.380 nan 0.000 0.558 542 L N 0.570 121.713 121.223 -0.133 0.000 2.783 542 L HA 0.350 4.691 4.340 0.003 0.000 0.236 542 L C 1.886 178.572 176.870 -0.306 0.000 1.225 542 L CA 0.678 55.378 54.840 -0.234 0.000 1.026 542 L CB -0.523 41.325 42.059 -0.352 0.000 1.314 542 L HN 0.338 nan 8.230 nan 0.000 0.489 543 A N 1.153 123.865 122.820 -0.180 0.000 1.842 543 A HA -0.261 4.060 4.320 0.003 0.000 0.217 543 A C 2.146 179.676 177.584 -0.089 0.000 1.206 543 A CA 2.140 54.099 52.037 -0.130 0.000 0.630 543 A CB -0.390 18.569 19.000 -0.068 0.000 0.839 543 A HN 0.613 nan 8.150 nan 0.000 0.447 544 R N 0.196 120.663 120.500 -0.055 0.000 2.285 544 R HA 0.133 4.474 4.340 0.003 0.000 0.213 544 R C 1.286 177.594 176.300 0.012 0.000 1.068 544 R CA 0.672 56.766 56.100 -0.011 0.000 1.004 544 R CB -0.740 29.556 30.300 -0.006 0.000 0.873 544 R HN 0.379 nan 8.270 nan 0.000 0.467 545 L N -0.650 120.552 121.223 -0.036 0.000 2.549 545 L HA -0.009 4.333 4.340 0.003 0.000 0.229 545 L C -0.052 176.999 176.870 0.300 0.000 1.158 545 L CA 0.984 55.844 54.840 0.033 0.000 0.842 545 L CB -0.826 41.167 42.059 -0.110 0.000 0.952 545 L HN 0.273 nan 8.230 nan 0.000 0.452 551 P HA -0.074 nan 4.420 nan 0.000 0.105 551 P C 0.509 177.819 177.300 0.018 0.000 0.856 551 P CA 2.235 65.343 63.100 0.013 0.000 1.007 551 P CB -1.041 30.667 31.700 0.014 0.000 1.630 552 G N 1.009 109.817 108.800 0.014 0.000 2.144 552 G HA2 0.236 4.198 3.960 0.003 0.000 0.218 552 G HA3 0.236 4.198 3.960 0.003 0.000 0.218 552 G C 0.400 175.311 174.900 0.018 0.000 0.988 552 G CA 0.115 45.225 45.100 0.016 0.000 0.659 552 G HN 1.429 nan 8.290 nan 0.000 0.522 553 G N -0.319 108.489 108.800 0.013 0.000 3.172 553 G HA2 0.336 4.298 3.960 0.003 0.000 0.686 553 G HA3 0.336 4.298 3.960 0.003 0.000 0.686 553 G C -1.428 173.484 174.900 0.020 0.000 1.009 553 G CA -0.001 45.104 45.100 0.008 0.000 0.787 553 G HN 1.078 nan 8.290 nan 0.000 0.559 554 P HA 0.279 nan 4.420 nan 0.000 0.271 554 P C 0.590 177.911 177.300 0.035 0.000 1.233 554 P CA -0.050 63.057 63.100 0.013 0.000 0.764 554 P CB 1.238 32.889 31.700 -0.081 0.000 0.825 555 V N 5.236 125.240 119.914 0.150 0.000 2.459 555 V HA -0.098 4.024 4.120 0.003 0.000 0.255 555 V C 1.637 177.856 176.094 0.209 0.000 1.015 555 V CA 0.328 62.747 62.300 0.199 0.000 1.163 555 V CB -1.623 30.366 31.823 0.277 0.000 1.109 555 V HN 0.653 nan 8.190 nan 0.000 0.473 556 N N 4.703 123.446 118.700 0.072 0.000 2.874 556 N HA -0.013 4.729 4.740 0.003 0.000 0.316 556 N C 0.250 175.822 175.510 0.104 0.000 1.205 556 N CA -0.384 52.673 53.050 0.012 0.000 1.180 556 N CB -0.066 38.394 38.487 -0.046 0.000 1.450 556 N HN 0.569 nan 8.380 nan 0.000 0.528 557 F N 2.154 122.124 119.950 0.034 0.000 2.527 557 F HA 0.030 4.559 4.527 0.003 0.000 0.316 557 F C 1.349 177.124 175.800 -0.042 0.000 1.258 557 F CA 0.186 58.208 58.000 0.037 0.000 1.314 557 F CB 0.420 39.517 39.000 0.162 0.000 1.200 557 F HN 0.291 nan 8.300 nan 0.000 0.577 558 L N 0.860 121.955 121.223 -0.213 0.000 3.737 558 L HA -0.311 4.030 4.340 0.003 0.000 0.418 558 L C 0.248 177.066 176.870 -0.087 0.000 1.216 558 L CA 0.459 55.234 54.840 -0.109 0.000 0.915 558 L CB -1.631 40.444 42.059 0.027 0.000 1.834 558 L HN 0.504 nan 8.230 nan 0.000 0.943 559 K N 1.457 121.798 120.400 -0.098 0.000 2.350 559 K HA 0.294 4.616 4.320 0.003 0.000 0.279 559 K C 1.385 177.957 176.600 -0.047 0.000 1.027 559 K CA 0.657 56.904 56.287 -0.066 0.000 0.969 559 K CB 0.905 33.371 32.500 -0.057 0.000 0.954 559 K HN 0.307 nan 8.250 nan 0.000 0.474 560 G N 3.634 112.416 108.800 -0.030 0.000 2.352 560 G HA2 -0.244 3.717 3.960 0.003 0.000 0.295 560 G HA3 -0.244 3.717 3.960 0.003 0.000 0.295 560 G C 0.039 174.947 174.900 0.013 0.000 0.991 560 G CA 0.711 45.809 45.100 -0.003 0.000 0.796 560 G HN 0.577 nan 8.290 nan 0.000 0.511 561 L N 1.476 122.704 121.223 0.009 0.000 2.511 561 L HA 0.327 4.668 4.340 0.003 0.000 0.239 561 L C 2.012 178.925 176.870 0.072 0.000 1.400 561 L CA 0.630 55.495 54.840 0.041 0.000 1.226 561 L CB -0.376 41.702 42.059 0.031 0.000 1.475 561 L HN 0.323 nan 8.230 nan 0.000 0.428 562 S N -0.839 114.897 115.700 0.060 0.000 2.393 562 S HA -0.330 4.141 4.470 0.003 0.000 0.234 562 S C 1.702 176.317 174.600 0.025 0.000 1.064 562 S CA 1.653 59.873 58.200 0.035 0.000 1.088 562 S CB -0.666 62.519 63.200 -0.025 0.000 0.939 562 S HN 0.640 nan 8.310 nan 0.000 0.448 563 H N 0.986 120.127 119.070 0.118 0.000 2.556 563 H HA 0.339 4.897 4.556 0.003 0.000 0.268 563 H C 0.627 176.116 175.328 0.270 0.000 0.996 563 H CA 0.055 56.212 56.048 0.182 0.000 1.157 563 H CB -0.353 29.479 29.762 0.117 0.000 1.355 563 H HN 0.424 nan 8.280 nan 0.000 0.597 564 L N 1.565 122.952 121.223 0.272 0.000 2.500 564 L HA -0.027 4.314 4.340 0.003 0.000 0.272 564 L C 0.808 177.849 176.870 0.284 0.000 1.149 564 L CA -0.119 54.867 54.840 0.244 0.000 0.897 564 L CB 0.505 42.649 42.059 0.140 0.000 1.178 564 L HN 0.097 nan 8.230 nan 0.000 0.473 565 H N 4.524 123.646 119.070 0.087 0.000 2.316 565 H HA 0.265 4.823 4.556 0.003 0.000 0.314 565 H C -0.023 175.349 175.328 0.074 0.000 1.057 565 H CA 0.794 56.891 56.048 0.080 0.000 1.402 565 H CB 0.244 30.049 29.762 0.072 0.000 1.443 565 H HN 0.580 nan 8.280 nan 0.000 0.559 566 I N 1.642 122.339 120.570 0.212 0.000 2.362 566 I HA 0.267 4.439 4.170 0.003 0.000 0.289 566 I C -1.407 174.788 176.117 0.129 0.000 0.994 566 I CA -1.015 60.368 61.300 0.139 0.000 1.158 566 I CB 0.890 38.959 38.000 0.115 0.000 1.315 566 I HN 0.007 nan 8.210 nan 0.000 0.451 567 L N 8.769 130.073 121.223 0.134 0.000 2.322 567 L HA 0.566 4.908 4.340 0.003 0.000 0.281 567 L C -1.064 175.889 176.870 0.138 0.000 1.014 567 L CA -0.058 54.874 54.840 0.154 0.000 0.815 567 L CB 1.407 43.592 42.059 0.209 0.000 1.247 567 L HN 0.609 nan 8.230 nan 0.000 0.421 568 N N 4.763 123.543 118.700 0.134 0.000 2.448 568 N HA 0.378 5.120 4.740 0.003 0.000 0.279 568 N C -1.009 174.562 175.510 0.101 0.000 1.025 568 N CA -0.259 52.851 53.050 0.100 0.000 0.898 568 N CB 1.612 40.141 38.487 0.071 0.000 1.303 568 N HN 0.633 nan 8.380 nan 0.000 0.495 569 L N 2.317 123.580 121.223 0.067 0.000 3.366 569 L HA 0.296 4.638 4.340 0.003 0.000 0.304 569 L C 0.613 177.468 176.870 -0.026 0.000 1.292 569 L CA -0.191 54.662 54.840 0.021 0.000 1.012 569 L CB -0.023 42.033 42.059 -0.005 0.000 1.414 569 L HN 0.578 nan 8.230 nan 0.000 0.603 570 E N 0.385 120.553 120.200 -0.053 0.000 2.442 570 E HA -0.015 4.336 4.350 0.003 0.000 0.262 570 E C 0.637 177.144 176.600 -0.155 0.000 1.004 570 E CA 0.545 56.894 56.400 -0.086 0.000 0.928 570 E CB 0.455 30.091 29.700 -0.107 0.000 0.937 570 E HN 0.209 nan 8.360 nan 0.000 0.446 571 S N 3.096 118.761 115.700 -0.059 0.000 3.255 571 S HA -0.265 4.207 4.470 0.003 0.000 0.358 571 S C -0.052 174.543 174.600 -0.009 0.000 0.915 571 S CA 1.420 59.626 58.200 0.009 0.000 1.335 571 S CB -1.438 61.865 63.200 0.172 0.000 0.938 571 S HN 0.751 nan 8.310 nan 0.000 0.550 572 N N 1.022 119.701 118.700 -0.035 0.000 2.241 572 N HA 0.396 5.138 4.740 0.003 0.000 0.238 572 N C 1.157 176.621 175.510 -0.077 0.000 1.244 572 N CA 0.277 53.291 53.050 -0.061 0.000 0.880 572 N CB 0.163 38.582 38.487 -0.113 0.000 1.179 572 N HN 0.931 nan 8.380 nan 0.000 0.513 573 G N 0.893 109.668 108.800 -0.042 0.000 2.179 573 G HA2 -0.273 3.689 3.960 0.003 0.000 0.260 573 G HA3 -0.273 3.689 3.960 0.003 0.000 0.260 573 G C -0.058 174.813 174.900 -0.049 0.000 0.977 573 G CA -0.113 44.961 45.100 -0.042 0.000 0.641 573 G HN 0.210 nan 8.290 nan 0.000 0.533 574 L N 2.050 123.234 121.223 -0.065 0.000 2.628 574 L HA 0.332 4.674 4.340 0.003 0.000 0.274 574 L C 1.429 178.310 176.870 0.018 0.000 1.209 574 L CA 1.412 56.231 54.840 -0.035 0.000 0.930 574 L CB 0.881 42.930 42.059 -0.017 0.000 1.183 574 L HN 0.484 nan 8.230 nan 0.000 0.492 575 D N 1.626 122.048 120.400 0.037 0.000 2.489 575 D HA 0.044 4.686 4.640 0.003 0.000 0.231 575 D C 0.194 176.525 176.300 0.052 0.000 1.114 575 D CA -0.012 54.010 54.000 0.038 0.000 0.842 575 D CB 0.311 41.124 40.800 0.022 0.000 1.133 575 D HN 0.492 nan 8.370 nan 0.000 0.506 576 E N 1.023 121.276 120.200 0.087 0.000 2.334 576 E HA 0.343 4.694 4.350 0.003 0.000 0.280 576 E C -1.285 175.398 176.600 0.138 0.000 0.899 576 E CA -0.822 55.623 56.400 0.076 0.000 0.813 576 E CB 1.256 30.985 29.700 0.048 0.000 1.318 576 E HN 0.080 nan 8.360 nan 0.000 0.399 577 I N 3.492 124.121 120.570 0.098 0.000 2.322 577 I HA 0.361 4.532 4.170 0.003 0.000 0.292 577 I C -2.074 173.984 176.117 -0.099 0.000 1.060 577 I CA -2.106 59.255 61.300 0.101 0.000 1.309 577 I CB -0.097 37.975 38.000 0.120 0.000 1.415 577 I HN 0.241 nan 8.210 nan 0.000 0.492 578 P HA 0.084 nan 4.420 nan 0.000 0.272 578 P C -0.149 176.988 177.300 -0.272 0.000 1.240 578 P CA -0.393 62.555 63.100 -0.254 0.000 0.791 578 P CB 0.833 32.333 31.700 -0.334 0.000 0.978 579 V N -2.047 117.742 119.914 -0.207 0.000 2.506 579 V HA 0.216 4.338 4.120 0.003 0.000 0.296 579 V C 1.419 177.406 176.094 -0.179 0.000 1.004 579 V CA 0.280 62.478 62.300 -0.170 0.000 1.150 579 V CB -1.459 30.294 31.823 -0.117 0.000 0.911 579 V HN 1.032 nan 8.190 nan 0.000 0.476 580 G N 3.098 111.809 108.800 -0.149 0.000 2.341 580 G HA2 -0.168 3.794 3.960 0.003 0.000 0.292 580 G HA3 -0.168 3.794 3.960 0.003 0.000 0.292 580 G C 0.379 175.172 174.900 -0.178 0.000 1.021 580 G CA 0.606 45.633 45.100 -0.122 0.000 0.905 580 G HN 2.311 nan 8.290 nan 0.000 0.508 581 V N -3.996 115.740 119.914 -0.297 0.000 3.630 581 V HA 0.554 4.676 4.120 0.003 0.000 0.273 581 V C 1.292 177.065 176.094 -0.534 0.000 1.248 581 V CA 0.808 62.795 62.300 -0.521 0.000 1.170 581 V CB -0.683 30.531 31.823 -1.015 0.000 0.899 581 V HN 0.318 nan 8.190 nan 0.000 0.457 582 F N 0.112 119.953 119.950 -0.181 0.000 2.764 582 F HA 0.483 5.012 4.527 0.003 0.000 0.310 582 F C 0.995 176.704 175.800 -0.152 0.000 1.124 582 F CA -0.786 57.155 58.000 -0.099 0.000 1.252 582 F CB 0.451 39.446 39.000 -0.008 0.000 1.010 582 F HN -0.021 nan 8.300 nan 0.000 0.518 583 K N 0.955 121.322 120.400 -0.054 0.000 2.270 583 K HA 0.111 4.433 4.320 0.003 0.000 0.276 583 K C 0.646 177.107 176.600 -0.232 0.000 1.023 583 K CA 0.273 56.470 56.287 -0.151 0.000 0.955 583 K CB 0.295 32.720 32.500 -0.125 0.000 0.975 583 K HN 0.168 nan 8.250 nan 0.000 0.471 584 N N 1.240 119.653 118.700 -0.478 0.000 2.936 584 N HA -0.220 4.522 4.740 0.003 0.000 0.236 584 N C -0.798 174.404 175.510 -0.512 0.000 0.930 584 N CA 0.888 53.591 53.050 -0.579 0.000 0.966 584 N CB -1.189 37.240 38.487 -0.098 0.000 1.090 584 N HN 0.499 nan 8.380 nan 0.000 0.592 585 L N 1.167 122.138 121.223 -0.420 0.000 2.389 585 L HA 0.283 4.625 4.340 0.003 0.000 0.265 585 L C 1.072 177.803 176.870 -0.232 0.000 1.167 585 L CA -0.350 54.389 54.840 -0.168 0.000 1.045 585 L CB -0.440 41.615 42.059 -0.006 0.000 1.351 585 L HN -0.085 nan 8.230 nan 0.000 0.419 586 F N 0.049 119.991 119.950 -0.013 0.000 2.179 586 F HA -0.020 4.509 4.527 0.003 0.000 0.292 586 F C 2.105 177.868 175.800 -0.063 0.000 1.089 586 F CA 0.650 58.632 58.000 -0.030 0.000 1.295 586 F CB 0.051 39.027 39.000 -0.041 0.000 1.041 586 F HN 0.379 nan 8.300 nan 0.000 0.487 587 E N 0.748 121.005 120.200 0.095 0.000 2.516 587 E HA -0.038 4.314 4.350 0.003 0.000 0.199 587 E C 0.506 176.969 176.600 -0.229 0.000 1.069 587 E CA -0.127 56.214 56.400 -0.099 0.000 0.876 587 E CB -0.077 29.555 29.700 -0.114 0.000 0.843 587 E HN 0.266 nan 8.360 nan 0.000 0.530 588 L N 1.532 122.708 121.223 -0.077 0.000 2.562 588 L HA -0.040 4.302 4.340 0.003 0.000 0.271 588 L C 1.057 177.890 176.870 -0.061 0.000 1.167 588 L CA 0.071 54.886 54.840 -0.043 0.000 0.917 588 L CB 0.542 42.624 42.059 0.037 0.000 1.187 588 L HN -0.148 nan 8.230 nan 0.000 0.482 589 K N 2.021 122.385 120.400 -0.061 0.000 2.168 589 K HA 0.109 4.430 4.320 0.003 0.000 0.201 589 K C 0.134 176.745 176.600 0.017 0.000 1.049 589 K CA 0.473 56.748 56.287 -0.020 0.000 0.974 589 K CB 0.390 32.897 32.500 0.011 0.000 0.792 589 K HN 0.515 nan 8.250 nan 0.000 0.463 590 S N 0.196 115.921 115.700 0.042 0.000 2.733 590 S HA 0.515 4.987 4.470 0.003 0.000 0.294 590 S C -0.966 173.661 174.600 0.046 0.000 1.149 590 S CA -0.858 57.365 58.200 0.038 0.000 1.034 590 S CB 0.232 63.466 63.200 0.056 0.000 1.015 590 S HN 0.115 nan 8.310 nan 0.000 0.486 591 I N 4.262 124.837 120.570 0.009 0.000 2.437 591 I HA 0.473 4.645 4.170 0.003 0.000 0.298 591 I C -0.179 175.959 176.117 0.035 0.000 0.984 591 I CA -0.763 60.553 61.300 0.026 0.000 1.214 591 I CB 1.742 39.694 38.000 -0.080 0.000 1.365 591 I HN 0.634 nan 8.210 nan 0.000 0.469 592 N N 6.776 125.520 118.700 0.073 0.000 2.540 592 N HA 0.384 5.126 4.740 0.003 0.000 0.275 592 N C -0.939 174.619 175.510 0.079 0.000 1.053 592 N CA -0.423 52.667 53.050 0.067 0.000 0.876 592 N CB 1.017 39.539 38.487 0.058 0.000 1.284 592 N HN 0.590 nan 8.380 nan 0.000 0.518 593 L N 2.058 123.333 121.223 0.088 0.000 3.110 593 L HA 0.490 4.832 4.340 0.003 0.000 0.266 593 L C 1.351 178.264 176.870 0.072 0.000 1.257 593 L CA -0.706 54.193 54.840 0.097 0.000 1.038 593 L CB 0.284 42.435 42.059 0.153 0.000 1.395 593 L HN 0.574 nan 8.230 nan 0.000 0.566 594 G N -0.277 108.556 108.800 0.055 0.000 2.744 594 G HA2 0.153 4.114 3.960 0.003 0.000 0.257 594 G HA3 0.153 4.114 3.960 0.003 0.000 0.257 594 G C 0.803 175.719 174.900 0.026 0.000 1.244 594 G CA -0.471 44.655 45.100 0.044 0.000 0.916 594 G HN 0.364 nan 8.290 nan 0.000 0.564 595 L N -0.415 120.818 121.223 0.016 0.000 3.851 595 L HA -0.203 4.139 4.340 0.003 0.000 0.438 595 L C 0.327 177.206 176.870 0.014 0.000 1.171 595 L CA 0.199 55.045 54.840 0.011 0.000 0.895 595 L CB -1.433 40.644 42.059 0.031 0.000 1.800 595 L HN 0.490 nan 8.230 nan 0.000 0.960 596 N N -0.295 118.415 118.700 0.017 0.000 2.653 596 N HA 0.429 5.170 4.740 0.003 0.000 0.294 596 N C -0.155 175.364 175.510 0.015 0.000 1.305 596 N CA -0.716 52.345 53.050 0.018 0.000 0.827 596 N CB 0.945 39.451 38.487 0.032 0.000 1.415 596 N HN -0.004 nan 8.380 nan 0.000 0.546 597 N N 0.828 119.538 118.700 0.017 0.000 3.044 597 N HA 0.369 5.111 4.740 0.003 0.000 0.254 597 N C -1.107 174.418 175.510 0.025 0.000 1.253 597 N CA -0.045 53.013 53.050 0.014 0.000 0.944 597 N CB 0.330 38.822 38.487 0.009 0.000 1.217 597 N HN 0.294 nan 8.380 nan 0.000 0.498 598 L N 1.897 123.140 121.223 0.033 0.000 2.366 598 L HA 0.372 4.714 4.340 0.003 0.000 0.266 598 L C 0.618 177.513 176.870 0.043 0.000 1.010 598 L CA -0.448 54.421 54.840 0.048 0.000 0.879 598 L CB 0.952 43.060 42.059 0.082 0.000 1.228 598 L HN 0.315 nan 8.230 nan 0.000 0.439 599 N N 0.833 119.549 118.700 0.026 0.000 2.445 599 N HA -0.006 4.735 4.740 0.003 0.000 0.204 599 N C 0.102 175.622 175.510 0.017 0.000 1.098 599 N CA -0.143 52.922 53.050 0.024 0.000 0.859 599 N CB 0.279 38.772 38.487 0.009 0.000 1.249 599 N HN 0.217 nan 8.380 nan 0.000 0.462 600 K N 1.346 121.745 120.400 -0.001 0.000 2.171 600 K HA 0.186 4.508 4.320 0.003 0.000 0.274 600 K C -0.897 175.665 176.600 -0.064 0.000 1.110 600 K CA -0.168 56.101 56.287 -0.029 0.000 0.952 600 K CB 0.431 32.914 32.500 -0.029 0.000 1.309 600 K HN 0.128 nan 8.250 nan 0.000 0.414 601 L N 3.623 124.792 121.223 -0.090 0.000 2.264 601 L HA 0.229 4.571 4.340 0.003 0.000 0.287 601 L C 0.414 177.141 176.870 -0.238 0.000 1.039 601 L CA -0.262 54.462 54.840 -0.194 0.000 0.829 601 L CB 0.597 42.506 42.059 -0.250 0.000 1.211 601 L HN 0.468 nan 8.230 nan 0.000 0.427 602 E N 4.540 124.594 120.200 -0.243 0.000 2.366 602 E HA 0.138 4.490 4.350 0.003 0.000 0.266 602 E C -2.100 174.287 176.600 -0.355 0.000 1.015 602 E CA -1.752 54.500 56.400 -0.247 0.000 0.906 602 E CB 0.557 30.143 29.700 -0.190 0.000 0.979 602 E HN 0.262 nan 8.360 nan 0.000 0.443 603 P HA -0.119 nan 4.420 nan 0.000 0.259 603 P C -0.355 176.518 177.300 -0.711 0.000 1.163 603 P CA 0.915 63.579 63.100 -0.727 0.000 0.760 603 P CB -0.088 31.056 31.700 -0.926 0.000 0.762 604 F N -0.061 119.723 119.950 -0.277 0.000 2.359 604 F HA -0.214 4.315 4.527 0.003 0.000 0.297 604 F C 1.591 177.206 175.800 -0.310 0.000 0.635 604 F CA -0.572 57.280 58.000 -0.247 0.000 1.791 604 F CB -1.620 37.274 39.000 -0.176 0.000 2.250 604 F HN 0.266 nan 8.300 nan 0.000 0.294 605 I N -1.562 118.789 120.570 -0.365 0.000 2.286 605 I HA -0.090 4.082 4.170 0.003 0.000 0.248 605 I C 0.842 176.635 176.117 -0.539 0.000 1.115 605 I CA 1.710 62.684 61.300 -0.543 0.000 1.392 605 I CB -1.095 36.350 38.000 -0.925 0.000 1.065 605 I HN 0.026 nan 8.210 nan 0.000 0.418 606 F N 2.197 122.033 119.950 -0.191 0.000 2.361 606 F HA 0.478 5.007 4.527 0.003 0.000 0.364 606 F C 0.720 176.453 175.800 -0.112 0.000 1.117 606 F CA -0.962 56.914 58.000 -0.206 0.000 1.071 606 F CB 0.940 39.775 39.000 -0.274 0.000 1.188 606 F HN -0.118 nan 8.300 nan 0.000 0.464 607 D N 0.612 121.047 120.400 0.059 0.000 2.559 607 D HA 0.007 4.649 4.640 0.003 0.000 0.296 607 D C 0.907 177.206 176.300 -0.002 0.000 1.118 607 D CA 0.501 54.507 54.000 0.011 0.000 0.967 607 D CB 0.084 40.852 40.800 -0.054 0.000 1.607 607 D HN 0.401 nan 8.370 nan 0.000 0.493 608 D N 0.591 120.950 120.400 -0.070 0.000 2.349 608 D HA 0.011 4.653 4.640 0.003 0.000 0.215 608 D C 0.111 176.374 176.300 -0.061 0.000 1.016 608 D CA 0.445 54.353 54.000 -0.153 0.000 0.870 608 D CB 0.096 40.516 40.800 -0.633 0.000 0.917 608 D HN 0.024 nan 8.370 nan 0.000 0.524 609 Q N 0.152 119.941 119.800 -0.020 0.000 3.027 609 Q HA 0.187 4.529 4.340 0.003 0.000 0.260 609 Q C 0.549 176.567 176.000 0.030 0.000 1.379 609 Q CA 0.072 55.870 55.803 -0.008 0.000 1.038 609 Q CB -0.077 28.624 28.738 -0.060 0.000 1.578 609 Q HN 0.140 nan 8.270 nan 0.000 0.571 610 T N -4.723 109.874 114.554 0.071 0.000 3.105 610 T HA 0.141 4.493 4.350 0.003 0.000 0.253 610 T C 1.200 175.950 174.700 0.083 0.000 1.047 610 T CA 0.062 62.215 62.100 0.089 0.000 0.944 610 T CB 0.333 69.267 68.868 0.110 0.000 1.016 610 T HN 0.231 nan 8.240 nan 0.000 0.544 611 S N 0.104 115.843 115.700 0.066 0.000 2.666 611 S HA 0.365 4.837 4.470 0.003 0.000 0.239 611 S C 0.383 174.999 174.600 0.028 0.000 1.031 611 S CA -0.616 57.613 58.200 0.049 0.000 1.015 611 S CB -0.295 62.930 63.200 0.041 0.000 0.981 611 S HN 0.436 nan 8.310 nan 0.000 0.547 612 L N 2.922 124.156 121.223 0.018 0.000 2.593 612 L HA 0.181 4.523 4.340 0.003 0.000 0.287 612 L C 1.056 177.940 176.870 0.023 0.000 1.243 612 L CA 0.956 55.795 54.840 -0.002 0.000 0.890 612 L CB 0.422 42.456 42.059 -0.041 0.000 1.134 612 L HN 0.218 nan 8.230 nan 0.000 0.502 613 R N 1.141 121.653 120.500 0.021 0.000 2.316 613 R HA 0.259 4.601 4.340 0.003 0.000 0.201 613 R C -0.675 175.648 176.300 0.037 0.000 0.888 613 R CA 0.715 56.837 56.100 0.037 0.000 1.041 613 R CB 0.436 30.760 30.300 0.040 0.000 1.115 613 R HN 0.850 nan 8.270 nan 0.000 0.559 614 S N -0.045 115.670 115.700 0.025 0.000 2.605 614 S HA 0.345 4.817 4.470 0.003 0.000 0.279 614 S C -1.453 173.156 174.600 0.014 0.000 1.166 614 S CA -1.041 57.177 58.200 0.030 0.000 0.975 614 S CB 1.527 64.753 63.200 0.043 0.000 1.111 614 S HN 0.041 nan 8.310 nan 0.000 0.465 615 L N 2.758 123.990 121.223 0.015 0.000 2.331 615 L HA 0.723 5.065 4.340 0.003 0.000 0.275 615 L C -0.614 176.294 176.870 0.063 0.000 1.022 615 L CA -0.270 54.572 54.840 0.004 0.000 0.812 615 L CB 1.689 43.740 42.059 -0.013 0.000 1.257 615 L HN 0.946 nan 8.230 nan 0.000 0.435 616 N N 5.129 123.868 118.700 0.065 0.000 2.480 616 N HA 0.317 5.058 4.740 0.003 0.000 0.289 616 N C -1.282 174.291 175.510 0.105 0.000 1.073 616 N CA -0.247 52.860 53.050 0.095 0.000 0.885 616 N CB 1.321 39.856 38.487 0.081 0.000 1.421 616 N HN 0.747 nan 8.380 nan 0.000 0.503 617 L N 3.203 124.503 121.223 0.128 0.000 3.347 617 L HA 0.145 4.487 4.340 0.003 0.000 0.306 617 L C 0.837 177.757 176.870 0.083 0.000 1.301 617 L CA -0.326 54.589 54.840 0.126 0.000 0.985 617 L CB 0.495 42.669 42.059 0.192 0.000 1.400 617 L HN 0.582 nan 8.230 nan 0.000 0.601 618 Q N 0.451 120.300 119.800 0.082 0.000 2.524 618 Q HA 0.082 4.424 4.340 0.003 0.000 0.246 618 Q C -0.003 176.022 176.000 0.043 0.000 1.063 618 Q CA -0.206 55.643 55.803 0.075 0.000 0.945 618 Q CB 0.386 29.196 28.738 0.121 0.000 1.292 618 Q HN 0.129 nan 8.270 nan 0.000 0.518 619 K N 0.068 120.498 120.400 0.050 0.000 2.960 619 K HA -0.273 4.049 4.320 0.003 0.000 0.259 619 K C -0.685 175.903 176.600 -0.019 0.000 1.025 619 K CA 0.952 57.234 56.287 -0.009 0.000 0.756 619 K CB -1.613 30.837 32.500 -0.084 0.000 1.221 619 K HN 0.644 nan 8.250 nan 0.000 0.483 620 N N -0.106 118.581 118.700 -0.022 0.000 2.547 620 N HA 0.408 5.150 4.740 0.003 0.000 0.301 620 N C 0.136 175.619 175.510 -0.045 0.000 1.328 620 N CA -0.334 52.705 53.050 -0.019 0.000 0.932 620 N CB 0.301 38.789 38.487 0.002 0.000 1.104 620 N HN -0.036 nan 8.380 nan 0.000 0.548 621 L N 0.588 121.789 121.223 -0.037 0.000 3.186 621 L HA 0.453 4.795 4.340 0.003 0.000 0.292 621 L C -0.860 175.976 176.870 -0.056 0.000 1.303 621 L CA 0.052 54.866 54.840 -0.044 0.000 0.940 621 L CB -0.268 41.782 42.059 -0.015 0.000 1.358 621 L HN 0.386 nan 8.230 nan 0.000 0.581 622 I N -0.318 120.190 120.570 -0.104 0.000 2.436 622 I HA 0.056 4.228 4.170 0.003 0.000 0.289 622 I C 1.308 177.342 176.117 -0.138 0.000 1.083 622 I CA 0.288 61.531 61.300 -0.096 0.000 1.372 622 I CB 0.984 38.922 38.000 -0.103 0.000 1.408 622 I HN 0.293 nan 8.210 nan 0.000 0.516 623 T N 3.352 117.885 114.554 -0.035 0.000 2.755 623 T HA -0.006 4.346 4.350 0.003 0.000 0.251 623 T C 0.735 175.480 174.700 0.076 0.000 1.044 623 T CA 0.636 62.742 62.100 0.011 0.000 1.154 623 T CB 0.080 68.964 68.868 0.027 0.000 0.866 623 T HN 0.709 nan 8.240 nan 0.000 0.416 624 S N 0.553 116.291 115.700 0.064 0.000 2.566 624 S HA 0.676 5.148 4.470 0.003 0.000 0.298 624 S C -0.917 173.695 174.600 0.020 0.000 1.083 624 S CA -0.925 57.315 58.200 0.068 0.000 0.978 624 S CB 2.191 65.424 63.200 0.055 0.000 1.073 624 S HN 0.055 nan 8.310 nan 0.000 0.491 625 V N 2.615 122.489 119.914 -0.067 0.000 2.284 625 V HA 0.389 4.511 4.120 0.003 0.000 0.274 625 V C -0.286 175.829 176.094 0.034 0.000 1.023 625 V CA -0.552 61.562 62.300 -0.309 0.000 0.808 625 V CB 0.436 31.731 31.823 -0.880 0.000 1.035 625 V HN 0.829 nan 8.190 nan 0.000 0.445 626 E N 2.805 123.074 120.200 0.115 0.000 2.314 626 E HA 0.274 4.626 4.350 0.003 0.000 0.262 626 E C 0.770 177.111 176.600 -0.432 0.000 1.093 626 E CA -0.509 55.850 56.400 -0.067 0.000 0.908 626 E CB 1.883 31.518 29.700 -0.108 0.000 1.091 626 E HN 0.459 nan 8.360 nan 0.000 0.425 627 K N 0.964 120.847 120.400 -0.862 0.000 2.137 627 K HA -0.110 4.211 4.320 0.003 0.000 0.202 627 K C 0.836 177.002 176.600 -0.723 0.000 1.052 627 K CA 1.284 56.715 56.287 -1.425 0.000 0.961 627 K CB 0.060 31.542 32.500 -1.697 0.000 0.741 627 K HN 0.363 nan 8.250 nan 0.000 0.452 628 D N 0.297 120.401 120.400 -0.494 0.000 2.265 628 D HA -0.152 4.489 4.640 0.003 0.000 0.208 628 D C 1.674 177.735 176.300 -0.399 0.000 0.977 628 D CA 0.826 54.587 54.000 -0.399 0.000 0.871 628 D CB -0.133 40.333 40.800 -0.558 0.000 0.925 628 D HN 0.064 nan 8.370 nan 0.000 0.485 629 V N -0.721 118.928 119.914 -0.443 0.000 2.398 629 V HA 0.010 4.132 4.120 0.003 0.000 0.236 629 V C 1.605 177.411 176.094 -0.481 0.000 1.054 629 V CA 0.790 62.785 62.300 -0.508 0.000 1.060 629 V CB -0.475 30.969 31.823 -0.631 0.000 0.707 629 V HN 0.050 nan 8.190 nan 0.000 0.480 630 F N 1.271 120.966 119.950 -0.426 0.000 2.797 630 F HA 0.291 4.820 4.527 0.003 0.000 0.302 630 F C 2.067 177.362 175.800 -0.842 0.000 1.130 630 F CA 0.522 58.147 58.000 -0.624 0.000 1.387 630 F CB -1.141 37.223 39.000 -1.060 0.000 1.107 630 F HN 0.164 nan 8.300 nan 0.000 0.577 631 G N 1.963 110.436 108.800 -0.544 0.000 2.701 631 G HA2 -0.227 3.734 3.960 0.003 0.000 0.215 631 G HA3 -0.227 3.734 3.960 0.003 0.000 0.215 631 G C -0.527 174.345 174.900 -0.047 0.000 1.297 631 G CA 0.828 45.713 45.100 -0.357 0.000 0.807 631 G HN 0.169 nan 8.290 nan 0.000 0.608 632 P HA -0.146 nan 4.420 nan 0.000 0.220 632 P C -1.163 176.202 177.300 0.108 0.000 1.155 632 P CA 2.730 65.871 63.100 0.068 0.000 0.880 632 P CB -0.652 31.083 31.700 0.059 0.000 0.790 633 P HA -0.085 nan 4.420 nan 0.000 0.221 633 P C 1.316 178.783 177.300 0.279 0.000 1.155 633 P CA 1.087 64.257 63.100 0.117 0.000 0.812 633 P CB -0.356 31.319 31.700 -0.042 0.000 0.801 634 F N 1.077 121.025 119.950 -0.003 0.000 2.333 634 F HA -0.095 4.433 4.527 0.003 0.000 0.300 634 F C 2.559 178.501 175.800 0.237 0.000 1.083 634 F CA 0.471 58.464 58.000 -0.012 0.000 1.395 634 F CB -1.222 37.531 39.000 -0.412 0.000 1.056 634 F HN -0.074 nan 8.300 nan 0.000 0.529 635 Q N 0.387 120.408 119.800 0.369 0.000 1.943 635 Q HA -0.244 4.098 4.340 0.003 0.000 0.213 635 Q C 1.094 177.253 176.000 0.265 0.000 1.017 635 Q CA 1.746 57.731 55.803 0.304 0.000 0.874 635 Q CB -0.751 28.109 28.738 0.203 0.000 0.960 635 Q HN 0.394 nan 8.270 nan 0.000 0.417 636 N N 0.428 119.245 118.700 0.195 0.000 2.273 636 N HA 0.107 4.848 4.740 0.003 0.000 0.231 636 N C -0.070 175.523 175.510 0.138 0.000 1.134 636 N CA -0.155 52.986 53.050 0.151 0.000 0.856 636 N CB 0.330 38.882 38.487 0.108 0.000 1.068 636 N HN 0.088 nan 8.380 nan 0.000 0.510 637 L N 1.258 122.587 121.223 0.177 0.000 2.506 637 L HA -0.005 4.337 4.340 0.003 0.000 0.281 637 L C 1.357 178.292 176.870 0.109 0.000 1.228 637 L CA 0.783 55.705 54.840 0.138 0.000 0.850 637 L CB 0.303 42.455 42.059 0.154 0.000 1.110 637 L HN 0.138 nan 8.230 nan 0.000 0.496 638 N N -0.232 118.512 118.700 0.073 0.000 2.508 638 N HA 0.064 4.806 4.740 0.003 0.000 0.186 638 N C -0.788 174.747 175.510 0.042 0.000 1.034 638 N CA 0.592 53.672 53.050 0.050 0.000 0.885 638 N CB 0.351 38.864 38.487 0.042 0.000 1.135 638 N HN 0.715 nan 8.380 nan 0.000 0.435 639 S N 0.665 116.395 115.700 0.049 0.000 2.649 639 S HA 0.406 4.878 4.470 0.003 0.000 0.274 639 S C -1.177 173.462 174.600 0.065 0.000 1.176 639 S CA -0.946 57.285 58.200 0.051 0.000 0.988 639 S CB 1.596 64.825 63.200 0.048 0.000 1.071 639 S HN 0.172 nan 8.310 nan 0.000 0.478 640 L N 1.899 123.170 121.223 0.081 0.000 2.352 640 L HA 0.924 5.266 4.340 0.003 0.000 0.269 640 L C -1.146 175.835 176.870 0.185 0.000 1.034 640 L CA 0.089 54.991 54.840 0.104 0.000 0.806 640 L CB 1.707 43.809 42.059 0.072 0.000 1.244 640 L HN 0.911 nan 8.230 nan 0.000 0.447 641 D N 3.788 124.321 120.400 0.221 0.000 2.365 641 D HA 0.312 4.953 4.640 0.003 0.000 0.235 641 D C -1.024 175.424 176.300 0.247 0.000 1.368 641 D CA -0.048 54.114 54.000 0.270 0.000 1.001 641 D CB 0.777 41.691 40.800 0.191 0.000 1.364 641 D HN 0.601 nan 8.370 nan 0.000 0.577 642 M N 3.566 123.348 119.600 0.304 0.000 3.002 642 M HA 0.176 4.658 4.480 0.003 0.000 0.398 642 M C 0.207 176.407 176.300 -0.166 0.000 1.366 642 M CA -0.575 54.817 55.300 0.153 0.000 0.824 642 M CB 0.658 33.426 32.600 0.281 0.000 1.414 642 M HN 0.181 nan 8.290 nan 0.000 0.501 643 R N -0.625 119.655 120.500 -0.366 0.000 2.582 643 R HA 0.457 4.799 4.340 0.003 0.000 0.271 643 R C -0.473 175.688 176.300 -0.232 0.000 1.078 643 R CA -0.169 55.496 56.100 -0.724 0.000 1.127 643 R CB 0.283 30.199 30.300 -0.641 0.000 1.038 643 R HN 0.252 nan 8.270 nan 0.000 0.500 644 F N -2.475 117.323 119.950 -0.254 0.000 2.582 644 F HA -0.256 4.273 4.527 0.003 0.000 0.350 644 F C -0.502 175.160 175.800 -0.231 0.000 0.615 644 F CA 0.738 58.632 58.000 -0.176 0.000 1.488 644 F CB -2.011 36.897 39.000 -0.154 0.000 1.958 644 F HN 0.655 nan 8.300 nan 0.000 0.294 645 N N 1.278 119.791 118.700 -0.312 0.000 2.493 645 N HA 0.411 5.153 4.740 0.003 0.000 0.275 645 N C -2.443 172.786 175.510 -0.467 0.000 1.186 645 N CA -1.537 51.232 53.050 -0.470 0.000 0.978 645 N CB 0.450 38.460 38.487 -0.795 0.000 1.184 645 N HN -0.218 nan 8.380 nan 0.000 0.487 646 P HA 0.103 nan 4.420 nan 0.000 0.235 646 P C -0.814 176.445 177.300 -0.068 0.000 1.765 646 P CA -0.045 62.994 63.100 -0.102 0.000 1.034 646 P CB -0.507 31.172 31.700 -0.035 0.000 1.984 647 F N 1.203 121.162 119.950 0.016 0.000 2.608 647 F HA 0.036 4.564 4.527 0.003 0.000 0.380 647 F C 1.344 177.141 175.800 -0.005 0.000 1.083 647 F CA 0.261 58.261 58.000 0.000 0.000 1.266 647 F CB 0.090 39.099 39.000 0.016 0.000 1.076 647 F HN 0.087 nan 8.300 nan 0.000 0.574 648 D N 2.731 123.246 120.400 0.191 0.000 2.373 648 D HA 0.162 4.804 4.640 0.003 0.000 0.227 648 D C -0.782 175.473 176.300 -0.075 0.000 1.091 648 D CA -0.390 53.654 54.000 0.074 0.000 0.840 648 D CB 0.614 41.451 40.800 0.061 0.000 1.060 648 D HN 0.485 nan 8.370 nan 0.000 0.502 649 c N 4.711 123.223 118.600 -0.146 0.000 3.247 649 c HA 0.334 4.906 4.570 0.003 0.000 0.573 649 c C 0.706 174.489 174.090 -0.512 0.000 1.106 649 c CA -0.109 55.885 56.329 -0.558 0.000 1.209 649 c CB -2.383 39.776 42.510 -0.586 0.000 1.460 649 c HN 0.642 nan 8.230 nan 0.000 0.634 650 T N -3.015 111.351 114.554 -0.313 0.000 2.831 650 T HA 0.300 4.652 4.350 0.003 0.000 0.287 650 T C 0.634 175.341 174.700 0.011 0.000 1.070 650 T CA -0.503 61.580 62.100 -0.028 0.000 1.010 650 T CB 0.985 69.882 68.868 0.048 0.000 1.264 650 T HN 0.228 nan 8.240 nan 0.000 0.532 651 c N -0.106 118.578 118.600 0.141 0.000 2.594 651 c HA 0.264 4.836 4.570 0.003 0.000 0.265 651 c C 2.429 176.584 174.090 0.107 0.000 1.351 651 c CA 0.152 56.576 56.329 0.158 0.000 1.744 651 c CB -1.353 41.260 42.510 0.172 0.000 1.890 651 c HN 1.045 nan 8.230 nan 0.000 0.551 652 E N 1.495 121.740 120.200 0.076 0.000 2.347 652 E HA -0.113 4.239 4.350 0.003 0.000 0.196 652 E C 1.854 178.489 176.600 0.058 0.000 1.008 652 E CA 1.394 57.830 56.400 0.060 0.000 0.852 652 E CB 0.306 30.033 29.700 0.046 0.000 0.783 652 E HN 0.816 nan 8.360 nan 0.000 0.505 653 S N 0.141 115.872 115.700 0.051 0.000 3.036 653 S HA 0.003 4.475 4.470 0.003 0.000 0.194 653 S C 1.946 176.590 174.600 0.074 0.000 0.797 653 S CA 0.149 58.379 58.200 0.049 0.000 0.822 653 S CB -0.833 62.382 63.200 0.026 0.000 0.810 653 S HN 0.343 nan 8.310 nan 0.000 0.629 654 I N 0.827 121.393 120.570 -0.007 0.000 3.291 654 I HA 0.135 4.307 4.170 0.003 0.000 0.279 654 I C 1.956 178.139 176.117 0.110 0.000 1.294 654 I CA 0.409 61.721 61.300 0.019 0.000 1.428 654 I CB -0.477 37.378 38.000 -0.242 0.000 1.070 654 I HN 0.192 nan 8.210 nan 0.000 0.478 655 S N 1.671 117.456 115.700 0.141 0.000 2.392 655 S HA -0.284 4.188 4.470 0.003 0.000 0.225 655 S C 1.481 176.215 174.600 0.224 0.000 1.041 655 S CA 2.533 60.867 58.200 0.223 0.000 1.100 655 S CB -0.685 62.646 63.200 0.219 0.000 1.029 655 S HN 0.861 nan 8.310 nan 0.000 0.424 656 W N 1.093 122.470 121.300 0.127 0.000 2.342 656 W HA -0.170 4.492 4.660 0.003 0.000 0.297 656 W C 1.879 178.533 176.519 0.225 0.000 1.213 656 W CA 1.309 58.738 57.345 0.140 0.000 1.251 656 W CB -0.524 28.993 29.460 0.094 0.000 1.136 656 W HN 0.302 nan 8.180 nan 0.000 0.526 657 F N 0.528 120.503 119.950 0.041 0.000 2.060 657 F HA -0.174 4.354 4.527 0.003 0.000 0.295 657 F C 2.302 178.032 175.800 -0.116 0.000 1.120 657 F CA 2.324 60.270 58.000 -0.090 0.000 1.205 657 F CB -1.132 37.907 39.000 0.065 0.000 0.986 657 F HN -0.244 nan 8.300 nan 0.000 0.470 658 V N 1.334 121.162 119.914 -0.142 0.000 2.370 658 V HA -0.406 3.715 4.120 0.003 0.000 0.252 658 V C 2.314 178.259 176.094 -0.249 0.000 1.068 658 V CA 2.193 64.353 62.300 -0.234 0.000 1.061 658 V CB -1.028 30.802 31.823 0.012 0.000 0.656 658 V HN 0.413 nan 8.190 nan 0.000 0.455 659 N N -1.154 117.427 118.700 -0.198 0.000 2.080 659 N HA -0.217 4.525 4.740 0.003 0.000 0.189 659 N C 1.542 176.886 175.510 -0.275 0.000 1.036 659 N CA 1.848 54.772 53.050 -0.210 0.000 0.846 659 N CB -0.473 37.909 38.487 -0.175 0.000 1.015 659 N HN 0.676 nan 8.380 nan 0.000 0.423 660 W N 2.496 123.447 121.300 -0.581 0.000 2.305 660 W HA -0.129 4.533 4.660 0.003 0.000 0.308 660 W C 2.084 178.344 176.519 -0.431 0.000 1.226 660 W CA 1.339 58.369 57.345 -0.525 0.000 1.253 660 W CB -0.569 28.503 29.460 -0.647 0.000 1.146 660 W HN 0.001 nan 8.180 nan 0.000 0.507 661 I N 0.345 120.640 120.570 -0.458 0.000 2.127 661 I HA -0.402 3.769 4.170 0.003 0.000 0.241 661 I C 2.636 178.447 176.117 -0.510 0.000 1.075 661 I CA 1.882 62.835 61.300 -0.577 0.000 1.334 661 I CB -0.954 36.693 38.000 -0.589 0.000 1.040 661 I HN 0.097 nan 8.210 nan 0.000 0.405 662 N N 1.384 119.850 118.700 -0.391 0.000 2.149 662 N HA -0.232 4.509 4.740 0.003 0.000 0.188 662 N C 1.539 176.830 175.510 -0.365 0.000 1.019 662 N CA 1.666 54.526 53.050 -0.317 0.000 0.857 662 N CB 0.035 38.388 38.487 -0.224 0.000 0.997 662 N HN 0.605 nan 8.380 nan 0.000 0.426 663 Q N -0.806 118.753 119.800 -0.401 0.000 2.189 663 Q HA 0.202 4.544 4.340 0.003 0.000 0.221 663 Q C -0.274 175.407 176.000 -0.533 0.000 0.848 663 Q CA -0.276 55.288 55.803 -0.398 0.000 1.007 663 Q CB 0.382 28.970 28.738 -0.249 0.000 1.116 663 Q HN -0.079 nan 8.270 nan 0.000 0.481 664 T N -0.491 113.602 114.554 -0.769 0.000 2.916 664 T HA 0.295 4.647 4.350 0.003 0.000 0.292 664 T C -0.957 173.289 174.700 -0.755 0.000 1.055 664 T CA -0.541 61.049 62.100 -0.851 0.000 1.009 664 T CB 1.410 69.331 68.868 -1.579 0.000 1.118 664 T HN 0.303 nan 8.240 nan 0.000 0.497 665 H N 2.243 121.074 119.070 -0.398 0.000 2.481 665 H HA 0.302 4.860 4.556 0.003 0.000 0.273 665 H C -0.068 175.119 175.328 -0.235 0.000 1.145 665 H CA -0.206 55.673 56.048 -0.282 0.000 0.964 665 H CB 0.004 29.658 29.762 -0.180 0.000 1.722 665 H HN 0.457 nan 8.280 nan 0.000 0.573 666 T N 1.476 115.895 114.554 -0.224 0.000 2.729 666 T HA -0.003 4.349 4.350 0.003 0.000 0.296 666 T C 0.879 175.516 174.700 -0.104 0.000 0.928 666 T CA -0.559 61.472 62.100 -0.115 0.000 1.045 666 T CB 0.823 69.653 68.868 -0.064 0.000 0.902 666 T HN 0.297 nan 8.240 nan 0.000 0.500 667 N N 3.736 122.411 118.700 -0.042 0.000 2.374 667 N HA -0.018 4.724 4.740 0.003 0.000 0.269 667 N C -0.779 174.721 175.510 -0.017 0.000 1.310 667 N CA 0.446 53.477 53.050 -0.032 0.000 0.877 667 N CB 0.068 38.549 38.487 -0.010 0.000 1.096 667 N HN 0.579 nan 8.380 nan 0.000 0.484 668 I N 2.178 122.721 120.570 -0.045 0.000 2.466 668 I HA 0.030 4.201 4.170 0.003 0.000 0.279 668 I C 0.469 176.582 176.117 -0.006 0.000 1.033 668 I CA -0.496 60.792 61.300 -0.019 0.000 1.123 668 I CB 1.279 39.209 38.000 -0.116 0.000 1.237 668 I HN 0.353 nan 8.210 nan 0.000 0.460 669 S N 4.162 119.909 115.700 0.079 0.000 2.573 669 S HA 0.041 4.513 4.470 0.003 0.000 0.277 669 S C 0.874 175.574 174.600 0.168 0.000 1.346 669 S CA 0.370 58.631 58.200 0.102 0.000 1.034 669 S CB 0.245 63.522 63.200 0.129 0.000 0.879 669 S HN 0.742 nan 8.310 nan 0.000 0.528 670 E N 0.520 120.793 120.200 0.122 0.000 2.450 670 E HA -0.244 4.108 4.350 0.003 0.000 0.244 670 E C 0.556 177.245 176.600 0.148 0.000 1.226 670 E CA 0.591 57.068 56.400 0.129 0.000 0.720 670 E CB -1.326 28.521 29.700 0.247 0.000 1.254 670 E HN 0.584 nan 8.360 nan 0.000 0.399 671 L N -0.427 120.754 121.223 -0.071 0.000 2.187 671 L HA -0.191 4.151 4.340 0.003 0.000 0.213 671 L C 1.784 178.553 176.870 -0.169 0.000 1.100 671 L CA 2.426 57.023 54.840 -0.405 0.000 0.765 671 L CB -0.178 41.599 42.059 -0.470 0.000 0.904 671 L HN 0.209 nan 8.230 nan 0.000 0.437 672 S N -1.407 114.229 115.700 -0.106 0.000 2.368 672 S HA -0.115 4.356 4.470 0.003 0.000 0.224 672 S C 1.637 176.174 174.600 -0.106 0.000 1.029 672 S CA 1.687 59.825 58.200 -0.103 0.000 0.988 672 S CB -0.589 62.550 63.200 -0.102 0.000 0.838 672 S HN 0.669 nan 8.310 nan 0.000 0.462 673 T N 0.178 114.633 114.554 -0.166 0.000 3.087 673 T HA 0.104 4.456 4.350 0.003 0.000 0.237 673 T C 0.866 175.391 174.700 -0.291 0.000 0.990 673 T CA 0.320 62.239 62.100 -0.302 0.000 1.160 673 T CB -0.348 68.177 68.868 -0.571 0.000 0.923 673 T HN 0.361 nan 8.240 nan 0.000 0.442 674 H N 0.265 119.285 119.070 -0.084 0.000 2.708 674 H HA 0.279 4.836 4.556 0.003 0.000 0.309 674 H C -0.536 174.598 175.328 -0.324 0.000 1.084 674 H CA -0.228 55.587 56.048 -0.388 0.000 1.165 674 H CB -0.477 28.743 29.762 -0.904 0.000 1.388 674 H HN 0.425 nan 8.280 nan 0.000 0.553 675 Y N 0.256 120.553 120.300 -0.005 0.000 2.715 675 Y HA 0.197 4.749 4.550 0.002 0.000 0.255 675 Y C 0.743 176.748 175.900 0.175 0.000 1.139 675 Y CA -0.416 57.788 58.100 0.174 0.000 1.151 675 Y CB 0.355 38.856 38.460 0.067 0.000 1.201 675 Y HN 0.048 nan 8.280 nan 0.000 0.556 676 L N -0.555 120.786 121.223 0.197 0.000 2.479 676 L HA 0.038 4.379 4.340 0.003 0.000 0.270 676 L C 0.415 177.420 176.870 0.225 0.000 1.236 676 L CA -0.090 54.829 54.840 0.131 0.000 0.823 676 L CB 0.218 42.273 42.059 -0.006 0.000 1.098 676 L HN 0.147 nan 8.230 nan 0.000 0.500 677 c N 0.884 119.579 118.600 0.158 0.000 2.364 677 c HA 0.182 4.753 4.570 0.003 0.000 0.356 677 c C 1.392 175.544 174.090 0.104 0.000 1.201 677 c CA -0.325 56.118 56.329 0.190 0.000 2.227 677 c CB 1.067 43.679 42.510 0.170 0.000 2.387 677 c HN 0.914 nan 8.230 nan 0.000 0.546 678 N N -0.228 118.574 118.700 0.170 0.000 2.197 678 N HA 0.132 4.873 4.740 0.003 0.000 0.201 678 N C -0.208 175.493 175.510 0.318 0.000 1.148 678 N CA 0.414 53.600 53.050 0.228 0.000 0.883 678 N CB 0.540 39.131 38.487 0.174 0.000 1.012 678 N HN 0.818 nan 8.380 nan 0.000 0.507 679 T N -1.087 113.620 114.554 0.254 0.000 2.977 679 T HA 0.434 4.785 4.350 0.003 0.000 0.345 679 T C -3.160 171.675 174.700 0.225 0.000 1.562 679 T CA -1.251 60.995 62.100 0.244 0.000 1.090 679 T CB 1.436 70.413 68.868 0.182 0.000 1.383 679 T HN -0.241 nan 8.240 nan 0.000 0.484 680 P HA 0.428 nan 4.420 nan 0.000 0.306 680 P C 0.590 178.078 177.300 0.314 0.000 1.309 680 P CA -0.289 62.973 63.100 0.271 0.000 0.759 680 P CB 0.354 32.199 31.700 0.242 0.000 1.314 681 H N -0.619 118.531 119.070 0.135 0.000 2.272 681 H HA -0.246 4.312 4.556 0.003 0.000 0.289 681 H C 1.697 177.068 175.328 0.071 0.000 1.100 681 H CA 2.279 58.365 56.048 0.064 0.000 1.209 681 H CB -0.837 28.893 29.762 -0.054 0.000 1.348 681 H HN 0.536 nan 8.280 nan 0.000 0.481 682 H N -2.339 116.787 119.070 0.093 0.000 2.521 682 H HA -0.090 4.467 4.556 0.003 0.000 0.286 682 H C 0.740 175.882 175.328 -0.310 0.000 1.034 682 H CA 1.056 57.020 56.048 -0.139 0.000 1.278 682 H CB 0.221 29.820 29.762 -0.273 0.000 1.386 682 H HN 0.384 nan 8.280 nan 0.000 0.567 683 Y N -1.362 119.018 120.300 0.134 0.000 2.555 683 Y HA 0.072 4.624 4.550 0.003 0.000 0.259 683 Y C -0.217 175.826 175.900 0.240 0.000 1.179 683 Y CA -0.784 57.359 58.100 0.071 0.000 1.230 683 Y CB -0.206 38.300 38.460 0.076 0.000 1.146 683 Y HN 0.142 nan 8.280 nan 0.000 0.526 684 Y N 0.713 121.160 120.300 0.245 0.000 2.511 684 Y HA 0.379 4.931 4.550 0.002 0.000 0.332 684 Y C 1.392 177.443 175.900 0.253 0.000 1.177 684 Y CA 0.460 58.676 58.100 0.193 0.000 1.422 684 Y CB 0.662 39.146 38.460 0.040 0.000 1.271 684 Y HN 0.355 nan 8.280 nan 0.000 0.550 685 G N 4.663 113.126 108.800 -0.563 0.000 2.258 685 G HA2 -0.348 3.614 3.960 0.003 0.000 0.274 685 G HA3 -0.348 3.614 3.960 0.003 0.000 0.274 685 G C -0.508 174.378 174.900 -0.024 0.000 1.021 685 G CA 0.174 45.051 45.100 -0.371 0.000 0.798 685 G HN 0.540 nan 8.290 nan 0.000 0.507 686 F N 0.530 120.478 119.950 -0.003 0.000 2.415 686 F HA 0.512 5.041 4.527 0.003 0.000 0.348 686 F C -1.806 174.033 175.800 0.066 0.000 1.119 686 F CA -2.549 55.505 58.000 0.090 0.000 1.069 686 F CB 1.857 41.008 39.000 0.251 0.000 1.124 686 F HN -0.156 nan 8.300 nan 0.000 0.472 687 P HA -0.099 nan 4.420 nan 0.000 0.255 687 P C 0.817 178.177 177.300 0.100 0.000 1.173 687 P CA 0.308 63.427 63.100 0.032 0.000 0.780 687 P CB 0.377 32.047 31.700 -0.050 0.000 0.758 688 L N 6.429 127.678 121.223 0.043 0.000 2.051 688 L HA -0.271 4.071 4.340 0.003 0.000 0.214 688 L C 2.222 179.054 176.870 -0.064 0.000 1.076 688 L CA 2.075 56.875 54.840 -0.067 0.000 0.758 688 L CB -0.859 41.056 42.059 -0.240 0.000 0.890 688 L HN 0.331 nan 8.230 nan 0.000 0.433 689 K N -0.319 120.026 120.400 -0.093 0.000 2.044 689 K HA -0.190 4.132 4.320 0.003 0.000 0.210 689 K C 1.154 177.747 176.600 -0.012 0.000 1.049 689 K CA 1.707 57.923 56.287 -0.119 0.000 0.927 689 K CB -0.913 31.494 32.500 -0.155 0.000 0.713 689 K HN 0.399 nan 8.250 nan 0.000 0.443 690 L N 1.909 123.170 121.223 0.064 0.000 2.511 690 L HA 0.204 4.546 4.340 0.003 0.000 0.239 690 L C -0.539 176.480 176.870 0.249 0.000 1.400 690 L CA -0.438 54.478 54.840 0.126 0.000 1.226 690 L CB -0.607 41.538 42.059 0.143 0.000 1.475 690 L HN 0.171 nan 8.230 nan 0.000 0.428 691 F N 2.380 122.332 119.950 0.002 0.000 2.430 691 F HA 0.232 4.760 4.527 0.002 0.000 0.362 691 F C 0.366 176.141 175.800 -0.042 0.000 1.103 691 F CA -1.377 56.608 58.000 -0.025 0.000 1.045 691 F CB 0.816 39.747 39.000 -0.116 0.000 1.276 691 F HN 0.253 nan 8.300 nan 0.000 0.444 692 D N 3.661 123.819 120.400 -0.403 0.000 2.349 692 D HA -0.038 4.603 4.640 0.003 0.000 0.266 692 D C 0.729 176.718 176.300 -0.517 0.000 1.293 692 D CA -0.057 53.736 54.000 -0.346 0.000 0.926 692 D CB 1.001 41.664 40.800 -0.228 0.000 1.090 692 D HN 0.601 nan 8.370 nan 0.000 0.502 693 T N -0.978 113.404 114.554 -0.286 0.000 3.278 693 T HA 0.009 4.361 4.350 0.003 0.000 0.251 693 T C 1.430 176.064 174.700 -0.109 0.000 1.039 693 T CA -0.083 61.913 62.100 -0.172 0.000 0.935 693 T CB -0.351 68.524 68.868 0.012 0.000 1.034 693 T HN 0.337 nan 8.240 nan 0.000 0.575 694 S N 0.313 115.932 115.700 -0.135 0.000 2.515 694 S HA 0.032 4.504 4.470 0.003 0.000 0.231 694 S C 1.827 176.386 174.600 -0.069 0.000 0.987 694 S CA 0.465 58.614 58.200 -0.085 0.000 0.936 694 S CB -0.268 62.882 63.200 -0.084 0.000 0.766 694 S HN 0.432 nan 8.310 nan 0.000 0.528 695 S N -0.480 115.167 115.700 -0.088 0.000 2.540 695 S HA 0.371 4.842 4.470 0.003 0.000 0.218 695 S C 0.129 174.715 174.600 -0.023 0.000 0.977 695 S CA -0.566 57.602 58.200 -0.055 0.000 0.918 695 S CB -0.438 62.722 63.200 -0.066 0.000 0.806 695 S HN 0.627 nan 8.310 nan 0.000 0.496 696 c N 2.682 121.274 118.600 -0.014 0.000 2.456 696 c HA 0.883 5.455 4.570 0.003 0.000 0.325 696 c C -0.319 173.794 174.090 0.037 0.000 1.217 696 c CA -0.828 55.518 56.329 0.028 0.000 1.687 696 c CB 0.751 43.299 42.510 0.064 0.000 2.270 696 c HN 0.790 nan 8.230 nan 0.000 0.499 697 K N 0.000 120.428 120.400 0.047 0.000 2.780 697 K HA 0.000 4.322 4.320 0.003 0.000 0.191 697 K CA 0.000 56.316 56.287 0.049 0.000 0.838 697 K CB 0.000 32.525 32.500 0.042 0.000 1.064 697 K HN 0.000 nan 8.250 nan 0.000 0.543