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 2zog_1_B DATA FIRST_RESID -3 DATA SEQUENCE SPNSMSALKA VFQYIDENQD RYVKKLAEWV AIQSVSAWPE KRGEIRRMME DATA SEQUENCE VAAADVQRLG GSVELVDIGK QKLPDGSEIP LPPILLGKLG SDPQKKTVCI DATA SEQUENCE YGHLDVQPAA LEDGWDSEPF TLVEREGKLY GRGSTDDKGP VAGWMNALEA DATA SEQUENCE YQKTGQEIPV NLRFCLEGME ESGSEGLDEL IFAQKDKFFK DVDYVCISDN DATA SEQUENCE YWLGKNKPCI TYGLRGICYF FIEVECSDKD LHSGVYGGSV HEAMTDLISL DATA SEQUENCE MGCLVDKKGK ILIPGINDAV APVTDEEHAL YDHIDFDMEE FAKDVGAETL DATA SEQUENCE LHSCKKDILM HRWRYPSLSL HGIEGAFSGS GAKTVIPRKV VGKFSIRLVP DATA SEQUENCE DMIPEVVSEQ VSSYLSKKFA ELQSPNKFKV YMGHGGKPWV SDFNHPHYQA DATA SEQUENCE GRRALKTVFG VEPDLTREGG SIPVTLTFQE ATGKNVMLLP VGSADDGAHS DATA SEQUENCE QNEKLNRLNY IEGTKMLAAY LYEVSQLK 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 -3 S HA 0.000 nan 4.470 nan 0.000 0.327 -3 S C 0.000 174.658 174.600 0.096 0.000 1.055 -3 S CA 0.000 58.252 58.200 0.086 0.000 1.107 -3 S CB 0.000 63.232 63.200 0.053 0.000 0.593 -2 P HA -0.076 nan 4.420 nan 0.000 0.216 -2 P C 0.417 177.743 177.300 0.043 0.000 1.154 -2 P CA 1.366 64.494 63.100 0.046 0.000 0.865 -2 P CB -0.163 31.559 31.700 0.035 0.000 0.789 -1 N N -1.715 117.032 118.700 0.078 0.000 2.279 -1 N HA 0.104 4.845 4.740 0.001 0.000 0.226 -1 N C 1.011 176.492 175.510 -0.048 0.000 1.126 -1 N CA 0.097 53.169 53.050 0.037 0.000 0.846 -1 N CB 0.092 38.623 38.487 0.073 0.000 1.050 -1 N HN 0.071 nan 8.380 nan 0.000 0.502 0 S N 1.238 116.913 115.700 -0.041 0.000 2.370 0 S HA -0.157 4.314 4.470 0.001 0.000 0.226 0 S C 1.922 176.324 174.600 -0.330 0.000 1.033 0 S CA 1.037 59.111 58.200 -0.211 0.000 1.011 0 S CB -0.023 63.136 63.200 -0.067 0.000 0.852 0 S HN 0.372 nan 8.310 nan 0.000 0.457 1 M N 1.350 120.827 119.600 -0.205 0.000 2.065 1 M HA -0.136 4.344 4.480 0.001 0.000 0.259 1 M C 2.132 178.291 176.300 -0.235 0.000 1.069 1 M CA 1.507 56.681 55.300 -0.211 0.000 1.110 1 M CB -0.298 32.231 32.600 -0.119 0.000 1.328 1 M HN 0.159 nan 8.290 nan 0.000 0.405 2 S N 0.196 115.786 115.700 -0.184 0.000 2.382 2 S HA -0.078 4.392 4.470 0.001 0.000 0.228 2 S C 1.888 176.355 174.600 -0.221 0.000 1.027 2 S CA 1.284 59.388 58.200 -0.159 0.000 0.991 2 S CB -0.483 62.657 63.200 -0.099 0.000 0.823 2 S HN 0.673 nan 8.310 nan 0.000 0.469 3 A N 0.290 122.902 122.820 -0.347 0.000 2.016 3 A HA 0.255 4.576 4.320 0.001 0.000 0.217 3 A C 1.806 179.100 177.584 -0.483 0.000 1.162 3 A CA 0.740 52.508 52.037 -0.449 0.000 0.662 3 A CB -0.184 18.264 19.000 -0.920 0.000 0.812 3 A HN 0.469 nan 8.150 nan 0.000 0.450 4 L N -1.973 118.897 121.223 -0.589 0.000 2.701 4 L HA 0.169 4.510 4.340 0.001 0.000 0.238 4 L C 2.062 178.520 176.870 -0.688 0.000 1.106 4 L CA 0.174 54.556 54.840 -0.764 0.000 0.898 4 L CB -0.025 41.315 42.059 -1.199 0.000 1.188 4 L HN 0.280 nan 8.230 nan 0.000 0.508 5 K N 1.425 121.565 120.400 -0.434 0.000 2.015 5 K HA -0.248 4.073 4.320 0.001 0.000 0.216 5 K C 2.139 178.665 176.600 -0.124 0.000 1.052 5 K CA 2.022 58.167 56.287 -0.237 0.000 0.937 5 K CB -0.107 32.298 32.500 -0.159 0.000 0.719 5 K HN 0.287 nan 8.250 nan 0.000 0.446 6 A N 0.314 123.061 122.820 -0.122 0.000 1.902 6 A HA -0.131 4.190 4.320 0.001 0.000 0.217 6 A C 2.279 179.850 177.584 -0.021 0.000 1.181 6 A CA 1.812 53.816 52.037 -0.056 0.000 0.623 6 A CB -0.664 18.294 19.000 -0.070 0.000 0.818 6 A HN 0.204 nan 8.150 nan 0.000 0.443 7 V N -1.074 118.773 119.914 -0.113 0.000 2.307 7 V HA -0.235 3.885 4.120 0.001 0.000 0.245 7 V C 2.325 178.521 176.094 0.170 0.000 1.045 7 V CA 1.923 64.168 62.300 -0.091 0.000 1.024 7 V CB -0.947 30.623 31.823 -0.422 0.000 0.651 7 V HN 0.638 nan 8.190 nan 0.000 0.449 8 F N 0.099 119.985 119.950 -0.107 0.000 2.095 8 F HA -0.287 4.241 4.527 0.001 0.000 0.298 8 F C 2.798 178.578 175.800 -0.034 0.000 1.104 8 F CA 1.590 59.546 58.000 -0.074 0.000 1.232 8 F CB -0.265 38.681 39.000 -0.091 0.000 0.987 8 F HN 0.184 nan 8.300 nan 0.000 0.475 9 Q N -0.608 119.300 119.800 0.179 0.000 2.061 9 Q HA -0.291 4.050 4.340 0.001 0.000 0.204 9 Q C 1.979 178.027 176.000 0.080 0.000 0.984 9 Q CA 2.178 58.035 55.803 0.091 0.000 0.846 9 Q CB -0.587 28.189 28.738 0.062 0.000 0.902 9 Q HN 0.532 nan 8.270 nan 0.000 0.421 10 Y N 1.059 121.362 120.300 0.006 0.000 2.181 10 Y HA -0.231 4.321 4.550 0.003 0.000 0.288 10 Y C 1.935 177.839 175.900 0.007 0.000 1.146 10 Y CA 1.414 59.513 58.100 -0.002 0.000 1.164 10 Y CB -0.084 38.379 38.460 0.006 0.000 0.982 10 Y HN 0.017 nan 8.280 nan 0.000 0.515 11 I N 0.066 120.751 120.570 0.191 0.000 2.142 11 I HA -0.320 3.851 4.170 0.001 0.000 0.240 11 I C 2.260 178.357 176.117 -0.034 0.000 1.078 11 I CA 1.925 63.329 61.300 0.174 0.000 1.343 11 I CB -0.530 37.549 38.000 0.131 0.000 1.046 11 I HN 0.228 nan 8.210 nan 0.000 0.405 12 D N 0.973 121.338 120.400 -0.057 0.000 2.133 12 D HA -0.240 4.401 4.640 0.001 0.000 0.195 12 D C 2.029 178.237 176.300 -0.154 0.000 0.997 12 D CA 1.651 55.593 54.000 -0.096 0.000 0.840 12 D CB 0.004 40.767 40.800 -0.062 0.000 0.947 12 D HN 0.364 nan 8.370 nan 0.000 0.452 13 E N -0.729 119.351 120.200 -0.200 0.000 2.152 13 E HA -0.027 4.324 4.350 0.001 0.000 0.192 13 E C 1.223 177.591 176.600 -0.388 0.000 0.983 13 E CA 0.535 56.778 56.400 -0.263 0.000 0.818 13 E CB 0.016 29.554 29.700 -0.268 0.000 0.758 13 E HN 0.359 nan 8.360 nan 0.000 0.467 14 N N 1.106 119.457 118.700 -0.581 0.000 2.235 14 N HA -0.035 4.706 4.740 0.001 0.000 0.209 14 N C 1.442 176.329 175.510 -1.038 0.000 1.122 14 N CA -0.004 52.549 53.050 -0.828 0.000 0.845 14 N CB 0.507 38.345 38.487 -1.082 0.000 1.004 14 N HN 0.327 nan 8.380 nan 0.000 0.499 15 Q N 0.799 120.231 119.800 -0.612 0.000 2.112 15 Q HA -0.183 4.157 4.340 0.001 0.000 0.206 15 Q C 0.483 176.365 176.000 -0.197 0.000 0.987 15 Q CA 1.361 56.966 55.803 -0.330 0.000 0.858 15 Q CB -0.218 28.448 28.738 -0.119 0.000 0.905 15 Q HN 0.098 nan 8.270 nan 0.000 0.420 16 D N 0.655 120.941 120.400 -0.189 0.000 2.123 16 D HA -0.161 4.479 4.640 0.001 0.000 0.196 16 D C 2.022 178.272 176.300 -0.084 0.000 0.992 16 D CA 0.962 54.903 54.000 -0.097 0.000 0.833 16 D CB -0.318 40.429 40.800 -0.089 0.000 0.954 16 D HN 0.207 nan 8.370 nan 0.000 0.455 17 R N 0.353 120.744 120.500 -0.181 0.000 2.081 17 R HA -0.145 4.196 4.340 0.001 0.000 0.235 17 R C 2.089 178.411 176.300 0.037 0.000 1.131 17 R CA 0.945 56.981 56.100 -0.105 0.000 0.960 17 R CB -0.591 29.604 30.300 -0.175 0.000 0.856 17 R HN 0.266 nan 8.270 nan 0.000 0.436 18 Y N 0.027 120.322 120.300 -0.009 0.000 2.224 18 Y HA -0.138 4.413 4.550 0.001 0.000 0.289 18 Y C 2.532 178.541 175.900 0.182 0.000 1.146 18 Y CA 0.505 58.623 58.100 0.030 0.000 1.182 18 Y CB -1.019 37.376 38.460 -0.107 0.000 0.983 18 Y HN -0.180 nan 8.280 nan 0.000 0.524 19 V N 0.022 120.125 119.914 0.315 0.000 2.427 19 V HA -0.245 3.876 4.120 0.001 0.000 0.248 19 V C 2.292 178.431 176.094 0.075 0.000 1.051 19 V CA 1.653 64.069 62.300 0.193 0.000 1.048 19 V CB -0.482 31.419 31.823 0.129 0.000 0.666 19 V HN 0.315 nan 8.190 nan 0.000 0.456 20 K N 0.013 120.455 120.400 0.070 0.000 2.097 20 K HA -0.209 4.111 4.320 0.001 0.000 0.206 20 K C 2.309 178.946 176.600 0.061 0.000 1.049 20 K CA 1.345 57.664 56.287 0.054 0.000 0.933 20 K CB -0.174 32.353 32.500 0.045 0.000 0.717 20 K HN 0.346 nan 8.250 nan 0.000 0.442 21 K N 1.064 121.502 120.400 0.063 0.000 2.057 21 K HA -0.182 4.138 4.320 0.001 0.000 0.207 21 K C 2.155 178.669 176.600 -0.142 0.000 1.049 21 K CA 1.054 57.344 56.287 0.006 0.000 0.931 21 K CB -0.099 32.385 32.500 -0.026 0.000 0.714 21 K HN 0.002 nan 8.250 nan 0.000 0.440 22 L N 1.311 122.433 121.223 -0.168 0.000 2.017 22 L HA -0.104 4.237 4.340 0.001 0.000 0.208 22 L C 2.290 179.134 176.870 -0.043 0.000 1.073 22 L CA 2.124 56.816 54.840 -0.248 0.000 0.745 22 L CB -0.968 40.827 42.059 -0.441 0.000 0.894 22 L HN 0.247 nan 8.230 nan 0.000 0.432 23 A N -0.537 122.278 122.820 -0.009 0.000 1.903 23 A HA -0.317 4.003 4.320 0.001 0.000 0.219 23 A C 2.139 179.793 177.584 0.118 0.000 1.191 23 A CA 2.231 54.299 52.037 0.051 0.000 0.638 23 A CB -0.843 18.184 19.000 0.046 0.000 0.823 23 A HN 0.641 nan 8.150 nan 0.000 0.451 24 E N -1.550 118.742 120.200 0.154 0.000 2.097 24 E HA -0.259 4.092 4.350 0.001 0.000 0.196 24 E C 1.813 178.600 176.600 0.312 0.000 1.000 24 E CA 1.558 58.091 56.400 0.221 0.000 0.804 24 E CB -0.266 29.590 29.700 0.259 0.000 0.740 24 E HN 0.867 nan 8.360 nan 0.000 0.454 25 W N 0.232 121.549 121.300 0.029 0.000 2.381 25 W HA -0.078 4.582 4.660 -0.000 0.000 0.301 25 W C 2.237 178.777 176.519 0.034 0.000 1.205 25 W CA 0.300 57.659 57.345 0.024 0.000 1.285 25 W CB -0.990 28.482 29.460 0.020 0.000 1.133 25 W HN -0.096 nan 8.180 nan 0.000 0.521 26 V N 0.690 120.773 119.914 0.281 0.000 2.594 26 V HA -0.232 3.888 4.120 0.001 0.000 0.253 26 V C 2.308 178.548 176.094 0.243 0.000 1.069 26 V CA 1.846 64.277 62.300 0.219 0.000 1.082 26 V CB -1.422 30.481 31.823 0.135 0.000 0.680 26 V HN 0.173 nan 8.190 nan 0.000 0.469 27 A N -0.456 122.471 122.820 0.179 0.000 2.066 27 A HA 0.086 4.406 4.320 0.001 0.000 0.218 27 A C 1.158 178.767 177.584 0.042 0.000 1.157 27 A CA 0.498 52.613 52.037 0.131 0.000 0.670 27 A CB -0.416 18.643 19.000 0.097 0.000 0.804 27 A HN 0.518 nan 8.150 nan 0.000 0.453 28 I N 1.070 121.659 120.570 0.031 0.000 2.379 28 I HA 0.020 4.190 4.170 0.001 0.000 0.290 28 I C 0.033 176.074 176.117 -0.127 0.000 1.063 28 I CA -0.009 61.256 61.300 -0.058 0.000 1.351 28 I CB 0.961 38.921 38.000 -0.067 0.000 1.410 28 I HN 0.291 nan 8.210 nan 0.000 0.505 29 Q N 5.093 124.718 119.800 -0.293 0.000 3.181 29 Q HA 0.080 4.421 4.340 0.001 0.000 0.293 29 Q C 0.336 176.155 176.000 -0.302 0.000 1.406 29 Q CA -0.233 55.215 55.803 -0.591 0.000 1.026 29 Q CB 0.033 28.250 28.738 -0.869 0.000 1.630 29 Q HN 0.712 nan 8.270 nan 0.000 0.553 30 S N -0.868 114.741 115.700 -0.153 0.000 3.811 30 S HA 0.174 4.645 4.470 0.001 0.000 0.205 30 S C 0.294 174.843 174.600 -0.085 0.000 1.445 30 S CA -0.613 57.532 58.200 -0.093 0.000 1.097 30 S CB -0.227 62.935 63.200 -0.063 0.000 1.350 30 S HN 0.179 nan 8.310 nan 0.000 0.471 31 V N 3.431 123.256 119.914 -0.149 0.000 2.405 31 V HA 0.137 4.257 4.120 0.001 0.000 0.264 31 V C 1.528 177.526 176.094 -0.160 0.000 1.048 31 V CA 0.053 62.204 62.300 -0.248 0.000 0.966 31 V CB 0.277 31.738 31.823 -0.603 0.000 1.015 31 V HN 0.869 nan 8.190 nan 0.000 0.477 32 S N 4.002 119.627 115.700 -0.124 0.000 2.453 32 S HA -0.060 4.411 4.470 0.001 0.000 0.231 32 S C 1.859 176.434 174.600 -0.041 0.000 1.005 32 S CA 0.709 58.873 58.200 -0.060 0.000 0.949 32 S CB -0.081 63.094 63.200 -0.041 0.000 0.774 32 S HN 0.845 nan 8.310 nan 0.000 0.510 33 A N 0.411 123.164 122.820 -0.113 0.000 2.066 33 A HA 0.133 4.453 4.320 0.001 0.000 0.218 33 A C 0.360 178.064 177.584 0.200 0.000 1.157 33 A CA 0.248 52.270 52.037 -0.024 0.000 0.670 33 A CB -0.388 18.542 19.000 -0.117 0.000 0.804 33 A HN 0.648 nan 8.150 nan 0.000 0.453 34 W N -0.395 120.904 121.300 -0.002 0.000 2.278 34 W HA 0.470 5.131 4.660 0.001 0.000 0.317 34 W C -2.336 174.171 176.519 -0.020 0.000 1.030 34 W CA -2.897 54.443 57.345 -0.009 0.000 1.334 34 W CB 0.396 29.848 29.460 -0.013 0.000 1.215 34 W HN 0.106 nan 8.180 nan 0.000 0.405 35 P HA -0.278 nan 4.420 nan 0.000 0.216 35 P C 1.644 178.986 177.300 0.071 0.000 1.154 35 P CA 2.345 65.499 63.100 0.090 0.000 0.865 35 P CB 0.246 31.977 31.700 0.050 0.000 0.789 36 E N -0.068 120.171 120.200 0.064 0.000 2.333 36 E HA -0.195 4.156 4.350 0.001 0.000 0.198 36 E C 0.979 177.607 176.600 0.048 0.000 1.007 36 E CA 1.200 57.617 56.400 0.029 0.000 0.845 36 E CB -0.581 29.108 29.700 -0.017 0.000 0.766 36 E HN 0.196 nan 8.360 nan 0.000 0.507 37 K N 0.761 121.225 120.400 0.107 0.000 2.374 37 K HA 0.108 4.429 4.320 0.001 0.000 0.196 37 K C 1.700 178.311 176.600 0.019 0.000 1.023 37 K CA -0.041 56.288 56.287 0.070 0.000 1.103 37 K CB 0.195 32.771 32.500 0.128 0.000 0.848 37 K HN -0.013 nan 8.250 nan 0.000 0.528 38 R N 1.208 121.721 120.500 0.022 0.000 2.127 38 R HA -0.072 4.269 4.340 0.001 0.000 0.238 38 R C 1.971 178.259 176.300 -0.020 0.000 1.134 38 R CA 1.742 57.842 56.100 0.001 0.000 0.975 38 R CB -0.978 29.326 30.300 0.006 0.000 0.865 38 R HN 0.284 nan 8.270 nan 0.000 0.447 39 G N 0.003 108.790 108.800 -0.022 0.000 2.443 39 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 39 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 39 G C 1.124 175.995 174.900 -0.049 0.000 1.131 39 G CA 0.393 45.472 45.100 -0.034 0.000 0.775 39 G HN 0.319 nan 8.290 nan 0.000 0.547 40 E N 0.269 120.437 120.200 -0.053 0.000 2.208 40 E HA -0.017 4.334 4.350 0.001 0.000 0.193 40 E C 2.546 179.095 176.600 -0.085 0.000 0.988 40 E CA 0.347 56.702 56.400 -0.076 0.000 0.828 40 E CB -0.019 29.625 29.700 -0.095 0.000 0.763 40 E HN 0.538 nan 8.360 nan 0.000 0.478 41 I N 0.586 121.115 120.570 -0.069 0.000 2.286 41 I HA -0.224 3.946 4.170 0.001 0.000 0.245 41 I C 2.561 178.629 176.117 -0.081 0.000 1.104 41 I CA 0.826 62.083 61.300 -0.071 0.000 1.397 41 I CB -0.256 37.715 38.000 -0.048 0.000 1.072 41 I HN -0.026 nan 8.210 nan 0.000 0.417 42 R N 0.700 121.159 120.500 -0.068 0.000 2.083 42 R HA -0.162 4.179 4.340 0.001 0.000 0.237 42 R C 2.494 178.739 176.300 -0.091 0.000 1.137 42 R CA 1.424 57.482 56.100 -0.071 0.000 0.951 42 R CB -0.384 29.884 30.300 -0.054 0.000 0.851 42 R HN 0.350 nan 8.270 nan 0.000 0.434 43 R N 0.050 120.495 120.500 -0.092 0.000 2.096 43 R HA -0.182 4.159 4.340 0.001 0.000 0.240 43 R C 2.308 178.513 176.300 -0.160 0.000 1.139 43 R CA 1.910 57.945 56.100 -0.107 0.000 0.952 43 R CB -0.332 29.911 30.300 -0.095 0.000 0.854 43 R HN 0.115 nan 8.270 nan 0.000 0.436 44 M N 0.211 119.702 119.600 -0.182 0.000 2.080 44 M HA -0.161 4.319 4.480 0.001 0.000 0.260 44 M C 1.986 178.102 176.300 -0.306 0.000 1.068 44 M CA 1.713 56.844 55.300 -0.280 0.000 1.109 44 M CB -0.081 32.379 32.600 -0.234 0.000 1.342 44 M HN 0.042 nan 8.290 nan 0.000 0.405 45 M N -0.526 118.950 119.600 -0.206 0.000 2.108 45 M HA -0.202 4.279 4.480 0.001 0.000 0.261 45 M C 1.964 178.157 176.300 -0.178 0.000 1.066 45 M CA 1.814 57.007 55.300 -0.180 0.000 1.107 45 M CB -1.730 30.798 32.600 -0.119 0.000 1.356 45 M HN 0.369 nan 8.290 nan 0.000 0.406 46 E N -0.102 120.006 120.200 -0.155 0.000 2.150 46 E HA -0.101 4.250 4.350 0.001 0.000 0.193 46 E C 2.223 178.734 176.600 -0.147 0.000 0.985 46 E CA 0.859 57.182 56.400 -0.128 0.000 0.814 46 E CB -0.053 29.589 29.700 -0.096 0.000 0.752 46 E HN 0.235 nan 8.360 nan 0.000 0.466 47 V N 1.291 121.078 119.914 -0.212 0.000 2.295 47 V HA -0.288 3.833 4.120 0.001 0.000 0.246 47 V C 2.299 178.251 176.094 -0.237 0.000 1.049 47 V CA 1.972 64.129 62.300 -0.238 0.000 1.024 47 V CB -0.648 30.941 31.823 -0.390 0.000 0.648 47 V HN 0.344 nan 8.190 nan 0.000 0.447 48 A N -0.189 122.416 122.820 -0.359 0.000 1.902 48 A HA -0.095 4.226 4.320 0.001 0.000 0.217 48 A C 2.432 179.916 177.584 -0.168 0.000 1.181 48 A CA 1.985 53.866 52.037 -0.260 0.000 0.623 48 A CB -0.813 17.998 19.000 -0.314 0.000 0.818 48 A HN 0.577 nan 8.150 nan 0.000 0.443 49 A N 0.049 122.771 122.820 -0.165 0.000 1.917 49 A HA 0.059 4.380 4.320 0.001 0.000 0.219 49 A C 2.495 180.022 177.584 -0.094 0.000 1.182 49 A CA 2.337 54.295 52.037 -0.132 0.000 0.633 49 A CB -1.061 17.874 19.000 -0.108 0.000 0.819 49 A HN 1.142 nan 8.150 nan 0.000 0.448 50 A N -0.440 122.339 122.820 -0.069 0.000 1.972 50 A HA -0.152 4.169 4.320 0.001 0.000 0.219 50 A C 1.741 179.326 177.584 0.002 0.000 1.169 50 A CA 1.891 53.912 52.037 -0.027 0.000 0.635 50 A CB -0.532 18.460 19.000 -0.013 0.000 0.810 50 A HN 0.471 nan 8.150 nan 0.000 0.446 51 D N -0.268 120.140 120.400 0.014 0.000 2.097 51 D HA -0.099 4.542 4.640 0.001 0.000 0.195 51 D C 2.079 178.374 176.300 -0.009 0.000 0.989 51 D CA 1.465 55.498 54.000 0.054 0.000 0.827 51 D CB -0.358 40.523 40.800 0.135 0.000 0.966 51 D HN 0.211 nan 8.370 nan 0.000 0.456 52 V N 0.737 120.583 119.914 -0.113 0.000 2.343 52 V HA -0.247 3.874 4.120 0.001 0.000 0.247 52 V C 2.414 178.477 176.094 -0.052 0.000 1.051 52 V CA 1.589 63.784 62.300 -0.175 0.000 1.036 52 V CB -0.558 31.049 31.823 -0.360 0.000 0.654 52 V HN 0.203 nan 8.190 nan 0.000 0.451 53 Q N -0.326 119.451 119.800 -0.039 0.000 2.084 53 Q HA -0.230 4.110 4.340 0.001 0.000 0.202 53 Q C 2.471 178.480 176.000 0.014 0.000 0.978 53 Q CA 1.764 57.563 55.803 -0.007 0.000 0.844 53 Q CB -0.273 28.457 28.738 -0.012 0.000 0.898 53 Q HN 0.526 nan 8.270 nan 0.000 0.426 54 R N 0.728 121.241 120.500 0.021 0.000 2.120 54 R HA -0.097 4.244 4.340 0.001 0.000 0.234 54 R C 1.765 178.094 176.300 0.050 0.000 1.123 54 R CA 0.854 56.978 56.100 0.040 0.000 0.975 54 R CB -0.090 30.242 30.300 0.054 0.000 0.866 54 R HN 0.226 nan 8.270 nan 0.000 0.446 55 L N -0.231 121.025 121.223 0.055 0.000 2.622 55 L HA 0.079 4.420 4.340 0.001 0.000 0.233 55 L C 1.194 178.102 176.870 0.063 0.000 1.156 55 L CA 0.752 55.636 54.840 0.072 0.000 0.866 55 L CB 0.029 42.148 42.059 0.100 0.000 0.980 55 L HN 0.627 nan 8.230 nan 0.000 0.448 56 G N -0.604 108.225 108.800 0.047 0.000 2.141 56 G HA2 -0.210 3.751 3.960 0.001 0.000 0.242 56 G HA3 -0.210 3.751 3.960 0.001 0.000 0.242 56 G C 0.479 175.405 174.900 0.045 0.000 0.982 56 G CA -0.131 44.993 45.100 0.041 0.000 0.662 56 G HN 0.532 nan 8.290 nan 0.000 0.527 57 G N -0.488 108.343 108.800 0.053 0.000 2.537 57 G HA2 0.803 4.764 3.960 0.001 0.000 0.297 57 G HA3 0.803 4.764 3.960 0.001 0.000 0.297 57 G C 0.204 175.132 174.900 0.046 0.000 1.310 57 G CA 0.571 45.712 45.100 0.069 0.000 1.027 57 G HN 1.624 nan 8.290 nan 0.000 0.505 58 S N -2.121 113.616 115.700 0.061 0.000 2.542 58 S HA 0.693 5.164 4.470 0.001 0.000 0.293 58 S C -0.797 173.835 174.600 0.054 0.000 1.089 58 S CA -0.650 57.576 58.200 0.043 0.000 0.961 58 S CB 1.708 64.933 63.200 0.041 0.000 1.062 58 S HN 1.656 nan 8.310 nan 0.000 0.483 59 V N 0.386 120.309 119.914 0.016 0.000 2.789 59 V HA 0.689 4.810 4.120 0.001 0.000 0.311 59 V C -1.081 174.996 176.094 -0.029 0.000 1.073 59 V CA -0.611 61.686 62.300 -0.005 0.000 0.921 59 V CB 1.764 33.557 31.823 -0.050 0.000 1.009 59 V HN 1.119 nan 8.190 nan 0.000 0.426 60 E N 4.811 124.975 120.200 -0.060 0.000 2.113 60 E HA 0.451 4.802 4.350 0.001 0.000 0.273 60 E C -1.049 175.490 176.600 -0.101 0.000 0.924 60 E CA -0.717 55.636 56.400 -0.078 0.000 0.764 60 E CB 1.532 31.175 29.700 -0.095 0.000 1.104 60 E HN 0.852 nan 8.360 nan 0.000 0.406 61 L N 5.523 126.700 121.223 -0.077 0.000 2.401 61 L HA 0.196 4.537 4.340 0.001 0.000 0.283 61 L C -0.424 176.406 176.870 -0.067 0.000 1.151 61 L CA -0.587 54.209 54.840 -0.075 0.000 0.942 61 L CB 0.555 42.576 42.059 -0.064 0.000 1.283 61 L HN 0.337 nan 8.230 nan 0.000 0.442 62 V N 2.055 121.922 119.914 -0.077 0.000 2.521 62 V HA -0.002 4.119 4.120 0.001 0.000 0.286 62 V C 0.533 176.602 176.094 -0.042 0.000 1.034 62 V CA -0.275 61.987 62.300 -0.063 0.000 1.045 62 V CB 1.148 32.925 31.823 -0.076 0.000 0.974 62 V HN 0.556 nan 8.190 nan 0.000 0.480 63 D N 4.657 125.038 120.400 -0.033 0.000 2.317 63 D HA 0.207 4.848 4.640 0.001 0.000 0.252 63 D C 0.658 176.948 176.300 -0.018 0.000 1.174 63 D CA -0.207 53.779 54.000 -0.024 0.000 0.866 63 D CB 1.214 42.001 40.800 -0.021 0.000 1.127 63 D HN 0.589 nan 8.370 nan 0.000 0.467 64 I N 1.049 121.610 120.570 -0.014 0.000 4.025 64 I HA 0.467 4.638 4.170 0.001 0.000 0.336 64 I C 1.006 177.118 176.117 -0.007 0.000 1.390 64 I CA -0.412 60.883 61.300 -0.008 0.000 1.099 64 I CB 0.307 38.305 38.000 -0.003 0.000 1.049 64 I HN 0.498 nan 8.210 nan 0.000 0.394 65 G N 1.925 110.719 108.800 -0.010 0.000 2.445 65 G HA2 -0.143 3.818 3.960 0.001 0.000 0.212 65 G HA3 -0.143 3.818 3.960 0.001 0.000 0.212 65 G C -0.827 174.067 174.900 -0.010 0.000 1.217 65 G CA -0.615 44.479 45.100 -0.010 0.000 1.002 65 G HN 0.311 nan 8.290 nan 0.000 0.574 66 K N 0.310 120.704 120.400 -0.011 0.000 2.156 66 K HA 0.608 4.929 4.320 0.001 0.000 0.254 66 K C -0.002 176.591 176.600 -0.011 0.000 0.950 66 K CA -0.508 55.772 56.287 -0.011 0.000 0.849 66 K CB 1.979 34.471 32.500 -0.013 0.000 1.100 66 K HN 0.621 nan 8.250 nan 0.000 0.434 67 Q N 2.235 122.029 119.800 -0.010 0.000 2.271 67 Q HA 0.170 4.511 4.340 0.001 0.000 0.258 67 Q C -1.089 174.902 176.000 -0.016 0.000 0.936 67 Q CA -0.853 54.944 55.803 -0.010 0.000 0.909 67 Q CB 1.149 29.884 28.738 -0.004 0.000 1.253 67 Q HN 0.227 nan 8.270 nan 0.000 0.440 68 K N 4.521 124.908 120.400 -0.023 0.000 2.316 68 K HA 0.267 4.588 4.320 0.001 0.000 0.289 68 K C -1.125 175.454 176.600 -0.035 0.000 1.070 68 K CA -0.088 56.180 56.287 -0.032 0.000 0.928 68 K CB 0.204 32.678 32.500 -0.042 0.000 1.039 68 K HN 0.579 nan 8.250 nan 0.000 0.480 69 L N 7.453 128.659 121.223 -0.030 0.000 2.395 69 L HA 0.275 4.616 4.340 0.001 0.000 0.269 69 L C -1.322 175.522 176.870 -0.043 0.000 1.133 69 L CA -2.154 52.670 54.840 -0.027 0.000 0.812 69 L CB 0.978 43.030 42.059 -0.013 0.000 1.125 69 L HN 0.611 nan 8.230 nan 0.000 0.452 70 P HA -0.190 nan 4.420 nan 0.000 0.218 70 P C 0.056 177.319 177.300 -0.061 0.000 1.147 70 P CA 1.453 64.511 63.100 -0.069 0.000 0.827 70 P CB 0.153 31.825 31.700 -0.047 0.000 0.778 71 D N -1.984 118.392 120.400 -0.039 0.000 3.018 71 D HA 0.282 4.922 4.640 0.001 0.000 0.331 71 D C 1.334 177.613 176.300 -0.035 0.000 1.334 71 D CA 0.274 54.252 54.000 -0.036 0.000 0.900 71 D CB 0.249 41.035 40.800 -0.022 0.000 1.059 71 D HN 0.067 nan 8.370 nan 0.000 0.498 72 G N 1.209 109.983 108.800 -0.043 0.000 2.498 72 G HA2 -0.313 3.648 3.960 0.001 0.000 0.229 72 G HA3 -0.313 3.648 3.960 0.001 0.000 0.229 72 G C 0.828 175.709 174.900 -0.032 0.000 1.156 72 G CA 0.370 45.447 45.100 -0.039 0.000 0.680 72 G HN 0.488 nan 8.290 nan 0.000 0.512 73 S N 1.195 116.880 115.700 -0.026 0.000 2.560 73 S HA 0.408 4.879 4.470 0.001 0.000 0.276 73 S C 0.221 174.808 174.600 -0.020 0.000 1.350 73 S CA 0.978 59.166 58.200 -0.020 0.000 1.024 73 S CB 0.485 63.675 63.200 -0.016 0.000 0.864 73 S HN 0.512 nan 8.310 nan 0.000 0.536 74 E N 1.270 121.459 120.200 -0.017 0.000 2.238 74 E HA 0.599 4.950 4.350 0.001 0.000 0.267 74 E C -0.621 175.972 176.600 -0.012 0.000 0.887 74 E CA -0.604 55.786 56.400 -0.016 0.000 0.769 74 E CB 1.608 31.298 29.700 -0.017 0.000 1.187 74 E HN 0.644 nan 8.360 nan 0.000 0.416 75 I N -1.412 119.153 120.570 -0.009 0.000 3.042 75 I HA 0.637 4.808 4.170 0.001 0.000 0.310 75 I C -2.687 173.425 176.117 -0.008 0.000 1.117 75 I CA -3.042 58.254 61.300 -0.007 0.000 1.003 75 I CB 2.167 40.167 38.000 -0.001 0.000 1.228 75 I HN 0.219 nan 8.210 nan 0.000 0.443 76 P HA 0.235 nan 4.420 nan 0.000 0.271 76 P C -0.482 176.812 177.300 -0.009 0.000 1.220 76 P CA -0.037 63.056 63.100 -0.011 0.000 0.768 76 P CB 0.873 32.565 31.700 -0.014 0.000 0.848 77 L N 5.368 126.585 121.223 -0.009 0.000 2.483 77 L HA 0.149 4.489 4.340 0.001 0.000 0.275 77 L C -1.671 175.191 176.870 -0.013 0.000 1.220 77 L CA -1.528 53.307 54.840 -0.008 0.000 0.833 77 L CB -0.507 41.549 42.059 -0.006 0.000 1.102 77 L HN 0.269 nan 8.230 nan 0.000 0.490 78 P HA 0.172 nan 4.420 nan 0.000 0.274 78 P C -2.524 174.764 177.300 -0.021 0.000 1.237 78 P CA -1.202 61.885 63.100 -0.021 0.000 0.793 78 P CB -0.096 31.592 31.700 -0.020 0.000 0.977 79 P HA 0.242 nan 4.420 nan 0.000 0.274 79 P C -0.445 176.837 177.300 -0.030 0.000 1.237 79 P CA -0.011 63.069 63.100 -0.034 0.000 0.793 79 P CB 0.672 32.345 31.700 -0.046 0.000 0.977 80 I N 1.673 122.226 120.570 -0.029 0.000 2.331 80 I HA 0.235 4.406 4.170 0.001 0.000 0.292 80 I C 0.732 176.813 176.117 -0.060 0.000 0.998 80 I CA -0.796 60.491 61.300 -0.021 0.000 1.267 80 I CB 0.956 38.958 38.000 0.004 0.000 1.386 80 I HN 0.193 nan 8.210 nan 0.000 0.476 81 L N 7.883 129.075 121.223 -0.052 0.000 2.278 81 L HA 0.443 4.784 4.340 0.001 0.000 0.287 81 L C -1.036 175.766 176.870 -0.114 0.000 1.072 81 L CA -0.331 54.459 54.840 -0.083 0.000 0.819 81 L CB 0.299 42.314 42.059 -0.074 0.000 1.176 81 L HN 0.533 nan 8.230 nan 0.000 0.435 82 L N 6.132 127.207 121.223 -0.246 0.000 2.316 82 L HA 0.584 4.924 4.340 0.001 0.000 0.280 82 L C 0.246 177.009 176.870 -0.179 0.000 1.006 82 L CA -0.488 54.010 54.840 -0.570 0.000 0.836 82 L CB 1.465 42.754 42.059 -1.283 0.000 1.221 82 L HN 0.696 nan 8.230 nan 0.000 0.418 83 G N 2.892 111.850 108.800 0.264 0.000 2.513 83 G HA2 0.566 4.527 3.960 0.001 0.000 0.317 83 G HA3 0.566 4.527 3.960 0.001 0.000 0.317 83 G C -0.985 174.266 174.900 0.585 0.000 1.277 83 G CA -0.499 44.824 45.100 0.371 0.000 0.955 83 G HN 0.381 nan 8.290 nan 0.000 0.484 84 K N 1.335 121.950 120.400 0.358 0.000 2.323 84 K HA 0.426 4.746 4.320 0.001 0.000 0.259 84 K C -1.556 175.152 176.600 0.180 0.000 0.947 84 K CA -0.889 55.515 56.287 0.195 0.000 0.819 84 K CB 2.483 35.041 32.500 0.096 0.000 1.109 84 K HN 0.251 nan 8.250 nan 0.000 0.429 85 L N 2.205 123.512 121.223 0.140 0.000 2.442 85 L HA 0.435 4.775 4.340 0.001 0.000 0.261 85 L C -0.500 176.382 176.870 0.020 0.000 1.000 85 L CA 0.428 55.345 54.840 0.128 0.000 0.882 85 L CB 1.145 43.359 42.059 0.259 0.000 1.207 85 L HN 0.841 nan 8.230 nan 0.000 0.443 86 G N 2.932 111.734 108.800 0.005 0.000 3.039 86 G HA2 -0.040 3.921 3.960 0.001 0.000 0.686 86 G HA3 -0.040 3.921 3.960 0.001 0.000 0.686 86 G C -0.368 174.501 174.900 -0.052 0.000 1.066 86 G CA -0.282 44.802 45.100 -0.028 0.000 0.774 86 G HN 0.633 nan 8.290 nan 0.000 0.591 87 S N 1.410 117.082 115.700 -0.046 0.000 2.204 87 S HA 0.316 4.787 4.470 0.001 0.000 0.178 87 S C -0.449 174.122 174.600 -0.048 0.000 1.493 87 S CA -0.449 57.717 58.200 -0.058 0.000 1.266 87 S CB 0.847 64.016 63.200 -0.053 0.000 1.232 87 S HN 0.803 nan 8.310 nan 0.000 0.406 88 D N 3.144 123.514 120.400 -0.051 0.000 2.396 88 D HA 0.276 4.917 4.640 0.001 0.000 0.225 88 D C -1.525 174.746 176.300 -0.047 0.000 1.121 88 D CA -2.098 51.876 54.000 -0.044 0.000 0.853 88 D CB 1.531 42.306 40.800 -0.042 0.000 1.043 88 D HN 0.107 nan 8.370 nan 0.000 0.500 89 P HA -0.074 nan 4.420 nan 0.000 0.234 89 P C 0.840 178.117 177.300 -0.039 0.000 1.167 89 P CA 0.494 63.569 63.100 -0.043 0.000 0.763 89 P CB 0.554 32.232 31.700 -0.037 0.000 0.835 90 Q N -0.041 119.737 119.800 -0.036 0.000 2.432 90 Q HA 0.070 4.411 4.340 0.001 0.000 0.205 90 Q C 0.527 176.504 176.000 -0.039 0.000 0.945 90 Q CA 0.779 56.562 55.803 -0.033 0.000 0.924 90 Q CB 0.221 28.942 28.738 -0.028 0.000 1.016 90 Q HN 0.433 nan 8.270 nan 0.000 0.503 91 K N 0.679 121.051 120.400 -0.046 0.000 2.156 91 K HA 0.268 4.589 4.320 0.001 0.000 0.250 91 K C 0.016 176.586 176.600 -0.050 0.000 0.955 91 K CA -0.809 55.446 56.287 -0.053 0.000 0.855 91 K CB 1.273 33.733 32.500 -0.065 0.000 1.101 91 K HN -0.274 nan 8.250 nan 0.000 0.434 92 K N 1.188 121.567 120.400 -0.034 0.000 2.336 92 K HA 0.114 4.435 4.320 0.001 0.000 0.262 92 K C -0.147 176.428 176.600 -0.041 0.000 0.992 92 K CA 0.268 56.550 56.287 -0.008 0.000 0.927 92 K CB 0.503 33.068 32.500 0.107 0.000 0.956 92 K HN 0.561 nan 8.250 nan 0.000 0.495 93 T N 0.921 115.442 114.554 -0.055 0.000 2.809 93 T HA 0.340 4.691 4.350 0.001 0.000 0.284 93 T C -0.474 174.186 174.700 -0.067 0.000 0.992 93 T CA -0.676 61.367 62.100 -0.094 0.000 0.957 93 T CB 1.280 70.068 68.868 -0.134 0.000 0.942 93 T HN 0.120 nan 8.240 nan 0.000 0.439 94 V N 2.553 122.417 119.914 -0.083 0.000 2.435 94 V HA 0.380 4.500 4.120 0.001 0.000 0.290 94 V C 0.363 176.353 176.094 -0.173 0.000 1.030 94 V CA -0.971 61.297 62.300 -0.054 0.000 0.881 94 V CB 1.544 33.359 31.823 -0.014 0.000 0.983 94 V HN 1.086 nan 8.190 nan 0.000 0.445 95 C N 7.435 126.644 119.300 -0.152 0.000 2.325 95 C HA 0.618 5.079 4.460 0.001 0.000 0.347 95 C C 0.018 174.830 174.990 -0.296 0.000 1.263 95 C CA -0.551 58.355 59.018 -0.187 0.000 1.806 95 C CB -1.370 26.292 27.740 -0.131 0.000 2.405 95 C HN 0.766 nan 8.230 nan 0.000 0.537 96 I N 6.919 127.254 120.570 -0.391 0.000 2.339 96 I HA 0.321 4.492 4.170 0.001 0.000 0.290 96 I C -0.529 175.468 176.117 -0.200 0.000 0.994 96 I CA -0.428 60.568 61.300 -0.507 0.000 1.191 96 I CB 0.935 38.337 38.000 -0.996 0.000 1.343 96 I HN 0.698 nan 8.210 nan 0.000 0.458 97 Y N 6.008 126.165 120.300 -0.238 0.000 2.429 97 Y HA 0.839 5.390 4.550 0.001 0.000 0.342 97 Y C -0.070 175.869 175.900 0.064 0.000 1.004 97 Y CA -0.363 57.717 58.100 -0.033 0.000 1.075 97 Y CB 1.953 40.405 38.460 -0.013 0.000 1.214 97 Y HN 0.601 nan 8.280 nan 0.000 0.455 98 G N 2.720 111.071 108.800 -0.749 0.000 2.606 98 G HA2 0.473 4.434 3.960 0.001 0.000 0.300 98 G HA3 0.473 4.434 3.960 0.001 0.000 0.300 98 G C -2.266 172.296 174.900 -0.563 0.000 1.360 98 G CA -0.952 43.822 45.100 -0.545 0.000 0.783 98 G HN 1.037 nan 8.290 nan 0.000 0.484 99 H N -1.984 116.926 119.070 -0.267 0.000 2.768 99 H HA 0.713 5.269 4.556 0.001 0.000 0.371 99 H C -0.277 175.035 175.328 -0.027 0.000 1.151 99 H CA -1.135 54.827 56.048 -0.143 0.000 1.165 99 H CB 2.062 31.788 29.762 -0.060 0.000 1.722 99 H HN 0.324 nan 8.280 nan 0.000 0.543 100 L N 0.575 121.817 121.223 0.031 0.000 2.731 100 L HA 0.135 4.476 4.340 0.001 0.000 0.240 100 L C 0.123 177.013 176.870 0.034 0.000 1.120 100 L CA -0.265 54.565 54.840 -0.018 0.000 0.913 100 L CB 0.081 42.081 42.059 -0.098 0.000 1.213 100 L HN 0.736 nan 8.230 nan 0.000 0.515 101 D N 1.431 121.906 120.400 0.124 0.000 2.339 101 D HA 0.314 4.955 4.640 0.001 0.000 0.245 101 D C -0.036 176.371 176.300 0.178 0.000 1.115 101 D CA -0.130 53.934 54.000 0.106 0.000 0.917 101 D CB 2.248 43.082 40.800 0.057 0.000 1.192 101 D HN -0.090 nan 8.370 nan 0.000 0.428 102 V N -2.506 117.453 119.914 0.076 0.000 3.040 102 V HA 0.437 4.558 4.120 0.001 0.000 0.312 102 V C -0.296 175.762 176.094 -0.060 0.000 1.115 102 V CA -1.150 61.193 62.300 0.071 0.000 0.998 102 V CB 1.830 33.721 31.823 0.113 0.000 1.042 102 V HN 0.531 nan 8.190 nan 0.000 0.433 103 Q N 1.564 121.294 119.800 -0.117 0.000 2.417 103 Q HA 0.386 4.726 4.340 0.001 0.000 0.241 103 Q C -2.426 173.425 176.000 -0.247 0.000 1.008 103 Q CA -1.442 54.215 55.803 -0.243 0.000 0.901 103 Q CB 0.629 29.152 28.738 -0.358 0.000 1.259 103 Q HN 0.627 nan 8.270 nan 0.000 0.489 104 P HA 0.084 nan 4.420 nan 0.000 0.267 104 P C -1.400 175.831 177.300 -0.114 0.000 1.200 104 P CA 0.239 63.033 63.100 -0.510 0.000 0.772 104 P CB 0.525 31.984 31.700 -0.403 0.000 0.855 105 A N 1.385 124.194 122.820 -0.019 0.000 2.520 105 A HA 0.779 5.099 4.320 0.001 0.000 0.298 105 A C -1.384 176.239 177.584 0.065 0.000 1.051 105 A CA -0.457 51.560 52.037 -0.033 0.000 0.690 105 A CB 1.623 20.310 19.000 -0.521 0.000 1.281 105 A HN 0.538 nan 8.150 nan 0.000 0.402 106 A N 0.989 123.848 122.820 0.065 0.000 2.449 106 A HA 0.635 4.956 4.320 0.001 0.000 0.302 106 A C 0.488 178.082 177.584 0.016 0.000 1.048 106 A CA -0.345 51.729 52.037 0.063 0.000 0.708 106 A CB 0.880 19.987 19.000 0.178 0.000 1.274 106 A HN 1.870 nan 8.150 nan 0.000 0.410 107 L N 1.245 122.454 121.223 -0.023 0.000 2.021 107 L HA -0.191 4.149 4.340 0.001 0.000 0.215 107 L C 1.906 178.880 176.870 0.174 0.000 1.074 107 L CA 2.818 57.694 54.840 0.059 0.000 0.760 107 L CB -0.493 41.589 42.059 0.038 0.000 0.889 107 L HN 0.868 nan 8.230 nan 0.000 0.433 108 E N -0.552 119.726 120.200 0.130 0.000 2.401 108 E HA -0.166 4.184 4.350 0.001 0.000 0.199 108 E C 1.603 178.290 176.600 0.146 0.000 1.023 108 E CA 0.946 57.417 56.400 0.118 0.000 0.859 108 E CB -0.413 29.337 29.700 0.084 0.000 0.780 108 E HN 0.529 nan 8.360 nan 0.000 0.523 109 D N -0.368 120.167 120.400 0.225 0.000 2.348 109 D HA 0.020 4.661 4.640 0.001 0.000 0.216 109 D C 1.094 177.492 176.300 0.163 0.000 0.970 109 D CA 1.195 55.329 54.000 0.224 0.000 0.889 109 D CB 0.280 41.283 40.800 0.338 0.000 0.912 109 D HN 0.341 nan 8.370 nan 0.000 0.524 110 G N -0.302 108.606 108.800 0.179 0.000 2.148 110 G HA2 -0.169 3.792 3.960 0.001 0.000 0.120 110 G HA3 -0.169 3.792 3.960 0.001 0.000 0.120 110 G C -0.492 174.420 174.900 0.020 0.000 1.034 110 G CA -0.795 44.341 45.100 0.060 0.000 0.710 110 G HN 0.036 nan 8.290 nan 0.000 0.495 111 W N 0.780 122.071 121.300 -0.016 0.000 2.251 111 W HA 0.623 5.284 4.660 0.001 0.000 0.329 111 W C 0.567 177.057 176.519 -0.049 0.000 1.234 111 W CA -0.116 57.209 57.345 -0.033 0.000 1.228 111 W CB 0.849 30.290 29.460 -0.033 0.000 1.135 111 W HN -0.001 nan 8.180 nan 0.000 0.576 112 D N 0.672 121.155 120.400 0.139 0.000 2.340 112 D HA 0.057 4.698 4.640 0.001 0.000 0.217 112 D C -0.113 176.210 176.300 0.038 0.000 1.081 112 D CA 0.462 54.476 54.000 0.022 0.000 0.842 112 D CB 0.218 40.952 40.800 -0.110 0.000 0.934 112 D HN 0.218 nan 8.370 nan 0.000 0.511 113 S N -1.160 114.623 115.700 0.139 0.000 2.595 113 S HA 0.236 4.707 4.470 0.001 0.000 0.270 113 S C -0.779 173.873 174.600 0.086 0.000 1.145 113 S CA -1.051 57.205 58.200 0.092 0.000 0.825 113 S CB 2.076 65.318 63.200 0.070 0.000 1.107 113 S HN -0.242 nan 8.310 nan 0.000 0.461 114 E N 2.333 122.536 120.200 0.005 0.000 2.415 114 E HA 0.179 4.529 4.350 0.001 0.000 0.260 114 E C -1.425 175.031 176.600 -0.239 0.000 1.016 114 E CA -1.758 54.591 56.400 -0.084 0.000 0.924 114 E CB 0.754 30.441 29.700 -0.022 0.000 0.961 114 E HN 0.413 nan 8.360 nan 0.000 0.459 115 P HA -0.123 nan 4.420 nan 0.000 0.218 115 P C 0.677 177.479 177.300 -0.829 0.000 1.149 115 P CA 1.137 63.479 63.100 -1.262 0.000 0.817 115 P CB 0.074 30.509 31.700 -2.107 0.000 0.785 116 F N -0.559 119.235 119.950 -0.261 0.000 2.692 116 F HA 0.162 4.690 4.527 0.001 0.000 0.303 116 F C 0.666 176.432 175.800 -0.058 0.000 1.114 116 F CA 0.386 58.310 58.000 -0.128 0.000 1.361 116 F CB -0.591 38.352 39.000 -0.095 0.000 1.063 116 F HN -0.263 nan 8.300 nan 0.000 0.550 117 T N 2.095 116.677 114.554 0.046 0.000 2.893 117 T HA 0.303 4.653 4.350 0.001 0.000 0.324 117 T C -0.399 174.332 174.700 0.053 0.000 1.082 117 T CA -0.465 61.669 62.100 0.058 0.000 0.983 117 T CB 0.741 69.637 68.868 0.046 0.000 1.005 117 T HN -0.119 nan 8.240 nan 0.000 0.475 118 L N 5.921 127.180 121.223 0.061 0.000 2.513 118 L HA 0.377 4.718 4.340 0.001 0.000 0.272 118 L C -0.112 176.801 176.870 0.072 0.000 1.187 118 L CA 0.474 55.351 54.840 0.062 0.000 0.895 118 L CB 0.193 42.271 42.059 0.032 0.000 1.147 118 L HN 0.506 nan 8.230 nan 0.000 0.483 119 V N 1.911 121.891 119.914 0.111 0.000 2.760 119 V HA 0.554 4.675 4.120 0.001 0.000 0.309 119 V C -0.565 175.626 176.094 0.161 0.000 1.077 119 V CA -0.895 61.472 62.300 0.112 0.000 0.910 119 V CB 1.677 33.557 31.823 0.095 0.000 1.008 119 V HN 0.800 nan 8.190 nan 0.000 0.424 120 E N 3.930 124.198 120.200 0.112 0.000 2.130 120 E HA 0.523 4.874 4.350 0.001 0.000 0.284 120 E C -0.627 176.054 176.600 0.135 0.000 1.018 120 E CA -0.661 55.810 56.400 0.118 0.000 0.817 120 E CB 0.888 30.624 29.700 0.061 0.000 1.078 120 E HN 0.746 nan 8.360 nan 0.000 0.396 121 R N 3.924 124.556 120.500 0.219 0.000 2.476 121 R HA 0.201 4.541 4.340 0.001 0.000 0.305 121 R C -0.621 175.778 176.300 0.164 0.000 0.965 121 R CA -0.709 55.485 56.100 0.157 0.000 0.867 121 R CB 1.437 31.797 30.300 0.099 0.000 1.176 121 R HN 0.631 nan 8.270 nan 0.000 0.447 122 E N 1.202 121.454 120.200 0.088 0.000 2.513 122 E HA -0.239 4.111 4.350 0.001 0.000 0.257 122 E C 0.481 177.112 176.600 0.051 0.000 1.098 122 E CA 1.046 57.485 56.400 0.066 0.000 0.752 122 E CB -1.036 28.709 29.700 0.076 0.000 1.324 122 E HN 1.224 nan 8.360 nan 0.000 0.403 123 G N -0.063 108.762 108.800 0.041 0.000 2.159 123 G HA2 -0.344 3.617 3.960 0.001 0.000 0.256 123 G HA3 -0.344 3.617 3.960 0.001 0.000 0.256 123 G C 0.103 174.994 174.900 -0.015 0.000 0.977 123 G CA 0.918 46.027 45.100 0.014 0.000 0.652 123 G HN 0.259 nan 8.290 nan 0.000 0.531 124 K N -0.165 120.227 120.400 -0.013 0.000 2.292 124 K HA 0.669 4.990 4.320 0.001 0.000 0.257 124 K C -0.121 176.375 176.600 -0.173 0.000 0.940 124 K CA -0.827 55.364 56.287 -0.160 0.000 0.811 124 K CB 1.855 34.175 32.500 -0.300 0.000 1.120 124 K HN 0.120 nan 8.250 nan 0.000 0.428 125 L N 4.120 125.201 121.223 -0.237 0.000 2.272 125 L HA 0.353 4.693 4.340 0.001 0.000 0.284 125 L C -0.870 175.891 176.870 -0.182 0.000 1.045 125 L CA -0.780 53.978 54.840 -0.137 0.000 0.842 125 L CB -0.123 41.853 42.059 -0.139 0.000 1.224 125 L HN 0.472 nan 8.230 nan 0.000 0.430 126 Y N 2.014 122.324 120.300 0.016 0.000 2.327 126 Y HA 0.677 5.228 4.550 0.001 0.000 0.336 126 Y C 0.934 176.899 175.900 0.109 0.000 1.035 126 Y CA -0.166 57.977 58.100 0.073 0.000 1.165 126 Y CB 1.859 40.374 38.460 0.092 0.000 1.181 126 Y HN 0.630 nan 8.280 nan 0.000 0.494 127 G N 2.298 111.273 108.800 0.292 0.000 2.384 127 G HA2 0.306 4.267 3.960 0.001 0.000 0.300 127 G HA3 0.306 4.267 3.960 0.001 0.000 0.300 127 G C -2.008 172.967 174.900 0.125 0.000 1.582 127 G CA -1.417 43.779 45.100 0.161 0.000 0.875 127 G HN 0.476 nan 8.290 nan 0.000 0.628 128 R N 0.427 120.849 120.500 -0.131 0.000 2.449 128 R HA 0.519 4.859 4.340 0.001 0.000 0.296 128 R C 1.486 177.792 176.300 0.011 0.000 1.047 128 R CA 1.579 57.617 56.100 -0.104 0.000 1.018 128 R CB 0.291 30.226 30.300 -0.608 0.000 0.962 128 R HN 2.360 nan 8.270 nan 0.000 0.428 129 G N 2.333 111.185 108.800 0.086 0.000 2.195 129 G HA2 -0.379 3.582 3.960 0.001 0.000 0.246 129 G HA3 -0.379 3.582 3.960 0.001 0.000 0.246 129 G C 1.006 175.949 174.900 0.072 0.000 0.984 129 G CA 0.875 46.036 45.100 0.102 0.000 0.633 129 G HN 0.829 nan 8.290 nan 0.000 0.525 130 S N -0.803 114.922 115.700 0.040 0.000 2.365 130 S HA -0.120 4.351 4.470 0.001 0.000 0.225 130 S C 2.007 176.589 174.600 -0.030 0.000 1.039 130 S CA 2.648 60.829 58.200 -0.033 0.000 1.033 130 S CB -0.526 62.636 63.200 -0.063 0.000 0.887 130 S HN 0.843 nan 8.310 nan 0.000 0.447 131 T N -0.022 114.555 114.554 0.038 0.000 3.034 131 T HA 0.156 4.507 4.350 0.001 0.000 0.248 131 T C -0.317 174.500 174.700 0.196 0.000 1.040 131 T CA 0.486 62.654 62.100 0.114 0.000 1.107 131 T CB -0.209 68.749 68.868 0.150 0.000 0.932 131 T HN 0.393 nan 8.240 nan 0.000 0.474 132 D N 1.333 121.848 120.400 0.192 0.000 2.404 132 D HA 0.320 4.961 4.640 0.001 0.000 0.267 132 D C -0.923 175.450 176.300 0.121 0.000 1.194 132 D CA -0.327 53.818 54.000 0.242 0.000 0.910 132 D CB 0.818 41.852 40.800 0.389 0.000 1.090 132 D HN 0.088 nan 8.370 nan 0.000 0.511 133 D N 1.922 122.265 120.400 -0.096 0.000 2.712 133 D HA 0.140 4.781 4.640 0.001 0.000 0.300 133 D C 0.975 177.242 176.300 -0.055 0.000 1.521 133 D CA 0.003 53.895 54.000 -0.179 0.000 0.790 133 D CB 0.471 40.859 40.800 -0.687 0.000 1.155 133 D HN 0.150 nan 8.370 nan 0.000 0.456 134 K N -0.649 119.779 120.400 0.045 0.000 2.116 134 K HA 0.104 4.425 4.320 0.001 0.000 0.203 134 K C 2.006 178.646 176.600 0.067 0.000 1.052 134 K CA 1.005 57.404 56.287 0.187 0.000 0.952 134 K CB 0.124 32.781 32.500 0.262 0.000 0.729 134 K HN 0.161 nan 8.250 nan 0.000 0.446 135 G N 2.149 110.931 108.800 -0.029 0.000 2.433 135 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 135 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 135 G C -1.053 173.886 174.900 0.066 0.000 1.186 135 G CA 0.572 45.610 45.100 -0.103 0.000 0.779 135 G HN 0.203 nan 8.290 nan 0.000 0.543 136 P HA -0.042 nan 4.420 nan 0.000 0.215 136 P C 2.143 179.491 177.300 0.079 0.000 1.153 136 P CA 0.801 63.905 63.100 0.007 0.000 0.853 136 P CB -0.075 31.630 31.700 0.008 0.000 0.788 137 V N 0.067 120.103 119.914 0.204 0.000 2.358 137 V HA -0.231 3.889 4.120 0.001 0.000 0.246 137 V C 2.454 178.726 176.094 0.297 0.000 1.047 137 V CA 2.176 64.715 62.300 0.399 0.000 1.035 137 V CB -1.725 30.329 31.823 0.384 0.000 0.658 137 V HN 0.090 nan 8.190 nan 0.000 0.452 138 A N 0.583 123.381 122.820 -0.037 0.000 1.940 138 A HA -0.132 4.189 4.320 0.001 0.000 0.219 138 A C 2.431 179.921 177.584 -0.157 0.000 1.176 138 A CA 1.980 53.768 52.037 -0.415 0.000 0.631 138 A CB -1.264 17.224 19.000 -0.853 0.000 0.814 138 A HN 0.536 nan 8.150 nan 0.000 0.446 139 G N -1.353 107.396 108.800 -0.085 0.000 2.469 139 G HA2 -0.295 3.666 3.960 0.001 0.000 0.219 139 G HA3 -0.295 3.666 3.960 0.001 0.000 0.219 139 G C 1.404 176.221 174.900 -0.138 0.000 1.150 139 G CA 1.026 45.986 45.100 -0.234 0.000 0.763 139 G HN 0.698 nan 8.290 nan 0.000 0.561 140 W N 0.189 121.497 121.300 0.013 0.000 2.338 140 W HA -0.051 4.610 4.660 0.002 0.000 0.304 140 W C 2.890 179.476 176.519 0.112 0.000 1.212 140 W CA 0.677 58.083 57.345 0.100 0.000 1.264 140 W CB -0.175 29.400 29.460 0.192 0.000 1.142 140 W HN 0.067 nan 8.180 nan 0.000 0.512 141 M N 0.064 119.854 119.600 0.318 0.000 2.175 141 M HA -0.153 4.328 4.480 0.001 0.000 0.264 141 M C 1.543 177.903 176.300 0.101 0.000 1.063 141 M CA 1.393 56.828 55.300 0.225 0.000 1.119 141 M CB -1.717 31.004 32.600 0.201 0.000 1.377 141 M HN 0.060 nan 8.290 nan 0.000 0.415 142 N N 1.115 119.765 118.700 -0.084 0.000 2.084 142 N HA -0.064 4.677 4.740 0.001 0.000 0.190 142 N C 1.837 177.275 175.510 -0.119 0.000 1.030 142 N CA 1.744 54.620 53.050 -0.290 0.000 0.849 142 N CB -0.543 37.361 38.487 -0.971 0.000 1.012 142 N HN 0.348 nan 8.380 nan 0.000 0.423 143 A N 1.713 124.499 122.820 -0.056 0.000 1.883 143 A HA -0.107 4.213 4.320 0.001 0.000 0.217 143 A C 2.436 180.178 177.584 0.262 0.000 1.186 143 A CA 1.145 53.237 52.037 0.091 0.000 0.624 143 A CB -0.928 18.150 19.000 0.131 0.000 0.822 143 A HN 0.219 nan 8.150 nan 0.000 0.444 144 L N -0.827 120.580 121.223 0.306 0.000 2.012 144 L HA -0.241 4.099 4.340 0.001 0.000 0.210 144 L C 2.719 179.748 176.870 0.264 0.000 1.073 144 L CA 1.991 57.031 54.840 0.333 0.000 0.748 144 L CB -0.573 41.676 42.059 0.315 0.000 0.891 144 L HN 0.630 nan 8.230 nan 0.000 0.431 145 E N 0.450 120.762 120.200 0.187 0.000 2.110 145 E HA -0.251 4.100 4.350 0.001 0.000 0.193 145 E C 2.181 178.812 176.600 0.051 0.000 0.988 145 E CA 1.115 57.595 56.400 0.133 0.000 0.804 145 E CB 0.015 29.808 29.700 0.156 0.000 0.745 145 E HN 0.469 nan 8.360 nan 0.000 0.458 146 A N 0.057 122.916 122.820 0.065 0.000 1.972 146 A HA -0.178 4.143 4.320 0.001 0.000 0.219 146 A C 1.789 179.247 177.584 -0.210 0.000 1.169 146 A CA 1.248 53.225 52.037 -0.100 0.000 0.635 146 A CB -0.752 18.283 19.000 0.058 0.000 0.810 146 A HN 0.412 nan 8.150 nan 0.000 0.446 147 Y N -0.028 120.248 120.300 -0.040 0.000 2.163 147 Y HA -0.199 4.352 4.550 0.001 0.000 0.288 147 Y C 2.818 178.673 175.900 -0.074 0.000 1.136 147 Y CA 1.987 60.066 58.100 -0.035 0.000 1.147 147 Y CB -0.368 38.103 38.460 0.019 0.000 0.987 147 Y HN 0.389 nan 8.280 nan 0.000 0.509 148 Q N -0.152 119.712 119.800 0.108 0.000 2.124 148 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 148 Q C 1.871 177.832 176.000 -0.064 0.000 0.977 148 Q CA 1.075 56.898 55.803 0.032 0.000 0.850 148 Q CB -0.077 28.690 28.738 0.049 0.000 0.901 148 Q HN 0.267 nan 8.270 nan 0.000 0.429 149 K N 0.186 120.465 120.400 -0.202 0.000 2.432 149 K HA -0.029 4.292 4.320 0.001 0.000 0.196 149 K C 1.684 178.076 176.600 -0.347 0.000 1.038 149 K CA 1.067 57.144 56.287 -0.349 0.000 0.986 149 K CB 0.044 32.093 32.500 -0.751 0.000 0.782 149 K HN 0.325 nan 8.250 nan 0.000 0.485 150 T N -2.775 111.613 114.554 -0.277 0.000 3.186 150 T HA 0.281 4.631 4.350 0.001 0.000 0.257 150 T C 0.996 175.658 174.700 -0.064 0.000 1.029 150 T CA 0.216 62.224 62.100 -0.154 0.000 0.916 150 T CB 0.192 68.972 68.868 -0.147 0.000 1.041 150 T HN 0.239 nan 8.240 nan 0.000 0.562 151 G N 1.295 110.068 108.800 -0.047 0.000 2.198 151 G HA2 -0.209 3.752 3.960 0.001 0.000 0.257 151 G HA3 -0.209 3.752 3.960 0.001 0.000 0.257 151 G C -0.384 174.525 174.900 0.016 0.000 1.042 151 G CA -0.038 45.056 45.100 -0.010 0.000 0.791 151 G HN 0.692 nan 8.290 nan 0.000 0.502 152 Q N -0.845 118.982 119.800 0.044 0.000 2.433 152 Q HA 0.547 4.888 4.340 0.001 0.000 0.279 152 Q C -0.280 175.775 176.000 0.093 0.000 1.105 152 Q CA -0.930 54.926 55.803 0.088 0.000 0.815 152 Q CB 1.903 30.741 28.738 0.167 0.000 1.403 152 Q HN 0.426 nan 8.270 nan 0.000 0.435 153 E N 0.978 121.213 120.200 0.057 0.000 2.343 153 E HA 0.231 4.581 4.350 0.001 0.000 0.269 153 E C -0.484 176.065 176.600 -0.085 0.000 1.047 153 E CA -0.359 56.044 56.400 0.004 0.000 0.874 153 E CB 0.995 30.686 29.700 -0.015 0.000 1.033 153 E HN 0.369 nan 8.360 nan 0.000 0.409 154 I N 4.384 124.871 120.570 -0.138 0.000 2.683 154 I HA -0.052 4.119 4.170 0.001 0.000 0.286 154 I C -1.512 174.411 176.117 -0.324 0.000 1.175 154 I CA -1.181 59.906 61.300 -0.355 0.000 1.429 154 I CB 0.438 38.335 38.000 -0.173 0.000 1.371 154 I HN 0.369 nan 8.210 nan 0.000 0.569 155 P HA -0.077 nan 4.420 nan 0.000 0.225 155 P C -0.228 176.971 177.300 -0.169 0.000 1.148 155 P CA 0.835 63.793 63.100 -0.236 0.000 0.779 155 P CB -0.012 31.567 31.700 -0.201 0.000 0.780 156 V N -5.172 114.638 119.914 -0.173 0.000 3.130 156 V HA 0.523 4.644 4.120 0.001 0.000 0.310 156 V C -0.514 175.507 176.094 -0.122 0.000 1.158 156 V CA -1.416 60.806 62.300 -0.131 0.000 1.029 156 V CB 1.850 33.594 31.823 -0.133 0.000 1.057 156 V HN -0.263 nan 8.190 nan 0.000 0.436 157 N N 1.274 119.908 118.700 -0.110 0.000 2.503 157 N HA 0.640 5.380 4.740 0.001 0.000 0.267 157 N C -0.881 174.530 175.510 -0.166 0.000 1.214 157 N CA -0.082 52.897 53.050 -0.119 0.000 0.959 157 N CB 1.491 39.909 38.487 -0.116 0.000 1.142 157 N HN 0.646 nan 8.380 nan 0.000 0.455 158 L N 1.301 122.403 121.223 -0.201 0.000 2.370 158 L HA 0.495 4.836 4.340 0.001 0.000 0.266 158 L C 0.035 176.691 176.870 -0.357 0.000 1.002 158 L CA -0.836 53.786 54.840 -0.362 0.000 0.818 158 L CB 1.810 43.507 42.059 -0.604 0.000 1.325 158 L HN 0.162 nan 8.230 nan 0.000 0.418 159 R N 2.462 122.725 120.500 -0.396 0.000 2.371 159 R HA 0.425 4.766 4.340 0.001 0.000 0.312 159 R C -1.352 174.892 176.300 -0.093 0.000 0.980 159 R CA -0.447 55.500 56.100 -0.256 0.000 0.867 159 R CB 0.988 31.058 30.300 -0.382 0.000 1.163 159 R HN 0.329 nan 8.270 nan 0.000 0.492 160 F N 1.165 121.225 119.950 0.184 0.000 2.427 160 F HA 0.240 4.766 4.527 -0.001 0.000 0.352 160 F C 1.037 176.977 175.800 0.233 0.000 1.100 160 F CA -0.556 57.519 58.000 0.124 0.000 1.191 160 F CB 1.011 40.041 39.000 0.049 0.000 1.128 160 F HN 0.269 nan 8.300 nan 0.000 0.533 161 C N 7.248 126.790 119.300 0.403 0.000 2.335 161 C HA 0.683 5.143 4.460 0.001 0.000 0.318 161 C C -0.715 174.430 174.990 0.257 0.000 1.150 161 C CA -0.800 58.458 59.018 0.400 0.000 1.466 161 C CB -1.204 26.972 27.740 0.726 0.000 2.024 161 C HN 0.766 nan 8.230 nan 0.000 0.429 162 L N 6.263 127.559 121.223 0.122 0.000 2.322 162 L HA 0.656 4.997 4.340 0.001 0.000 0.281 162 L C 0.015 176.892 176.870 0.011 0.000 1.014 162 L CA -0.211 54.626 54.840 -0.006 0.000 0.815 162 L CB 1.679 43.726 42.059 -0.019 0.000 1.247 162 L HN 0.760 nan 8.230 nan 0.000 0.421 163 E N 1.223 121.423 120.200 -0.001 0.000 2.316 163 E HA 0.690 5.040 4.350 0.001 0.000 0.258 163 E C 0.126 176.752 176.600 0.043 0.000 0.952 163 E CA -0.820 55.614 56.400 0.057 0.000 0.818 163 E CB 2.091 31.884 29.700 0.155 0.000 1.260 163 E HN 0.544 nan 8.360 nan 0.000 0.416 164 G N 0.413 109.234 108.800 0.036 0.000 3.695 164 G HA2 0.164 4.125 3.960 0.001 0.000 0.277 164 G HA3 0.164 4.125 3.960 0.001 0.000 0.277 164 G C 0.223 175.134 174.900 0.020 0.000 1.001 164 G CA -0.235 44.879 45.100 0.023 0.000 0.837 164 G HN 0.342 nan 8.290 nan 0.000 0.492 165 M N 0.404 120.017 119.600 0.022 0.000 2.414 165 M HA 0.272 4.753 4.480 0.001 0.000 0.357 165 M C 1.372 177.646 176.300 -0.042 0.000 1.059 165 M CA -0.224 55.074 55.300 -0.005 0.000 0.959 165 M CB 0.781 33.382 32.600 0.003 0.000 1.522 165 M HN 0.178 nan 8.290 nan 0.000 0.551 166 E N 1.705 121.861 120.200 -0.074 0.000 2.110 166 E HA -0.169 4.181 4.350 0.001 0.000 0.193 166 E C 0.944 177.397 176.600 -0.245 0.000 0.988 166 E CA 1.299 57.588 56.400 -0.184 0.000 0.804 166 E CB 0.438 29.890 29.700 -0.413 0.000 0.745 166 E HN 0.404 nan 8.360 nan 0.000 0.458 167 E N -0.215 119.852 120.200 -0.221 0.000 2.418 167 E HA -0.004 4.346 4.350 0.001 0.000 0.197 167 E C 1.019 177.550 176.600 -0.116 0.000 1.026 167 E CA 0.301 56.604 56.400 -0.162 0.000 0.862 167 E CB 0.258 29.878 29.700 -0.134 0.000 0.799 167 E HN 0.021 nan 8.360 nan 0.000 0.518 168 S N -0.994 114.652 115.700 -0.089 0.000 2.650 168 S HA 0.338 4.809 4.470 0.001 0.000 0.240 168 S C 1.051 175.673 174.600 0.037 0.000 1.007 168 S CA 0.310 58.516 58.200 0.011 0.000 0.984 168 S CB 1.302 64.509 63.200 0.011 0.000 0.910 168 S HN 0.386 nan 8.310 nan 0.000 0.509 169 G N 1.273 109.962 108.800 -0.185 0.000 2.179 169 G HA2 -0.246 3.715 3.960 0.001 0.000 0.220 169 G HA3 -0.246 3.715 3.960 0.001 0.000 0.220 169 G C 0.331 175.183 174.900 -0.079 0.000 0.990 169 G CA -0.134 44.842 45.100 -0.207 0.000 0.646 169 G HN 0.705 nan 8.290 nan 0.000 0.517 170 S N -0.554 115.113 115.700 -0.054 0.000 3.672 170 S HA -0.205 4.265 4.470 0.001 0.000 0.319 170 S C 0.364 174.960 174.600 -0.006 0.000 1.151 170 S CA 1.498 59.686 58.200 -0.020 0.000 0.911 170 S CB -1.081 62.098 63.200 -0.035 0.000 0.939 170 S HN 1.080 nan 8.310 nan 0.000 0.524 171 E N 0.039 120.242 120.200 0.004 0.000 2.652 171 E HA 0.247 4.598 4.350 0.001 0.000 0.255 171 E C 1.365 177.968 176.600 0.006 0.000 0.952 171 E CA 1.282 57.687 56.400 0.008 0.000 0.947 171 E CB -0.167 29.539 29.700 0.011 0.000 0.912 171 E HN 0.707 nan 8.360 nan 0.000 0.489 172 G N 3.190 111.993 108.800 0.005 0.000 2.234 172 G HA2 -0.306 3.654 3.960 0.001 0.000 0.235 172 G HA3 -0.306 3.654 3.960 0.001 0.000 0.235 172 G C 0.635 175.539 174.900 0.007 0.000 0.997 172 G CA 0.265 45.369 45.100 0.007 0.000 0.623 172 G HN 0.529 nan 8.290 nan 0.000 0.514 173 L N 1.452 122.673 121.223 -0.004 0.000 2.044 173 L HA 0.212 4.552 4.340 0.001 0.000 0.205 173 L C 2.315 179.142 176.870 -0.072 0.000 1.075 173 L CA 2.929 57.755 54.840 -0.024 0.000 0.747 173 L CB -0.610 41.434 42.059 -0.026 0.000 0.903 173 L HN 0.214 nan 8.230 nan 0.000 0.435 174 D N -0.371 119.990 120.400 -0.066 0.000 2.116 174 D HA -0.269 4.372 4.640 0.001 0.000 0.193 174 D C 2.056 178.430 176.300 0.123 0.000 0.998 174 D CA 1.611 55.597 54.000 -0.022 0.000 0.836 174 D CB -0.062 40.777 40.800 0.065 0.000 0.951 174 D HN 0.585 nan 8.370 nan 0.000 0.449 175 E N -0.033 120.226 120.200 0.097 0.000 2.051 175 E HA -0.186 4.164 4.350 0.001 0.000 0.192 175 E C 2.121 178.786 176.600 0.108 0.000 0.991 175 E CA 0.618 57.086 56.400 0.113 0.000 0.799 175 E CB -0.172 29.560 29.700 0.053 0.000 0.748 175 E HN 0.133 nan 8.360 nan 0.000 0.449 176 L N 1.038 122.298 121.223 0.062 0.000 2.046 176 L HA -0.118 4.222 4.340 0.001 0.000 0.208 176 L C 2.133 179.068 176.870 0.109 0.000 1.077 176 L CA 1.486 56.369 54.840 0.072 0.000 0.747 176 L CB -0.324 41.766 42.059 0.052 0.000 0.896 176 L HN 0.269 nan 8.230 nan 0.000 0.432 177 I N -1.496 119.071 120.570 -0.004 0.000 2.113 177 I HA -0.325 3.845 4.170 0.001 0.000 0.238 177 I C 2.249 178.286 176.117 -0.133 0.000 1.070 177 I CA 1.556 62.755 61.300 -0.168 0.000 1.332 177 I CB -0.486 37.102 38.000 -0.687 0.000 1.044 177 I HN 0.128 nan 8.210 nan 0.000 0.402 178 F N 1.071 120.974 119.950 -0.078 0.000 2.120 178 F HA -0.299 4.229 4.527 0.001 0.000 0.300 178 F C 2.621 178.436 175.800 0.026 0.000 1.095 178 F CA 1.660 59.638 58.000 -0.037 0.000 1.249 178 F CB -0.976 37.994 39.000 -0.050 0.000 0.995 178 F HN 0.043 nan 8.300 nan 0.000 0.480 179 A N -0.951 122.000 122.820 0.218 0.000 1.933 179 A HA -0.185 4.136 4.320 0.001 0.000 0.218 179 A C 1.993 179.675 177.584 0.162 0.000 1.175 179 A CA 1.429 53.558 52.037 0.154 0.000 0.628 179 A CB -0.459 18.609 19.000 0.113 0.000 0.814 179 A HN 0.352 nan 8.150 nan 0.000 0.444 180 Q N -0.488 119.445 119.800 0.222 0.000 2.360 180 Q HA -0.008 4.332 4.340 0.001 0.000 0.202 180 Q C 1.567 177.801 176.000 0.389 0.000 0.915 180 Q CA 0.887 56.864 55.803 0.289 0.000 0.943 180 Q CB 0.177 29.118 28.738 0.338 0.000 1.064 180 Q HN 0.969 nan 8.270 nan 0.000 0.511 181 K N -0.122 120.451 120.400 0.289 0.000 2.280 181 K HA -0.101 4.220 4.320 0.001 0.000 0.202 181 K C 0.398 177.106 176.600 0.180 0.000 1.047 181 K CA 1.435 57.858 56.287 0.228 0.000 0.942 181 K CB 0.240 32.789 32.500 0.082 0.000 0.739 181 K HN -0.102 nan 8.250 nan 0.000 0.457 182 D N 0.132 120.617 120.400 0.143 0.000 2.501 182 D HA 0.160 4.800 4.640 0.001 0.000 0.224 182 D C 0.204 176.552 176.300 0.080 0.000 1.202 182 D CA 0.033 54.088 54.000 0.092 0.000 0.829 182 D CB 0.762 41.603 40.800 0.068 0.000 1.023 182 D HN 0.261 nan 8.370 nan 0.000 0.499 183 K N -0.516 119.951 120.400 0.111 0.000 4.650 183 K HA 0.179 4.500 4.320 0.001 0.000 0.256 183 K C 1.261 177.895 176.600 0.058 0.000 1.139 183 K CA -0.632 55.704 56.287 0.082 0.000 1.927 183 K CB -0.159 32.397 32.500 0.093 0.000 2.928 183 K HN -0.192 nan 8.250 nan 0.000 0.661 184 F N 1.476 121.352 119.950 -0.123 0.000 2.141 184 F HA -0.197 4.329 4.527 -0.001 0.000 0.300 184 F C 1.403 176.979 175.800 -0.373 0.000 1.079 184 F CA 1.768 59.573 58.000 -0.325 0.000 1.264 184 F CB -0.002 38.653 39.000 -0.576 0.000 1.011 184 F HN 0.138 nan 8.300 nan 0.000 0.487 185 F N 0.597 120.578 119.950 0.051 0.000 2.727 185 F HA 0.146 4.676 4.527 0.004 0.000 0.302 185 F C 2.004 177.756 175.800 -0.080 0.000 1.097 185 F CA 0.161 58.138 58.000 -0.038 0.000 1.330 185 F CB -0.658 38.402 39.000 0.100 0.000 1.084 185 F HN -0.039 nan 8.300 nan 0.000 0.578 186 K N -0.129 120.300 120.400 0.049 0.000 2.103 186 K HA -0.169 4.151 4.320 0.001 0.000 0.207 186 K C 0.655 177.236 176.600 -0.032 0.000 1.048 186 K CA 2.015 58.313 56.287 0.020 0.000 0.930 186 K CB -0.314 32.190 32.500 0.007 0.000 0.716 186 K HN 0.102 nan 8.250 nan 0.000 0.444 187 D N 1.283 121.632 120.400 -0.086 0.000 2.355 187 D HA 0.026 4.667 4.640 0.001 0.000 0.218 187 D C 0.126 176.356 176.300 -0.117 0.000 1.004 187 D CA 0.169 54.106 54.000 -0.105 0.000 0.880 187 D CB 0.145 40.867 40.800 -0.130 0.000 0.911 187 D HN -0.018 nan 8.370 nan 0.000 0.528 188 V N 2.739 122.597 119.914 -0.094 0.000 2.509 188 V HA -0.091 4.030 4.120 0.001 0.000 0.297 188 V C 1.227 177.213 176.094 -0.180 0.000 1.014 188 V CA 0.688 62.925 62.300 -0.105 0.000 1.127 188 V CB 0.790 32.609 31.823 -0.007 0.000 0.925 188 V HN 0.072 nan 8.190 nan 0.000 0.480 189 D N 3.200 123.434 120.400 -0.277 0.000 2.338 189 D HA 0.108 4.748 4.640 0.001 0.000 0.208 189 D C -0.200 175.554 176.300 -0.910 0.000 0.997 189 D CA 1.067 54.717 54.000 -0.583 0.000 0.880 189 D CB 0.572 40.938 40.800 -0.722 0.000 0.980 189 D HN 0.603 nan 8.370 nan 0.000 0.509 190 Y N -0.626 119.542 120.300 -0.220 0.000 2.597 190 Y HA 0.420 4.970 4.550 0.000 0.000 0.340 190 Y C -0.502 175.242 175.900 -0.259 0.000 1.097 190 Y CA -1.142 56.727 58.100 -0.384 0.000 1.037 190 Y CB 1.913 39.931 38.460 -0.735 0.000 1.305 190 Y HN -0.427 nan 8.280 nan 0.000 0.463 191 V N 1.569 121.455 119.914 -0.047 0.000 2.487 191 V HA 0.535 4.655 4.120 0.001 0.000 0.298 191 V C -0.842 175.280 176.094 0.048 0.000 1.028 191 V CA -0.748 61.483 62.300 -0.115 0.000 0.860 191 V CB 1.582 33.218 31.823 -0.310 0.000 0.991 191 V HN 0.926 nan 8.190 nan 0.000 0.427 192 C N 6.715 126.005 119.300 -0.016 0.000 2.563 192 C HA 0.796 5.257 4.460 0.001 0.000 0.314 192 C C -0.658 174.333 174.990 0.002 0.000 1.199 192 C CA -0.416 58.615 59.018 0.021 0.000 1.564 192 C CB 0.466 28.239 27.740 0.055 0.000 2.173 192 C HN 0.855 nan 8.230 nan 0.000 0.485 193 I N 4.038 124.645 120.570 0.061 0.000 2.534 193 I HA 0.323 4.494 4.170 0.001 0.000 0.288 193 I C -0.273 175.955 176.117 0.184 0.000 1.077 193 I CA 0.064 61.454 61.300 0.150 0.000 1.051 193 I CB 2.038 40.092 38.000 0.091 0.000 1.234 193 I HN 0.587 nan 8.210 nan 0.000 0.425 194 S N 4.213 120.102 115.700 0.314 0.000 2.532 194 S HA 0.407 4.878 4.470 0.001 0.000 0.318 194 S C -0.616 174.034 174.600 0.083 0.000 1.083 194 S CA -0.219 58.060 58.200 0.132 0.000 1.131 194 S CB 0.083 63.294 63.200 0.019 0.000 0.973 194 S HN 0.682 nan 8.310 nan 0.000 0.468 195 D N 3.748 124.142 120.400 -0.010 0.000 3.629 195 D HA 0.197 4.837 4.640 0.001 0.000 0.306 195 D C -0.614 175.531 176.300 -0.258 0.000 1.431 195 D CA -0.244 53.736 54.000 -0.034 0.000 0.748 195 D CB -0.129 40.759 40.800 0.146 0.000 1.315 195 D HN 0.624 nan 8.370 nan 0.000 0.667 196 N N -1.239 117.135 118.700 -0.544 0.000 3.277 196 N HA 0.327 5.067 4.740 0.001 0.000 0.278 196 N C -1.326 173.518 175.510 -1.109 0.000 1.544 196 N CA -0.475 52.009 53.050 -0.943 0.000 0.869 196 N CB 0.810 39.106 38.487 -0.319 0.000 1.584 196 N HN -0.083 nan 8.380 nan 0.000 0.564 197 Y N -1.847 118.521 120.300 0.114 0.000 2.545 197 Y HA 0.523 5.074 4.550 0.001 0.000 0.348 197 Y C -0.392 175.662 175.900 0.256 0.000 1.002 197 Y CA -0.971 57.218 58.100 0.147 0.000 1.039 197 Y CB 0.803 39.325 38.460 0.103 0.000 1.271 197 Y HN 0.414 nan 8.280 nan 0.000 0.467 198 W N 2.486 123.855 121.300 0.116 0.000 2.148 198 W HA 0.086 4.746 4.660 0.001 0.000 0.347 198 W C 1.411 178.003 176.519 0.122 0.000 1.288 198 W CA -0.698 56.680 57.345 0.055 0.000 1.252 198 W CB 0.200 29.662 29.460 0.004 0.000 1.156 198 W HN 0.617 nan 8.180 nan 0.000 0.580 199 L N 2.387 123.791 121.223 0.303 0.000 2.072 199 L HA 0.235 4.575 4.340 0.001 0.000 0.205 199 L C 1.041 178.135 176.870 0.374 0.000 1.079 199 L CA 2.239 57.236 54.840 0.262 0.000 0.752 199 L CB -1.037 41.125 42.059 0.172 0.000 0.906 199 L HN 0.369 nan 8.230 nan 0.000 0.436 200 G N -1.751 107.274 108.800 0.375 0.000 3.176 200 G HA2 0.321 4.282 3.960 0.001 0.000 0.272 200 G HA3 0.321 4.282 3.960 0.001 0.000 0.272 200 G C -0.234 174.880 174.900 0.357 0.000 1.349 200 G CA -0.400 44.921 45.100 0.368 0.000 0.953 200 G HN 0.020 nan 8.290 nan 0.000 0.559 201 K N -0.533 120.028 120.400 0.270 0.000 2.358 201 K HA 0.159 4.480 4.320 0.001 0.000 0.197 201 K C 1.117 177.894 176.600 0.296 0.000 1.025 201 K CA 0.101 56.544 56.287 0.260 0.000 1.104 201 K CB 0.434 33.017 32.500 0.138 0.000 0.855 201 K HN 0.371 nan 8.250 nan 0.000 0.531 202 N N 0.477 119.325 118.700 0.247 0.000 2.454 202 N HA 0.026 4.767 4.740 0.001 0.000 0.177 202 N C -0.387 175.180 175.510 0.095 0.000 1.049 202 N CA 0.389 53.540 53.050 0.169 0.000 0.887 202 N CB 0.550 39.097 38.487 0.100 0.000 1.095 202 N HN -0.090 nan 8.380 nan 0.000 0.446 203 K N 0.851 121.210 120.400 -0.068 0.000 2.426 203 K HA 0.412 4.732 4.320 0.001 0.000 0.251 203 K C -2.817 173.119 176.600 -1.107 0.000 0.941 203 K CA -2.027 54.029 56.287 -0.384 0.000 0.808 203 K CB 2.390 34.755 32.500 -0.225 0.000 1.265 203 K HN -0.168 nan 8.250 nan 0.000 0.432 204 P HA 0.178 nan 4.420 nan 0.000 0.273 204 P C -0.547 176.139 177.300 -1.023 0.000 1.250 204 P CA -0.489 61.342 63.100 -2.115 0.000 0.793 204 P CB 0.551 31.482 31.700 -1.281 0.000 1.011 205 C N 0.378 119.194 119.300 -0.807 0.000 2.779 205 C HA 0.659 5.120 4.460 0.001 0.000 0.314 205 C C 0.129 174.990 174.990 -0.214 0.000 1.231 205 C CA -0.444 58.361 59.018 -0.356 0.000 1.652 205 C CB 1.177 28.786 27.740 -0.218 0.000 2.198 205 C HN 0.426 nan 8.230 nan 0.000 0.483 206 I N 1.203 121.704 120.570 -0.115 0.000 2.498 206 I HA 0.392 4.563 4.170 0.001 0.000 0.290 206 I C -0.204 175.940 176.117 0.044 0.000 1.032 206 I CA 0.139 61.412 61.300 -0.045 0.000 1.073 206 I CB 2.094 40.088 38.000 -0.010 0.000 1.251 206 I HN 0.569 nan 8.210 nan 0.000 0.426 207 T N 5.011 119.604 114.554 0.065 0.000 2.794 207 T HA 0.311 4.662 4.350 0.001 0.000 0.280 207 T C -0.049 174.821 174.700 0.282 0.000 0.987 207 T CA -0.116 62.016 62.100 0.054 0.000 0.993 207 T CB 0.715 69.572 68.868 -0.018 0.000 0.939 207 T HN 0.596 nan 8.240 nan 0.000 0.449 208 Y N 0.523 120.839 120.300 0.026 0.000 2.588 208 Y HA 0.705 5.256 4.550 0.001 0.000 0.247 208 Y C 0.313 175.779 175.900 -0.724 0.000 1.157 208 Y CA -0.873 57.178 58.100 -0.082 0.000 1.215 208 Y CB 0.396 38.857 38.460 0.002 0.000 1.245 208 Y HN 0.692 nan 8.280 nan 0.000 0.534 209 G N 0.973 109.244 108.800 -0.882 0.000 2.720 209 G HA2 0.615 4.576 3.960 0.001 0.000 0.295 209 G HA3 0.615 4.576 3.960 0.001 0.000 0.295 209 G C -2.280 172.495 174.900 -0.209 0.000 1.437 209 G CA -0.925 43.701 45.100 -0.789 0.000 0.886 209 G HN 0.158 nan 8.290 nan 0.000 0.509 210 L N 0.441 121.716 121.223 0.086 0.000 2.409 210 L HA 0.575 4.915 4.340 0.001 0.000 0.262 210 L C 0.313 177.248 176.870 0.108 0.000 0.992 210 L CA -1.087 53.849 54.840 0.161 0.000 0.817 210 L CB 2.753 45.011 42.059 0.332 0.000 1.350 210 L HN 0.530 nan 8.230 nan 0.000 0.411 211 R N 0.116 120.667 120.500 0.085 0.000 2.707 211 R HA 0.448 4.789 4.340 0.001 0.000 0.270 211 R C 0.376 176.742 176.300 0.110 0.000 1.083 211 R CA -0.088 56.069 56.100 0.095 0.000 1.182 211 R CB 0.433 30.797 30.300 0.105 0.000 1.084 211 R HN 0.777 nan 8.270 nan 0.000 0.528 212 G N 0.286 109.150 108.800 0.106 0.000 2.537 212 G HA2 0.566 4.527 3.960 0.001 0.000 0.297 212 G HA3 0.566 4.527 3.960 0.001 0.000 0.297 212 G C -0.948 174.017 174.900 0.107 0.000 1.310 212 G CA -0.590 44.570 45.100 0.101 0.000 1.027 212 G HN 0.513 nan 8.290 nan 0.000 0.505 213 I N -1.319 119.311 120.570 0.100 0.000 2.649 213 I HA 0.386 4.557 4.170 0.001 0.000 0.289 213 I C -1.385 174.784 176.117 0.087 0.000 1.222 213 I CA -0.620 60.751 61.300 0.117 0.000 1.046 213 I CB 1.482 39.569 38.000 0.145 0.000 1.272 213 I HN 0.466 nan 8.210 nan 0.000 0.425 214 C N 6.635 125.959 119.300 0.041 0.000 2.319 214 C HA 0.454 4.915 4.460 0.001 0.000 0.323 214 C C -0.636 174.137 174.990 -0.361 0.000 1.277 214 C CA -0.463 58.450 59.018 -0.175 0.000 1.517 214 C CB 0.742 28.392 27.740 -0.149 0.000 2.206 214 C HN 0.659 nan 8.230 nan 0.000 0.486 215 Y N 2.980 122.951 120.300 -0.548 0.000 2.331 215 Y HA 0.663 5.214 4.550 0.001 0.000 0.338 215 Y C -0.613 174.744 175.900 -0.906 0.000 0.976 215 Y CA -0.327 57.434 58.100 -0.566 0.000 1.137 215 Y CB 0.469 38.704 38.460 -0.375 0.000 1.172 215 Y HN 0.638 nan 8.280 nan 0.000 0.478 216 F N 4.895 124.346 119.950 -0.832 0.000 2.556 216 F HA 0.591 5.118 4.527 0.002 0.000 0.327 216 F C -1.193 174.063 175.800 -0.908 0.000 1.059 216 F CA -1.023 56.514 58.000 -0.773 0.000 0.953 216 F CB 1.355 39.664 39.000 -1.152 0.000 1.227 216 F HN 0.247 nan 8.300 nan 0.000 0.478 217 F N 2.454 122.231 119.950 -0.288 0.000 2.507 217 F HA 0.548 5.076 4.527 0.001 0.000 0.328 217 F C -0.545 175.045 175.800 -0.350 0.000 1.136 217 F CA -0.722 57.040 58.000 -0.398 0.000 0.930 217 F CB 1.403 39.848 39.000 -0.926 0.000 1.166 217 F HN 0.111 nan 8.300 nan 0.000 0.436 218 I N 2.786 123.388 120.570 0.052 0.000 2.328 218 I HA 0.293 4.463 4.170 0.001 0.000 0.287 218 I C -0.408 175.732 176.117 0.038 0.000 1.012 218 I CA -0.419 60.909 61.300 0.046 0.000 1.195 218 I CB 1.469 39.576 38.000 0.178 0.000 1.350 218 I HN 0.610 nan 8.210 nan 0.000 0.464 219 E N 6.486 126.656 120.200 -0.049 0.000 2.151 219 E HA 0.582 4.932 4.350 0.001 0.000 0.275 219 E C -1.556 175.030 176.600 -0.025 0.000 0.936 219 E CA -0.607 55.804 56.400 0.019 0.000 0.777 219 E CB 1.805 31.557 29.700 0.087 0.000 1.108 219 E HN 0.380 nan 8.360 nan 0.000 0.401 220 V N 4.341 124.285 119.914 0.050 0.000 2.588 220 V HA 0.380 4.501 4.120 0.001 0.000 0.304 220 V C -0.567 175.571 176.094 0.074 0.000 1.042 220 V CA -0.769 61.573 62.300 0.069 0.000 0.877 220 V CB 1.673 33.577 31.823 0.134 0.000 0.996 220 V HN 0.757 nan 8.190 nan 0.000 0.425 221 E N 2.944 123.186 120.200 0.070 0.000 2.256 221 E HA 0.442 4.793 4.350 0.001 0.000 0.268 221 E C 0.188 176.837 176.600 0.081 0.000 0.877 221 E CA -0.531 55.908 56.400 0.065 0.000 0.757 221 E CB 1.925 31.650 29.700 0.043 0.000 1.183 221 E HN 0.878 nan 8.360 nan 0.000 0.418 222 C N 1.904 121.248 119.300 0.073 0.000 3.580 222 C HA 0.539 5.000 4.460 0.001 0.000 0.337 222 C C 0.379 175.396 174.990 0.045 0.000 1.412 222 C CA 0.476 59.542 59.018 0.080 0.000 1.797 222 C CB -1.052 26.747 27.740 0.098 0.000 2.470 222 C HN 0.555 nan 8.230 nan 0.000 0.691 223 S N 0.542 116.255 115.700 0.021 0.000 2.615 223 S HA 0.444 4.915 4.470 0.001 0.000 0.268 223 S C -0.667 173.927 174.600 -0.010 0.000 1.146 223 S CA 0.378 58.571 58.200 -0.011 0.000 0.818 223 S CB 0.914 64.075 63.200 -0.065 0.000 1.111 223 S HN 0.368 nan 8.310 nan 0.000 0.465 224 D N -0.235 120.152 120.400 -0.021 0.000 2.349 224 D HA 0.197 4.838 4.640 0.001 0.000 0.214 224 D C 0.228 176.517 176.300 -0.018 0.000 1.063 224 D CA 0.106 54.099 54.000 -0.012 0.000 0.847 224 D CB -0.215 40.582 40.800 -0.005 0.000 0.933 224 D HN 0.778 nan 8.370 nan 0.000 0.513 225 K N -0.712 119.665 120.400 -0.039 0.000 2.546 225 K HA 0.384 4.705 4.320 0.001 0.000 0.264 225 K C -1.464 175.104 176.600 -0.054 0.000 0.937 225 K CA -0.915 55.350 56.287 -0.037 0.000 0.833 225 K CB 1.293 33.770 32.500 -0.037 0.000 1.378 225 K HN -0.367 nan 8.250 nan 0.000 0.432 226 D N 1.614 121.997 120.400 -0.027 0.000 2.449 226 D HA 0.157 4.798 4.640 0.001 0.000 0.236 226 D C -0.420 175.850 176.300 -0.050 0.000 1.149 226 D CA 0.331 54.316 54.000 -0.025 0.000 0.878 226 D CB 0.503 41.304 40.800 0.001 0.000 1.198 226 D HN 0.362 nan 8.370 nan 0.000 0.446 227 L N 1.829 123.020 121.223 -0.055 0.000 2.365 227 L HA 0.202 4.543 4.340 0.001 0.000 0.273 227 L C 0.386 177.330 176.870 0.124 0.000 1.000 227 L CA -0.996 53.809 54.840 -0.057 0.000 0.819 227 L CB 1.849 43.744 42.059 -0.273 0.000 1.284 227 L HN 0.392 nan 8.230 nan 0.000 0.418 228 H N 2.094 121.267 119.070 0.172 0.000 3.157 228 H HA -0.057 4.500 4.556 0.001 0.000 0.299 228 H C 1.064 176.501 175.328 0.182 0.000 0.961 228 H CA 0.744 56.886 56.048 0.158 0.000 1.428 228 H CB 1.258 31.107 29.762 0.145 0.000 1.459 228 H HN 0.824 nan 8.280 nan 0.000 0.566 229 S N 2.464 118.170 115.700 0.010 0.000 2.447 229 S HA -0.076 4.395 4.470 0.001 0.000 0.233 229 S C 2.131 176.834 174.600 0.171 0.000 1.006 229 S CA 0.608 58.861 58.200 0.089 0.000 0.957 229 S CB -0.051 63.145 63.200 -0.008 0.000 0.773 229 S HN 0.666 nan 8.310 nan 0.000 0.507 230 G N 1.389 110.391 108.800 0.336 0.000 2.395 230 G HA2 -0.020 3.941 3.960 0.001 0.000 0.214 230 G HA3 -0.020 3.941 3.960 0.001 0.000 0.214 230 G C 1.395 176.365 174.900 0.117 0.000 1.177 230 G CA 0.751 46.001 45.100 0.250 0.000 0.794 230 G HN 0.458 nan 8.290 nan 0.000 0.532 231 V N -0.280 119.693 119.914 0.099 0.000 2.343 231 V HA -0.140 3.981 4.120 0.001 0.000 0.247 231 V C 2.181 178.063 176.094 -0.353 0.000 1.051 231 V CA 1.459 63.617 62.300 -0.236 0.000 1.036 231 V CB -0.576 31.009 31.823 -0.397 0.000 0.654 231 V HN 0.464 nan 8.190 nan 0.000 0.451 232 Y N 0.046 120.390 120.300 0.073 0.000 2.442 232 Y HA 0.467 5.018 4.550 0.001 0.000 0.250 232 Y C 1.709 177.627 175.900 0.030 0.000 1.113 232 Y CA -0.149 57.977 58.100 0.045 0.000 1.273 232 Y CB -0.137 38.354 38.460 0.051 0.000 1.138 232 Y HN 0.232 nan 8.280 nan 0.000 0.522 233 G N -0.040 108.848 108.800 0.148 0.000 2.343 233 G HA2 0.377 4.338 3.960 0.001 0.000 0.254 233 G HA3 0.377 4.338 3.960 0.001 0.000 0.254 233 G C 1.054 175.979 174.900 0.042 0.000 1.277 233 G CA 0.476 45.628 45.100 0.087 0.000 0.909 233 G HN 0.574 nan 8.290 nan 0.000 0.502 234 G N 1.316 110.130 108.800 0.023 0.000 2.195 234 G HA2 -0.284 3.677 3.960 0.001 0.000 0.246 234 G HA3 -0.284 3.677 3.960 0.001 0.000 0.246 234 G C 1.304 176.196 174.900 -0.014 0.000 0.984 234 G CA 0.801 45.898 45.100 -0.006 0.000 0.633 234 G HN 0.962 nan 8.290 nan 0.000 0.525 235 S N -1.142 114.570 115.700 0.020 0.000 2.539 235 S HA 0.430 4.900 4.470 0.001 0.000 0.226 235 S C 0.792 175.411 174.600 0.032 0.000 1.054 235 S CA 0.778 58.996 58.200 0.031 0.000 0.910 235 S CB 0.941 64.187 63.200 0.076 0.000 0.818 235 S HN 1.517 nan 8.310 nan 0.000 0.490 236 V N 0.528 120.472 119.914 0.050 0.000 2.667 236 V HA 0.597 4.718 4.120 0.001 0.000 0.308 236 V C -0.986 175.101 176.094 -0.011 0.000 1.048 236 V CA -0.960 61.373 62.300 0.055 0.000 0.928 236 V CB 0.836 32.722 31.823 0.105 0.000 1.004 236 V HN 0.236 nan 8.190 nan 0.000 0.444 237 H N 2.282 121.387 119.070 0.058 0.000 3.089 237 H HA 0.308 4.865 4.556 0.001 0.000 0.262 237 H C 0.190 175.557 175.328 0.064 0.000 1.160 237 H CA 0.256 56.336 56.048 0.053 0.000 1.482 237 H CB 0.125 29.917 29.762 0.049 0.000 1.511 237 H HN 0.751 nan 8.280 nan 0.000 0.483 238 E N 2.133 122.419 120.200 0.142 0.000 2.360 238 E HA 0.126 4.476 4.350 0.001 0.000 0.269 238 E C 0.819 177.499 176.600 0.134 0.000 1.022 238 E CA -0.056 56.413 56.400 0.115 0.000 0.887 238 E CB 1.291 31.041 29.700 0.083 0.000 0.990 238 E HN 0.758 nan 8.360 nan 0.000 0.426 239 A N 4.471 127.364 122.820 0.122 0.000 1.917 239 A HA -0.236 4.084 4.320 0.001 0.000 0.219 239 A C 1.933 179.592 177.584 0.124 0.000 1.182 239 A CA 1.477 53.592 52.037 0.130 0.000 0.633 239 A CB -0.240 18.823 19.000 0.105 0.000 0.819 239 A HN 0.598 nan 8.150 nan 0.000 0.448 240 M N -0.446 119.216 119.600 0.103 0.000 2.159 240 M HA -0.102 4.378 4.480 0.001 0.000 0.263 240 M C 2.184 178.537 176.300 0.089 0.000 1.063 240 M CA 1.950 57.306 55.300 0.093 0.000 1.110 240 M CB -1.800 30.850 32.600 0.082 0.000 1.374 240 M HN 0.493 nan 8.290 nan 0.000 0.411 241 T N 0.764 115.373 114.554 0.090 0.000 2.652 241 T HA -0.156 4.195 4.350 0.001 0.000 0.267 241 T C 1.365 176.117 174.700 0.087 0.000 1.039 241 T CA 1.676 63.824 62.100 0.079 0.000 1.153 241 T CB -0.340 68.576 68.868 0.079 0.000 0.863 241 T HN 0.291 nan 8.240 nan 0.000 0.428 242 D N 0.919 121.394 120.400 0.125 0.000 2.092 242 D HA -0.060 4.581 4.640 0.001 0.000 0.193 242 D C 2.045 178.433 176.300 0.146 0.000 0.994 242 D CA 0.694 54.791 54.000 0.162 0.000 0.828 242 D CB -0.593 40.379 40.800 0.287 0.000 0.963 242 D HN 0.181 nan 8.370 nan 0.000 0.450 243 L N 0.592 121.899 121.223 0.139 0.000 2.056 243 L HA -0.104 4.237 4.340 0.001 0.000 0.207 243 L C 1.993 178.909 176.870 0.076 0.000 1.078 243 L CA 1.271 56.184 54.840 0.122 0.000 0.749 243 L CB -0.337 41.794 42.059 0.119 0.000 0.901 243 L HN -0.032 nan 8.230 nan 0.000 0.433 244 I N -0.914 119.693 120.570 0.062 0.000 2.286 244 I HA -0.248 3.923 4.170 0.001 0.000 0.248 244 I C 2.662 178.787 176.117 0.014 0.000 1.115 244 I CA 1.535 62.856 61.300 0.035 0.000 1.392 244 I CB -1.473 36.549 38.000 0.036 0.000 1.065 244 I HN 0.391 nan 8.210 nan 0.000 0.418 245 S N 1.122 116.834 115.700 0.021 0.000 2.351 245 S HA -0.145 4.325 4.470 0.001 0.000 0.220 245 S C 2.162 176.745 174.600 -0.029 0.000 1.035 245 S CA 1.286 59.484 58.200 -0.004 0.000 1.031 245 S CB -0.299 62.900 63.200 -0.002 0.000 0.928 245 S HN 0.365 nan 8.310 nan 0.000 0.433 246 L N 0.662 121.875 121.223 -0.016 0.000 2.043 246 L HA -0.175 4.166 4.340 0.001 0.000 0.212 246 L C 2.684 179.498 176.870 -0.094 0.000 1.075 246 L CA 1.595 56.404 54.840 -0.052 0.000 0.752 246 L CB -0.566 41.509 42.059 0.027 0.000 0.891 246 L HN 0.421 nan 8.230 nan 0.000 0.432 247 M N -0.740 118.818 119.600 -0.071 0.000 2.394 247 M HA -0.044 4.436 4.480 0.001 0.000 0.264 247 M C 1.971 178.193 176.300 -0.130 0.000 1.073 247 M CA 1.346 56.566 55.300 -0.132 0.000 1.111 247 M CB -0.446 32.114 32.600 -0.067 0.000 1.401 247 M HN 0.309 nan 8.290 nan 0.000 0.448 248 G N -0.492 108.261 108.800 -0.079 0.000 2.985 248 G HA2 -0.035 3.925 3.960 0.001 0.000 0.209 248 G HA3 -0.035 3.925 3.960 0.001 0.000 0.209 248 G C 0.915 175.784 174.900 -0.051 0.000 1.165 248 G CA 0.270 45.334 45.100 -0.060 0.000 0.776 248 G HN 0.662 nan 8.290 nan 0.000 0.541 249 C N -0.692 118.577 119.300 -0.052 0.000 2.742 249 C HA 0.666 5.127 4.460 0.001 0.000 0.283 249 C C 1.650 176.674 174.990 0.056 0.000 1.451 249 C CA -0.716 58.307 59.018 0.009 0.000 1.785 249 C CB -1.307 26.445 27.740 0.021 0.000 2.664 249 C HN 0.186 nan 8.230 nan 0.000 0.544 250 L N 0.074 121.263 121.223 -0.058 0.000 2.316 250 L HA 0.365 4.705 4.340 0.001 0.000 0.207 250 L C 0.701 177.513 176.870 -0.096 0.000 1.070 250 L CA 0.679 55.453 54.840 -0.110 0.000 0.820 250 L CB 0.302 42.151 42.059 -0.351 0.000 0.992 250 L HN 0.316 nan 8.230 nan 0.000 0.466 251 V N 0.742 120.605 119.914 -0.084 0.000 2.711 251 V HA 0.218 4.339 4.120 0.001 0.000 0.304 251 V C -1.307 174.756 176.094 -0.051 0.000 1.097 251 V CA -0.945 61.318 62.300 -0.062 0.000 0.906 251 V CB 1.977 33.767 31.823 -0.055 0.000 1.015 251 V HN 0.340 nan 8.190 nan 0.000 0.427 252 D N 5.410 125.783 120.400 -0.045 0.000 2.376 252 D HA 0.158 4.798 4.640 0.001 0.000 0.268 252 D C 1.003 177.274 176.300 -0.049 0.000 1.252 252 D CA 0.196 54.169 54.000 -0.044 0.000 1.041 252 D CB 0.485 41.260 40.800 -0.042 0.000 1.109 252 D HN 0.604 nan 8.370 nan 0.000 0.552 253 K N -1.266 119.103 120.400 -0.051 0.000 2.459 253 K HA 0.057 4.378 4.320 0.001 0.000 0.193 253 K C 0.657 177.208 176.600 -0.082 0.000 1.030 253 K CA 0.224 56.476 56.287 -0.059 0.000 1.026 253 K CB 0.041 32.510 32.500 -0.051 0.000 0.809 253 K HN 0.080 nan 8.250 nan 0.000 0.504 254 K N 0.429 120.775 120.400 -0.090 0.000 2.372 254 K HA 0.134 4.454 4.320 0.001 0.000 0.200 254 K C 0.845 177.362 176.600 -0.138 0.000 1.022 254 K CA 0.582 56.787 56.287 -0.137 0.000 1.125 254 K CB 1.022 33.447 32.500 -0.126 0.000 0.855 254 K HN 0.459 nan 8.250 nan 0.000 0.524 255 G N 1.667 110.419 108.800 -0.080 0.000 2.175 255 G HA2 -0.275 3.685 3.960 0.001 0.000 0.244 255 G HA3 -0.275 3.685 3.960 0.001 0.000 0.244 255 G C -0.138 174.760 174.900 -0.002 0.000 0.982 255 G CA -0.046 45.033 45.100 -0.034 0.000 0.641 255 G HN 0.238 nan 8.290 nan 0.000 0.527 256 K N 0.587 120.973 120.400 -0.023 0.000 2.298 256 K HA 0.604 4.925 4.320 0.001 0.000 0.280 256 K C 0.875 177.461 176.600 -0.023 0.000 1.032 256 K CA -0.243 56.035 56.287 -0.016 0.000 0.958 256 K CB 0.788 33.269 32.500 -0.033 0.000 0.978 256 K HN 0.346 nan 8.250 nan 0.000 0.472 257 I N 4.491 125.052 120.570 -0.016 0.000 2.441 257 I HA 0.010 4.181 4.170 0.001 0.000 0.287 257 I C 0.735 176.802 176.117 -0.083 0.000 1.049 257 I CA -0.045 61.233 61.300 -0.037 0.000 1.381 257 I CB 0.580 38.577 38.000 -0.006 0.000 1.409 257 I HN 0.470 nan 8.210 nan 0.000 0.523 258 L N 6.467 127.616 121.223 -0.124 0.000 2.640 258 L HA 0.304 4.644 4.340 0.001 0.000 0.230 258 L C 0.507 177.127 176.870 -0.418 0.000 1.123 258 L CA -0.097 54.636 54.840 -0.178 0.000 0.900 258 L CB -0.092 41.910 42.059 -0.095 0.000 1.146 258 L HN 0.507 nan 8.230 nan 0.000 0.484 259 I N 2.182 122.474 120.570 -0.464 0.000 2.587 259 I HA 0.044 4.215 4.170 0.001 0.000 0.284 259 I C -1.926 173.925 176.117 -0.443 0.000 1.134 259 I CA -1.527 59.340 61.300 -0.722 0.000 1.410 259 I CB 0.097 37.898 38.000 -0.332 0.000 1.392 259 I HN -0.202 nan 8.210 nan 0.000 0.545 260 P HA 0.064 nan 4.420 nan 0.000 0.264 260 P C 0.808 178.042 177.300 -0.109 0.000 1.193 260 P CA 0.564 63.540 63.100 -0.206 0.000 0.763 260 P CB 0.702 32.318 31.700 -0.140 0.000 0.810 261 G N 2.936 111.697 108.800 -0.065 0.000 2.175 261 G HA2 -0.330 3.631 3.960 0.001 0.000 0.244 261 G HA3 -0.330 3.631 3.960 0.001 0.000 0.244 261 G C 0.847 175.744 174.900 -0.006 0.000 0.982 261 G CA 0.215 45.302 45.100 -0.021 0.000 0.641 261 G HN 0.533 nan 8.290 nan 0.000 0.527 262 I N 1.442 121.999 120.570 -0.022 0.000 2.226 262 I HA 0.031 4.202 4.170 0.001 0.000 0.245 262 I C 1.911 178.047 176.117 0.032 0.000 1.100 262 I CA 2.350 63.656 61.300 0.010 0.000 1.374 262 I CB -0.293 37.705 38.000 -0.004 0.000 1.057 262 I HN 0.394 nan 8.210 nan 0.000 0.413 263 N N 0.094 118.806 118.700 0.020 0.000 2.461 263 N HA -0.079 4.662 4.740 0.001 0.000 0.188 263 N C 0.715 176.251 175.510 0.043 0.000 1.134 263 N CA 0.219 53.294 53.050 0.040 0.000 0.878 263 N CB 0.056 38.559 38.487 0.026 0.000 0.972 263 N HN 0.333 nan 8.380 nan 0.000 0.456 264 D N 0.685 121.105 120.400 0.033 0.000 2.234 264 D HA 0.012 4.652 4.640 0.001 0.000 0.205 264 D C 1.479 177.800 176.300 0.037 0.000 0.962 264 D CA 0.472 54.490 54.000 0.031 0.000 0.855 264 D CB 0.072 40.886 40.800 0.023 0.000 0.951 264 D HN 0.243 nan 8.370 nan 0.000 0.500 265 A N 0.297 123.143 122.820 0.043 0.000 2.308 265 A HA 0.197 4.517 4.320 0.001 0.000 0.217 265 A C 0.761 178.373 177.584 0.045 0.000 1.216 265 A CA -0.175 51.888 52.037 0.043 0.000 0.864 265 A CB 0.197 19.225 19.000 0.046 0.000 0.902 265 A HN -0.020 nan 8.150 nan 0.000 0.499 266 V N 1.376 121.324 119.914 0.057 0.000 2.585 266 V HA 0.315 4.436 4.120 0.001 0.000 0.296 266 V C 1.066 177.183 176.094 0.039 0.000 1.035 266 V CA -0.143 62.195 62.300 0.063 0.000 1.084 266 V CB 0.406 32.299 31.823 0.118 0.000 0.953 266 V HN 0.510 nan 8.190 nan 0.000 0.483 267 A N 8.432 131.256 122.820 0.007 0.000 2.488 267 A HA 0.459 4.779 4.320 0.001 0.000 0.249 267 A C -1.573 176.001 177.584 -0.016 0.000 1.083 267 A CA -0.950 51.080 52.037 -0.011 0.000 0.768 267 A CB -0.423 18.558 19.000 -0.032 0.000 1.017 267 A HN 0.758 nan 8.150 nan 0.000 0.496 268 P HA 0.122 nan 4.420 nan 0.000 0.267 268 P C -0.354 176.928 177.300 -0.031 0.000 1.200 268 P CA -0.121 62.982 63.100 0.004 0.000 0.772 268 P CB 0.397 32.104 31.700 0.012 0.000 0.855 269 V N 2.795 122.688 119.914 -0.035 0.000 2.479 269 V HA 0.073 4.194 4.120 0.001 0.000 0.281 269 V C 1.416 177.471 176.094 -0.064 0.000 1.031 269 V CA 0.420 62.656 62.300 -0.107 0.000 1.038 269 V CB 0.401 32.151 31.823 -0.121 0.000 0.981 269 V HN 0.728 nan 8.190 nan 0.000 0.478 270 T N 2.411 116.920 114.554 -0.074 0.000 2.849 270 T HA 0.183 4.534 4.350 0.001 0.000 0.276 270 T C 1.055 175.791 174.700 0.060 0.000 0.971 270 T CA 0.082 62.180 62.100 -0.003 0.000 0.949 270 T CB 1.073 69.942 68.868 0.000 0.000 1.093 270 T HN 0.852 nan 8.240 nan 0.000 0.545 271 D N -0.100 120.357 120.400 0.095 0.000 2.123 271 D HA -0.089 4.552 4.640 0.001 0.000 0.200 271 D C 1.727 178.108 176.300 0.134 0.000 0.976 271 D CA 1.393 55.476 54.000 0.138 0.000 0.831 271 D CB -0.163 40.687 40.800 0.083 0.000 0.974 271 D HN 0.846 nan 8.370 nan 0.000 0.469 272 E N 0.542 120.789 120.200 0.079 0.000 2.122 272 E HA -0.100 4.251 4.350 0.001 0.000 0.190 272 E C 1.440 178.075 176.600 0.059 0.000 0.977 272 E CA 0.507 56.945 56.400 0.064 0.000 0.820 272 E CB -0.388 29.332 29.700 0.034 0.000 0.770 272 E HN 0.230 nan 8.360 nan 0.000 0.462 273 E N 0.086 120.307 120.200 0.035 0.000 2.296 273 E HA -0.025 4.325 4.350 0.001 0.000 0.196 273 E C 0.417 177.037 176.600 0.034 0.000 1.143 273 E CA -0.168 56.236 56.400 0.006 0.000 1.145 273 E CB 0.137 29.842 29.700 0.008 0.000 1.215 273 E HN 0.321 nan 8.360 nan 0.000 0.447 274 H N -1.131 118.002 119.070 0.105 0.000 2.545 274 H HA 0.206 4.763 4.556 0.001 0.000 0.283 274 H C 1.769 177.171 175.328 0.123 0.000 0.997 274 H CA 0.995 57.137 56.048 0.156 0.000 1.269 274 H CB 0.450 30.269 29.762 0.095 0.000 1.451 274 H HN 0.291 nan 8.280 nan 0.000 0.508 275 A N 1.256 124.197 122.820 0.201 0.000 2.070 275 A HA -0.070 4.250 4.320 0.001 0.000 0.220 275 A C 2.434 180.097 177.584 0.132 0.000 1.159 275 A CA 0.727 52.855 52.037 0.151 0.000 0.656 275 A CB -0.731 18.342 19.000 0.121 0.000 0.800 275 A HN 0.285 nan 8.150 nan 0.000 0.453 276 L N -2.259 118.959 121.223 -0.007 0.000 2.093 276 L HA -0.189 4.152 4.340 0.001 0.000 0.208 276 L C 2.394 179.167 176.870 -0.161 0.000 1.085 276 L CA 1.416 56.166 54.840 -0.150 0.000 0.755 276 L CB -0.632 41.222 42.059 -0.341 0.000 0.904 276 L HN 0.519 nan 8.230 nan 0.000 0.435 277 Y N 0.348 120.665 120.300 0.029 0.000 2.395 277 Y HA -0.159 4.392 4.550 0.001 0.000 0.293 277 Y C 2.481 178.360 175.900 -0.035 0.000 1.123 277 Y CA 0.623 58.683 58.100 -0.067 0.000 1.227 277 Y CB -0.263 38.108 38.460 -0.148 0.000 1.012 277 Y HN 0.360 nan 8.280 nan 0.000 0.552 278 D N -1.218 119.238 120.400 0.094 0.000 2.178 278 D HA -0.178 4.463 4.640 0.001 0.000 0.202 278 D C 1.409 177.638 176.300 -0.120 0.000 0.974 278 D CA 1.411 55.385 54.000 -0.043 0.000 0.841 278 D CB -0.752 39.968 40.800 -0.133 0.000 0.953 278 D HN 0.441 nan 8.370 nan 0.000 0.478 279 H N 0.093 119.182 119.070 0.032 0.000 2.482 279 H HA 0.109 4.666 4.556 0.001 0.000 0.286 279 H C 0.862 176.208 175.328 0.029 0.000 1.017 279 H CA 0.019 56.078 56.048 0.018 0.000 1.322 279 H CB 0.586 30.345 29.762 -0.006 0.000 1.426 279 H HN 0.112 nan 8.280 nan 0.000 0.546 280 I N 2.457 123.116 120.570 0.148 0.000 2.683 280 I HA -0.118 4.053 4.170 0.001 0.000 0.286 280 I C 0.422 176.627 176.117 0.145 0.000 1.175 280 I CA 0.130 61.512 61.300 0.137 0.000 1.429 280 I CB 0.029 38.116 38.000 0.145 0.000 1.371 280 I HN 0.079 nan 8.210 nan 0.000 0.569 281 D N 6.565 127.047 120.400 0.136 0.000 2.338 281 D HA 0.311 4.952 4.640 0.001 0.000 0.255 281 D C -1.051 175.403 176.300 0.257 0.000 1.237 281 D CA 0.210 54.297 54.000 0.145 0.000 0.883 281 D CB 0.179 41.035 40.800 0.092 0.000 1.087 281 D HN 0.289 nan 8.370 nan 0.000 0.485 282 F N 3.414 123.387 119.950 0.038 0.000 2.651 282 F HA 0.227 4.755 4.527 0.001 0.000 0.329 282 F C -1.899 173.918 175.800 0.028 0.000 1.186 282 F CA -1.158 56.860 58.000 0.031 0.000 1.046 282 F CB 1.614 40.610 39.000 -0.006 0.000 1.296 282 F HN 0.092 nan 8.300 nan 0.000 0.497 283 D N 6.776 126.879 120.400 -0.495 0.000 2.454 283 D HA 0.272 4.912 4.640 0.001 0.000 0.225 283 D C 0.908 176.806 176.300 -0.671 0.000 1.081 283 D CA -0.227 53.514 54.000 -0.431 0.000 0.864 283 D CB 1.071 41.773 40.800 -0.163 0.000 1.040 283 D HN 0.723 nan 8.370 nan 0.000 0.517 284 M N 1.853 121.073 119.600 -0.634 0.000 2.159 284 M HA -0.136 4.345 4.480 0.001 0.000 0.263 284 M C 1.582 177.840 176.300 -0.071 0.000 1.063 284 M CA 1.178 56.264 55.300 -0.357 0.000 1.110 284 M CB 0.079 32.603 32.600 -0.127 0.000 1.374 284 M HN 0.385 nan 8.290 nan 0.000 0.411 285 E N 0.286 120.439 120.200 -0.079 0.000 2.077 285 E HA -0.236 4.115 4.350 0.001 0.000 0.193 285 E C 1.800 178.391 176.600 -0.016 0.000 0.989 285 E CA 1.427 57.809 56.400 -0.029 0.000 0.800 285 E CB -0.423 29.257 29.700 -0.033 0.000 0.746 285 E HN 0.505 nan 8.360 nan 0.000 0.452 286 E N 0.636 120.819 120.200 -0.028 0.000 2.072 286 E HA -0.156 4.194 4.350 0.001 0.000 0.191 286 E C 1.818 178.452 176.600 0.057 0.000 0.985 286 E CA 0.632 57.034 56.400 0.003 0.000 0.801 286 E CB -0.419 29.282 29.700 0.002 0.000 0.750 286 E HN 0.185 nan 8.360 nan 0.000 0.452 287 F N 0.822 120.716 119.950 -0.094 0.000 2.065 287 F HA -0.225 4.302 4.527 0.001 0.000 0.298 287 F C 2.050 177.867 175.800 0.027 0.000 1.112 287 F CA 2.071 60.079 58.000 0.013 0.000 1.212 287 F CB -0.890 38.142 39.000 0.053 0.000 0.975 287 F HN 0.111 nan 8.300 nan 0.000 0.476 288 A N 0.159 122.970 122.820 -0.015 0.000 1.902 288 A HA -0.234 4.087 4.320 0.001 0.000 0.217 288 A C 2.331 179.848 177.584 -0.112 0.000 1.181 288 A CA 1.877 53.846 52.037 -0.112 0.000 0.623 288 A CB -0.925 18.072 19.000 -0.005 0.000 0.818 288 A HN 0.515 nan 8.150 nan 0.000 0.443 289 K N -0.512 119.851 120.400 -0.061 0.000 2.097 289 K HA -0.203 4.118 4.320 0.001 0.000 0.206 289 K C 1.007 177.566 176.600 -0.068 0.000 1.049 289 K CA 1.674 57.929 56.287 -0.053 0.000 0.933 289 K CB -0.262 32.221 32.500 -0.030 0.000 0.717 289 K HN 0.300 nan 8.250 nan 0.000 0.442 290 D N 0.469 120.824 120.400 -0.076 0.000 2.263 290 D HA -0.115 4.526 4.640 0.001 0.000 0.208 290 D C 1.471 177.702 176.300 -0.115 0.000 0.971 290 D CA 1.301 55.254 54.000 -0.077 0.000 0.867 290 D CB 0.339 41.108 40.800 -0.052 0.000 0.929 290 D HN 0.302 nan 8.370 nan 0.000 0.492 291 V N -4.190 115.627 119.914 -0.162 0.000 3.319 291 V HA 0.509 4.630 4.120 0.001 0.000 0.317 291 V C 1.178 177.202 176.094 -0.117 0.000 1.411 291 V CA 0.292 62.498 62.300 -0.158 0.000 1.112 291 V CB 0.100 31.790 31.823 -0.221 0.000 1.031 291 V HN 0.104 nan 8.190 nan 0.000 0.448 292 G N 0.602 109.344 108.800 -0.095 0.000 2.249 292 G HA2 -0.048 3.913 3.960 0.001 0.000 0.273 292 G HA3 -0.048 3.913 3.960 0.001 0.000 0.273 292 G C 0.260 175.121 174.900 -0.065 0.000 1.036 292 G CA 0.417 45.475 45.100 -0.069 0.000 0.824 292 G HN 1.797 nan 8.290 nan 0.000 0.504 293 A N -0.559 122.214 122.820 -0.078 0.000 2.292 293 A HA 0.764 5.085 4.320 0.001 0.000 0.319 293 A C 1.096 178.655 177.584 -0.043 0.000 1.206 293 A CA -0.108 51.892 52.037 -0.062 0.000 0.835 293 A CB 0.667 19.621 19.000 -0.077 0.000 1.164 293 A HN 0.210 nan 8.150 nan 0.000 0.505 294 E N 0.851 121.032 120.200 -0.031 0.000 2.190 294 E HA 0.003 4.354 4.350 0.001 0.000 0.191 294 E C 0.683 177.275 176.600 -0.014 0.000 0.978 294 E CA 1.431 57.818 56.400 -0.022 0.000 0.839 294 E CB 0.223 29.911 29.700 -0.020 0.000 0.787 294 E HN 0.732 nan 8.360 nan 0.000 0.473 295 T N -0.603 113.943 114.554 -0.014 0.000 2.909 295 T HA 0.576 4.926 4.350 0.001 0.000 0.299 295 T C -0.511 174.189 174.700 0.001 0.000 1.073 295 T CA -0.787 61.310 62.100 -0.005 0.000 0.999 295 T CB 1.117 69.976 68.868 -0.014 0.000 1.098 295 T HN -0.120 nan 8.240 nan 0.000 0.477 296 L N 3.192 124.431 121.223 0.026 0.000 2.376 296 L HA 0.546 4.887 4.340 0.001 0.000 0.267 296 L C 1.232 178.095 176.870 -0.013 0.000 1.035 296 L CA -1.142 53.731 54.840 0.056 0.000 0.800 296 L CB 0.668 42.829 42.059 0.170 0.000 1.290 296 L HN 0.567 nan 8.230 nan 0.000 0.462 297 L N -0.193 121.005 121.223 -0.042 0.000 2.291 297 L HA 0.056 4.397 4.340 0.001 0.000 0.214 297 L C 0.323 176.815 176.870 -0.630 0.000 1.120 297 L CA 1.451 56.123 54.840 -0.280 0.000 0.799 297 L CB -0.562 41.347 42.059 -0.250 0.000 0.925 297 L HN 0.396 nan 8.230 nan 0.000 0.446 298 H N -2.424 116.630 119.070 -0.027 0.000 2.851 298 H HA 0.353 4.910 4.556 0.001 0.000 0.372 298 H C 0.634 175.969 175.328 0.011 0.000 1.158 298 H CA 0.291 56.316 56.048 -0.038 0.000 1.159 298 H CB 1.572 31.296 29.762 -0.063 0.000 1.757 298 H HN -0.066 nan 8.280 nan 0.000 0.546 299 S N 0.169 115.937 115.700 0.113 0.000 2.503 299 S HA 0.060 4.530 4.470 0.001 0.000 0.215 299 S C 1.052 175.692 174.600 0.067 0.000 1.003 299 S CA -0.221 58.020 58.200 0.068 0.000 0.910 299 S CB -0.265 62.954 63.200 0.032 0.000 0.790 299 S HN 0.628 nan 8.310 nan 0.000 0.514 300 C N 1.073 120.418 119.300 0.075 0.000 2.493 300 C HA 0.689 5.150 4.460 0.001 0.000 0.326 300 C C 1.526 176.549 174.990 0.056 0.000 1.200 300 C CA -1.030 58.019 59.018 0.051 0.000 1.739 300 C CB 1.475 29.232 27.740 0.028 0.000 2.300 300 C HN 0.497 nan 8.230 nan 0.000 0.500 301 K N 2.080 122.517 120.400 0.063 0.000 2.090 301 K HA -0.322 3.999 4.320 0.001 0.000 0.218 301 K C 2.065 178.664 176.600 -0.002 0.000 1.055 301 K CA 2.709 59.064 56.287 0.113 0.000 0.941 301 K CB -0.246 32.328 32.500 0.123 0.000 0.722 301 K HN 0.882 nan 8.250 nan 0.000 0.458 302 K N -0.172 120.191 120.400 -0.061 0.000 2.057 302 K HA -0.162 4.159 4.320 0.001 0.000 0.206 302 K C 1.546 177.946 176.600 -0.333 0.000 1.050 302 K CA 1.948 58.108 56.287 -0.212 0.000 0.935 302 K CB -0.015 32.428 32.500 -0.096 0.000 0.715 302 K HN 0.228 nan 8.250 nan 0.000 0.439 303 D N 0.866 121.175 120.400 -0.153 0.000 2.123 303 D HA -0.120 4.521 4.640 0.001 0.000 0.200 303 D C 1.984 178.187 176.300 -0.161 0.000 0.976 303 D CA 0.696 54.623 54.000 -0.123 0.000 0.831 303 D CB -0.028 40.748 40.800 -0.039 0.000 0.974 303 D HN 0.152 nan 8.370 nan 0.000 0.469 304 I N 1.160 121.680 120.570 -0.083 0.000 2.091 304 I HA -0.266 3.904 4.170 0.001 0.000 0.239 304 I C 2.574 178.552 176.117 -0.232 0.000 1.061 304 I CA 1.067 62.348 61.300 -0.031 0.000 1.317 304 I CB -1.064 37.012 38.000 0.127 0.000 1.031 304 I HN 0.077 nan 8.210 nan 0.000 0.401 305 L N -0.589 120.364 121.223 -0.450 0.000 2.046 305 L HA -0.231 4.110 4.340 0.001 0.000 0.208 305 L C 2.711 179.058 176.870 -0.870 0.000 1.077 305 L CA 1.316 55.658 54.840 -0.829 0.000 0.747 305 L CB -0.498 40.959 42.059 -1.004 0.000 0.896 305 L HN 0.223 nan 8.230 nan 0.000 0.432 306 M N -1.222 117.888 119.600 -0.817 0.000 2.159 306 M HA -0.196 4.284 4.480 0.001 0.000 0.263 306 M C 2.066 178.156 176.300 -0.350 0.000 1.063 306 M CA 1.488 56.382 55.300 -0.678 0.000 1.110 306 M CB -0.575 31.611 32.600 -0.689 0.000 1.374 306 M HN 0.297 nan 8.290 nan 0.000 0.411 307 H N -0.555 118.436 119.070 -0.132 0.000 2.555 307 H HA 0.067 4.624 4.556 0.001 0.000 0.269 307 H C 1.834 177.210 175.328 0.080 0.000 0.988 307 H CA 0.781 56.858 56.048 0.048 0.000 1.178 307 H CB 0.133 29.844 29.762 -0.085 0.000 1.373 307 H HN 0.423 nan 8.280 nan 0.000 0.588 308 R N -0.658 119.901 120.500 0.099 0.000 2.128 308 R HA -0.041 4.300 4.340 0.001 0.000 0.211 308 R C 1.487 177.975 176.300 0.314 0.000 1.067 308 R CA 0.709 56.928 56.100 0.198 0.000 1.010 308 R CB 0.204 30.607 30.300 0.172 0.000 0.922 308 R HN 0.220 nan 8.270 nan 0.000 0.457 309 W N 0.611 121.873 121.300 -0.064 0.000 2.630 309 W HA 0.105 4.766 4.660 0.002 0.000 0.275 309 W C 1.339 177.796 176.519 -0.103 0.000 1.192 309 W CA 0.264 57.563 57.345 -0.078 0.000 1.410 309 W CB 0.073 29.495 29.460 -0.063 0.000 1.075 309 W HN 0.036 nan 8.180 nan 0.000 0.581 310 R N -2.801 117.732 120.500 0.055 0.000 2.539 310 R HA 0.214 4.554 4.340 0.001 0.000 0.342 310 R C -0.664 175.463 176.300 -0.288 0.000 0.941 310 R CA 0.022 56.047 56.100 -0.125 0.000 1.146 310 R CB -1.017 29.181 30.300 -0.171 0.000 1.541 310 R HN -0.146 nan 8.270 nan 0.000 0.525 311 Y N 2.036 122.286 120.300 -0.082 0.000 2.446 311 Y HA 0.596 5.147 4.550 0.001 0.000 0.338 311 Y C -2.186 173.732 175.900 0.029 0.000 1.055 311 Y CA -3.110 54.944 58.100 -0.076 0.000 1.101 311 Y CB 1.300 39.626 38.460 -0.222 0.000 1.221 311 Y HN -0.099 nan 8.280 nan 0.000 0.460 312 P HA 0.195 nan 4.420 nan 0.000 0.274 312 P C -0.852 176.563 177.300 0.191 0.000 1.237 312 P CA -0.289 62.920 63.100 0.182 0.000 0.793 312 P CB 1.446 33.237 31.700 0.153 0.000 0.977 313 S N 0.962 116.766 115.700 0.173 0.000 2.595 313 S HA 0.744 5.215 4.470 0.001 0.000 0.281 313 S C -1.115 173.571 174.600 0.144 0.000 1.117 313 S CA -0.870 57.428 58.200 0.163 0.000 0.873 313 S CB 1.466 64.771 63.200 0.175 0.000 1.108 313 S HN 0.464 nan 8.310 nan 0.000 0.477 314 L N 1.248 122.538 121.223 0.113 0.000 2.438 314 L HA 0.742 5.083 4.340 0.001 0.000 0.270 314 L C -1.252 175.644 176.870 0.043 0.000 0.972 314 L CA -0.036 54.867 54.840 0.105 0.000 0.831 314 L CB 2.135 44.243 42.059 0.081 0.000 1.273 314 L HN 0.886 nan 8.230 nan 0.000 0.405 315 S N 5.000 120.696 115.700 -0.006 0.000 2.521 315 S HA 0.619 5.090 4.470 0.001 0.000 0.295 315 S C -0.736 173.641 174.600 -0.372 0.000 1.098 315 S CA -0.582 57.528 58.200 -0.150 0.000 0.999 315 S CB 1.713 64.847 63.200 -0.110 0.000 1.034 315 S HN 0.472 nan 8.310 nan 0.000 0.483 316 L N 4.075 125.139 121.223 -0.266 0.000 2.276 316 L HA 0.427 4.767 4.340 0.001 0.000 0.286 316 L C 0.894 177.628 176.870 -0.227 0.000 1.061 316 L CA -0.532 54.178 54.840 -0.216 0.000 0.807 316 L CB 0.409 42.412 42.059 -0.094 0.000 1.177 316 L HN 0.784 nan 8.230 nan 0.000 0.429 317 H N 2.261 121.369 119.070 0.062 0.000 2.516 317 H HA 0.361 4.918 4.556 0.001 0.000 0.284 317 H C 0.932 176.310 175.328 0.083 0.000 0.999 317 H CA 0.678 56.773 56.048 0.080 0.000 1.303 317 H CB 1.421 31.247 29.762 0.107 0.000 1.452 317 H HN 0.788 nan 8.280 nan 0.000 0.530 318 G N 0.051 108.958 108.800 0.178 0.000 2.343 318 G HA2 0.303 4.263 3.960 0.001 0.000 0.289 318 G HA3 0.303 4.263 3.960 0.001 0.000 0.289 318 G C -1.746 173.227 174.900 0.121 0.000 1.295 318 G CA -0.808 44.371 45.100 0.132 0.000 0.869 318 G HN 0.045 nan 8.290 nan 0.000 0.522 319 I N 0.548 121.180 120.570 0.104 0.000 2.498 319 I HA 0.436 4.607 4.170 0.001 0.000 0.290 319 I C -0.160 176.022 176.117 0.108 0.000 1.032 319 I CA -0.629 60.735 61.300 0.106 0.000 1.073 319 I CB 2.320 40.373 38.000 0.089 0.000 1.251 319 I HN 0.624 nan 8.210 nan 0.000 0.426 320 E N 3.922 124.198 120.200 0.126 0.000 2.231 320 E HA 0.504 4.855 4.350 0.001 0.000 0.277 320 E C 0.750 177.414 176.600 0.107 0.000 0.999 320 E CA 0.278 56.750 56.400 0.121 0.000 0.827 320 E CB 1.312 31.102 29.700 0.150 0.000 1.101 320 E HN 0.866 nan 8.360 nan 0.000 0.393 321 G N 2.301 111.158 108.800 0.095 0.000 2.213 321 G HA2 -0.242 3.719 3.960 0.001 0.000 0.226 321 G HA3 -0.242 3.719 3.960 0.001 0.000 0.226 321 G C 0.245 175.201 174.900 0.094 0.000 0.992 321 G CA 0.110 45.263 45.100 0.089 0.000 0.632 321 G HN 0.818 nan 8.290 nan 0.000 0.511 322 A N -0.354 122.527 122.820 0.103 0.000 2.580 322 A HA 0.830 5.151 4.320 0.001 0.000 0.275 322 A C -0.272 177.417 177.584 0.176 0.000 1.321 322 A CA -0.236 51.877 52.037 0.127 0.000 0.924 322 A CB 0.529 19.596 19.000 0.111 0.000 1.512 322 A HN 1.306 nan 8.150 nan 0.000 0.492 323 F N 1.345 121.315 119.950 0.033 0.000 2.390 323 F HA 0.442 4.969 4.527 0.001 0.000 0.361 323 F C 0.954 176.774 175.800 0.034 0.000 1.124 323 F CA -0.392 57.625 58.000 0.028 0.000 1.149 323 F CB 1.102 40.113 39.000 0.018 0.000 1.160 323 F HN 0.295 nan 8.300 nan 0.000 0.501 324 S N 2.845 118.301 115.700 -0.407 0.000 2.629 324 S HA 0.409 4.880 4.470 0.001 0.000 0.236 324 S C 0.770 175.060 174.600 -0.517 0.000 1.010 324 S CA -0.053 57.911 58.200 -0.394 0.000 0.981 324 S CB -0.280 62.842 63.200 -0.130 0.000 0.919 324 S HN 0.741 nan 8.310 nan 0.000 0.514 325 G N 1.300 109.592 108.800 -0.847 0.000 2.557 325 G HA2 0.481 4.442 3.960 0.001 0.000 0.292 325 G HA3 0.481 4.442 3.960 0.001 0.000 0.292 325 G C -0.352 174.310 174.900 -0.396 0.000 1.237 325 G CA -0.490 44.367 45.100 -0.406 0.000 0.978 325 G HN 0.327 nan 8.290 nan 0.000 0.498 326 S N -1.128 114.530 115.700 -0.070 0.000 2.585 326 S HA 0.547 5.018 4.470 0.001 0.000 0.273 326 S C 0.969 175.683 174.600 0.190 0.000 1.339 326 S CA 1.109 59.322 58.200 0.022 0.000 1.028 326 S CB -0.025 63.199 63.200 0.041 0.000 0.906 326 S HN 2.331 nan 8.310 nan 0.000 0.528 327 G N 2.094 111.006 108.800 0.187 0.000 2.499 327 G HA2 0.292 4.252 3.960 0.001 0.000 0.232 327 G HA3 0.292 4.252 3.960 0.001 0.000 0.232 327 G C -0.298 174.826 174.900 0.373 0.000 1.251 327 G CA -0.162 45.080 45.100 0.237 0.000 0.917 327 G HN 1.801 nan 8.290 nan 0.000 0.580 328 A N -0.188 122.751 122.820 0.199 0.000 2.374 328 A HA 0.859 5.180 4.320 0.001 0.000 0.305 328 A C -0.332 177.029 177.584 -0.372 0.000 1.053 328 A CA 0.502 52.551 52.037 0.020 0.000 0.726 328 A CB 1.871 20.871 19.000 0.001 0.000 1.229 328 A HN 1.169 nan 8.150 nan 0.000 0.431 329 K N 1.333 121.302 120.400 -0.718 0.000 2.482 329 K HA 0.512 4.833 4.320 0.001 0.000 0.251 329 K C -0.675 175.667 176.600 -0.431 0.000 0.936 329 K CA -0.273 55.546 56.287 -0.780 0.000 0.791 329 K CB 1.542 33.145 32.500 -1.495 0.000 1.213 329 K HN 0.688 nan 8.250 nan 0.000 0.428 330 T N 0.520 114.883 114.554 -0.319 0.000 3.465 330 T HA 0.260 4.611 4.350 0.001 0.000 0.323 330 T C -0.389 174.150 174.700 -0.267 0.000 1.774 330 T CA -0.609 61.335 62.100 -0.261 0.000 1.348 330 T CB 0.057 68.752 68.868 -0.287 0.000 1.147 330 T HN 0.196 nan 8.240 nan 0.000 0.778 331 V N 2.538 122.348 119.914 -0.172 0.000 2.656 331 V HA 0.620 4.741 4.120 0.001 0.000 0.307 331 V C -0.961 175.118 176.094 -0.025 0.000 1.051 331 V CA -1.496 60.745 62.300 -0.099 0.000 0.893 331 V CB 1.751 33.523 31.823 -0.085 0.000 0.999 331 V HN 0.733 nan 8.190 nan 0.000 0.426 332 I N 8.588 129.161 120.570 0.005 0.000 2.297 332 I HA 0.383 4.554 4.170 0.001 0.000 0.291 332 I C -2.243 173.889 176.117 0.024 0.000 1.033 332 I CA -1.903 59.414 61.300 0.029 0.000 1.253 332 I CB 1.724 39.748 38.000 0.041 0.000 1.396 332 I HN 0.507 nan 8.210 nan 0.000 0.476 333 P HA 0.077 nan 4.420 nan 0.000 0.268 333 P C 0.281 177.604 177.300 0.038 0.000 1.205 333 P CA -0.330 62.799 63.100 0.049 0.000 0.771 333 P CB 0.560 32.304 31.700 0.074 0.000 0.858 334 R N 2.891 123.407 120.500 0.028 0.000 2.119 334 R HA 0.063 4.403 4.340 0.001 0.000 0.222 334 R C 0.359 176.683 176.300 0.040 0.000 1.088 334 R CA 0.981 57.093 56.100 0.020 0.000 0.984 334 R CB 0.038 30.341 30.300 0.004 0.000 0.884 334 R HN 0.318 nan 8.270 nan 0.000 0.447 335 K N 1.129 121.559 120.400 0.051 0.000 2.588 335 K HA 0.264 4.584 4.320 0.001 0.000 0.250 335 K C -1.606 175.038 176.600 0.074 0.000 0.972 335 K CA -0.760 55.563 56.287 0.059 0.000 0.821 335 K CB 2.369 34.898 32.500 0.048 0.000 1.249 335 K HN 0.082 nan 8.250 nan 0.000 0.442 336 V N 0.222 120.187 119.914 0.085 0.000 2.823 336 V HA 0.747 4.868 4.120 0.001 0.000 0.312 336 V C -0.983 175.176 176.094 0.109 0.000 1.072 336 V CA -0.851 61.507 62.300 0.097 0.000 0.937 336 V CB 1.882 33.764 31.823 0.098 0.000 1.013 336 V HN 0.379 nan 8.190 nan 0.000 0.430 337 V N 3.011 123.001 119.914 0.128 0.000 2.380 337 V HA 0.740 4.861 4.120 0.001 0.000 0.286 337 V C 0.898 177.085 176.094 0.154 0.000 1.015 337 V CA 0.175 62.569 62.300 0.155 0.000 0.834 337 V CB 1.193 33.143 31.823 0.212 0.000 1.009 337 V HN 1.281 nan 8.190 nan 0.000 0.428 338 G N 4.069 112.953 108.800 0.140 0.000 2.476 338 G HA2 0.555 4.516 3.960 0.001 0.000 0.269 338 G HA3 0.555 4.516 3.960 0.001 0.000 0.269 338 G C -0.514 174.462 174.900 0.127 0.000 1.195 338 G CA -0.456 44.727 45.100 0.137 0.000 0.843 338 G HN 0.476 nan 8.290 nan 0.000 0.545 339 K N 0.934 121.401 120.400 0.113 0.000 2.426 339 K HA 0.492 4.813 4.320 0.001 0.000 0.254 339 K C -1.089 175.527 176.600 0.027 0.000 0.936 339 K CA -0.496 55.790 56.287 -0.002 0.000 0.801 339 K CB 2.073 34.650 32.500 0.129 0.000 1.139 339 K HN 0.601 nan 8.250 nan 0.000 0.424 340 F N -1.285 118.441 119.950 -0.372 0.000 2.686 340 F HA 0.684 5.212 4.527 0.001 0.000 0.311 340 F C -0.928 174.585 175.800 -0.477 0.000 1.128 340 F CA -0.899 56.857 58.000 -0.406 0.000 0.946 340 F CB 1.572 40.429 39.000 -0.239 0.000 1.336 340 F HN 0.419 nan 8.300 nan 0.000 0.457 341 S N 1.022 116.569 115.700 -0.255 0.000 2.588 341 S HA 0.850 5.321 4.470 0.001 0.000 0.275 341 S C -1.490 173.209 174.600 0.164 0.000 1.130 341 S CA -0.827 57.285 58.200 -0.148 0.000 0.855 341 S CB 1.923 65.083 63.200 -0.067 0.000 1.116 341 S HN 0.804 nan 8.310 nan 0.000 0.472 342 I N 1.486 122.180 120.570 0.208 0.000 2.436 342 I HA 0.459 4.630 4.170 0.001 0.000 0.289 342 I C -0.176 176.054 176.117 0.189 0.000 1.010 342 I CA -0.883 60.560 61.300 0.239 0.000 1.098 342 I CB 1.730 39.920 38.000 0.318 0.000 1.266 342 I HN 0.432 nan 8.210 nan 0.000 0.434 343 R N 5.496 126.101 120.500 0.175 0.000 2.267 343 R HA 0.415 4.756 4.340 0.001 0.000 0.319 343 R C -0.857 175.532 176.300 0.148 0.000 1.067 343 R CA -0.904 55.291 56.100 0.158 0.000 0.936 343 R CB 0.713 31.108 30.300 0.159 0.000 1.006 343 R HN 0.358 nan 8.270 nan 0.000 0.452 344 L N 3.555 124.858 121.223 0.133 0.000 2.326 344 L HA 0.292 4.632 4.340 0.001 0.000 0.278 344 L C 0.395 177.325 176.870 0.100 0.000 1.092 344 L CA -0.236 54.675 54.840 0.118 0.000 0.810 344 L CB 1.372 43.498 42.059 0.112 0.000 1.153 344 L HN 0.374 nan 8.230 nan 0.000 0.439 345 V N 1.246 121.213 119.914 0.088 0.000 3.046 345 V HA 0.734 4.854 4.120 0.001 0.000 0.316 345 V C -2.561 173.558 176.094 0.043 0.000 1.104 345 V CA -2.878 59.457 62.300 0.058 0.000 1.006 345 V CB 1.488 33.337 31.823 0.044 0.000 1.058 345 V HN 0.559 nan 8.190 nan 0.000 0.440 346 P HA 0.100 nan 4.420 nan 0.000 0.263 346 P C -0.386 176.926 177.300 0.020 0.000 1.162 346 P CA 1.525 64.631 63.100 0.011 0.000 0.758 346 P CB 0.085 31.775 31.700 -0.016 0.000 0.773 347 D N -0.737 119.679 120.400 0.026 0.000 2.034 347 D HA -0.157 4.483 4.640 0.001 0.000 0.191 347 D C 0.300 176.627 176.300 0.044 0.000 1.386 347 D CA 1.030 55.049 54.000 0.031 0.000 1.458 347 D CB -1.819 38.995 40.800 0.023 0.000 1.379 347 D HN 0.375 nan 8.370 nan 0.000 0.579 348 M N 1.377 121.010 119.600 0.054 0.000 2.251 348 M HA 0.142 4.623 4.480 0.001 0.000 0.343 348 M C 0.474 176.817 176.300 0.071 0.000 1.245 348 M CA 1.045 56.386 55.300 0.069 0.000 1.061 348 M CB 0.528 33.178 32.600 0.084 0.000 1.723 348 M HN 0.028 nan 8.290 nan 0.000 0.449 349 I N 4.689 125.304 120.570 0.075 0.000 2.433 349 I HA 0.244 4.415 4.170 0.001 0.000 0.292 349 I C -1.859 174.312 176.117 0.090 0.000 1.001 349 I CA -2.107 59.237 61.300 0.074 0.000 1.119 349 I CB 1.877 39.915 38.000 0.063 0.000 1.289 349 I HN 0.429 nan 8.210 nan 0.000 0.438 350 P HA -0.154 nan 4.420 nan 0.000 0.215 350 P C 1.095 178.462 177.300 0.111 0.000 1.157 350 P CA 1.281 64.439 63.100 0.097 0.000 0.868 350 P CB 0.263 32.004 31.700 0.068 0.000 0.788 351 E N -0.635 119.618 120.200 0.089 0.000 2.265 351 E HA -0.080 4.271 4.350 0.001 0.000 0.196 351 E C 1.999 178.662 176.600 0.105 0.000 0.996 351 E CA 0.824 57.279 56.400 0.091 0.000 0.832 351 E CB -0.625 29.114 29.700 0.065 0.000 0.756 351 E HN 0.145 nan 8.360 nan 0.000 0.491 352 V N 0.592 120.566 119.914 0.100 0.000 2.346 352 V HA -0.151 3.970 4.120 0.001 0.000 0.244 352 V C 2.485 178.654 176.094 0.126 0.000 1.037 352 V CA 0.846 63.205 62.300 0.099 0.000 1.029 352 V CB -0.264 31.606 31.823 0.078 0.000 0.663 352 V HN 0.047 nan 8.190 nan 0.000 0.454 353 V N -0.271 119.734 119.914 0.152 0.000 2.392 353 V HA -0.273 3.848 4.120 0.001 0.000 0.249 353 V C 2.686 178.943 176.094 0.271 0.000 1.059 353 V CA 2.400 64.819 62.300 0.198 0.000 1.051 353 V CB -0.614 31.350 31.823 0.235 0.000 0.658 353 V HN 0.601 nan 8.190 nan 0.000 0.455 354 S N -0.489 115.401 115.700 0.316 0.000 2.370 354 S HA -0.248 4.223 4.470 0.001 0.000 0.226 354 S C 1.937 176.689 174.600 0.253 0.000 1.033 354 S CA 2.057 60.495 58.200 0.397 0.000 1.011 354 S CB -0.204 63.171 63.200 0.291 0.000 0.852 354 S HN 0.767 nan 8.310 nan 0.000 0.457 355 E N 0.481 120.788 120.200 0.177 0.000 2.072 355 E HA -0.164 4.187 4.350 0.001 0.000 0.191 355 E C 2.454 179.128 176.600 0.124 0.000 0.985 355 E CA 1.237 57.719 56.400 0.136 0.000 0.801 355 E CB -0.189 29.575 29.700 0.107 0.000 0.750 355 E HN 0.636 nan 8.360 nan 0.000 0.452 356 Q N 0.421 120.289 119.800 0.113 0.000 2.079 356 Q HA -0.124 4.217 4.340 0.001 0.000 0.200 356 Q C 2.424 178.480 176.000 0.094 0.000 0.974 356 Q CA 1.282 57.139 55.803 0.089 0.000 0.840 356 Q CB -0.015 28.762 28.738 0.065 0.000 0.898 356 Q HN 0.147 nan 8.270 nan 0.000 0.430 357 V N 0.369 120.317 119.914 0.055 0.000 2.270 357 V HA -0.259 3.862 4.120 0.001 0.000 0.245 357 V C 2.248 178.396 176.094 0.089 0.000 1.043 357 V CA 1.835 64.130 62.300 -0.008 0.000 1.014 357 V CB -0.679 30.878 31.823 -0.443 0.000 0.645 357 V HN 0.289 nan 8.190 nan 0.000 0.447 358 S N 0.355 116.120 115.700 0.109 0.000 2.381 358 S HA -0.266 4.204 4.470 0.001 0.000 0.230 358 S C 2.207 176.917 174.600 0.183 0.000 1.052 358 S CA 2.173 60.473 58.200 0.168 0.000 1.068 358 S CB -0.368 62.932 63.200 0.168 0.000 0.918 358 S HN 0.674 nan 8.310 nan 0.000 0.448 359 S N -0.170 115.627 115.700 0.161 0.000 2.368 359 S HA -0.065 4.406 4.470 0.001 0.000 0.224 359 S C 1.631 176.336 174.600 0.174 0.000 1.029 359 S CA 1.088 59.379 58.200 0.151 0.000 0.988 359 S CB -0.455 62.821 63.200 0.128 0.000 0.838 359 S HN 0.650 nan 8.310 nan 0.000 0.462 360 Y N 2.372 122.697 120.300 0.043 0.000 2.163 360 Y HA 0.049 4.599 4.550 0.001 0.000 0.288 360 Y C 1.812 177.725 175.900 0.022 0.000 1.136 360 Y CA 0.984 59.094 58.100 0.017 0.000 1.147 360 Y CB -0.563 37.893 38.460 -0.008 0.000 0.987 360 Y HN 0.126 nan 8.280 nan 0.000 0.509 361 L N -1.171 120.039 121.223 -0.022 0.000 2.109 361 L HA -0.181 4.160 4.340 0.001 0.000 0.207 361 L C 2.539 179.365 176.870 -0.075 0.000 1.086 361 L CA 1.312 56.105 54.840 -0.080 0.000 0.760 361 L CB -0.739 41.434 42.059 0.189 0.000 0.910 361 L HN 0.105 nan 8.230 nan 0.000 0.437 362 S N -0.269 115.490 115.700 0.098 0.000 2.370 362 S HA -0.230 4.241 4.470 0.001 0.000 0.226 362 S C 2.023 176.595 174.600 -0.047 0.000 1.033 362 S CA 1.447 59.687 58.200 0.066 0.000 1.011 362 S CB -0.129 63.189 63.200 0.197 0.000 0.852 362 S HN 0.302 nan 8.310 nan 0.000 0.457 363 K N 0.767 121.140 120.400 -0.044 0.000 2.062 363 K HA -0.048 4.273 4.320 0.001 0.000 0.205 363 K C 1.971 178.480 176.600 -0.153 0.000 1.051 363 K CA 0.859 57.107 56.287 -0.066 0.000 0.941 363 K CB -0.005 32.489 32.500 -0.010 0.000 0.719 363 K HN 0.045 nan 8.250 nan 0.000 0.440 364 K N 0.306 120.552 120.400 -0.256 0.000 2.057 364 K HA -0.148 4.173 4.320 0.001 0.000 0.207 364 K C 1.968 178.418 176.600 -0.250 0.000 1.049 364 K CA 1.055 57.160 56.287 -0.304 0.000 0.931 364 K CB -0.468 31.745 32.500 -0.478 0.000 0.714 364 K HN 0.160 nan 8.250 nan 0.000 0.440 365 F N 1.727 121.395 119.950 -0.470 0.000 2.113 365 F HA -0.143 4.385 4.527 0.001 0.000 0.297 365 F C 2.145 177.747 175.800 -0.330 0.000 1.103 365 F CA 1.307 58.989 58.000 -0.530 0.000 1.248 365 F CB -0.552 37.788 39.000 -1.100 0.000 0.999 365 F HN 0.016 nan 8.300 nan 0.000 0.475 366 A N 0.232 122.857 122.820 -0.324 0.000 1.958 366 A HA -0.276 4.045 4.320 0.001 0.000 0.221 366 A C 2.100 179.508 177.584 -0.294 0.000 1.178 366 A CA 2.121 53.986 52.037 -0.285 0.000 0.642 366 A CB -1.019 17.908 19.000 -0.122 0.000 0.816 366 A HN 0.605 nan 8.150 nan 0.000 0.453 367 E N -0.500 119.551 120.200 -0.249 0.000 2.338 367 E HA -0.086 4.265 4.350 0.001 0.000 0.197 367 E C 1.624 178.089 176.600 -0.225 0.000 1.007 367 E CA 0.668 56.951 56.400 -0.196 0.000 0.849 367 E CB -0.226 29.383 29.700 -0.153 0.000 0.774 367 E HN 0.681 nan 8.360 nan 0.000 0.506 368 L N 0.142 121.161 121.223 -0.340 0.000 2.313 368 L HA -0.063 4.278 4.340 0.001 0.000 0.214 368 L C 0.214 176.902 176.870 -0.302 0.000 1.119 368 L CA 0.247 54.901 54.840 -0.310 0.000 0.809 368 L CB -0.206 41.622 42.059 -0.384 0.000 0.933 368 L HN 0.051 nan 8.230 nan 0.000 0.449 369 Q N 0.370 119.949 119.800 -0.369 0.000 2.453 369 Q HA -0.195 4.146 4.340 0.001 0.000 0.330 369 Q C 0.069 175.840 176.000 -0.381 0.000 1.417 369 Q CA 0.590 56.209 55.803 -0.307 0.000 0.902 369 Q CB -1.561 27.074 28.738 -0.172 0.000 1.154 369 Q HN 0.354 nan 8.270 nan 0.000 0.395 370 S N 0.337 115.713 115.700 -0.541 0.000 2.501 370 S HA 0.648 5.118 4.470 0.001 0.000 0.301 370 S C -1.548 172.843 174.600 -0.347 0.000 1.096 370 S CA -1.498 56.378 58.200 -0.540 0.000 1.063 370 S CB 1.206 64.161 63.200 -0.408 0.000 1.042 370 S HN 0.199 nan 8.310 nan 0.000 0.494 371 P HA 0.093 nan 4.420 nan 0.000 0.245 371 P C -0.370 176.987 177.300 0.095 0.000 1.212 371 P CA 0.035 63.090 63.100 -0.074 0.000 0.774 371 P CB -0.124 31.534 31.700 -0.069 0.000 0.999 372 N N 1.349 120.175 118.700 0.210 0.000 2.503 372 N HA 0.100 4.841 4.740 0.001 0.000 0.267 372 N C 0.311 175.996 175.510 0.292 0.000 1.214 372 N CA 0.030 53.244 53.050 0.272 0.000 0.959 372 N CB 0.637 39.303 38.487 0.298 0.000 1.142 372 N HN 0.046 nan 8.380 nan 0.000 0.455 373 K N 1.011 121.496 120.400 0.143 0.000 2.322 373 K HA 0.207 4.528 4.320 0.001 0.000 0.283 373 K C -0.628 175.960 176.600 -0.020 0.000 1.042 373 K CA 0.076 56.406 56.287 0.072 0.000 0.958 373 K CB 0.504 33.030 32.500 0.043 0.000 0.984 373 K HN 0.449 nan 8.250 nan 0.000 0.473 374 F N 3.495 123.248 119.950 -0.329 0.000 2.578 374 F HA 0.453 4.981 4.527 0.001 0.000 0.311 374 F C -1.403 174.246 175.800 -0.251 0.000 1.094 374 F CA -0.704 56.983 58.000 -0.521 0.000 0.923 374 F CB 1.438 39.563 39.000 -1.458 0.000 1.230 374 F HN 0.451 nan 8.300 nan 0.000 0.450 375 K N 4.658 124.361 120.400 -1.162 0.000 2.568 375 K HA 0.715 5.036 4.320 0.001 0.000 0.273 375 K C -2.513 173.551 176.600 -0.894 0.000 0.951 375 K CA -1.017 54.674 56.287 -0.992 0.000 0.854 375 K CB 2.137 34.467 32.500 -0.284 0.000 1.424 375 K HN 0.666 nan 8.250 nan 0.000 0.427 376 V N 2.543 122.156 119.914 -0.500 0.000 2.735 376 V HA 0.759 4.880 4.120 0.001 0.000 0.310 376 V C -1.952 174.234 176.094 0.153 0.000 1.061 376 V CA -0.359 61.856 62.300 -0.143 0.000 0.913 376 V CB 1.344 33.155 31.823 -0.020 0.000 1.005 376 V HN 0.847 nan 8.190 nan 0.000 0.428 377 Y N 3.207 123.609 120.300 0.171 0.000 2.638 377 Y HA 0.737 5.288 4.550 0.001 0.000 0.335 377 Y C -0.776 175.319 175.900 0.324 0.000 1.155 377 Y CA -1.361 56.851 58.100 0.185 0.000 1.046 377 Y CB 1.841 40.324 38.460 0.038 0.000 1.303 377 Y HN 0.702 nan 8.280 nan 0.000 0.460 378 M N 1.736 121.531 119.600 0.325 0.000 2.436 378 M HA 0.682 5.163 4.480 0.001 0.000 0.331 378 M C -0.017 176.386 176.300 0.171 0.000 1.135 378 M CA -0.220 55.114 55.300 0.057 0.000 0.987 378 M CB 2.032 34.554 32.600 -0.130 0.000 1.687 378 M HN 1.113 nan 8.290 nan 0.000 0.445 379 G N 1.262 110.173 108.800 0.184 0.000 2.606 379 G HA2 0.200 4.161 3.960 0.001 0.000 0.213 379 G HA3 0.200 4.161 3.960 0.001 0.000 0.213 379 G C -0.473 174.448 174.900 0.034 0.000 2.020 379 G CA -0.279 44.899 45.100 0.129 0.000 0.814 379 G HN 0.801 nan 8.290 nan 0.000 0.685 380 H N 0.186 119.288 119.070 0.053 0.000 3.001 380 H HA 0.404 4.960 4.556 0.001 0.000 0.334 380 H C 0.360 175.662 175.328 -0.043 0.000 1.034 380 H CA 0.281 56.330 56.048 0.001 0.000 1.420 380 H CB 0.806 30.576 29.762 0.014 0.000 1.405 380 H HN 0.499 nan 8.280 nan 0.000 0.593 381 G N 2.191 111.055 108.800 0.107 0.000 3.191 381 G HA2 0.438 4.399 3.960 0.001 0.000 0.309 381 G HA3 0.438 4.399 3.960 0.001 0.000 0.309 381 G C -0.335 174.595 174.900 0.049 0.000 1.596 381 G CA -0.364 44.762 45.100 0.043 0.000 0.955 381 G HN 0.821 nan 8.290 nan 0.000 0.508 382 G N 0.916 109.747 108.800 0.052 0.000 2.388 382 G HA2 0.607 4.568 3.960 0.001 0.000 0.330 382 G HA3 0.607 4.568 3.960 0.001 0.000 0.330 382 G C -0.160 174.776 174.900 0.060 0.000 1.142 382 G CA -0.768 44.357 45.100 0.041 0.000 0.908 382 G HN 0.482 nan 8.290 nan 0.000 0.473 383 K N 1.825 122.262 120.400 0.063 0.000 2.154 383 K HA 0.347 4.668 4.320 0.001 0.000 0.264 383 K C -2.218 174.446 176.600 0.107 0.000 1.008 383 K CA -1.213 55.123 56.287 0.082 0.000 0.937 383 K CB 1.021 33.570 32.500 0.082 0.000 1.002 383 K HN 0.277 nan 8.250 nan 0.000 0.469 384 P HA 0.090 nan 4.420 nan 0.000 0.274 384 P C -1.425 175.994 177.300 0.197 0.000 1.246 384 P CA -0.424 62.755 63.100 0.131 0.000 0.795 384 P CB 0.393 32.142 31.700 0.082 0.000 1.006 385 W N 1.590 122.888 121.300 -0.004 0.000 2.998 385 W HA 0.579 5.240 4.660 0.002 0.000 0.335 385 W C -2.307 174.209 176.519 -0.005 0.000 1.110 385 W CA -0.598 56.748 57.345 0.001 0.000 1.230 385 W CB 1.424 30.886 29.460 0.002 0.000 1.405 385 W HN 0.118 nan 8.180 nan 0.000 0.493 386 V N 4.896 124.321 119.914 -0.816 0.000 2.686 386 V HA 0.534 4.654 4.120 0.001 0.000 0.306 386 V C -0.455 175.148 176.094 -0.818 0.000 1.065 386 V CA -0.829 60.957 62.300 -0.856 0.000 0.894 386 V CB 1.294 32.918 31.823 -0.331 0.000 1.004 386 V HN 0.581 nan 8.190 nan 0.000 0.424 387 S N 1.637 116.894 115.700 -0.737 0.000 2.638 387 S HA 0.463 4.933 4.470 0.001 0.000 0.298 387 S C -0.767 173.703 174.600 -0.217 0.000 1.111 387 S CA -0.510 57.554 58.200 -0.226 0.000 1.027 387 S CB 1.542 64.827 63.200 0.143 0.000 1.064 387 S HN 0.915 nan 8.310 nan 0.000 0.525 388 D N 2.699 122.969 120.400 -0.216 0.000 2.344 388 D HA 0.138 4.779 4.640 0.001 0.000 0.253 388 D C 0.847 176.786 176.300 -0.601 0.000 1.255 388 D CA -0.586 53.175 54.000 -0.398 0.000 0.894 388 D CB -0.102 40.570 40.800 -0.214 0.000 1.067 388 D HN 0.477 nan 8.370 nan 0.000 0.492 389 F N 2.040 121.541 119.950 -0.748 0.000 2.802 389 F HA 0.219 4.747 4.527 0.001 0.000 0.300 389 F C 0.877 176.341 175.800 -0.559 0.000 1.168 389 F CA -0.258 57.053 58.000 -1.148 0.000 1.433 389 F CB -0.961 37.388 39.000 -1.085 0.000 1.115 389 F HN 0.213 nan 8.300 nan 0.000 0.582 390 N N -0.895 117.571 118.700 -0.390 0.000 2.398 390 N HA -0.098 4.642 4.740 0.001 0.000 0.188 390 N C 0.437 175.943 175.510 -0.005 0.000 1.122 390 N CA -0.102 52.871 53.050 -0.129 0.000 0.866 390 N CB -0.219 38.139 38.487 -0.215 0.000 0.970 390 N HN 0.285 nan 8.380 nan 0.000 0.462 391 H N 1.480 120.523 119.070 -0.045 0.000 2.790 391 H HA 0.042 4.599 4.556 0.001 0.000 0.358 391 H C -1.517 173.931 175.328 0.200 0.000 1.103 391 H CA -1.183 54.929 56.048 0.107 0.000 1.426 391 H CB 1.312 31.195 29.762 0.201 0.000 1.424 391 H HN 0.001 nan 8.280 nan 0.000 0.599 392 P HA -0.177 nan 4.420 nan 0.000 0.218 392 P C 1.432 178.934 177.300 0.336 0.000 1.146 392 P CA 1.362 64.543 63.100 0.134 0.000 0.813 392 P CB -0.174 31.530 31.700 0.006 0.000 0.778 393 H N -1.617 117.770 119.070 0.528 0.000 2.353 393 H HA -0.202 4.354 4.556 0.001 0.000 0.298 393 H C 1.601 177.042 175.328 0.189 0.000 1.103 393 H CA 1.275 57.467 56.048 0.240 0.000 1.293 393 H CB -0.235 29.712 29.762 0.308 0.000 1.372 393 H HN 0.096 nan 8.280 nan 0.000 0.501 394 Y N 0.808 121.200 120.300 0.152 0.000 2.352 394 Y HA -0.177 4.374 4.550 0.002 0.000 0.292 394 Y C 2.718 178.637 175.900 0.032 0.000 1.136 394 Y CA 0.819 58.941 58.100 0.036 0.000 1.227 394 Y CB -0.063 38.459 38.460 0.102 0.000 0.991 394 Y HN 0.292 nan 8.280 nan 0.000 0.545 395 Q N -0.311 119.606 119.800 0.195 0.000 2.124 395 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 395 Q C 2.579 178.616 176.000 0.062 0.000 0.977 395 Q CA 1.260 57.126 55.803 0.105 0.000 0.850 395 Q CB -0.784 28.004 28.738 0.083 0.000 0.901 395 Q HN 0.512 nan 8.270 nan 0.000 0.429 396 A N 0.868 123.716 122.820 0.047 0.000 1.883 396 A HA -0.103 4.218 4.320 0.001 0.000 0.217 396 A C 2.376 180.021 177.584 0.102 0.000 1.186 396 A CA 1.915 53.971 52.037 0.032 0.000 0.624 396 A CB -1.156 17.830 19.000 -0.024 0.000 0.822 396 A HN 0.447 nan 8.150 nan 0.000 0.444 397 G N -0.747 108.079 108.800 0.045 0.000 2.418 397 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 397 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 397 G C 1.726 176.640 174.900 0.024 0.000 1.158 397 G CA 1.096 46.198 45.100 0.004 0.000 0.771 397 G HN 0.590 nan 8.290 nan 0.000 0.545 398 R N 0.311 120.825 120.500 0.024 0.000 2.083 398 R HA -0.023 4.318 4.340 0.001 0.000 0.237 398 R C 2.727 179.061 176.300 0.056 0.000 1.137 398 R CA 1.313 57.433 56.100 0.033 0.000 0.951 398 R CB -0.250 30.073 30.300 0.038 0.000 0.851 398 R HN 0.273 nan 8.270 nan 0.000 0.434 399 R N -0.182 120.359 120.500 0.067 0.000 2.081 399 R HA -0.080 4.261 4.340 0.001 0.000 0.235 399 R C 2.363 178.731 176.300 0.114 0.000 1.131 399 R CA 1.311 57.460 56.100 0.081 0.000 0.960 399 R CB -0.361 29.982 30.300 0.072 0.000 0.856 399 R HN 0.294 nan 8.270 nan 0.000 0.436 400 A N 1.214 124.116 122.820 0.138 0.000 1.902 400 A HA -0.128 4.193 4.320 0.001 0.000 0.217 400 A C 2.170 179.850 177.584 0.159 0.000 1.181 400 A CA 1.196 53.340 52.037 0.179 0.000 0.623 400 A CB -0.458 18.678 19.000 0.227 0.000 0.818 400 A HN 0.170 nan 8.150 nan 0.000 0.443 401 L N -1.137 120.175 121.223 0.150 0.000 2.109 401 L HA -0.106 4.235 4.340 0.001 0.000 0.207 401 L C 2.530 179.525 176.870 0.209 0.000 1.086 401 L CA 1.567 56.541 54.840 0.223 0.000 0.760 401 L CB -0.278 41.874 42.059 0.154 0.000 0.910 401 L HN 0.339 nan 8.230 nan 0.000 0.437 402 K N -0.058 120.417 120.400 0.126 0.000 2.057 402 K HA -0.151 4.169 4.320 0.001 0.000 0.207 402 K C 1.979 178.639 176.600 0.100 0.000 1.049 402 K CA 1.857 58.206 56.287 0.103 0.000 0.931 402 K CB -0.352 32.189 32.500 0.069 0.000 0.714 402 K HN 0.083 nan 8.250 nan 0.000 0.440 403 T N -0.221 114.395 114.554 0.104 0.000 2.746 403 T HA -0.089 4.261 4.350 0.001 0.000 0.267 403 T C 1.707 176.458 174.700 0.086 0.000 1.039 403 T CA 1.568 63.734 62.100 0.110 0.000 1.142 403 T CB -0.127 68.831 68.868 0.150 0.000 0.866 403 T HN -0.003 nan 8.240 nan 0.000 0.444 404 V N -0.070 119.838 119.914 -0.009 0.000 2.446 404 V HA 0.065 4.186 4.120 0.001 0.000 0.244 404 V C 1.691 177.525 176.094 -0.435 0.000 1.039 404 V CA 1.332 63.443 62.300 -0.314 0.000 1.045 404 V CB -0.429 31.015 31.823 -0.631 0.000 0.681 404 V HN 0.406 nan 8.190 nan 0.000 0.459 405 F N 0.231 120.219 119.950 0.064 0.000 2.721 405 F HA 0.471 4.999 4.527 0.001 0.000 0.301 405 F C 1.949 177.781 175.800 0.052 0.000 1.096 405 F CA 0.554 58.597 58.000 0.072 0.000 1.308 405 F CB -0.111 38.937 39.000 0.080 0.000 1.086 405 F HN 0.241 nan 8.300 nan 0.000 0.587 406 G N 0.889 109.785 108.800 0.160 0.000 2.189 406 G HA2 -0.245 3.715 3.960 0.001 0.000 0.267 406 G HA3 -0.245 3.715 3.960 0.001 0.000 0.267 406 G C 0.136 175.092 174.900 0.094 0.000 0.975 406 G CA 0.432 45.596 45.100 0.108 0.000 0.644 406 G HN 0.586 nan 8.290 nan 0.000 0.537 407 V N -3.593 116.383 119.914 0.104 0.000 2.914 407 V HA 0.835 4.956 4.120 0.001 0.000 0.314 407 V C -0.018 176.089 176.094 0.021 0.000 1.084 407 V CA -1.721 60.609 62.300 0.051 0.000 0.963 407 V CB 2.068 33.911 31.823 0.034 0.000 1.025 407 V HN 0.146 nan 8.190 nan 0.000 0.432 408 E N 3.944 124.143 120.200 -0.003 0.000 2.376 408 E HA 0.283 4.634 4.350 0.001 0.000 0.266 408 E C -2.405 174.153 176.600 -0.071 0.000 1.009 408 E CA -1.292 55.094 56.400 -0.024 0.000 0.902 408 E CB 0.909 30.594 29.700 -0.026 0.000 0.972 408 E HN 0.668 nan 8.360 nan 0.000 0.439 409 P HA 0.122 nan 4.420 nan 0.000 0.274 409 P C -0.419 176.797 177.300 -0.139 0.000 1.231 409 P CA -0.392 62.607 63.100 -0.168 0.000 0.790 409 P CB 0.806 32.400 31.700 -0.176 0.000 0.951 410 D N 1.172 121.478 120.400 -0.156 0.000 2.382 410 D HA 0.202 4.843 4.640 0.001 0.000 0.245 410 D C 0.209 176.446 176.300 -0.105 0.000 1.120 410 D CA 0.135 54.074 54.000 -0.101 0.000 0.890 410 D CB 0.423 41.196 40.800 -0.046 0.000 1.201 410 D HN 0.246 nan 8.370 nan 0.000 0.433 411 L N 1.982 123.136 121.223 -0.114 0.000 2.265 411 L HA 0.300 4.640 4.340 0.001 0.000 0.288 411 L C 0.685 177.553 176.870 -0.003 0.000 1.058 411 L CA -0.204 54.572 54.840 -0.106 0.000 0.809 411 L CB 0.901 42.703 42.059 -0.428 0.000 1.179 411 L HN 0.445 nan 8.230 nan 0.000 0.429 412 T N 0.684 115.191 114.554 -0.079 0.000 2.906 412 T HA 0.657 5.007 4.350 0.001 0.000 0.295 412 T C -0.314 173.737 174.700 -1.083 0.000 1.061 412 T CA -1.090 60.691 62.100 -0.531 0.000 1.000 412 T CB 2.058 70.722 68.868 -0.341 0.000 1.103 412 T HN 0.438 nan 8.240 nan 0.000 0.486 413 R N 0.474 119.736 120.500 -2.063 0.000 2.720 413 R HA 0.674 5.015 4.340 0.001 0.000 0.272 413 R C -0.102 175.381 176.300 -1.360 0.000 0.991 413 R CA -0.920 54.230 56.100 -1.582 0.000 1.010 413 R CB 1.373 30.869 30.300 -1.341 0.000 1.141 413 R HN 0.663 nan 8.270 nan 0.000 0.494 414 E N -0.577 119.250 120.200 -0.622 0.000 2.320 414 E HA 0.230 4.580 4.350 0.001 0.000 0.264 414 E C 0.349 176.908 176.600 -0.068 0.000 0.923 414 E CA -0.587 55.653 56.400 -0.267 0.000 0.796 414 E CB 2.035 31.685 29.700 -0.084 0.000 1.262 414 E HN 0.813 nan 8.360 nan 0.000 0.428 415 G N 0.780 109.623 108.800 0.072 0.000 2.683 415 G HA2 0.050 4.010 3.960 0.001 0.000 0.213 415 G HA3 0.050 4.010 3.960 0.001 0.000 0.213 415 G C 0.651 175.623 174.900 0.121 0.000 1.142 415 G CA 0.503 45.680 45.100 0.129 0.000 0.793 415 G HN 0.450 nan 8.290 nan 0.000 0.534 416 G N -0.379 108.489 108.800 0.113 0.000 2.535 416 G HA2 0.473 4.433 3.960 0.001 0.000 0.282 416 G HA3 0.473 4.433 3.960 0.001 0.000 0.282 416 G C -0.632 174.328 174.900 0.100 0.000 1.350 416 G CA -0.149 45.017 45.100 0.110 0.000 1.039 416 G HN 0.226 nan 8.290 nan 0.000 0.509 417 S N -1.037 114.716 115.700 0.089 0.000 2.547 417 S HA 0.548 5.018 4.470 0.001 0.000 0.281 417 S C -0.774 173.849 174.600 0.039 0.000 1.118 417 S CA -0.329 57.913 58.200 0.070 0.000 0.947 417 S CB 1.655 64.892 63.200 0.063 0.000 1.053 417 S HN 0.458 nan 8.310 nan 0.000 0.482 418 I N 3.326 123.903 120.570 0.013 0.000 2.563 418 I HA 0.270 4.441 4.170 0.001 0.000 0.276 418 I C -2.157 173.902 176.117 -0.097 0.000 1.074 418 I CA -2.145 59.138 61.300 -0.029 0.000 1.124 418 I CB 2.026 40.018 38.000 -0.013 0.000 1.225 418 I HN 0.363 nan 8.210 nan 0.000 0.482 419 P HA -0.211 nan 4.420 nan 0.000 0.216 419 P C 1.729 178.923 177.300 -0.177 0.000 1.154 419 P CA 1.080 64.121 63.100 -0.100 0.000 0.865 419 P CB 0.445 32.087 31.700 -0.096 0.000 0.789 420 V N -0.337 119.409 119.914 -0.281 0.000 2.970 420 V HA -0.183 3.938 4.120 0.001 0.000 0.260 420 V C 2.247 178.095 176.094 -0.410 0.000 1.100 420 V CA 2.431 64.468 62.300 -0.439 0.000 1.122 420 V CB -1.634 29.802 31.823 -0.645 0.000 0.721 420 V HN 0.322 nan 8.190 nan 0.000 0.483 421 T N -1.315 113.006 114.554 -0.389 0.000 2.665 421 T HA -0.282 4.069 4.350 0.001 0.000 0.268 421 T C 1.863 176.285 174.700 -0.464 0.000 1.035 421 T CA 2.058 63.816 62.100 -0.571 0.000 1.151 421 T CB -0.602 67.598 68.868 -1.114 0.000 0.862 421 T HN 0.394 nan 8.240 nan 0.000 0.438 422 L N 1.655 122.736 121.223 -0.236 0.000 2.093 422 L HA 0.025 4.366 4.340 0.001 0.000 0.208 422 L C 2.656 179.486 176.870 -0.067 0.000 1.085 422 L CA 2.031 56.874 54.840 0.006 0.000 0.755 422 L CB -1.176 40.955 42.059 0.122 0.000 0.904 422 L HN 0.322 nan 8.230 nan 0.000 0.435 423 T N -0.411 114.022 114.554 -0.202 0.000 2.684 423 T HA -0.203 4.147 4.350 0.001 0.000 0.267 423 T C 1.655 176.024 174.700 -0.552 0.000 1.036 423 T CA 2.013 63.885 62.100 -0.382 0.000 1.148 423 T CB -0.543 68.021 68.868 -0.506 0.000 0.863 423 T HN 0.221 nan 8.240 nan 0.000 0.436 424 F N 1.333 121.039 119.950 -0.407 0.000 2.134 424 F HA -0.069 4.458 4.527 0.001 0.000 0.299 424 F C 2.773 178.415 175.800 -0.264 0.000 1.097 424 F CA 1.021 58.779 58.000 -0.403 0.000 1.264 424 F CB -0.796 37.971 39.000 -0.388 0.000 1.001 424 F HN 0.148 nan 8.300 nan 0.000 0.479 425 Q N 0.236 120.050 119.800 0.024 0.000 2.096 425 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 425 Q C 2.007 178.030 176.000 0.038 0.000 0.982 425 Q CA 2.161 58.014 55.803 0.084 0.000 0.850 425 Q CB -0.101 28.764 28.738 0.211 0.000 0.901 425 Q HN 0.497 nan 8.270 nan 0.000 0.422 426 E N -0.604 119.598 120.200 0.004 0.000 2.051 426 E HA -0.089 4.262 4.350 0.001 0.000 0.189 426 E C 1.884 178.484 176.600 -0.001 0.000 0.979 426 E CA 0.723 57.153 56.400 0.049 0.000 0.803 426 E CB -0.072 29.723 29.700 0.159 0.000 0.761 426 E HN 0.453 nan 8.360 nan 0.000 0.451 427 A N 1.060 123.728 122.820 -0.252 0.000 1.968 427 A HA -0.130 4.191 4.320 0.001 0.000 0.217 427 A C 2.333 179.827 177.584 -0.150 0.000 1.169 427 A CA 1.919 53.744 52.037 -0.354 0.000 0.638 427 A CB -0.532 17.942 19.000 -0.877 0.000 0.812 427 A HN 0.376 nan 8.150 nan 0.000 0.446 428 T N -5.630 108.855 114.554 -0.115 0.000 3.034 428 T HA 0.393 4.744 4.350 0.001 0.000 0.248 428 T C 1.579 176.262 174.700 -0.028 0.000 1.040 428 T CA 1.170 63.235 62.100 -0.058 0.000 1.107 428 T CB -0.049 68.787 68.868 -0.055 0.000 0.932 428 T HN 1.621 nan 8.240 nan 0.000 0.474 429 G N 1.981 110.774 108.800 -0.012 0.000 2.168 429 G HA2 -0.231 3.730 3.960 0.001 0.000 0.263 429 G HA3 -0.231 3.730 3.960 0.001 0.000 0.263 429 G C 0.062 174.958 174.900 -0.006 0.000 0.977 429 G CA 0.424 45.528 45.100 0.006 0.000 0.659 429 G HN 0.638 nan 8.290 nan 0.000 0.533 430 K N 0.397 120.779 120.400 -0.030 0.000 2.106 430 K HA 0.318 4.639 4.320 0.001 0.000 0.246 430 K C 0.288 176.861 176.600 -0.045 0.000 0.987 430 K CA -1.023 55.220 56.287 -0.073 0.000 0.904 430 K CB 0.583 33.002 32.500 -0.136 0.000 1.071 430 K HN 0.232 nan 8.250 nan 0.000 0.453 431 N N 1.107 119.735 118.700 -0.119 0.000 2.497 431 N HA 0.066 4.807 4.740 0.001 0.000 0.271 431 N C -1.111 174.500 175.510 0.169 0.000 1.142 431 N CA -0.077 52.945 53.050 -0.046 0.000 0.965 431 N CB 0.723 38.956 38.487 -0.424 0.000 1.077 431 N HN 0.063 nan 8.380 nan 0.000 0.462 432 V N 5.066 125.174 119.914 0.325 0.000 2.435 432 V HA 0.429 4.550 4.120 0.001 0.000 0.290 432 V C 0.196 176.577 176.094 0.479 0.000 1.030 432 V CA -0.596 61.885 62.300 0.302 0.000 0.881 432 V CB 1.380 33.285 31.823 0.137 0.000 0.983 432 V HN 0.710 nan 8.190 nan 0.000 0.445 433 M N 5.244 124.973 119.600 0.215 0.000 2.393 433 M HA 0.661 5.142 4.480 0.001 0.000 0.299 433 M C -2.185 174.082 176.300 -0.055 0.000 1.103 433 M CA -0.721 54.539 55.300 -0.066 0.000 0.910 433 M CB 1.950 34.100 32.600 -0.750 0.000 1.659 433 M HN 0.472 nan 8.290 nan 0.000 0.445 434 L N 5.350 126.593 121.223 0.032 0.000 2.296 434 L HA 0.535 4.875 4.340 0.001 0.000 0.286 434 L C -1.159 175.658 176.870 -0.088 0.000 1.023 434 L CA -0.013 54.819 54.840 -0.014 0.000 0.812 434 L CB 1.654 43.751 42.059 0.062 0.000 1.223 434 L HN 0.673 nan 8.230 nan 0.000 0.421 435 L N 6.799 127.950 121.223 -0.120 0.000 2.301 435 L HA 0.440 4.781 4.340 0.001 0.000 0.278 435 L C -2.120 174.704 176.870 -0.077 0.000 1.022 435 L CA -1.710 53.047 54.840 -0.138 0.000 0.854 435 L CB 1.470 43.386 42.059 -0.239 0.000 1.226 435 L HN 0.373 nan 8.230 nan 0.000 0.429 436 P HA 0.067 nan 4.420 nan 0.000 0.275 436 P C 0.385 177.751 177.300 0.110 0.000 1.227 436 P CA -0.180 62.929 63.100 0.015 0.000 0.781 436 P CB 2.470 34.234 31.700 0.107 0.000 0.906 437 V N 2.477 122.408 119.914 0.028 0.000 3.048 437 V HA 0.158 4.279 4.120 0.001 0.000 0.241 437 V C 1.530 177.603 176.094 -0.034 0.000 1.129 437 V CA 1.379 63.699 62.300 0.033 0.000 1.128 437 V CB -0.381 31.427 31.823 -0.025 0.000 0.849 437 V HN 0.701 nan 8.190 nan 0.000 0.475 438 G N -0.126 108.681 108.800 0.012 0.000 2.599 438 G HA2 0.413 4.374 3.960 0.001 0.000 0.264 438 G HA3 0.413 4.374 3.960 0.001 0.000 0.264 438 G C -0.140 174.717 174.900 -0.070 0.000 1.200 438 G CA 0.015 45.149 45.100 0.057 0.000 0.896 438 G HN 0.300 nan 8.290 nan 0.000 0.536 439 S N -1.216 114.409 115.700 -0.125 0.000 2.745 439 S HA 0.496 4.966 4.470 0.001 0.000 0.292 439 S C 1.552 176.167 174.600 0.025 0.000 1.133 439 S CA 0.064 58.145 58.200 -0.197 0.000 0.998 439 S CB 1.628 64.665 63.200 -0.272 0.000 1.087 439 S HN 0.912 nan 8.310 nan 0.000 0.551 440 A N 0.834 123.710 122.820 0.093 0.000 2.172 440 A HA -0.047 4.274 4.320 0.001 0.000 0.216 440 A C 0.970 178.603 177.584 0.081 0.000 1.154 440 A CA 1.409 53.551 52.037 0.175 0.000 0.701 440 A CB -0.415 18.748 19.000 0.273 0.000 0.789 440 A HN 0.772 nan 8.150 nan 0.000 0.465 441 D N -1.903 118.494 120.400 -0.005 0.000 2.623 441 D HA 0.093 4.734 4.640 0.001 0.000 0.252 441 D C -0.176 176.055 176.300 -0.116 0.000 1.294 441 D CA -0.159 53.811 54.000 -0.049 0.000 0.824 441 D CB -0.267 40.516 40.800 -0.028 0.000 1.070 441 D HN 0.073 nan 8.370 nan 0.000 0.487 442 D N 1.256 121.558 120.400 -0.163 0.000 2.219 442 D HA 0.064 4.705 4.640 0.001 0.000 0.205 442 D C 1.759 177.939 176.300 -0.200 0.000 0.970 442 D CA 1.757 55.641 54.000 -0.193 0.000 0.851 442 D CB -0.225 40.462 40.800 -0.187 0.000 0.943 442 D HN 0.508 nan 8.370 nan 0.000 0.488 443 G N 0.248 108.913 108.800 -0.225 0.000 2.212 443 G HA2 -0.181 3.779 3.960 0.001 0.000 0.255 443 G HA3 -0.181 3.779 3.960 0.001 0.000 0.255 443 G C 0.446 175.263 174.900 -0.139 0.000 1.062 443 G CA 0.200 45.193 45.100 -0.178 0.000 0.815 443 G HN 0.586 nan 8.290 nan 0.000 0.497 444 A N -0.172 122.527 122.820 -0.201 0.000 2.587 444 A HA 0.421 4.742 4.320 0.001 0.000 0.235 444 A C 1.425 179.081 177.584 0.120 0.000 1.044 444 A CA 1.687 53.709 52.037 -0.025 0.000 0.754 444 A CB -0.337 18.600 19.000 -0.105 0.000 0.968 444 A HN 1.634 nan 8.150 nan 0.000 0.509 445 H N -0.573 118.515 119.070 0.030 0.000 3.395 445 H HA -0.173 4.383 4.556 0.001 0.000 0.222 445 H C 0.653 175.998 175.328 0.030 0.000 1.099 445 H CA 0.703 56.780 56.048 0.049 0.000 1.182 445 H CB -1.306 28.486 29.762 0.049 0.000 1.188 445 H HN 0.685 nan 8.280 nan 0.000 0.317 446 S N -0.346 115.406 115.700 0.086 0.000 2.766 446 S HA 0.412 4.882 4.470 0.001 0.000 0.307 446 S C -0.132 174.333 174.600 -0.226 0.000 1.121 446 S CA -0.840 57.330 58.200 -0.050 0.000 0.980 446 S CB 1.670 64.800 63.200 -0.116 0.000 1.159 446 S HN 0.257 nan 8.310 nan 0.000 0.546 447 Q N 1.387 120.923 119.800 -0.440 0.000 2.394 447 Q HA 0.355 4.696 4.340 0.001 0.000 0.248 447 Q C -0.037 175.236 176.000 -1.212 0.000 0.992 447 Q CA 0.608 55.723 55.803 -1.147 0.000 0.888 447 Q CB -0.091 28.194 28.738 -0.755 0.000 1.257 447 Q HN 0.753 nan 8.270 nan 0.000 0.462 448 N N -0.525 116.952 118.700 -2.038 0.000 2.725 448 N HA -0.243 4.498 4.740 0.001 0.000 0.249 448 N C -0.913 174.415 175.510 -0.303 0.000 1.103 448 N CA 0.582 53.167 53.050 -0.775 0.000 0.707 448 N CB -0.802 37.495 38.487 -0.318 0.000 1.043 448 N HN 0.673 nan 8.380 nan 0.000 0.553 449 E N 1.345 121.302 120.200 -0.404 0.000 2.529 449 E HA 0.001 4.352 4.350 0.001 0.000 0.259 449 E C 0.018 176.609 176.600 -0.016 0.000 0.966 449 E CA 0.422 56.783 56.400 -0.065 0.000 0.937 449 E CB 0.475 30.239 29.700 0.107 0.000 0.923 449 E HN 0.307 nan 8.360 nan 0.000 0.468 450 K N 3.043 123.340 120.400 -0.173 0.000 2.509 450 K HA 0.587 4.908 4.320 0.001 0.000 0.266 450 K C -1.693 174.765 176.600 -0.237 0.000 0.987 450 K CA -0.974 55.111 56.287 -0.337 0.000 0.868 450 K CB 1.157 33.125 32.500 -0.886 0.000 1.421 450 K HN 0.303 nan 8.250 nan 0.000 0.444 451 L N 1.309 122.388 121.223 -0.241 0.000 2.381 451 L HA 0.530 4.870 4.340 0.001 0.000 0.274 451 L C -1.459 175.297 176.870 -0.191 0.000 0.988 451 L CA -0.435 54.297 54.840 -0.181 0.000 0.824 451 L CB 1.731 43.702 42.059 -0.147 0.000 1.263 451 L HN 0.682 nan 8.230 nan 0.000 0.410 452 N N 3.514 122.112 118.700 -0.170 0.000 2.412 452 N HA 0.014 4.755 4.740 0.001 0.000 0.254 452 N C 0.910 176.388 175.510 -0.055 0.000 1.232 452 N CA 0.177 53.149 53.050 -0.131 0.000 0.880 452 N CB 0.747 39.151 38.487 -0.138 0.000 1.076 452 N HN 0.641 nan 8.380 nan 0.000 0.458 453 R N 1.505 121.990 120.500 -0.025 0.000 2.091 453 R HA -0.140 4.200 4.340 0.001 0.000 0.238 453 R C 1.805 178.138 176.300 0.056 0.000 1.136 453 R CA 1.080 57.211 56.100 0.051 0.000 0.959 453 R CB -0.240 30.083 30.300 0.038 0.000 0.856 453 R HN 0.509 nan 8.270 nan 0.000 0.437 454 L N 1.383 122.610 121.223 0.006 0.000 2.012 454 L HA -0.210 4.131 4.340 0.001 0.000 0.210 454 L C 1.615 178.494 176.870 0.015 0.000 1.073 454 L CA 1.888 56.730 54.840 0.003 0.000 0.748 454 L CB -0.596 41.461 42.059 -0.003 0.000 0.891 454 L HN 0.295 nan 8.230 nan 0.000 0.431 455 N N -1.807 116.879 118.700 -0.023 0.000 2.120 455 N HA -0.259 4.482 4.740 0.001 0.000 0.188 455 N C 1.883 177.425 175.510 0.053 0.000 1.024 455 N CA 1.555 54.587 53.050 -0.031 0.000 0.852 455 N CB -0.292 38.092 38.487 -0.172 0.000 1.003 455 N HN 0.381 nan 8.380 nan 0.000 0.424 456 Y N 2.250 122.499 120.300 -0.085 0.000 2.145 456 Y HA -0.124 4.427 4.550 0.001 0.000 0.286 456 Y C 2.170 178.018 175.900 -0.088 0.000 1.145 456 Y CA 1.194 59.240 58.100 -0.091 0.000 1.148 456 Y CB -0.302 38.108 38.460 -0.083 0.000 0.981 456 Y HN -0.048 nan 8.280 nan 0.000 0.507 457 I N 0.147 120.639 120.570 -0.130 0.000 2.277 457 I HA -0.157 4.014 4.170 0.001 0.000 0.243 457 I C 2.178 178.164 176.117 -0.217 0.000 1.094 457 I CA 1.160 62.329 61.300 -0.218 0.000 1.393 457 I CB -1.390 36.549 38.000 -0.100 0.000 1.078 457 I HN 0.197 nan 8.210 nan 0.000 0.417 458 E N 1.168 121.277 120.200 -0.152 0.000 2.110 458 E HA -0.133 4.217 4.350 0.001 0.000 0.193 458 E C 2.297 178.781 176.600 -0.193 0.000 0.988 458 E CA 1.259 57.520 56.400 -0.233 0.000 0.804 458 E CB -0.551 29.049 29.700 -0.167 0.000 0.745 458 E HN 0.518 nan 8.360 nan 0.000 0.458 459 G N 0.979 109.753 108.800 -0.043 0.000 2.446 459 G HA2 -0.289 3.671 3.960 0.001 0.000 0.217 459 G HA3 -0.289 3.671 3.960 0.001 0.000 0.217 459 G C 1.717 176.499 174.900 -0.196 0.000 1.168 459 G CA 1.575 46.653 45.100 -0.036 0.000 0.771 459 G HN 0.252 nan 8.290 nan 0.000 0.551 460 T N 0.863 115.246 114.554 -0.286 0.000 2.720 460 T HA -0.091 4.260 4.350 0.001 0.000 0.268 460 T C 2.344 176.895 174.700 -0.248 0.000 1.037 460 T CA 1.559 63.462 62.100 -0.327 0.000 1.144 460 T CB -0.173 68.419 68.868 -0.459 0.000 0.864 460 T HN 0.353 nan 8.240 nan 0.000 0.444 461 K N 0.761 120.963 120.400 -0.330 0.000 2.057 461 K HA 0.015 4.336 4.320 0.001 0.000 0.207 461 K C 2.414 178.876 176.600 -0.229 0.000 1.049 461 K CA 0.980 56.984 56.287 -0.472 0.000 0.931 461 K CB -0.265 31.597 32.500 -1.063 0.000 0.714 461 K HN 0.227 nan 8.250 nan 0.000 0.440 462 M N 1.326 120.800 119.600 -0.210 0.000 2.080 462 M HA -0.168 4.312 4.480 0.001 0.000 0.260 462 M C 1.952 178.273 176.300 0.034 0.000 1.068 462 M CA 1.700 56.974 55.300 -0.043 0.000 1.109 462 M CB -0.366 32.252 32.600 0.031 0.000 1.342 462 M HN 0.159 nan 8.290 nan 0.000 0.405 463 L N -0.035 121.131 121.223 -0.095 0.000 2.046 463 L HA -0.167 4.173 4.340 0.001 0.000 0.208 463 L C 2.749 179.736 176.870 0.196 0.000 1.077 463 L CA 1.215 55.974 54.840 -0.135 0.000 0.747 463 L CB -1.134 40.580 42.059 -0.575 0.000 0.896 463 L HN 0.343 nan 8.230 nan 0.000 0.432 464 A N 0.279 123.219 122.820 0.200 0.000 1.883 464 A HA -0.238 4.083 4.320 0.001 0.000 0.217 464 A C 2.549 180.392 177.584 0.432 0.000 1.186 464 A CA 2.005 54.270 52.037 0.380 0.000 0.624 464 A CB -0.794 18.354 19.000 0.247 0.000 0.822 464 A HN 0.418 nan 8.150 nan 0.000 0.444 465 A N -1.384 121.670 122.820 0.390 0.000 1.902 465 A HA -0.116 4.205 4.320 0.001 0.000 0.217 465 A C 2.145 179.926 177.584 0.328 0.000 1.181 465 A CA 1.775 54.036 52.037 0.373 0.000 0.623 465 A CB -0.855 18.366 19.000 0.369 0.000 0.818 465 A HN 0.868 nan 8.150 nan 0.000 0.443 466 Y N 0.705 121.116 120.300 0.186 0.000 2.145 466 Y HA -0.191 4.360 4.550 0.001 0.000 0.286 466 Y C 1.885 177.875 175.900 0.150 0.000 1.145 466 Y CA 1.850 60.028 58.100 0.130 0.000 1.148 466 Y CB -0.480 38.041 38.460 0.102 0.000 0.981 466 Y HN 0.206 nan 8.280 nan 0.000 0.507 467 L N -0.876 120.331 121.223 -0.027 0.000 2.042 467 L HA -0.260 4.080 4.340 0.001 0.000 0.210 467 L C 2.436 179.235 176.870 -0.119 0.000 1.076 467 L CA 1.982 56.734 54.840 -0.148 0.000 0.749 467 L CB -1.027 41.087 42.059 0.090 0.000 0.893 467 L HN 0.357 nan 8.230 nan 0.000 0.432 468 Y N 1.126 121.416 120.300 -0.018 0.000 2.145 468 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 468 Y C 2.631 178.487 175.900 -0.072 0.000 1.145 468 Y CA 1.637 59.732 58.100 -0.009 0.000 1.148 468 Y CB -0.119 38.394 38.460 0.088 0.000 0.981 468 Y HN 0.122 nan 8.280 nan 0.000 0.507 469 E N -0.288 119.789 120.200 -0.206 0.000 2.153 469 E HA -0.145 4.205 4.350 0.001 0.000 0.194 469 E C 2.447 178.842 176.600 -0.342 0.000 0.988 469 E CA 1.295 57.528 56.400 -0.278 0.000 0.811 469 E CB -0.496 29.173 29.700 -0.052 0.000 0.746 469 E HN 0.442 nan 8.360 nan 0.000 0.466 470 V N 1.824 121.491 119.914 -0.412 0.000 2.407 470 V HA -0.236 3.885 4.120 0.001 0.000 0.248 470 V C 2.562 178.486 176.094 -0.284 0.000 1.055 470 V CA 1.927 63.979 62.300 -0.413 0.000 1.049 470 V CB -0.734 30.762 31.823 -0.544 0.000 0.662 470 V HN 0.331 nan 8.190 nan 0.000 0.455 471 S N -0.577 114.938 115.700 -0.307 0.000 2.474 471 S HA -0.185 4.286 4.470 0.001 0.000 0.235 471 S C 1.694 176.139 174.600 -0.258 0.000 0.997 471 S CA 0.945 58.996 58.200 -0.247 0.000 0.949 471 S CB -0.214 62.841 63.200 -0.242 0.000 0.766 471 S HN 0.595 nan 8.310 nan 0.000 0.517 472 Q N 0.411 120.006 119.800 -0.342 0.000 2.319 472 Q HA 0.404 4.744 4.340 0.001 0.000 0.209 472 Q C 0.275 176.185 176.000 -0.150 0.000 0.884 472 Q CA -0.088 55.553 55.803 -0.272 0.000 0.938 472 Q CB -0.019 28.491 28.738 -0.379 0.000 1.098 472 Q HN 0.560 nan 8.270 nan 0.000 0.517 473 L N 3.052 124.198 121.223 -0.127 0.000 2.490 473 L HA -0.024 4.316 4.340 0.001 0.000 0.274 473 L C 0.744 177.602 176.870 -0.020 0.000 1.201 473 L CA 0.501 55.307 54.840 -0.056 0.000 0.869 473 L CB 0.136 42.179 42.059 -0.027 0.000 1.123 473 L HN 0.002 nan 8.230 nan 0.000 0.484 474 K N 0.000 120.393 120.400 -0.011 0.000 2.780 474 K HA 0.000 4.321 4.320 0.001 0.000 0.191 474 K CA 0.000 56.281 56.287 -0.011 0.000 0.838 474 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 474 K HN 0.000 nan 8.250 nan 0.000 0.543