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 2nx9_1_A DATA FIRST_RESID 4 DATA SEQUENCE AIKRVGVTDV VLRDAHQSLF ATRLRIDDML PIAQQLDQIG YWSLECWGGA DATA SEQUENCE TFDSCIRFLG EDPWQRLRLL KQAMPNTPLQ MLLRGQNLLG YRHYADDVVD DATA SEQUENCE TFVERAVKNG MDVFRVFDAM NDVRNMQQAL QAVKKMGAHA QGTLCYTTSP DATA SEQUENCE VHNLQTWVDV AQQLAELGVD SIALKDMAGI LTPYAAEELV STLKKQVDVE DATA SEQUENCE LHLHCHSTAG LADMTLLKAI EAGVDRVDTA ISSMSGTYGH PATESLVATL DATA SEQUENCE QGTGYDTGLD IAKLEQIAAY FRDVRKKYHA FEGMMKGSDA RILVAQVPGG DATA SEQUENCE MLTNMESQLK QQNALDKLDL VLEEIPRVRE ELGFLPLVTP TSQIVGTQAV DATA SEQUENCE INVVLGERYK TITKETSGVL KGEYGKTPAP VNTELQARVL AGAEAITCRP DATA SEQUENCE ADLIAAEMPT LQDRVLQQAK EQHITLAENA IDDVLTIALF DQVGWKFLAN DATA SEQUENCE R 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.590 177.584 0.010 0.000 1.274 4 A CA 0.000 52.042 52.037 0.008 0.000 0.836 4 A CB 0.000 19.003 19.000 0.004 0.000 0.831 5 I N 3.341 123.890 120.570 -0.034 0.000 2.668 5 I HA 0.237 4.386 4.170 -0.035 0.000 0.285 5 I C 0.753 176.817 176.117 -0.089 0.000 1.168 5 I CA 0.922 62.156 61.300 -0.110 0.000 1.424 5 I CB 0.517 38.291 38.000 -0.376 0.000 1.377 5 I HN 0.716 nan 8.210 nan 0.000 0.560 6 K N 6.170 126.566 120.400 -0.008 0.000 2.522 6 K HA 0.447 4.746 4.320 -0.035 0.000 0.275 6 K C -0.650 175.985 176.600 0.057 0.000 1.006 6 K CA -1.178 55.111 56.287 0.002 0.000 0.890 6 K CB 1.174 33.681 32.500 0.013 0.000 1.475 6 K HN 0.431 nan 8.250 nan 0.000 0.441 7 R N 1.553 122.073 120.500 0.033 0.000 2.485 7 R HA 0.020 4.339 4.340 -0.035 0.000 0.304 7 R C -0.770 175.558 176.300 0.047 0.000 0.934 7 R CA -0.118 56.011 56.100 0.048 0.000 1.102 7 R CB 0.139 30.457 30.300 0.031 0.000 0.906 7 R HN 0.395 nan 8.270 nan 0.000 0.407 8 V N 5.098 125.047 119.914 0.058 0.000 2.461 8 V HA 0.287 4.386 4.120 -0.035 0.000 0.275 8 V C 1.100 177.173 176.094 -0.035 0.000 1.047 8 V CA 0.054 62.348 62.300 -0.010 0.000 0.955 8 V CB 1.320 33.126 31.823 -0.027 0.000 0.988 8 V HN 0.952 nan 8.190 nan 0.000 0.471 9 G N 3.871 112.606 108.800 -0.108 0.000 2.395 9 G HA2 0.522 4.461 3.960 -0.035 0.000 0.283 9 G HA3 0.522 4.461 3.960 -0.035 0.000 0.283 9 G C -0.768 174.093 174.900 -0.065 0.000 1.178 9 G CA -0.286 44.769 45.100 -0.075 0.000 0.837 9 G HN 0.589 nan 8.290 nan 0.000 0.518 10 V N 1.461 121.442 119.914 0.112 0.000 2.448 10 V HA 0.454 4.553 4.120 -0.035 0.000 0.295 10 V C 0.160 176.436 176.094 0.304 0.000 1.025 10 V CA -0.702 61.700 62.300 0.170 0.000 0.859 10 V CB 1.747 33.692 31.823 0.204 0.000 0.988 10 V HN 0.736 nan 8.190 nan 0.000 0.431 11 T N 3.630 118.306 114.554 0.203 0.000 2.767 11 T HA 0.260 4.589 4.350 -0.035 0.000 0.284 11 T C -0.435 174.181 174.700 -0.140 0.000 0.973 11 T CA -0.205 61.976 62.100 0.134 0.000 0.996 11 T CB 0.905 69.950 68.868 0.296 0.000 0.927 11 T HN 0.707 nan 8.240 nan 0.000 0.456 12 D N 2.335 122.421 120.400 -0.523 0.000 2.264 12 D HA 0.182 4.802 4.640 -0.035 0.000 0.250 12 D C 1.265 177.346 176.300 -0.365 0.000 1.113 12 D CA -0.321 53.340 54.000 -0.565 0.000 0.871 12 D CB 1.684 41.888 40.800 -0.993 0.000 1.167 12 D HN 0.380 nan 8.370 nan 0.000 0.447 13 V N 1.973 121.686 119.914 -0.335 0.000 3.649 13 V HA -0.018 4.081 4.120 -0.035 0.000 0.275 13 V C 2.157 178.091 176.094 -0.266 0.000 1.281 13 V CA 0.035 62.144 62.300 -0.318 0.000 1.143 13 V CB -0.142 31.369 31.823 -0.520 0.000 0.892 13 V HN 0.434 nan 8.190 nan 0.000 0.441 14 V N 1.446 121.198 119.914 -0.270 0.000 2.311 14 V HA -0.301 3.798 4.120 -0.035 0.000 0.256 14 V C 2.036 178.053 176.094 -0.129 0.000 1.077 14 V CA 2.941 65.074 62.300 -0.279 0.000 1.067 14 V CB -0.256 31.277 31.823 -0.482 0.000 0.659 14 V HN 0.664 nan 8.190 nan 0.000 0.451 15 L N -0.594 120.593 121.223 -0.059 0.000 2.627 15 L HA 0.191 4.510 4.340 -0.035 0.000 0.232 15 L C 2.110 179.097 176.870 0.194 0.000 1.150 15 L CA 0.313 55.229 54.840 0.127 0.000 0.917 15 L CB -0.281 41.838 42.059 0.100 0.000 1.104 15 L HN 0.321 nan 8.230 nan 0.000 0.445 16 R N -0.473 119.953 120.500 -0.124 0.000 5.102 16 R HA 0.006 4.325 4.340 -0.035 0.000 0.103 16 R C 0.879 176.817 176.300 -0.605 0.000 0.765 16 R CA 0.516 56.381 56.100 -0.392 0.000 0.959 16 R CB -0.314 29.890 30.300 -0.160 0.000 1.436 16 R HN -0.005 nan 8.270 nan 0.000 0.396 17 D N 1.139 121.360 120.400 -0.298 0.000 2.317 17 D HA 0.157 4.776 4.640 -0.035 0.000 0.211 17 D C 1.405 177.684 176.300 -0.036 0.000 0.966 17 D CA 1.033 54.956 54.000 -0.128 0.000 0.876 17 D CB 0.376 41.205 40.800 0.049 0.000 0.927 17 D HN 0.375 nan 8.370 nan 0.000 0.519 18 A N 0.368 123.111 122.820 -0.129 0.000 1.854 18 A HA -0.175 4.124 4.320 -0.035 0.000 0.214 18 A C 2.111 179.580 177.584 -0.191 0.000 1.192 18 A CA 1.662 53.682 52.037 -0.029 0.000 0.611 18 A CB -1.099 17.865 19.000 -0.059 0.000 0.832 18 A HN 0.585 nan 8.150 nan 0.000 0.442 19 H N -0.834 117.996 119.070 -0.400 0.000 2.389 19 H HA -0.143 4.393 4.556 -0.034 0.000 0.299 19 H C 2.010 176.944 175.328 -0.656 0.000 1.081 19 H CA 1.527 57.028 56.048 -0.912 0.000 1.345 19 H CB -0.555 28.606 29.762 -1.003 0.000 1.393 19 H HN 0.630 nan 8.280 nan 0.000 0.520 20 Q N 1.290 120.752 119.800 -0.563 0.000 2.084 20 Q HA -0.111 4.208 4.340 -0.035 0.000 0.202 20 Q C 2.097 177.973 176.000 -0.207 0.000 0.978 20 Q CA 2.093 57.698 55.803 -0.331 0.000 0.844 20 Q CB 0.172 28.742 28.738 -0.280 0.000 0.898 20 Q HN 0.427 nan 8.270 nan 0.000 0.426 21 S N -0.047 115.567 115.700 -0.144 0.000 2.425 21 S HA 0.062 4.512 4.470 -0.035 0.000 0.225 21 S C 1.744 176.299 174.600 -0.075 0.000 1.024 21 S CA 0.510 58.680 58.200 -0.051 0.000 0.951 21 S CB 0.092 63.335 63.200 0.072 0.000 0.796 21 S HN 0.339 nan 8.310 nan 0.000 0.498 22 L N 0.016 121.185 121.223 -0.091 0.000 2.202 22 L HA 0.235 4.555 4.340 -0.035 0.000 0.205 22 L C 0.152 177.139 176.870 0.195 0.000 1.083 22 L CA 0.700 55.584 54.840 0.073 0.000 0.790 22 L CB 0.091 42.256 42.059 0.177 0.000 0.942 22 L HN 0.445 nan 8.230 nan 0.000 0.452 23 F N -2.674 117.280 119.950 0.006 0.000 2.753 23 F HA 0.674 5.181 4.527 -0.033 0.000 0.379 23 F C 0.381 176.133 175.800 -0.080 0.000 1.419 23 F CA -0.804 57.220 58.000 0.041 0.000 1.113 23 F CB -0.591 38.493 39.000 0.140 0.000 2.071 23 F HN -0.071 nan 8.300 nan 0.000 0.563 24 A N 0.141 122.897 122.820 -0.107 0.000 2.799 24 A HA -0.206 4.093 4.320 -0.035 0.000 0.287 24 A C 1.226 178.660 177.584 -0.250 0.000 1.484 24 A CA 1.424 53.343 52.037 -0.197 0.000 0.813 24 A CB -2.751 16.097 19.000 -0.253 0.000 1.009 24 A HN 1.781 nan 8.150 nan 0.000 0.545 25 T N -2.317 112.106 114.554 -0.219 0.000 4.331 25 T HA -0.252 4.077 4.350 -0.035 0.000 0.323 25 T C 0.695 175.359 174.700 -0.060 0.000 0.836 25 T CA 1.523 63.602 62.100 -0.036 0.000 1.985 25 T CB -1.079 67.766 68.868 -0.038 0.000 1.919 25 T HN 0.891 nan 8.240 nan 0.000 0.905 26 R N -0.394 119.972 120.500 -0.225 0.000 2.310 26 R HA 0.310 4.629 4.340 -0.035 0.000 0.202 26 R C 0.800 177.014 176.300 -0.145 0.000 0.933 26 R CA -0.292 55.693 56.100 -0.192 0.000 1.054 26 R CB -0.384 29.717 30.300 -0.332 0.000 0.985 26 R HN 0.468 nan 8.270 nan 0.000 0.489 27 L N 2.456 123.413 121.223 -0.443 0.000 2.562 27 L HA 0.002 4.321 4.340 -0.035 0.000 0.271 27 L C 0.255 177.005 176.870 -0.199 0.000 1.167 27 L CA 0.509 55.066 54.840 -0.472 0.000 0.917 27 L CB 0.178 41.710 42.059 -0.878 0.000 1.187 27 L HN -0.040 nan 8.230 nan 0.000 0.482 28 R N 3.887 124.421 120.500 0.057 0.000 2.500 28 R HA 0.153 4.473 4.340 -0.035 0.000 0.275 28 R C 1.197 177.535 176.300 0.063 0.000 1.051 28 R CA -0.691 55.456 56.100 0.078 0.000 1.088 28 R CB 0.848 31.235 30.300 0.146 0.000 1.063 28 R HN 0.694 nan 8.270 nan 0.000 0.511 29 I N 1.500 122.101 120.570 0.051 0.000 2.399 29 I HA -0.283 3.866 4.170 -0.035 0.000 0.254 29 I C 0.941 177.100 176.117 0.071 0.000 1.146 29 I CA 1.832 63.165 61.300 0.056 0.000 1.412 29 I CB -0.102 37.926 38.000 0.046 0.000 1.076 29 I HN 0.608 nan 8.210 nan 0.000 0.432 30 D N -0.161 120.286 120.400 0.079 0.000 2.347 30 D HA -0.091 4.528 4.640 -0.035 0.000 0.213 30 D C 1.013 177.378 176.300 0.108 0.000 0.985 30 D CA 0.563 54.610 54.000 0.079 0.000 0.879 30 D CB -0.062 40.779 40.800 0.068 0.000 0.919 30 D HN 0.455 nan 8.370 nan 0.000 0.526 31 D N -0.083 120.400 120.400 0.139 0.000 2.354 31 D HA 0.106 4.725 4.640 -0.035 0.000 0.209 31 D C 1.910 178.345 176.300 0.225 0.000 1.015 31 D CA 0.227 54.339 54.000 0.187 0.000 0.867 31 D CB 0.473 41.415 40.800 0.236 0.000 0.933 31 D HN 0.245 nan 8.370 nan 0.000 0.520 32 M N -0.539 119.160 119.600 0.164 0.000 2.556 32 M HA 0.092 4.552 4.480 -0.035 0.000 0.259 32 M C 2.087 178.419 176.300 0.054 0.000 1.175 32 M CA 0.468 55.860 55.300 0.154 0.000 1.202 32 M CB 0.124 32.804 32.600 0.133 0.000 1.298 32 M HN -0.109 nan 8.290 nan 0.000 0.492 33 L N 0.354 121.603 121.223 0.042 0.000 2.127 33 L HA -0.159 4.160 4.340 -0.035 0.000 0.211 33 L C -0.556 176.287 176.870 -0.046 0.000 1.089 33 L CA 1.165 56.007 54.840 0.003 0.000 0.757 33 L CB -2.050 40.019 42.059 0.016 0.000 0.899 33 L HN 0.212 nan 8.230 nan 0.000 0.434 34 P HA -0.124 nan 4.420 nan 0.000 0.223 34 P C 1.352 178.450 177.300 -0.337 0.000 1.151 34 P CA 1.113 64.145 63.100 -0.114 0.000 0.787 34 P CB 0.154 31.864 31.700 0.017 0.000 0.788 35 I N -1.724 118.522 120.570 -0.541 0.000 3.976 35 I HA 0.281 4.430 4.170 -0.035 0.000 0.337 35 I C 1.711 177.695 176.117 -0.222 0.000 1.359 35 I CA -0.309 60.616 61.300 -0.626 0.000 1.098 35 I CB -0.534 36.761 38.000 -1.176 0.000 1.027 35 I HN -0.212 nan 8.210 nan 0.000 0.394 36 A N -0.249 122.498 122.820 -0.121 0.000 1.898 36 A HA -0.226 4.073 4.320 -0.035 0.000 0.216 36 A C 2.225 179.797 177.584 -0.020 0.000 1.181 36 A CA 1.681 53.700 52.037 -0.028 0.000 0.620 36 A CB -0.550 18.441 19.000 -0.015 0.000 0.819 36 A HN 0.546 nan 8.150 nan 0.000 0.442 37 Q N -0.826 118.948 119.800 -0.042 0.000 2.226 37 Q HA -0.215 4.104 4.340 -0.035 0.000 0.204 37 Q C 2.141 178.129 176.000 -0.020 0.000 0.975 37 Q CA 1.599 57.385 55.803 -0.028 0.000 0.866 37 Q CB -0.077 28.640 28.738 -0.035 0.000 0.915 37 Q HN 0.803 nan 8.270 nan 0.000 0.440 38 Q N -0.275 119.507 119.800 -0.031 0.000 2.123 38 Q HA -0.036 4.283 4.340 -0.035 0.000 0.196 38 Q C 2.186 178.207 176.000 0.035 0.000 0.958 38 Q CA 0.626 56.422 55.803 -0.013 0.000 0.841 38 Q CB 0.114 28.832 28.738 -0.035 0.000 0.915 38 Q HN 0.386 nan 8.270 nan 0.000 0.455 39 L N 0.844 122.116 121.223 0.082 0.000 2.129 39 L HA -0.248 4.071 4.340 -0.035 0.000 0.212 39 L C 1.827 178.791 176.870 0.157 0.000 1.087 39 L CA 1.200 56.149 54.840 0.183 0.000 0.757 39 L CB -0.227 41.947 42.059 0.192 0.000 0.896 39 L HN 0.245 nan 8.230 nan 0.000 0.434 40 D N -1.338 119.107 120.400 0.074 0.000 2.323 40 D HA -0.115 4.504 4.640 -0.035 0.000 0.209 40 D C 1.975 178.285 176.300 0.018 0.000 0.973 40 D CA 0.559 54.590 54.000 0.052 0.000 0.874 40 D CB 0.281 41.093 40.800 0.019 0.000 0.930 40 D HN 0.166 nan 8.370 nan 0.000 0.521 41 Q N -0.204 119.594 119.800 -0.002 0.000 2.360 41 Q HA 0.092 4.411 4.340 -0.035 0.000 0.202 41 Q C 1.720 177.680 176.000 -0.067 0.000 0.915 41 Q CA -0.063 55.723 55.803 -0.028 0.000 0.943 41 Q CB 0.657 29.380 28.738 -0.024 0.000 1.064 41 Q HN 0.404 nan 8.270 nan 0.000 0.511 42 I N -0.087 120.412 120.570 -0.117 0.000 2.252 42 I HA -0.098 4.051 4.170 -0.035 0.000 0.245 42 I C 1.312 177.267 176.117 -0.270 0.000 1.102 42 I CA 1.793 62.931 61.300 -0.271 0.000 1.385 42 I CB -0.841 36.791 38.000 -0.612 0.000 1.064 42 I HN 0.352 nan 8.210 nan 0.000 0.414 43 G N -0.502 108.176 108.800 -0.202 0.000 2.135 43 G HA2 -0.235 3.704 3.960 -0.035 0.000 0.183 43 G HA3 -0.235 3.704 3.960 -0.035 0.000 0.183 43 G C -0.048 174.822 174.900 -0.050 0.000 1.004 43 G CA -0.518 44.520 45.100 -0.102 0.000 0.677 43 G HN 0.163 nan 8.290 nan 0.000 0.512 44 Y N -1.008 119.314 120.300 0.037 0.000 2.578 44 Y HA 0.334 4.864 4.550 -0.033 0.000 0.339 44 Y C 1.517 177.473 175.900 0.093 0.000 1.231 44 Y CA 0.152 58.293 58.100 0.068 0.000 1.461 44 Y CB 0.409 38.896 38.460 0.046 0.000 1.323 44 Y HN 0.279 nan 8.280 nan 0.000 0.590 45 W N 1.964 123.367 121.300 0.170 0.000 2.379 45 W HA -0.042 4.596 4.660 -0.036 0.000 0.307 45 W C 0.257 176.814 176.519 0.063 0.000 1.200 45 W CA 1.744 59.135 57.345 0.076 0.000 1.297 45 W CB 0.022 29.503 29.460 0.034 0.000 1.140 45 W HN 0.474 nan 8.180 nan 0.000 0.507 46 S N -1.181 114.600 115.700 0.135 0.000 2.570 46 S HA 0.575 5.024 4.470 -0.035 0.000 0.270 46 S C -1.355 173.230 174.600 -0.024 0.000 1.149 46 S CA -1.035 57.116 58.200 -0.083 0.000 0.837 46 S CB 1.610 64.690 63.200 -0.200 0.000 1.124 46 S HN -0.024 nan 8.310 nan 0.000 0.465 47 L N 1.737 122.911 121.223 -0.082 0.000 2.298 47 L HA 0.519 4.838 4.340 -0.035 0.000 0.284 47 L C 0.257 177.071 176.870 -0.093 0.000 1.013 47 L CA -0.380 54.387 54.840 -0.121 0.000 0.824 47 L CB 1.524 43.530 42.059 -0.088 0.000 1.221 47 L HN 0.814 nan 8.230 nan 0.000 0.418 48 E N 3.110 123.249 120.200 -0.101 0.000 2.217 48 E HA 0.120 4.449 4.350 -0.035 0.000 0.279 48 E C -0.033 176.543 176.600 -0.041 0.000 1.068 48 E CA -0.206 56.153 56.400 -0.068 0.000 0.882 48 E CB 0.630 30.277 29.700 -0.089 0.000 1.039 48 E HN 0.848 nan 8.360 nan 0.000 0.418 49 C N 3.445 122.756 119.300 0.018 0.000 3.692 49 C HA 0.500 4.939 4.460 -0.035 0.000 0.277 49 C C -0.677 174.451 174.990 0.230 0.000 2.095 49 C CA -0.978 58.090 59.018 0.084 0.000 1.666 49 C CB -1.319 26.454 27.740 0.056 0.000 3.354 49 C HN 0.744 nan 8.230 nan 0.000 0.474 50 W N 0.530 121.785 121.300 -0.074 0.000 3.005 50 W HA 0.642 5.284 4.660 -0.029 0.000 0.343 50 W C 0.514 177.012 176.519 -0.035 0.000 1.243 50 W CA 1.180 58.489 57.345 -0.060 0.000 1.186 50 W CB 0.932 30.340 29.460 -0.087 0.000 1.453 50 W HN 1.131 nan 8.180 nan 0.000 0.575 51 G N 1.141 109.716 108.800 -0.374 0.000 2.584 51 G HA2 0.388 4.327 3.960 -0.035 0.000 0.229 51 G HA3 0.388 4.327 3.960 -0.035 0.000 0.229 51 G C 0.648 175.443 174.900 -0.174 0.000 1.320 51 G CA 0.898 45.813 45.100 -0.308 0.000 0.891 51 G HN 2.316 nan 8.290 nan 0.000 0.573 52 G N -1.051 107.705 108.800 -0.075 0.000 2.582 52 G HA2 0.187 4.126 3.960 -0.035 0.000 0.288 52 G HA3 0.187 4.126 3.960 -0.035 0.000 0.288 52 G C 1.485 176.356 174.900 -0.048 0.000 1.247 52 G CA 2.421 47.498 45.100 -0.037 0.000 0.972 52 G HN 2.571 nan 8.290 nan 0.000 0.557 53 A N -0.368 122.426 122.820 -0.044 0.000 2.259 53 A HA 0.422 4.721 4.320 -0.035 0.000 0.208 53 A C 2.353 179.907 177.584 -0.051 0.000 1.201 53 A CA 2.219 54.247 52.037 -0.014 0.000 0.824 53 A CB -0.783 18.218 19.000 0.001 0.000 0.838 53 A HN 2.037 nan 8.150 nan 0.000 0.485 54 T N -3.945 110.544 114.554 -0.108 0.000 2.995 54 T HA -0.077 4.252 4.350 -0.035 0.000 0.269 54 T C 1.545 176.115 174.700 -0.216 0.000 1.091 54 T CA 1.140 63.164 62.100 -0.126 0.000 1.128 54 T CB -0.458 68.339 68.868 -0.119 0.000 0.891 54 T HN 0.272 nan 8.240 nan 0.000 0.492 55 F N 2.561 122.259 119.950 -0.421 0.000 2.098 55 F HA 0.077 4.584 4.527 -0.034 0.000 0.294 55 F C 2.130 177.559 175.800 -0.619 0.000 1.107 55 F CA 1.473 59.160 58.000 -0.521 0.000 1.234 55 F CB -0.528 38.201 39.000 -0.452 0.000 1.002 55 F HN 0.170 nan 8.300 nan 0.000 0.472 56 D N -0.880 119.326 120.400 -0.325 0.000 2.133 56 D HA -0.226 4.393 4.640 -0.035 0.000 0.195 56 D C 2.360 178.399 176.300 -0.435 0.000 0.997 56 D CA 1.738 55.364 54.000 -0.623 0.000 0.840 56 D CB -0.384 40.304 40.800 -0.186 0.000 0.947 56 D HN 0.235 nan 8.370 nan 0.000 0.452 57 S N -1.461 114.122 115.700 -0.194 0.000 2.348 57 S HA -0.188 4.261 4.470 -0.035 0.000 0.221 57 S C 2.324 176.832 174.600 -0.153 0.000 1.033 57 S CA 1.342 59.527 58.200 -0.024 0.000 1.010 57 S CB -0.912 62.336 63.200 0.080 0.000 0.891 57 S HN 0.567 nan 8.310 nan 0.000 0.442 58 C N 1.756 120.901 119.300 -0.259 0.000 2.385 58 C HA -0.142 4.297 4.460 -0.035 0.000 0.275 58 C C 2.424 177.141 174.990 -0.454 0.000 1.207 58 C CA 1.329 60.149 59.018 -0.331 0.000 1.760 58 C CB -1.505 25.954 27.740 -0.468 0.000 2.051 58 C HN 0.822 nan 8.230 nan 0.000 0.467 59 I N -1.636 118.544 120.570 -0.651 0.000 3.427 59 I HA 0.107 4.256 4.170 -0.035 0.000 0.288 59 I C 2.347 178.240 176.117 -0.373 0.000 1.249 59 I CA 1.066 61.905 61.300 -0.768 0.000 1.421 59 I CB -0.564 36.893 38.000 -0.904 0.000 1.086 59 I HN 0.184 nan 8.210 nan 0.000 0.448 60 R N 0.153 120.375 120.500 -0.464 0.000 2.195 60 R HA 0.211 4.530 4.340 -0.035 0.000 0.197 60 R C 1.177 177.152 176.300 -0.542 0.000 0.990 60 R CA 0.757 56.514 56.100 -0.572 0.000 1.048 60 R CB 0.194 29.965 30.300 -0.882 0.000 0.997 60 R HN 0.324 nan 8.270 nan 0.000 0.502 61 F N -1.261 118.651 119.950 -0.063 0.000 2.747 61 F HA 0.277 4.781 4.527 -0.039 0.000 0.305 61 F C 1.363 177.157 175.800 -0.011 0.000 1.065 61 F CA -0.137 57.845 58.000 -0.029 0.000 1.230 61 F CB 0.368 39.329 39.000 -0.064 0.000 1.027 61 F HN -0.137 nan 8.300 nan 0.000 0.607 62 L N -0.632 120.664 121.223 0.122 0.000 2.556 62 L HA 0.371 4.690 4.340 -0.035 0.000 0.226 62 L C 1.536 178.458 176.870 0.088 0.000 1.089 62 L CA 0.648 55.543 54.840 0.091 0.000 0.864 62 L CB -0.286 41.798 42.059 0.043 0.000 1.067 62 L HN 0.321 nan 8.230 nan 0.000 0.477 63 G N 1.359 110.221 108.800 0.104 0.000 2.198 63 G HA2 -0.273 3.666 3.960 -0.035 0.000 0.260 63 G HA3 -0.273 3.666 3.960 -0.035 0.000 0.260 63 G C -0.011 175.034 174.900 0.242 0.000 1.025 63 G CA 0.208 45.434 45.100 0.209 0.000 0.769 63 G HN 0.455 nan 8.290 nan 0.000 0.507 64 E N -0.303 119.957 120.200 0.099 0.000 2.191 64 E HA 0.403 4.732 4.350 -0.035 0.000 0.274 64 E C -0.597 175.956 176.600 -0.078 0.000 0.948 64 E CA -0.818 55.615 56.400 0.054 0.000 0.802 64 E CB 1.259 30.944 29.700 -0.026 0.000 1.137 64 E HN 0.282 nan 8.360 nan 0.000 0.397 65 D N 3.273 123.741 120.400 0.113 0.000 2.343 65 D HA 0.054 4.673 4.640 -0.035 0.000 0.255 65 D C -1.503 174.714 176.300 -0.137 0.000 1.187 65 D CA -1.769 52.260 54.000 0.048 0.000 0.875 65 D CB 1.029 42.013 40.800 0.307 0.000 1.136 65 D HN 0.093 nan 8.370 nan 0.000 0.469 66 P HA -0.127 nan 4.420 nan 0.000 0.218 66 P C 0.736 178.022 177.300 -0.024 0.000 1.148 66 P CA 1.162 63.998 63.100 -0.440 0.000 0.822 66 P CB 0.006 30.883 31.700 -1.372 0.000 0.784 67 W N 0.510 121.852 121.300 0.071 0.000 2.418 67 W HA 0.022 4.663 4.660 -0.033 0.000 0.292 67 W C 2.885 179.380 176.519 -0.039 0.000 1.213 67 W CA 0.551 57.924 57.345 0.046 0.000 1.283 67 W CB -1.124 28.367 29.460 0.053 0.000 1.119 67 W HN 0.039 nan 8.180 nan 0.000 0.542 68 Q N 1.455 121.385 119.800 0.217 0.000 2.124 68 Q HA -0.236 4.083 4.340 -0.035 0.000 0.202 68 Q C 2.382 178.413 176.000 0.051 0.000 0.977 68 Q CA 1.764 57.634 55.803 0.111 0.000 0.850 68 Q CB -0.241 28.566 28.738 0.115 0.000 0.901 68 Q HN 0.288 nan 8.270 nan 0.000 0.429 69 R N -0.026 120.502 120.500 0.047 0.000 2.082 69 R HA -0.209 4.110 4.340 -0.035 0.000 0.234 69 R C 2.287 178.568 176.300 -0.031 0.000 1.136 69 R CA 1.622 57.740 56.100 0.030 0.000 0.935 69 R CB -0.605 29.738 30.300 0.071 0.000 0.842 69 R HN 0.392 nan 8.270 nan 0.000 0.430 70 L N 1.699 122.840 121.223 -0.136 0.000 1.991 70 L HA -0.250 4.069 4.340 -0.035 0.000 0.221 70 L C 2.274 179.025 176.870 -0.198 0.000 1.079 70 L CA 1.988 56.610 54.840 -0.364 0.000 0.778 70 L CB -0.789 40.831 42.059 -0.731 0.000 0.893 70 L HN 0.242 nan 8.230 nan 0.000 0.437 71 R N -1.169 119.264 120.500 -0.111 0.000 2.120 71 R HA -0.105 4.214 4.340 -0.035 0.000 0.234 71 R C 2.295 178.566 176.300 -0.048 0.000 1.123 71 R CA 1.247 57.306 56.100 -0.069 0.000 0.975 71 R CB -0.341 29.942 30.300 -0.028 0.000 0.866 71 R HN 0.418 nan 8.270 nan 0.000 0.446 72 L N 0.476 121.680 121.223 -0.031 0.000 2.072 72 L HA -0.153 4.166 4.340 -0.035 0.000 0.205 72 L C 2.338 179.194 176.870 -0.023 0.000 1.079 72 L CA 1.119 55.950 54.840 -0.016 0.000 0.752 72 L CB -0.387 41.674 42.059 0.004 0.000 0.906 72 L HN 0.198 nan 8.230 nan 0.000 0.436 73 L N -0.113 121.089 121.223 -0.035 0.000 2.042 73 L HA -0.238 4.081 4.340 -0.035 0.000 0.210 73 L C 2.658 179.500 176.870 -0.047 0.000 1.076 73 L CA 1.110 55.929 54.840 -0.034 0.000 0.749 73 L CB -0.489 41.544 42.059 -0.043 0.000 0.893 73 L HN 0.176 nan 8.230 nan 0.000 0.432 74 K N 0.392 120.749 120.400 -0.072 0.000 2.148 74 K HA -0.212 4.087 4.320 -0.035 0.000 0.204 74 K C 2.060 178.631 176.600 -0.049 0.000 1.050 74 K CA 1.448 57.692 56.287 -0.072 0.000 0.942 74 K CB -0.169 32.275 32.500 -0.094 0.000 0.724 74 K HN 0.384 nan 8.250 nan 0.000 0.446 75 Q N -0.796 118.980 119.800 -0.040 0.000 2.096 75 Q HA -0.010 4.309 4.340 -0.035 0.000 0.197 75 Q C 1.776 177.763 176.000 -0.023 0.000 0.964 75 Q CA 1.235 57.021 55.803 -0.028 0.000 0.838 75 Q CB -0.199 28.525 28.738 -0.023 0.000 0.906 75 Q HN 0.272 nan 8.270 nan 0.000 0.444 76 A N 0.804 123.612 122.820 -0.021 0.000 1.972 76 A HA -0.017 4.282 4.320 -0.035 0.000 0.219 76 A C 1.088 178.662 177.584 -0.016 0.000 1.169 76 A CA 1.048 53.075 52.037 -0.016 0.000 0.635 76 A CB -0.075 18.918 19.000 -0.011 0.000 0.810 76 A HN 0.474 nan 8.150 nan 0.000 0.446 77 M N -0.816 118.772 119.600 -0.020 0.000 2.126 77 M HA 0.235 4.694 4.480 -0.035 0.000 0.217 77 M C -2.436 173.847 176.300 -0.028 0.000 0.873 77 M CA -1.395 53.895 55.300 -0.017 0.000 0.707 77 M CB 1.937 34.532 32.600 -0.008 0.000 1.515 77 M HN -0.061 nan 8.290 nan 0.000 0.369 78 P HA -0.007 nan 4.420 nan 0.000 0.223 78 P C 0.555 177.836 177.300 -0.032 0.000 1.151 78 P CA 1.193 64.275 63.100 -0.029 0.000 0.787 78 P CB 0.228 31.914 31.700 -0.023 0.000 0.788 79 N N -1.729 116.955 118.700 -0.028 0.000 2.415 79 N HA 0.032 4.751 4.740 -0.035 0.000 0.174 79 N C 0.208 175.693 175.510 -0.043 0.000 1.048 79 N CA 0.784 53.816 53.050 -0.030 0.000 0.895 79 N CB -0.220 38.255 38.487 -0.020 0.000 1.036 79 N HN 0.062 nan 8.380 nan 0.000 0.449 80 T N 4.122 118.653 114.554 -0.039 0.000 2.758 80 T HA 0.316 4.645 4.350 -0.035 0.000 0.285 80 T C -2.616 172.025 174.700 -0.098 0.000 0.981 80 T CA -1.357 60.712 62.100 -0.052 0.000 0.965 80 T CB 2.230 71.110 68.868 0.020 0.000 0.927 80 T HN 0.008 nan 8.240 nan 0.000 0.448 81 P HA 0.082 nan 4.420 nan 0.000 0.264 81 P C -0.536 176.648 177.300 -0.192 0.000 1.183 81 P CA -0.115 62.857 63.100 -0.214 0.000 0.763 81 P CB 0.544 32.035 31.700 -0.349 0.000 0.807 82 L N 2.557 123.683 121.223 -0.163 0.000 2.312 82 L HA 0.391 4.710 4.340 -0.035 0.000 0.281 82 L C 0.888 177.660 176.870 -0.163 0.000 1.070 82 L CA -0.388 54.365 54.840 -0.144 0.000 0.805 82 L CB 0.655 42.625 42.059 -0.148 0.000 1.174 82 L HN 0.410 nan 8.230 nan 0.000 0.434 83 Q N 3.737 123.465 119.800 -0.119 0.000 2.342 83 Q HA 0.681 5.000 4.340 -0.035 0.000 0.267 83 Q C -0.977 174.982 176.000 -0.067 0.000 1.038 83 Q CA -0.786 54.954 55.803 -0.105 0.000 0.832 83 Q CB 2.448 31.157 28.738 -0.048 0.000 1.323 83 Q HN 0.676 nan 8.270 nan 0.000 0.448 84 M N 1.476 121.021 119.600 -0.091 0.000 2.690 84 M HA 0.581 5.040 4.480 -0.035 0.000 0.302 84 M C -1.774 174.551 176.300 0.042 0.000 1.234 84 M CA -1.189 54.123 55.300 0.021 0.000 0.853 84 M CB 1.707 34.372 32.600 0.108 0.000 1.748 84 M HN 0.536 nan 8.290 nan 0.000 0.469 85 L N 2.894 124.154 121.223 0.062 0.000 2.280 85 L HA 0.678 4.997 4.340 -0.035 0.000 0.287 85 L C -1.824 175.148 176.870 0.170 0.000 1.023 85 L CA -0.543 54.362 54.840 0.108 0.000 0.819 85 L CB 1.509 43.588 42.059 0.033 0.000 1.212 85 L HN 0.778 nan 8.230 nan 0.000 0.420 86 L N 5.041 126.405 121.223 0.234 0.000 2.381 86 L HA 0.526 4.845 4.340 -0.035 0.000 0.274 86 L C 0.132 176.988 176.870 -0.024 0.000 0.988 86 L CA -0.332 54.584 54.840 0.127 0.000 0.824 86 L CB 1.599 43.795 42.059 0.228 0.000 1.263 86 L HN 0.706 nan 8.230 nan 0.000 0.410 87 R N 3.930 124.261 120.500 -0.283 0.000 4.263 87 R HA 0.448 4.767 4.340 -0.035 0.000 0.248 87 R C 0.861 176.816 176.300 -0.574 0.000 1.796 87 R CA 0.770 56.385 56.100 -0.809 0.000 1.518 87 R CB -0.764 29.098 30.300 -0.729 0.000 1.342 87 R HN 1.009 nan 8.270 nan 0.000 0.706 88 G N 1.270 109.858 108.800 -0.354 0.000 2.591 88 G HA2 -0.477 3.463 3.960 -0.035 0.000 0.298 88 G HA3 -0.477 3.463 3.960 -0.035 0.000 0.298 88 G C 0.507 175.254 174.900 -0.256 0.000 1.195 88 G CA 0.498 45.450 45.100 -0.247 0.000 0.989 88 G HN 0.501 nan 8.290 nan 0.000 0.551 89 Q N 0.634 120.256 119.800 -0.297 0.000 2.364 89 Q HA 0.091 4.410 4.340 -0.035 0.000 0.207 89 Q C 2.280 178.081 176.000 -0.331 0.000 0.970 89 Q CA 2.044 57.665 55.803 -0.303 0.000 0.888 89 Q CB -0.315 28.200 28.738 -0.372 0.000 0.951 89 Q HN 0.608 nan 8.270 nan 0.000 0.469 90 N N -0.825 117.636 118.700 -0.400 0.000 2.422 90 N HA 0.046 4.765 4.740 -0.035 0.000 0.181 90 N C 0.440 175.832 175.510 -0.196 0.000 1.080 90 N CA 0.617 53.487 53.050 -0.300 0.000 0.893 90 N CB 0.370 38.653 38.487 -0.340 0.000 0.973 90 N HN 0.161 nan 8.380 nan 0.000 0.456 91 L N -0.667 120.363 121.223 -0.320 0.000 5.531 91 L HA -0.364 3.956 4.340 -0.035 0.000 0.053 91 L C 0.697 177.278 176.870 -0.481 0.000 2.831 91 L CA 1.377 55.900 54.840 -0.528 0.000 1.552 91 L CB -1.024 40.527 42.059 -0.847 0.000 2.889 91 L HN 0.080 nan 8.230 nan 0.000 0.964 92 L N -0.261 120.612 121.223 -0.584 0.000 2.959 92 L HA 0.356 4.675 4.340 -0.035 0.000 0.259 92 L C 0.935 177.576 176.870 -0.381 0.000 1.185 92 L CA 0.296 54.895 54.840 -0.401 0.000 0.998 92 L CB 0.489 42.274 42.059 -0.456 0.000 1.337 92 L HN 0.537 nan 8.230 nan 0.000 0.555 93 G N -0.585 108.002 108.800 -0.356 0.000 2.606 93 G HA2 0.173 4.112 3.960 -0.035 0.000 0.262 93 G HA3 0.173 4.112 3.960 -0.035 0.000 0.262 93 G C 0.052 174.879 174.900 -0.122 0.000 1.394 93 G CA -0.151 44.783 45.100 -0.277 0.000 1.044 93 G HN 0.208 nan 8.290 nan 0.000 0.553 94 Y N -1.316 118.865 120.300 -0.198 0.000 2.442 94 Y HA 0.451 4.975 4.550 -0.044 0.000 0.250 94 Y C 0.930 176.722 175.900 -0.180 0.000 1.113 94 Y CA -0.542 57.459 58.100 -0.166 0.000 1.273 94 Y CB -0.023 38.350 38.460 -0.145 0.000 1.138 94 Y HN 0.531 nan 8.280 nan 0.000 0.522 95 R N -1.221 118.770 120.500 -0.849 0.000 2.781 95 R HA 0.380 4.699 4.340 -0.035 0.000 0.269 95 R C -1.208 174.594 176.300 -0.830 0.000 1.025 95 R CA -0.891 54.735 56.100 -0.789 0.000 0.914 95 R CB 0.737 30.429 30.300 -1.014 0.000 1.236 95 R HN 0.105 nan 8.270 nan 0.000 0.465 96 H N 0.616 119.279 119.070 -0.677 0.000 2.886 96 H HA 0.070 4.601 4.556 -0.041 0.000 0.329 96 H C -0.718 174.202 175.328 -0.679 0.000 1.044 96 H CA 0.688 56.421 56.048 -0.525 0.000 1.456 96 H CB 0.455 30.006 29.762 -0.351 0.000 1.464 96 H HN 0.332 nan 8.280 nan 0.000 0.573 97 Y N 0.135 120.330 120.300 -0.176 0.000 2.487 97 Y HA 0.359 4.890 4.550 -0.032 0.000 0.337 97 Y C 0.595 176.439 175.900 -0.093 0.000 1.076 97 Y CA -0.893 57.115 58.100 -0.152 0.000 1.115 97 Y CB 1.048 39.397 38.460 -0.185 0.000 1.235 97 Y HN 0.696 nan 8.280 nan 0.000 0.468 98 A N 1.204 124.085 122.820 0.102 0.000 2.536 98 A HA -0.027 4.272 4.320 -0.035 0.000 0.234 98 A C 0.983 178.596 177.584 0.048 0.000 1.076 98 A CA 0.064 52.133 52.037 0.053 0.000 0.769 98 A CB 0.029 19.056 19.000 0.046 0.000 1.020 98 A HN 0.898 nan 8.150 nan 0.000 0.508 99 D N 0.531 120.946 120.400 0.025 0.000 2.144 99 D HA -0.166 4.453 4.640 -0.035 0.000 0.199 99 D C 1.514 177.826 176.300 0.020 0.000 0.984 99 D CA 1.827 55.837 54.000 0.017 0.000 0.834 99 D CB -0.229 40.576 40.800 0.009 0.000 0.955 99 D HN 0.785 nan 8.370 nan 0.000 0.465 100 D N 0.653 121.067 120.400 0.023 0.000 2.144 100 D HA -0.127 4.492 4.640 -0.035 0.000 0.199 100 D C 2.090 178.409 176.300 0.032 0.000 0.984 100 D CA 0.649 54.663 54.000 0.024 0.000 0.834 100 D CB -0.727 40.086 40.800 0.022 0.000 0.955 100 D HN 0.141 nan 8.370 nan 0.000 0.465 101 V N 0.824 120.756 119.914 0.031 0.000 2.295 101 V HA -0.230 3.869 4.120 -0.035 0.000 0.246 101 V C 2.955 179.065 176.094 0.027 0.000 1.049 101 V CA 1.419 63.725 62.300 0.011 0.000 1.024 101 V CB -0.626 31.174 31.823 -0.039 0.000 0.648 101 V HN 0.119 nan 8.190 nan 0.000 0.447 102 V N 0.545 120.466 119.914 0.012 0.000 2.252 102 V HA -0.318 3.781 4.120 -0.035 0.000 0.249 102 V C 2.332 178.480 176.094 0.090 0.000 1.056 102 V CA 2.462 64.775 62.300 0.022 0.000 1.022 102 V CB -0.781 31.037 31.823 -0.008 0.000 0.641 102 V HN 0.556 nan 8.190 nan 0.000 0.445 103 D N -0.364 120.070 120.400 0.057 0.000 2.144 103 D HA -0.117 4.502 4.640 -0.035 0.000 0.200 103 D C 2.293 178.634 176.300 0.069 0.000 0.978 103 D CA 1.761 55.789 54.000 0.047 0.000 0.833 103 D CB -0.448 40.365 40.800 0.021 0.000 0.961 103 D HN 0.428 nan 8.370 nan 0.000 0.470 104 T N 0.344 114.948 114.554 0.083 0.000 2.777 104 T HA -0.129 4.200 4.350 -0.035 0.000 0.266 104 T C 1.711 176.489 174.700 0.131 0.000 1.040 104 T CA 0.500 62.645 62.100 0.075 0.000 1.141 104 T CB -0.425 68.478 68.868 0.058 0.000 0.868 104 T HN 0.116 nan 8.240 nan 0.000 0.444 105 F N 1.509 121.503 119.950 0.074 0.000 2.171 105 F HA -0.084 4.425 4.527 -0.030 0.000 0.300 105 F C 2.141 178.103 175.800 0.269 0.000 1.090 105 F CA 0.712 58.833 58.000 0.201 0.000 1.293 105 F CB -0.293 38.792 39.000 0.141 0.000 1.013 105 F HN -0.094 nan 8.300 nan 0.000 0.486 106 V N 0.086 120.176 119.914 0.293 0.000 2.346 106 V HA -0.241 3.858 4.120 -0.035 0.000 0.244 106 V C 2.298 178.443 176.094 0.084 0.000 1.037 106 V CA 2.017 64.414 62.300 0.161 0.000 1.029 106 V CB -0.596 31.200 31.823 -0.046 0.000 0.663 106 V HN 0.356 nan 8.190 nan 0.000 0.454 107 E N 0.207 120.430 120.200 0.039 0.000 2.035 107 E HA -0.312 4.018 4.350 -0.035 0.000 0.204 107 E C 2.494 179.098 176.600 0.006 0.000 1.025 107 E CA 1.819 58.226 56.400 0.012 0.000 0.835 107 E CB -0.078 29.619 29.700 -0.006 0.000 0.764 107 E HN 0.282 nan 8.360 nan 0.000 0.457 108 R N -0.084 120.393 120.500 -0.038 0.000 2.105 108 R HA -0.127 4.192 4.340 -0.035 0.000 0.239 108 R C 2.178 178.488 176.300 0.017 0.000 1.135 108 R CA 1.291 57.318 56.100 -0.122 0.000 0.967 108 R CB -1.229 28.856 30.300 -0.358 0.000 0.861 108 R HN 0.357 nan 8.270 nan 0.000 0.442 109 A N 0.245 123.142 122.820 0.129 0.000 1.930 109 A HA -0.078 4.221 4.320 -0.035 0.000 0.217 109 A C 2.470 180.119 177.584 0.109 0.000 1.175 109 A CA 1.394 53.529 52.037 0.165 0.000 0.627 109 A CB -0.393 18.782 19.000 0.292 0.000 0.815 109 A HN 0.117 nan 8.150 nan 0.000 0.443 110 V N 0.247 120.277 119.914 0.193 0.000 2.453 110 V HA -0.164 3.935 4.120 -0.035 0.000 0.247 110 V C 2.411 178.528 176.094 0.039 0.000 1.048 110 V CA 1.850 64.246 62.300 0.159 0.000 1.049 110 V CB -0.431 31.486 31.823 0.157 0.000 0.672 110 V HN 0.448 nan 8.190 nan 0.000 0.457 111 K N 0.204 120.610 120.400 0.009 0.000 2.057 111 K HA -0.082 4.217 4.320 -0.035 0.000 0.206 111 K C 1.749 178.321 176.600 -0.046 0.000 1.050 111 K CA 1.032 57.303 56.287 -0.026 0.000 0.935 111 K CB -0.564 31.905 32.500 -0.050 0.000 0.715 111 K HN 0.406 nan 8.250 nan 0.000 0.439 112 N N 0.046 118.713 118.700 -0.055 0.000 2.550 112 N HA -0.064 4.656 4.740 -0.035 0.000 0.186 112 N C 0.857 176.289 175.510 -0.130 0.000 1.110 112 N CA 1.131 54.136 53.050 -0.075 0.000 0.912 112 N CB 0.613 39.088 38.487 -0.020 0.000 0.968 112 N HN 0.474 nan 8.380 nan 0.000 0.448 113 G N 0.303 109.030 108.800 -0.122 0.000 2.161 113 G HA2 -0.156 3.783 3.960 -0.035 0.000 0.140 113 G HA3 -0.156 3.783 3.960 -0.035 0.000 0.140 113 G C -0.384 174.427 174.900 -0.148 0.000 1.040 113 G CA -0.382 44.644 45.100 -0.123 0.000 0.735 113 G HN 0.165 nan 8.290 nan 0.000 0.496 114 M N 1.679 121.196 119.600 -0.139 0.000 2.209 114 M HA 0.621 5.080 4.480 -0.035 0.000 0.355 114 M C 0.562 176.849 176.300 -0.021 0.000 1.171 114 M CA -0.625 54.568 55.300 -0.179 0.000 1.069 114 M CB 0.929 33.326 32.600 -0.339 0.000 1.622 114 M HN 0.041 nan 8.290 nan 0.000 0.459 115 D N 2.979 123.328 120.400 -0.084 0.000 2.735 115 D HA 0.160 4.779 4.640 -0.035 0.000 0.267 115 D C -0.205 176.169 176.300 0.123 0.000 1.081 115 D CA 0.880 54.890 54.000 0.016 0.000 0.980 115 D CB 0.159 40.907 40.800 -0.087 0.000 1.129 115 D HN 0.421 nan 8.370 nan 0.000 0.459 116 V N 1.122 121.019 119.914 -0.027 0.000 2.483 116 V HA 0.405 4.504 4.120 -0.035 0.000 0.295 116 V C -0.922 175.176 176.094 0.007 0.000 1.035 116 V CA -0.666 61.682 62.300 0.080 0.000 0.896 116 V CB 1.640 33.396 31.823 -0.112 0.000 0.986 116 V HN -0.054 nan 8.190 nan 0.000 0.447 117 F N 3.139 123.197 119.950 0.180 0.000 2.496 117 F HA 0.534 5.039 4.527 -0.037 0.000 0.341 117 F C 0.276 176.184 175.800 0.180 0.000 1.134 117 F CA -0.525 57.584 58.000 0.182 0.000 0.968 117 F CB 1.671 40.781 39.000 0.182 0.000 1.205 117 F HN 0.362 nan 8.300 nan 0.000 0.436 118 R N 3.813 124.473 120.500 0.266 0.000 2.204 118 R HA 0.658 4.977 4.340 -0.035 0.000 0.341 118 R C -1.690 174.763 176.300 0.255 0.000 1.035 118 R CA -0.284 55.938 56.100 0.203 0.000 0.887 118 R CB 0.742 31.086 30.300 0.073 0.000 1.114 118 R HN 0.481 nan 8.270 nan 0.000 0.473 119 V N 6.986 127.050 119.914 0.250 0.000 2.384 119 V HA 0.451 4.550 4.120 -0.035 0.000 0.287 119 V C -0.401 175.836 176.094 0.238 0.000 1.020 119 V CA -0.615 61.816 62.300 0.217 0.000 0.850 119 V CB 0.812 32.727 31.823 0.154 0.000 0.987 119 V HN 0.662 nan 8.190 nan 0.000 0.436 120 F N 2.048 122.017 119.950 0.031 0.000 2.631 120 F HA 0.929 5.429 4.527 -0.045 0.000 0.328 120 F C -0.877 174.934 175.800 0.017 0.000 1.067 120 F CA -1.506 56.511 58.000 0.028 0.000 0.969 120 F CB 1.888 40.897 39.000 0.015 0.000 1.332 120 F HN 0.455 nan 8.300 nan 0.000 0.490 121 D N 0.491 120.930 120.400 0.065 0.000 2.896 121 D HA 0.563 5.182 4.640 -0.035 0.000 0.241 121 D C 0.331 176.744 176.300 0.187 0.000 1.188 121 D CA -0.316 53.658 54.000 -0.044 0.000 0.879 121 D CB 2.319 43.121 40.800 0.003 0.000 1.553 121 D HN 0.874 nan 8.370 nan 0.000 0.515 122 A N 3.526 126.444 122.820 0.164 0.000 2.070 122 A HA -0.099 4.200 4.320 -0.035 0.000 0.220 122 A C 1.716 179.401 177.584 0.168 0.000 1.159 122 A CA 1.135 53.310 52.037 0.231 0.000 0.656 122 A CB -0.372 18.732 19.000 0.172 0.000 0.800 122 A HN 0.730 nan 8.150 nan 0.000 0.453 123 M N -1.161 118.521 119.600 0.136 0.000 2.371 123 M HA 0.102 4.562 4.480 -0.035 0.000 0.246 123 M C -0.137 176.244 176.300 0.135 0.000 1.103 123 M CA -0.054 55.319 55.300 0.122 0.000 1.010 123 M CB 0.298 32.955 32.600 0.095 0.000 1.457 123 M HN 0.402 nan 8.290 nan 0.000 0.486 124 N N 1.592 120.388 118.700 0.159 0.000 2.725 124 N HA -0.178 4.541 4.740 -0.035 0.000 0.249 124 N C -0.454 175.120 175.510 0.107 0.000 1.103 124 N CA 0.896 54.044 53.050 0.163 0.000 0.707 124 N CB -1.401 37.212 38.487 0.211 0.000 1.043 124 N HN 0.441 nan 8.380 nan 0.000 0.553 125 D N 0.795 121.247 120.400 0.087 0.000 2.352 125 D HA 0.227 4.846 4.640 -0.035 0.000 0.245 125 D C 1.282 177.618 176.300 0.059 0.000 1.224 125 D CA -0.295 53.742 54.000 0.063 0.000 0.879 125 D CB 0.886 41.725 40.800 0.065 0.000 1.057 125 D HN -0.069 nan 8.370 nan 0.000 0.491 126 V N 5.336 125.283 119.914 0.055 0.000 2.688 126 V HA -0.233 3.866 4.120 -0.035 0.000 0.256 126 V C 2.396 178.511 176.094 0.036 0.000 1.084 126 V CA 1.547 63.879 62.300 0.053 0.000 1.103 126 V CB -0.464 31.391 31.823 0.054 0.000 0.688 126 V HN 0.548 nan 8.190 nan 0.000 0.480 127 R N 0.406 120.925 120.500 0.032 0.000 2.120 127 R HA -0.103 4.217 4.340 -0.035 0.000 0.234 127 R C 1.952 178.263 176.300 0.019 0.000 1.123 127 R CA 1.407 57.522 56.100 0.024 0.000 0.975 127 R CB -0.397 29.917 30.300 0.024 0.000 0.866 127 R HN 0.513 nan 8.270 nan 0.000 0.446 128 N N 0.229 118.942 118.700 0.021 0.000 2.512 128 N HA -0.063 4.657 4.740 -0.035 0.000 0.183 128 N C 1.320 176.793 175.510 -0.062 0.000 1.073 128 N CA 1.081 54.119 53.050 -0.019 0.000 0.911 128 N CB 0.143 38.619 38.487 -0.018 0.000 0.964 128 N HN 0.303 nan 8.380 nan 0.000 0.447 129 M N -0.525 119.062 119.600 -0.023 0.000 2.461 129 M HA 0.065 4.524 4.480 -0.035 0.000 0.255 129 M C 1.973 178.271 176.300 -0.003 0.000 1.137 129 M CA 0.169 55.460 55.300 -0.014 0.000 1.086 129 M CB 0.329 32.945 32.600 0.026 0.000 1.356 129 M HN 0.050 nan 8.290 nan 0.000 0.487 130 Q N 0.751 120.551 119.800 -0.001 0.000 1.993 130 Q HA -0.270 4.049 4.340 -0.035 0.000 0.202 130 Q C 2.002 177.999 176.000 -0.006 0.000 0.984 130 Q CA 1.924 57.729 55.803 0.003 0.000 0.837 130 Q CB 0.062 28.803 28.738 0.006 0.000 0.902 130 Q HN 0.320 nan 8.270 nan 0.000 0.423 131 Q N 0.097 119.889 119.800 -0.013 0.000 2.061 131 Q HA -0.158 4.161 4.340 -0.035 0.000 0.204 131 Q C 1.764 177.750 176.000 -0.023 0.000 0.984 131 Q CA 2.156 57.950 55.803 -0.016 0.000 0.846 131 Q CB -0.486 28.243 28.738 -0.015 0.000 0.902 131 Q HN 0.471 nan 8.270 nan 0.000 0.421 132 A N -0.149 122.655 122.820 -0.028 0.000 1.898 132 A HA -0.121 4.178 4.320 -0.035 0.000 0.216 132 A C 2.126 179.680 177.584 -0.050 0.000 1.181 132 A CA 1.357 53.376 52.037 -0.032 0.000 0.620 132 A CB -0.752 18.237 19.000 -0.018 0.000 0.819 132 A HN 0.445 nan 8.150 nan 0.000 0.442 133 L N -0.935 120.276 121.223 -0.020 0.000 2.017 133 L HA -0.271 4.049 4.340 -0.035 0.000 0.208 133 L C 2.908 179.757 176.870 -0.035 0.000 1.073 133 L CA 1.949 56.781 54.840 -0.012 0.000 0.745 133 L CB -0.577 41.493 42.059 0.018 0.000 0.894 133 L HN 0.589 nan 8.230 nan 0.000 0.432 134 Q N -0.102 119.682 119.800 -0.027 0.000 2.077 134 Q HA -0.283 4.036 4.340 -0.035 0.000 0.206 134 Q C 2.183 178.156 176.000 -0.046 0.000 0.989 134 Q CA 2.260 58.046 55.803 -0.028 0.000 0.853 134 Q CB -0.121 28.607 28.738 -0.018 0.000 0.907 134 Q HN 0.546 nan 8.270 nan 0.000 0.418 135 A N -0.502 122.281 122.820 -0.062 0.000 1.968 135 A HA -0.055 4.244 4.320 -0.035 0.000 0.217 135 A C 2.170 179.668 177.584 -0.143 0.000 1.169 135 A CA 1.074 53.063 52.037 -0.079 0.000 0.638 135 A CB -0.418 18.547 19.000 -0.058 0.000 0.812 135 A HN 0.303 nan 8.150 nan 0.000 0.446 136 V N 0.408 120.189 119.914 -0.221 0.000 2.332 136 V HA -0.292 3.807 4.120 -0.035 0.000 0.248 136 V C 2.422 178.431 176.094 -0.143 0.000 1.055 136 V CA 2.409 64.507 62.300 -0.337 0.000 1.038 136 V CB -0.634 30.958 31.823 -0.385 0.000 0.651 136 V HN 0.552 nan 8.190 nan 0.000 0.450 137 K N -0.140 120.212 120.400 -0.081 0.000 2.103 137 K HA -0.171 4.128 4.320 -0.035 0.000 0.204 137 K C 2.237 178.818 176.600 -0.031 0.000 1.052 137 K CA 1.204 57.468 56.287 -0.038 0.000 0.945 137 K CB -0.139 32.344 32.500 -0.028 0.000 0.722 137 K HN 0.297 nan 8.250 nan 0.000 0.443 138 K N 0.256 120.631 120.400 -0.042 0.000 2.155 138 K HA 0.023 4.322 4.320 -0.035 0.000 0.203 138 K C 1.394 177.978 176.600 -0.027 0.000 1.052 138 K CA 0.780 57.050 56.287 -0.029 0.000 0.948 138 K CB 0.278 32.760 32.500 -0.029 0.000 0.728 138 K HN -0.037 nan 8.250 nan 0.000 0.448 139 M N 0.047 119.622 119.600 -0.042 0.000 2.581 139 M HA 0.158 4.617 4.480 -0.035 0.000 0.224 139 M C 0.841 177.142 176.300 0.002 0.000 1.171 139 M CA 0.624 55.908 55.300 -0.026 0.000 0.993 139 M CB -0.132 32.441 32.600 -0.047 0.000 1.685 139 M HN 0.434 nan 8.290 nan 0.000 0.479 140 G N 0.483 109.286 108.800 0.006 0.000 2.196 140 G HA2 -0.270 3.669 3.960 -0.035 0.000 0.268 140 G HA3 -0.270 3.669 3.960 -0.035 0.000 0.268 140 G C 0.522 175.457 174.900 0.059 0.000 0.975 140 G CA 0.530 45.647 45.100 0.027 0.000 0.648 140 G HN 0.725 nan 8.290 nan 0.000 0.538 141 A N -0.736 122.125 122.820 0.069 0.000 2.249 141 A HA 0.671 4.970 4.320 -0.035 0.000 0.281 141 A C 0.192 177.892 177.584 0.193 0.000 1.127 141 A CA 0.413 52.547 52.037 0.163 0.000 0.833 141 A CB 0.368 19.515 19.000 0.245 0.000 1.140 141 A HN 1.151 nan 8.150 nan 0.000 0.502 142 H N -0.300 118.882 119.070 0.187 0.000 2.640 142 H HA 0.543 5.078 4.556 -0.036 0.000 0.297 142 H C 0.020 175.494 175.328 0.243 0.000 1.073 142 H CA -0.087 56.077 56.048 0.192 0.000 1.305 142 H CB 0.540 30.412 29.762 0.182 0.000 1.404 142 H HN 0.732 nan 8.280 nan 0.000 0.459 143 A N 5.255 128.141 122.820 0.110 0.000 2.302 143 A HA 0.161 4.460 4.320 -0.035 0.000 0.295 143 A C -0.184 177.525 177.584 0.208 0.000 1.235 143 A CA -0.572 51.569 52.037 0.172 0.000 0.876 143 A CB 0.319 19.351 19.000 0.053 0.000 1.133 143 A HN 0.866 nan 8.150 nan 0.000 0.533 144 Q N 2.970 122.969 119.800 0.331 0.000 2.368 144 Q HA 0.501 4.820 4.340 -0.035 0.000 0.263 144 Q C 0.191 176.306 176.000 0.191 0.000 1.009 144 Q CA -0.414 55.554 55.803 0.275 0.000 0.818 144 Q CB 1.205 30.133 28.738 0.317 0.000 1.239 144 Q HN 0.840 nan 8.270 nan 0.000 0.464 145 G N 2.141 111.030 108.800 0.147 0.000 2.476 145 G HA2 0.480 4.419 3.960 -0.035 0.000 0.269 145 G HA3 0.480 4.419 3.960 -0.035 0.000 0.269 145 G C -0.696 174.286 174.900 0.136 0.000 1.195 145 G CA -0.123 45.056 45.100 0.132 0.000 0.843 145 G HN 0.560 nan 8.290 nan 0.000 0.545 146 T N 0.869 115.517 114.554 0.157 0.000 2.876 146 T HA 0.507 4.837 4.350 -0.035 0.000 0.289 146 T C -0.238 174.571 174.700 0.181 0.000 1.014 146 T CA -0.348 61.845 62.100 0.155 0.000 0.986 146 T CB 1.449 70.426 68.868 0.181 0.000 1.021 146 T HN 0.344 nan 8.240 nan 0.000 0.458 147 L N 1.600 122.919 121.223 0.160 0.000 2.287 147 L HA 0.482 4.801 4.340 -0.035 0.000 0.287 147 L C -0.341 176.634 176.870 0.175 0.000 1.022 147 L CA -0.879 54.102 54.840 0.234 0.000 0.814 147 L CB 1.043 43.234 42.059 0.219 0.000 1.217 147 L HN 0.628 nan 8.230 nan 0.000 0.420 148 C N 2.972 122.422 119.300 0.249 0.000 2.349 148 C HA 0.211 4.650 4.460 -0.035 0.000 0.348 148 C C 0.310 175.431 174.990 0.218 0.000 1.223 148 C CA -0.670 58.452 59.018 0.173 0.000 1.746 148 C CB -0.926 26.918 27.740 0.173 0.000 2.360 148 C HN 0.550 nan 8.230 nan 0.000 0.533 149 Y N 3.061 123.339 120.300 -0.037 0.000 2.497 149 Y HA 0.437 4.967 4.550 -0.033 0.000 0.334 149 Y C 0.759 176.678 175.900 0.032 0.000 1.199 149 Y CA 1.226 59.245 58.100 -0.135 0.000 1.425 149 Y CB 0.650 38.968 38.460 -0.237 0.000 1.291 149 Y HN 0.715 nan 8.280 nan 0.000 0.562 150 T N 3.299 117.514 114.554 -0.565 0.000 2.787 150 T HA 0.473 4.802 4.350 -0.035 0.000 0.297 150 T C -1.377 172.890 174.700 -0.722 0.000 1.221 150 T CA -0.577 61.197 62.100 -0.543 0.000 1.006 150 T CB 1.574 70.211 68.868 -0.385 0.000 1.328 150 T HN 0.623 nan 8.240 nan 0.000 0.509 151 T N 1.729 116.050 114.554 -0.389 0.000 2.861 151 T HA 0.775 5.104 4.350 -0.035 0.000 0.287 151 T C -1.284 173.335 174.700 -0.136 0.000 1.003 151 T CA -0.354 61.625 62.100 -0.201 0.000 0.977 151 T CB 1.125 69.948 68.868 -0.075 0.000 0.996 151 T HN 0.969 nan 8.240 nan 0.000 0.448 152 S N 3.149 118.794 115.700 -0.091 0.000 2.611 152 S HA 0.433 4.882 4.470 -0.035 0.000 0.270 152 S C -2.737 171.701 174.600 -0.271 0.000 1.131 152 S CA -0.997 57.080 58.200 -0.205 0.000 0.826 152 S CB 0.865 63.956 63.200 -0.181 0.000 1.095 152 S HN 0.338 nan 8.310 nan 0.000 0.461 153 P HA -0.010 nan 4.420 nan 0.000 0.223 153 P C 1.192 178.308 177.300 -0.307 0.000 1.144 153 P CA 1.508 64.380 63.100 -0.379 0.000 0.783 153 P CB -0.090 31.329 31.700 -0.469 0.000 0.771 154 V N -6.309 113.379 119.914 -0.377 0.000 3.380 154 V HA 0.283 4.383 4.120 -0.035 0.000 0.307 154 V C 0.019 175.866 176.094 -0.412 0.000 1.434 154 V CA -0.257 61.864 62.300 -0.298 0.000 1.075 154 V CB -1.169 30.518 31.823 -0.227 0.000 0.954 154 V HN -0.015 nan 8.190 nan 0.000 0.444 155 H N 2.963 121.868 119.070 -0.274 0.000 2.476 155 H HA 0.777 5.311 4.556 -0.038 0.000 0.328 155 H C -0.102 175.105 175.328 -0.200 0.000 1.073 155 H CA 0.236 56.065 56.048 -0.365 0.000 1.229 155 H CB 1.271 30.815 29.762 -0.363 0.000 1.432 155 H HN 0.749 nan 8.280 nan 0.000 0.477 156 N N 0.925 119.548 118.700 -0.128 0.000 3.344 156 N HA 0.153 4.872 4.740 -0.035 0.000 0.296 156 N C 0.064 175.680 175.510 0.177 0.000 1.571 156 N CA -0.927 52.168 53.050 0.075 0.000 0.844 156 N CB 0.859 39.356 38.487 0.016 0.000 1.718 156 N HN 0.343 nan 8.380 nan 0.000 0.589 157 L N -0.851 120.509 121.223 0.228 0.000 2.079 157 L HA -0.186 4.133 4.340 -0.035 0.000 0.210 157 L C 2.493 179.465 176.870 0.170 0.000 1.081 157 L CA 1.613 56.604 54.840 0.252 0.000 0.752 157 L CB -0.429 41.728 42.059 0.163 0.000 0.896 157 L HN 0.706 nan 8.230 nan 0.000 0.433 158 Q N 0.266 120.112 119.800 0.076 0.000 2.046 158 Q HA -0.208 4.111 4.340 -0.035 0.000 0.200 158 Q C 2.164 178.164 176.000 -0.001 0.000 0.975 158 Q CA 2.654 58.477 55.803 0.033 0.000 0.836 158 Q CB -0.290 28.449 28.738 0.002 0.000 0.896 158 Q HN 0.620 nan 8.270 nan 0.000 0.428 159 T N -2.310 112.187 114.554 -0.095 0.000 2.684 159 T HA -0.180 4.149 4.350 -0.035 0.000 0.267 159 T C 1.705 176.324 174.700 -0.135 0.000 1.036 159 T CA 1.469 63.446 62.100 -0.206 0.000 1.148 159 T CB -1.065 67.549 68.868 -0.424 0.000 0.863 159 T HN 0.491 nan 8.240 nan 0.000 0.436 160 W N 1.043 122.384 121.300 0.068 0.000 2.338 160 W HA -0.013 4.623 4.660 -0.040 0.000 0.304 160 W C 2.722 179.282 176.519 0.067 0.000 1.212 160 W CA 0.339 57.736 57.345 0.087 0.000 1.264 160 W CB -0.634 28.891 29.460 0.108 0.000 1.142 160 W HN 0.075 nan 8.180 nan 0.000 0.512 161 V N 0.531 120.609 119.914 0.273 0.000 2.343 161 V HA -0.300 3.799 4.120 -0.035 0.000 0.247 161 V C 1.696 177.862 176.094 0.121 0.000 1.051 161 V CA 2.124 64.526 62.300 0.171 0.000 1.036 161 V CB -0.811 31.086 31.823 0.123 0.000 0.654 161 V HN 0.109 nan 8.190 nan 0.000 0.451 162 D N -0.149 120.302 120.400 0.085 0.000 2.178 162 D HA -0.092 4.527 4.640 -0.035 0.000 0.202 162 D C 2.129 178.468 176.300 0.064 0.000 0.974 162 D CA 1.010 55.041 54.000 0.053 0.000 0.841 162 D CB -0.133 40.676 40.800 0.016 0.000 0.953 162 D HN 0.349 nan 8.370 nan 0.000 0.478 163 V N 1.467 121.435 119.914 0.091 0.000 2.307 163 V HA -0.192 3.907 4.120 -0.035 0.000 0.245 163 V C 2.593 178.766 176.094 0.132 0.000 1.045 163 V CA 1.701 64.069 62.300 0.114 0.000 1.024 163 V CB -0.868 31.060 31.823 0.176 0.000 0.651 163 V HN 0.160 nan 8.190 nan 0.000 0.449 164 A N -0.861 122.056 122.820 0.163 0.000 1.908 164 A HA -0.277 4.022 4.320 -0.035 0.000 0.218 164 A C 2.226 179.868 177.584 0.097 0.000 1.181 164 A CA 1.844 53.964 52.037 0.138 0.000 0.627 164 A CB -0.566 18.521 19.000 0.146 0.000 0.818 164 A HN 0.483 nan 8.150 nan 0.000 0.445 165 Q N -0.335 119.516 119.800 0.085 0.000 2.061 165 Q HA -0.227 4.092 4.340 -0.035 0.000 0.204 165 Q C 2.236 178.268 176.000 0.053 0.000 0.984 165 Q CA 2.023 57.863 55.803 0.062 0.000 0.846 165 Q CB -0.481 28.288 28.738 0.052 0.000 0.902 165 Q HN 0.830 nan 8.270 nan 0.000 0.421 166 Q N -0.247 119.585 119.800 0.055 0.000 2.096 166 Q HA -0.138 4.181 4.340 -0.035 0.000 0.204 166 Q C 2.277 178.307 176.000 0.049 0.000 0.982 166 Q CA 1.116 56.947 55.803 0.046 0.000 0.850 166 Q CB -0.095 28.670 28.738 0.046 0.000 0.901 166 Q HN 0.346 nan 8.270 nan 0.000 0.422 167 L N -0.235 121.026 121.223 0.063 0.000 2.027 167 L HA -0.142 4.177 4.340 -0.035 0.000 0.206 167 L C 2.520 179.421 176.870 0.052 0.000 1.074 167 L CA 0.828 55.706 54.840 0.063 0.000 0.745 167 L CB -0.628 41.480 42.059 0.082 0.000 0.898 167 L HN 0.210 nan 8.230 nan 0.000 0.433 168 A N -0.054 122.798 122.820 0.052 0.000 1.986 168 A HA -0.249 4.051 4.320 -0.035 0.000 0.220 168 A C 2.114 179.718 177.584 0.032 0.000 1.171 168 A CA 1.808 53.870 52.037 0.042 0.000 0.640 168 A CB -0.465 18.561 19.000 0.043 0.000 0.811 168 A HN 0.478 nan 8.150 nan 0.000 0.451 169 E N -0.556 119.663 120.200 0.032 0.000 2.274 169 E HA -0.014 4.315 4.350 -0.035 0.000 0.194 169 E C 1.407 178.020 176.600 0.021 0.000 0.996 169 E CA 0.441 56.856 56.400 0.025 0.000 0.840 169 E CB -0.153 29.562 29.700 0.025 0.000 0.772 169 E HN 0.628 nan 8.360 nan 0.000 0.491 170 L N -0.373 120.864 121.223 0.024 0.000 2.599 170 L HA 0.089 4.408 4.340 -0.035 0.000 0.230 170 L C 1.266 178.144 176.870 0.014 0.000 1.141 170 L CA 0.375 55.227 54.840 0.019 0.000 0.877 170 L CB -0.004 42.069 42.059 0.024 0.000 1.009 170 L HN 0.278 nan 8.230 nan 0.000 0.447 171 G N 0.535 109.343 108.800 0.014 0.000 2.136 171 G HA2 -0.265 3.674 3.960 -0.035 0.000 0.242 171 G HA3 -0.265 3.674 3.960 -0.035 0.000 0.242 171 G C 0.425 175.325 174.900 -0.000 0.000 0.989 171 G CA 0.214 45.318 45.100 0.007 0.000 0.682 171 G HN 0.252 nan 8.290 nan 0.000 0.522 172 V N -2.629 117.291 119.914 0.010 0.000 3.178 172 V HA 0.375 4.474 4.120 -0.035 0.000 0.306 172 V C 1.167 177.244 176.094 -0.027 0.000 1.107 172 V CA 0.879 63.181 62.300 0.004 0.000 1.195 172 V CB 0.957 32.805 31.823 0.040 0.000 0.993 172 V HN 0.133 nan 8.190 nan 0.000 0.493 173 D N 0.843 121.180 120.400 -0.105 0.000 2.301 173 D HA 0.131 4.750 4.640 -0.035 0.000 0.206 173 D C 0.860 177.124 176.300 -0.059 0.000 0.979 173 D CA 1.443 55.301 54.000 -0.236 0.000 0.874 173 D CB 0.790 41.087 40.800 -0.839 0.000 0.968 173 D HN 0.926 nan 8.370 nan 0.000 0.510 174 S N -0.765 114.980 115.700 0.074 0.000 2.643 174 S HA 0.568 5.017 4.470 -0.035 0.000 0.270 174 S C -0.975 173.708 174.600 0.138 0.000 1.166 174 S CA -0.911 57.382 58.200 0.155 0.000 0.815 174 S CB 1.774 65.135 63.200 0.268 0.000 1.139 174 S HN -0.023 nan 8.310 nan 0.000 0.472 175 I N 0.951 121.588 120.570 0.110 0.000 2.465 175 I HA 0.680 4.829 4.170 -0.035 0.000 0.291 175 I C -0.020 176.151 176.117 0.090 0.000 1.014 175 I CA -0.981 60.378 61.300 0.099 0.000 1.093 175 I CB 1.903 39.954 38.000 0.085 0.000 1.267 175 I HN 0.937 nan 8.210 nan 0.000 0.431 176 A N 6.252 129.117 122.820 0.075 0.000 2.305 176 A HA 0.726 5.025 4.320 -0.035 0.000 0.322 176 A C -1.038 176.562 177.584 0.028 0.000 1.187 176 A CA -0.444 51.615 52.037 0.036 0.000 0.825 176 A CB 1.158 20.141 19.000 -0.027 0.000 1.164 176 A HN 0.596 nan 8.150 nan 0.000 0.498 177 L N 2.050 123.277 121.223 0.007 0.000 2.294 177 L HA 0.546 4.865 4.340 -0.035 0.000 0.283 177 L C -0.153 176.707 176.870 -0.015 0.000 1.015 177 L CA -0.020 54.798 54.840 -0.036 0.000 0.831 177 L CB 0.934 42.933 42.059 -0.099 0.000 1.217 177 L HN 0.666 nan 8.230 nan 0.000 0.420 178 K N 3.264 123.661 120.400 -0.006 0.000 2.358 178 K HA 0.360 4.659 4.320 -0.035 0.000 0.260 178 K C -1.333 175.308 176.600 0.069 0.000 0.956 178 K CA -0.528 55.772 56.287 0.022 0.000 0.834 178 K CB 1.144 33.568 32.500 -0.126 0.000 1.102 178 K HN 0.593 nan 8.250 nan 0.000 0.431 179 D N 5.558 126.041 120.400 0.140 0.000 2.460 179 D HA 0.089 4.708 4.640 -0.035 0.000 0.268 179 D C 0.852 177.265 176.300 0.188 0.000 1.153 179 D CA -0.304 53.780 54.000 0.141 0.000 0.929 179 D CB 0.752 41.575 40.800 0.040 0.000 1.015 179 D HN 0.653 nan 8.370 nan 0.000 0.502 180 M N 2.395 122.053 119.600 0.097 0.000 2.202 180 M HA -0.134 4.325 4.480 -0.035 0.000 0.262 180 M C 1.385 177.580 176.300 -0.175 0.000 1.063 180 M CA 1.681 56.951 55.300 -0.049 0.000 1.097 180 M CB 0.245 32.777 32.600 -0.114 0.000 1.382 180 M HN 0.423 nan 8.290 nan 0.000 0.413 181 A N -0.662 122.134 122.820 -0.040 0.000 2.132 181 A HA 0.325 4.625 4.320 -0.035 0.000 0.213 181 A C 1.484 179.069 177.584 0.001 0.000 1.154 181 A CA 0.779 52.794 52.037 -0.037 0.000 0.753 181 A CB -0.584 18.418 19.000 0.004 0.000 0.826 181 A HN 0.747 nan 8.150 nan 0.000 0.469 182 G N 0.162 108.991 108.800 0.048 0.000 2.212 182 G HA2 -0.250 3.689 3.960 -0.035 0.000 0.255 182 G HA3 -0.250 3.689 3.960 -0.035 0.000 0.255 182 G C 0.554 175.468 174.900 0.023 0.000 1.062 182 G CA 0.464 45.589 45.100 0.041 0.000 0.815 182 G HN 1.244 nan 8.290 nan 0.000 0.497 183 I N -2.774 117.832 120.570 0.061 0.000 3.968 183 I HA 0.516 4.665 4.170 -0.035 0.000 0.328 183 I C 1.020 177.194 176.117 0.096 0.000 1.290 183 I CA -0.510 60.841 61.300 0.085 0.000 1.163 183 I CB 0.283 38.355 38.000 0.121 0.000 1.024 183 I HN 0.155 nan 8.210 nan 0.000 0.413 184 L N 4.139 125.352 121.223 -0.016 0.000 2.385 184 L HA 0.297 4.616 4.340 -0.035 0.000 0.281 184 L C 0.808 177.572 176.870 -0.176 0.000 1.106 184 L CA 0.290 54.977 54.840 -0.255 0.000 0.856 184 L CB 0.223 41.875 42.059 -0.677 0.000 1.186 184 L HN 0.391 nan 8.230 nan 0.000 0.453 185 T N 2.948 117.443 114.554 -0.100 0.000 2.860 185 T HA 0.336 4.665 4.350 -0.035 0.000 0.299 185 T C -1.764 172.843 174.700 -0.155 0.000 1.045 185 T CA -1.215 60.830 62.100 -0.092 0.000 1.071 185 T CB 0.840 69.697 68.868 -0.018 0.000 0.985 185 T HN 0.505 nan 8.240 nan 0.000 0.537 186 P HA -0.042 nan 4.420 nan 0.000 0.216 186 P C 0.858 177.963 177.300 -0.326 0.000 1.153 186 P CA 1.143 64.043 63.100 -0.334 0.000 0.848 186 P CB -0.134 31.272 31.700 -0.489 0.000 0.787 187 Y N -0.571 119.698 120.300 -0.051 0.000 2.337 187 Y HA 0.089 4.618 4.550 -0.035 0.000 0.293 187 Y C 2.527 178.405 175.900 -0.037 0.000 1.123 187 Y CA 0.595 58.673 58.100 -0.037 0.000 1.201 187 Y CB -1.533 36.915 38.460 -0.020 0.000 1.011 187 Y HN -0.113 nan 8.280 nan 0.000 0.545 188 A N 0.108 122.974 122.820 0.077 0.000 1.933 188 A HA -0.084 4.215 4.320 -0.035 0.000 0.218 188 A C 2.455 180.004 177.584 -0.058 0.000 1.175 188 A CA 1.653 53.711 52.037 0.034 0.000 0.628 188 A CB -1.064 17.969 19.000 0.054 0.000 0.814 188 A HN 0.366 nan 8.150 nan 0.000 0.444 189 A N -0.154 122.582 122.820 -0.140 0.000 1.902 189 A HA -0.176 4.123 4.320 -0.035 0.000 0.217 189 A C 2.023 179.542 177.584 -0.107 0.000 1.181 189 A CA 1.784 53.709 52.037 -0.187 0.000 0.623 189 A CB -0.552 18.315 19.000 -0.222 0.000 0.818 189 A HN 0.689 nan 8.150 nan 0.000 0.443 190 E N -0.214 119.954 120.200 -0.052 0.000 2.058 190 E HA -0.272 4.057 4.350 -0.035 0.000 0.194 190 E C 2.025 178.632 176.600 0.012 0.000 0.997 190 E CA 1.556 57.954 56.400 -0.003 0.000 0.801 190 E CB -0.188 29.562 29.700 0.084 0.000 0.746 190 E HN 0.760 nan 8.360 nan 0.000 0.450 191 E N -0.005 120.214 120.200 0.031 0.000 2.028 191 E HA -0.193 4.136 4.350 -0.035 0.000 0.190 191 E C 2.308 178.923 176.600 0.024 0.000 0.984 191 E CA 0.954 57.377 56.400 0.039 0.000 0.800 191 E CB -0.146 29.590 29.700 0.059 0.000 0.758 191 E HN 0.287 nan 8.360 nan 0.000 0.448 192 L N 0.778 122.001 121.223 0.001 0.000 2.042 192 L HA -0.164 4.156 4.340 -0.035 0.000 0.210 192 L C 2.233 179.083 176.870 -0.033 0.000 1.076 192 L CA 1.449 56.278 54.840 -0.019 0.000 0.749 192 L CB -0.447 41.550 42.059 -0.104 0.000 0.893 192 L HN 0.060 nan 8.230 nan 0.000 0.432 193 V N -1.036 118.845 119.914 -0.056 0.000 2.307 193 V HA -0.235 3.864 4.120 -0.035 0.000 0.245 193 V C 2.561 178.646 176.094 -0.015 0.000 1.045 193 V CA 1.745 64.016 62.300 -0.048 0.000 1.024 193 V CB -0.711 31.070 31.823 -0.071 0.000 0.651 193 V HN 0.506 nan 8.190 nan 0.000 0.449 194 S N -0.010 115.688 115.700 -0.004 0.000 2.359 194 S HA -0.250 4.199 4.470 -0.035 0.000 0.223 194 S C 2.097 176.711 174.600 0.023 0.000 1.039 194 S CA 2.206 60.413 58.200 0.013 0.000 1.042 194 S CB -0.535 62.677 63.200 0.020 0.000 0.915 194 S HN 0.694 nan 8.310 nan 0.000 0.439 195 T N 2.943 117.516 114.554 0.031 0.000 2.652 195 T HA -0.021 4.308 4.350 -0.035 0.000 0.267 195 T C 1.799 176.529 174.700 0.050 0.000 1.039 195 T CA 1.168 63.297 62.100 0.047 0.000 1.153 195 T CB -0.572 68.336 68.868 0.067 0.000 0.863 195 T HN 0.231 nan 8.240 nan 0.000 0.428 196 L N 0.550 121.801 121.223 0.047 0.000 2.079 196 L HA -0.120 4.199 4.340 -0.035 0.000 0.210 196 L C 2.535 179.426 176.870 0.036 0.000 1.081 196 L CA 1.112 55.981 54.840 0.049 0.000 0.752 196 L CB -0.447 41.634 42.059 0.037 0.000 0.896 196 L HN 0.154 nan 8.230 nan 0.000 0.433 197 K N 0.046 120.460 120.400 0.024 0.000 2.432 197 K HA -0.059 4.240 4.320 -0.035 0.000 0.196 197 K C 1.787 178.402 176.600 0.025 0.000 1.038 197 K CA 0.717 57.016 56.287 0.020 0.000 0.986 197 K CB 0.076 32.583 32.500 0.012 0.000 0.782 197 K HN 0.383 nan 8.250 nan 0.000 0.485 198 K N 0.201 120.619 120.400 0.029 0.000 2.166 198 K HA 0.036 4.336 4.320 -0.035 0.000 0.201 198 K C 1.932 178.551 176.600 0.032 0.000 1.052 198 K CA 0.524 56.829 56.287 0.029 0.000 0.969 198 K CB 0.356 32.875 32.500 0.030 0.000 0.761 198 K HN 0.001 nan 8.250 nan 0.000 0.459 199 Q N -0.017 119.806 119.800 0.039 0.000 2.349 199 Q HA 0.093 4.413 4.340 -0.035 0.000 0.209 199 Q C 0.156 176.181 176.000 0.042 0.000 0.920 199 Q CA 0.589 56.417 55.803 0.042 0.000 0.901 199 Q CB 0.995 29.765 28.738 0.053 0.000 1.021 199 Q HN -0.001 nan 8.270 nan 0.000 0.519 200 V N 1.852 121.792 119.914 0.043 0.000 2.495 200 V HA 0.178 4.277 4.120 -0.035 0.000 0.298 200 V C -0.521 175.594 176.094 0.036 0.000 1.031 200 V CA -0.823 61.503 62.300 0.044 0.000 0.871 200 V CB 1.809 33.665 31.823 0.055 0.000 0.988 200 V HN -0.026 nan 8.190 nan 0.000 0.432 201 D N 3.907 124.327 120.400 0.034 0.000 2.845 201 D HA 0.349 4.968 4.640 -0.035 0.000 0.235 201 D C -0.280 176.038 176.300 0.031 0.000 1.158 201 D CA 0.151 54.169 54.000 0.030 0.000 0.990 201 D CB 0.061 40.877 40.800 0.027 0.000 1.094 201 D HN 0.476 nan 8.370 nan 0.000 0.486 202 V N -1.675 118.258 119.914 0.033 0.000 2.962 202 V HA 0.542 4.642 4.120 -0.035 0.000 0.313 202 V C 0.204 176.315 176.094 0.028 0.000 1.099 202 V CA -1.283 61.038 62.300 0.036 0.000 0.971 202 V CB 1.814 33.664 31.823 0.045 0.000 1.028 202 V HN 0.013 nan 8.190 nan 0.000 0.430 203 E N 1.892 122.110 120.200 0.029 0.000 2.413 203 E HA 0.386 4.715 4.350 -0.035 0.000 0.263 203 E C -1.007 175.595 176.600 0.004 0.000 1.015 203 E CA -0.003 56.399 56.400 0.003 0.000 0.916 203 E CB 1.151 30.853 29.700 0.002 0.000 0.947 203 E HN 0.521 nan 8.360 nan 0.000 0.440 204 L N 2.701 123.905 121.223 -0.031 0.000 2.346 204 L HA 0.414 4.733 4.340 -0.035 0.000 0.274 204 L C -0.707 176.139 176.870 -0.039 0.000 1.007 204 L CA -0.592 54.238 54.840 -0.016 0.000 0.818 204 L CB 1.442 43.484 42.059 -0.028 0.000 1.284 204 L HN 0.628 nan 8.230 nan 0.000 0.424 205 H N 3.154 122.162 119.070 -0.105 0.000 3.108 205 H HA 0.385 4.921 4.556 -0.034 0.000 0.329 205 H C -1.436 173.843 175.328 -0.082 0.000 0.978 205 H CA -0.804 55.164 56.048 -0.133 0.000 1.413 205 H CB 1.769 31.441 29.762 -0.150 0.000 1.670 205 H HN 0.393 nan 8.280 nan 0.000 0.512 206 L N 4.776 126.077 121.223 0.129 0.000 2.307 206 L HA 0.356 4.675 4.340 -0.035 0.000 0.282 206 L C -1.069 175.866 176.870 0.109 0.000 1.051 206 L CA -0.275 54.599 54.840 0.057 0.000 0.804 206 L CB 0.861 42.886 42.059 -0.057 0.000 1.197 206 L HN 0.786 nan 8.230 nan 0.000 0.431 207 H N 3.886 122.936 119.070 -0.033 0.000 2.906 207 H HA 0.575 5.110 4.556 -0.035 0.000 0.324 207 H C -1.521 173.791 175.328 -0.027 0.000 0.973 207 H CA -0.414 55.611 56.048 -0.038 0.000 1.321 207 H CB 1.089 30.820 29.762 -0.051 0.000 1.535 207 H HN 0.779 nan 8.280 nan 0.000 0.518 208 C N 4.991 124.160 119.300 -0.217 0.000 2.547 208 C HA 0.361 4.800 4.460 -0.035 0.000 0.313 208 C C -0.538 174.334 174.990 -0.197 0.000 1.191 208 C CA -0.667 58.285 59.018 -0.110 0.000 1.474 208 C CB 1.168 28.833 27.740 -0.125 0.000 2.081 208 C HN 0.854 nan 8.230 nan 0.000 0.476 209 H N 1.002 119.997 119.070 -0.125 0.000 2.483 209 H HA 0.209 4.747 4.556 -0.029 0.000 0.338 209 H C 0.539 175.775 175.328 -0.153 0.000 1.152 209 H CA -0.021 55.916 56.048 -0.185 0.000 1.264 209 H CB 1.767 31.445 29.762 -0.140 0.000 1.510 209 H HN 0.632 nan 8.280 nan 0.000 0.530 210 S N 1.233 116.882 115.700 -0.086 0.000 2.593 210 S HA -0.060 4.389 4.470 -0.035 0.000 0.217 210 S C 1.686 176.240 174.600 -0.076 0.000 0.966 210 S CA 0.176 58.324 58.200 -0.088 0.000 0.914 210 S CB 0.053 63.186 63.200 -0.110 0.000 0.776 210 S HN 0.612 nan 8.310 nan 0.000 0.523 211 T N 2.099 116.624 114.554 -0.048 0.000 2.778 211 T HA -0.101 4.228 4.350 -0.035 0.000 0.269 211 T C 1.667 176.314 174.700 -0.089 0.000 1.050 211 T CA 1.418 63.465 62.100 -0.088 0.000 1.137 211 T CB -0.184 68.659 68.868 -0.040 0.000 0.860 211 T HN 0.507 nan 8.240 nan 0.000 0.468 212 A N -0.169 122.618 122.820 -0.056 0.000 2.470 212 A HA 0.628 4.927 4.320 -0.035 0.000 0.251 212 A C 1.570 179.123 177.584 -0.051 0.000 1.245 212 A CA 0.413 52.421 52.037 -0.049 0.000 0.932 212 A CB -0.105 18.879 19.000 -0.027 0.000 1.037 212 A HN 0.738 nan 8.150 nan 0.000 0.522 213 G N -0.788 107.975 108.800 -0.062 0.000 2.142 213 G HA2 -0.195 3.744 3.960 -0.035 0.000 0.225 213 G HA3 -0.195 3.744 3.960 -0.035 0.000 0.225 213 G C 0.479 175.340 174.900 -0.065 0.000 1.015 213 G CA 0.409 45.471 45.100 -0.063 0.000 0.716 213 G HN 0.478 nan 8.290 nan 0.000 0.508 214 L N -1.007 120.174 121.223 -0.070 0.000 2.749 214 L HA 0.381 4.701 4.340 -0.035 0.000 0.242 214 L C 2.784 179.592 176.870 -0.104 0.000 1.103 214 L CA 0.882 55.671 54.840 -0.084 0.000 0.906 214 L CB -0.220 41.793 42.059 -0.077 0.000 1.228 214 L HN 0.287 nan 8.230 nan 0.000 0.517 215 A N 0.501 123.263 122.820 -0.096 0.000 1.930 215 A HA -0.188 4.111 4.320 -0.035 0.000 0.217 215 A C 1.731 179.246 177.584 -0.114 0.000 1.175 215 A CA 1.836 53.807 52.037 -0.110 0.000 0.627 215 A CB -0.291 18.644 19.000 -0.109 0.000 0.815 215 A HN 0.299 nan 8.150 nan 0.000 0.443 216 D N -0.192 120.148 120.400 -0.100 0.000 2.084 216 D HA -0.126 4.493 4.640 -0.035 0.000 0.196 216 D C 2.040 178.272 176.300 -0.113 0.000 0.985 216 D CA 1.434 55.377 54.000 -0.096 0.000 0.826 216 D CB -0.451 40.304 40.800 -0.076 0.000 0.978 216 D HN 0.457 nan 8.370 nan 0.000 0.456 217 M N 0.376 119.903 119.600 -0.121 0.000 2.108 217 M HA -0.144 4.315 4.480 -0.035 0.000 0.261 217 M C 2.220 178.408 176.300 -0.188 0.000 1.066 217 M CA 1.334 56.543 55.300 -0.152 0.000 1.107 217 M CB -0.479 32.023 32.600 -0.164 0.000 1.356 217 M HN -0.027 nan 8.290 nan 0.000 0.406 218 T N 1.189 115.633 114.554 -0.183 0.000 2.652 218 T HA -0.152 4.177 4.350 -0.035 0.000 0.267 218 T C 1.693 176.282 174.700 -0.185 0.000 1.039 218 T CA 1.367 63.349 62.100 -0.196 0.000 1.153 218 T CB -0.302 68.454 68.868 -0.187 0.000 0.863 218 T HN 0.142 nan 8.240 nan 0.000 0.428 219 L N 0.450 121.575 121.223 -0.163 0.000 2.083 219 L HA -0.001 4.318 4.340 -0.035 0.000 0.209 219 L C 2.251 179.015 176.870 -0.177 0.000 1.083 219 L CA 1.153 55.896 54.840 -0.160 0.000 0.752 219 L CB -1.014 40.961 42.059 -0.140 0.000 0.899 219 L HN 0.209 nan 8.230 nan 0.000 0.433 220 L N -0.775 120.346 121.223 -0.171 0.000 2.027 220 L HA -0.147 4.172 4.340 -0.035 0.000 0.206 220 L C 2.398 179.152 176.870 -0.194 0.000 1.074 220 L CA 1.732 56.463 54.840 -0.181 0.000 0.745 220 L CB -0.601 41.373 42.059 -0.142 0.000 0.898 220 L HN 0.085 nan 8.230 nan 0.000 0.433 221 K N 0.098 120.386 120.400 -0.186 0.000 2.147 221 K HA -0.001 4.298 4.320 -0.035 0.000 0.205 221 K C 2.086 178.596 176.600 -0.150 0.000 1.049 221 K CA 1.266 57.453 56.287 -0.167 0.000 0.936 221 K CB -0.806 31.564 32.500 -0.216 0.000 0.722 221 K HN 0.481 nan 8.250 nan 0.000 0.446 222 A N 1.123 123.841 122.820 -0.170 0.000 1.929 222 A HA -0.054 4.245 4.320 -0.035 0.000 0.216 222 A C 2.268 179.743 177.584 -0.183 0.000 1.176 222 A CA 0.882 52.824 52.037 -0.158 0.000 0.628 222 A CB -0.433 18.470 19.000 -0.161 0.000 0.816 222 A HN 0.170 nan 8.150 nan 0.000 0.444 223 I N -0.263 120.154 120.570 -0.254 0.000 2.226 223 I HA -0.250 3.899 4.170 -0.035 0.000 0.245 223 I C 2.384 178.222 176.117 -0.465 0.000 1.100 223 I CA 1.502 62.564 61.300 -0.396 0.000 1.374 223 I CB -0.373 37.316 38.000 -0.517 0.000 1.057 223 I HN 0.426 nan 8.210 nan 0.000 0.413 224 E N 0.805 120.802 120.200 -0.339 0.000 2.204 224 E HA -0.164 4.165 4.350 -0.035 0.000 0.195 224 E C 2.000 178.595 176.600 -0.008 0.000 0.990 224 E CA 1.099 57.423 56.400 -0.126 0.000 0.821 224 E CB -0.125 29.549 29.700 -0.044 0.000 0.750 224 E HN 0.492 nan 8.360 nan 0.000 0.477 225 A N 0.218 123.011 122.820 -0.044 0.000 2.238 225 A HA 0.273 4.572 4.320 -0.035 0.000 0.208 225 A C 1.598 179.176 177.584 -0.010 0.000 1.177 225 A CA 0.760 52.789 52.037 -0.013 0.000 0.804 225 A CB -0.125 18.860 19.000 -0.026 0.000 0.823 225 A HN 0.319 nan 8.150 nan 0.000 0.482 226 G N -1.585 107.204 108.800 -0.019 0.000 2.144 226 G HA2 -0.152 3.787 3.960 -0.035 0.000 0.218 226 G HA3 -0.152 3.787 3.960 -0.035 0.000 0.218 226 G C 0.285 175.163 174.900 -0.037 0.000 0.988 226 G CA 0.015 45.120 45.100 0.007 0.000 0.659 226 G HN 0.938 nan 8.290 nan 0.000 0.522 227 V N 1.334 121.197 119.914 -0.085 0.000 2.644 227 V HA 0.094 4.194 4.120 -0.035 0.000 0.305 227 V C 1.512 177.529 176.094 -0.129 0.000 1.053 227 V CA 1.247 63.482 62.300 -0.109 0.000 1.186 227 V CB 0.683 32.426 31.823 -0.133 0.000 0.895 227 V HN 0.411 nan 8.190 nan 0.000 0.490 228 D N 5.864 126.176 120.400 -0.148 0.000 2.224 228 D HA 0.038 4.657 4.640 -0.035 0.000 0.205 228 D C 0.740 176.859 176.300 -0.302 0.000 0.965 228 D CA 1.057 54.945 54.000 -0.186 0.000 0.852 228 D CB 0.384 41.068 40.800 -0.193 0.000 0.947 228 D HN 0.546 nan 8.370 nan 0.000 0.494 229 R N -0.496 119.764 120.500 -0.400 0.000 2.710 229 R HA 0.477 4.796 4.340 -0.035 0.000 0.270 229 R C -1.080 174.924 176.300 -0.493 0.000 1.021 229 R CA -0.718 55.011 56.100 -0.618 0.000 0.889 229 R CB 2.847 32.344 30.300 -1.338 0.000 1.243 229 R HN -0.130 nan 8.270 nan 0.000 0.464 230 V N -1.951 117.739 119.914 -0.373 0.000 3.078 230 V HA 0.616 4.715 4.120 -0.035 0.000 0.311 230 V C -1.207 174.877 176.094 -0.016 0.000 1.138 230 V CA -1.034 61.182 62.300 -0.138 0.000 1.007 230 V CB 2.463 34.209 31.823 -0.129 0.000 1.045 230 V HN 0.553 nan 8.190 nan 0.000 0.432 231 D N 2.088 122.505 120.400 0.027 0.000 2.168 231 D HA 0.761 5.380 4.640 -0.035 0.000 0.246 231 D C 0.102 176.311 176.300 -0.151 0.000 1.050 231 D CA 0.248 54.227 54.000 -0.035 0.000 0.857 231 D CB 1.972 42.718 40.800 -0.089 0.000 1.169 231 D HN 1.125 nan 8.370 nan 0.000 0.453 232 T N -1.739 112.720 114.554 -0.159 0.000 2.896 232 T HA 0.844 5.173 4.350 -0.035 0.000 0.297 232 T C -0.665 173.921 174.700 -0.190 0.000 1.108 232 T CA -1.038 60.977 62.100 -0.140 0.000 1.004 232 T CB 1.780 70.615 68.868 -0.056 0.000 1.159 232 T HN 0.267 nan 8.240 nan 0.000 0.499 233 A N 1.975 124.721 122.820 -0.123 0.000 2.340 233 A HA 0.710 5.009 4.320 -0.035 0.000 0.331 233 A C 0.306 177.856 177.584 -0.056 0.000 1.140 233 A CA -1.036 50.929 52.037 -0.118 0.000 0.801 233 A CB 0.396 19.366 19.000 -0.049 0.000 1.234 233 A HN 0.880 nan 8.150 nan 0.000 0.469 234 I N 2.364 122.890 120.570 -0.074 0.000 2.919 234 I HA -0.131 4.018 4.170 -0.035 0.000 0.303 234 I C 2.053 178.184 176.117 0.023 0.000 1.221 234 I CA 1.157 62.456 61.300 -0.002 0.000 1.444 234 I CB 0.373 38.350 38.000 -0.038 0.000 1.331 234 I HN 1.008 nan 8.210 nan 0.000 0.572 235 S N 4.678 120.413 115.700 0.059 0.000 2.378 235 S HA -0.264 4.185 4.470 -0.035 0.000 0.229 235 S C 1.781 176.423 174.600 0.070 0.000 1.052 235 S CA 1.712 59.947 58.200 0.057 0.000 1.084 235 S CB -0.822 62.416 63.200 0.062 0.000 0.950 235 S HN 0.806 nan 8.310 nan 0.000 0.440 236 S N 1.096 116.857 115.700 0.102 0.000 2.474 236 S HA 0.176 4.625 4.470 -0.035 0.000 0.235 236 S C 1.297 175.977 174.600 0.133 0.000 0.997 236 S CA 0.693 58.967 58.200 0.124 0.000 0.949 236 S CB -0.462 62.839 63.200 0.167 0.000 0.766 236 S HN 0.456 nan 8.310 nan 0.000 0.517 237 M N 2.558 122.214 119.600 0.094 0.000 2.771 237 M HA 0.341 4.800 4.480 -0.035 0.000 0.341 237 M C 0.125 176.466 176.300 0.068 0.000 1.226 237 M CA -0.044 55.309 55.300 0.088 0.000 0.955 237 M CB -0.369 32.206 32.600 -0.043 0.000 1.318 237 M HN 0.497 nan 8.290 nan 0.000 0.514 238 S N -1.315 114.427 115.700 0.068 0.000 2.810 238 S HA 0.967 5.416 4.470 -0.035 0.000 0.315 238 S C 0.305 174.927 174.600 0.037 0.000 1.138 238 S CA -0.093 58.135 58.200 0.047 0.000 0.889 238 S CB 2.175 65.391 63.200 0.026 0.000 1.236 238 S HN 0.603 nan 8.310 nan 0.000 0.548 239 G N 0.180 108.978 108.800 -0.004 0.000 2.757 239 G HA2 0.248 4.187 3.960 -0.035 0.000 0.638 239 G HA3 0.248 4.187 3.960 -0.035 0.000 0.638 239 G C 0.494 175.374 174.900 -0.032 0.000 1.344 239 G CA 0.424 45.511 45.100 -0.021 0.000 0.855 239 G HN 2.737 nan 8.290 nan 0.000 0.537 240 T N -2.356 112.152 114.554 -0.077 0.000 13.879 240 T HA -0.487 3.842 4.350 -0.035 0.000 0.418 240 T C 1.418 176.010 174.700 -0.180 0.000 1.442 240 T CA 3.494 65.486 62.100 -0.180 0.000 2.336 240 T CB -1.411 67.343 68.868 -0.191 0.000 2.768 240 T HN 1.920 nan 8.240 nan 0.000 0.395 241 Y N 3.116 123.405 120.300 -0.018 0.000 2.509 241 Y HA 0.357 4.885 4.550 -0.037 0.000 0.293 241 Y C 2.559 178.442 175.900 -0.028 0.000 1.133 241 Y CA 0.653 58.745 58.100 -0.013 0.000 1.283 241 Y CB -0.715 37.745 38.460 -0.001 0.000 1.001 241 Y HN 0.836 nan 8.280 nan 0.000 0.555 242 G N -1.331 107.458 108.800 -0.019 0.000 3.411 242 G HA2 0.351 4.290 3.960 -0.035 0.000 0.186 242 G HA3 0.351 4.290 3.960 -0.035 0.000 0.186 242 G C -0.982 173.450 174.900 -0.781 0.000 1.766 242 G CA -0.180 44.657 45.100 -0.440 0.000 0.971 242 G HN 0.288 nan 8.290 nan 0.000 0.590 243 H N -0.879 118.085 119.070 -0.177 0.000 2.977 243 H HA 0.481 5.016 4.556 -0.035 0.000 0.350 243 H C -2.634 172.596 175.328 -0.163 0.000 1.238 243 H CA -1.557 54.331 56.048 -0.266 0.000 1.124 243 H CB 1.621 31.174 29.762 -0.348 0.000 1.866 243 H HN 0.181 nan 8.280 nan 0.000 0.550 244 P HA 0.162 nan 4.420 nan 0.000 0.269 244 P C -0.797 176.488 177.300 -0.024 0.000 1.215 244 P CA -0.204 62.869 63.100 -0.045 0.000 0.780 244 P CB 0.502 32.162 31.700 -0.068 0.000 0.898 245 A N 2.389 125.200 122.820 -0.015 0.000 2.440 245 A HA 0.194 4.493 4.320 -0.035 0.000 0.251 245 A C 1.504 179.089 177.584 0.003 0.000 1.089 245 A CA 0.243 52.281 52.037 0.000 0.000 0.779 245 A CB -0.620 18.387 19.000 0.012 0.000 1.022 245 A HN 0.580 nan 8.150 nan 0.000 0.492 246 T N 2.034 116.600 114.554 0.019 0.000 2.652 246 T HA -0.163 4.166 4.350 -0.035 0.000 0.267 246 T C 1.608 176.336 174.700 0.047 0.000 1.039 246 T CA 2.341 64.470 62.100 0.048 0.000 1.153 246 T CB -0.328 68.605 68.868 0.107 0.000 0.863 246 T HN 0.815 nan 8.240 nan 0.000 0.428 247 E N 1.169 121.398 120.200 0.048 0.000 2.085 247 E HA -0.088 4.241 4.350 -0.035 0.000 0.194 247 E C 2.566 179.179 176.600 0.022 0.000 0.994 247 E CA 1.306 57.728 56.400 0.038 0.000 0.801 247 E CB -0.344 29.381 29.700 0.042 0.000 0.743 247 E HN 0.308 nan 8.360 nan 0.000 0.453 248 S N 0.298 116.007 115.700 0.015 0.000 2.368 248 S HA -0.118 4.331 4.470 -0.035 0.000 0.225 248 S C 1.835 176.432 174.600 -0.005 0.000 1.030 248 S CA 0.912 59.114 58.200 0.003 0.000 0.999 248 S CB -0.210 62.988 63.200 -0.004 0.000 0.844 248 S HN 0.163 nan 8.310 nan 0.000 0.459 249 L N 1.572 122.790 121.223 -0.009 0.000 2.240 249 L HA 0.091 4.410 4.340 -0.035 0.000 0.211 249 L C 1.972 178.839 176.870 -0.006 0.000 1.106 249 L CA 0.922 55.750 54.840 -0.021 0.000 0.793 249 L CB -0.287 41.749 42.059 -0.037 0.000 0.927 249 L HN 0.084 nan 8.230 nan 0.000 0.446 250 V N 0.020 119.939 119.914 0.008 0.000 2.261 250 V HA -0.275 3.824 4.120 -0.035 0.000 0.246 250 V C 2.794 178.896 176.094 0.013 0.000 1.047 250 V CA 1.632 63.940 62.300 0.014 0.000 1.015 250 V CB -1.496 30.338 31.823 0.018 0.000 0.642 250 V HN 0.551 nan 8.190 nan 0.000 0.446 251 A N -0.010 122.816 122.820 0.011 0.000 1.892 251 A HA -0.298 4.001 4.320 -0.035 0.000 0.218 251 A C 2.399 179.990 177.584 0.012 0.000 1.188 251 A CA 2.847 54.890 52.037 0.011 0.000 0.631 251 A CB -1.258 17.748 19.000 0.010 0.000 0.822 251 A HN 0.510 nan 8.150 nan 0.000 0.447 252 T N 0.367 114.925 114.554 0.007 0.000 2.665 252 T HA -0.128 4.202 4.350 -0.035 0.000 0.268 252 T C 1.557 176.273 174.700 0.028 0.000 1.035 252 T CA 1.661 63.766 62.100 0.008 0.000 1.151 252 T CB -0.366 68.496 68.868 -0.010 0.000 0.862 252 T HN 0.396 nan 8.240 nan 0.000 0.438 253 L N 0.431 121.674 121.223 0.034 0.000 2.591 253 L HA 0.173 4.492 4.340 -0.035 0.000 0.228 253 L C 1.031 177.940 176.870 0.065 0.000 1.133 253 L CA 0.071 54.957 54.840 0.076 0.000 0.880 253 L CB -0.315 41.793 42.059 0.082 0.000 1.033 253 L HN 0.255 nan 8.230 nan 0.000 0.450 254 Q N 0.562 120.384 119.800 0.037 0.000 2.337 254 Q HA 0.176 4.495 4.340 -0.035 0.000 0.270 254 Q C 1.120 177.132 176.000 0.021 0.000 1.002 254 Q CA 0.695 56.513 55.803 0.024 0.000 0.888 254 Q CB 0.813 29.560 28.738 0.015 0.000 1.222 254 Q HN 0.386 nan 8.270 nan 0.000 0.400 255 G N 2.082 110.889 108.800 0.012 0.000 2.179 255 G HA2 -0.303 3.636 3.960 -0.035 0.000 0.257 255 G HA3 -0.303 3.636 3.960 -0.035 0.000 0.257 255 G C 0.242 175.140 174.900 -0.003 0.000 1.010 255 G CA 0.723 45.824 45.100 0.002 0.000 0.736 255 G HN 0.715 nan 8.290 nan 0.000 0.513 256 T N -4.341 110.215 114.554 0.003 0.000 2.927 256 T HA 0.672 5.001 4.350 -0.035 0.000 0.286 256 T C 1.606 176.254 174.700 -0.086 0.000 1.040 256 T CA 0.350 62.435 62.100 -0.025 0.000 1.010 256 T CB 1.676 70.576 68.868 0.053 0.000 1.177 256 T HN 1.067 nan 8.240 nan 0.000 0.546 257 G N -0.841 107.820 108.800 -0.232 0.000 2.559 257 G HA2 -0.028 3.911 3.960 -0.035 0.000 0.216 257 G HA3 -0.028 3.911 3.960 -0.035 0.000 0.216 257 G C 0.628 175.370 174.900 -0.263 0.000 1.126 257 G CA 0.297 45.225 45.100 -0.287 0.000 0.778 257 G HN 0.761 nan 8.290 nan 0.000 0.543 258 Y N 0.138 120.427 120.300 -0.019 0.000 2.517 258 Y HA 0.166 4.696 4.550 -0.034 0.000 0.281 258 Y C 1.064 176.950 175.900 -0.023 0.000 1.125 258 Y CA -1.100 56.985 58.100 -0.025 0.000 1.283 258 Y CB -0.052 38.389 38.460 -0.030 0.000 1.042 258 Y HN 0.030 nan 8.280 nan 0.000 0.547 259 D N 1.537 122.000 120.400 0.105 0.000 4.368 259 D HA -0.143 4.476 4.640 -0.035 0.000 0.202 259 D C 1.483 177.810 176.300 0.046 0.000 1.209 259 D CA 1.122 55.158 54.000 0.059 0.000 0.766 259 D CB 0.629 41.443 40.800 0.024 0.000 1.226 259 D HN 0.492 nan 8.370 nan 0.000 0.663 260 T N 1.468 116.046 114.554 0.041 0.000 2.881 260 T HA -0.032 4.297 4.350 -0.035 0.000 0.270 260 T C 1.645 176.353 174.700 0.014 0.000 1.068 260 T CA 1.109 63.227 62.100 0.028 0.000 1.131 260 T CB -0.204 68.678 68.868 0.024 0.000 0.871 260 T HN 0.740 nan 8.240 nan 0.000 0.479 261 G N 1.067 109.871 108.800 0.007 0.000 2.143 261 G HA2 -0.199 3.740 3.960 -0.035 0.000 0.248 261 G HA3 -0.199 3.740 3.960 -0.035 0.000 0.248 261 G C -0.034 174.851 174.900 -0.024 0.000 0.991 261 G CA 0.277 45.373 45.100 -0.005 0.000 0.689 261 G HN 0.668 nan 8.290 nan 0.000 0.522 262 L N -0.156 121.049 121.223 -0.030 0.000 2.439 262 L HA 0.521 4.840 4.340 -0.035 0.000 0.261 262 L C 0.288 177.132 176.870 -0.044 0.000 1.153 262 L CA -0.491 54.311 54.840 -0.064 0.000 0.808 262 L CB 0.976 42.985 42.059 -0.082 0.000 1.126 262 L HN 0.194 nan 8.230 nan 0.000 0.460 263 D N 0.507 120.875 120.400 -0.054 0.000 2.427 263 D HA 0.282 4.901 4.640 -0.035 0.000 0.226 263 D C 1.102 177.393 176.300 -0.015 0.000 1.076 263 D CA -0.375 53.607 54.000 -0.029 0.000 0.849 263 D CB 0.897 41.679 40.800 -0.030 0.000 1.052 263 D HN 0.352 nan 8.370 nan 0.000 0.515 264 I N 2.896 123.464 120.570 -0.002 0.000 2.185 264 I HA -0.322 3.827 4.170 -0.035 0.000 0.246 264 I C 2.266 178.393 176.117 0.018 0.000 1.088 264 I CA 1.368 62.675 61.300 0.012 0.000 1.347 264 I CB -0.257 37.751 38.000 0.014 0.000 1.041 264 I HN 0.510 nan 8.210 nan 0.000 0.415 265 A N 0.789 123.617 122.820 0.013 0.000 1.877 265 A HA -0.224 4.075 4.320 -0.035 0.000 0.216 265 A C 2.309 179.904 177.584 0.020 0.000 1.186 265 A CA 1.743 53.790 52.037 0.017 0.000 0.620 265 A CB -0.466 18.540 19.000 0.011 0.000 0.822 265 A HN 0.327 nan 8.150 nan 0.000 0.443 266 K N -0.593 119.812 120.400 0.008 0.000 2.211 266 K HA 0.062 4.362 4.320 -0.035 0.000 0.203 266 K C 1.718 178.333 176.600 0.025 0.000 1.050 266 K CA 0.931 57.222 56.287 0.007 0.000 0.945 266 K CB -0.228 32.261 32.500 -0.017 0.000 0.732 266 K HN 0.459 nan 8.250 nan 0.000 0.451 267 L N 0.470 121.711 121.223 0.029 0.000 2.127 267 L HA -0.084 4.236 4.340 -0.035 0.000 0.203 267 L C 2.583 179.511 176.870 0.097 0.000 1.080 267 L CA 0.725 55.603 54.840 0.064 0.000 0.768 267 L CB -0.200 41.891 42.059 0.053 0.000 0.924 267 L HN 0.183 nan 8.230 nan 0.000 0.444 268 E N 0.543 120.788 120.200 0.075 0.000 2.153 268 E HA -0.257 4.072 4.350 -0.035 0.000 0.194 268 E C 1.971 178.631 176.600 0.099 0.000 0.988 268 E CA 1.443 57.893 56.400 0.083 0.000 0.811 268 E CB 0.055 29.790 29.700 0.058 0.000 0.746 268 E HN 0.546 nan 8.360 nan 0.000 0.466 269 Q N -0.145 119.706 119.800 0.085 0.000 2.084 269 Q HA -0.125 4.194 4.340 -0.035 0.000 0.202 269 Q C 2.454 178.537 176.000 0.138 0.000 0.978 269 Q CA 1.504 57.361 55.803 0.091 0.000 0.844 269 Q CB -0.084 28.689 28.738 0.058 0.000 0.898 269 Q HN 0.366 nan 8.270 nan 0.000 0.426 270 I N 0.337 121.005 120.570 0.164 0.000 2.353 270 I HA -0.221 3.928 4.170 -0.035 0.000 0.248 270 I C 2.374 178.734 176.117 0.406 0.000 1.119 270 I CA 0.753 62.208 61.300 0.258 0.000 1.417 270 I CB -0.311 37.851 38.000 0.270 0.000 1.078 270 I HN 0.136 nan 8.210 nan 0.000 0.421 271 A N 0.831 123.830 122.820 0.298 0.000 1.902 271 A HA -0.167 4.132 4.320 -0.035 0.000 0.217 271 A C 2.555 180.292 177.584 0.256 0.000 1.181 271 A CA 1.838 54.046 52.037 0.286 0.000 0.623 271 A CB -0.828 18.278 19.000 0.176 0.000 0.818 271 A HN 0.413 nan 8.150 nan 0.000 0.443 272 A N -1.286 121.648 122.820 0.190 0.000 1.877 272 A HA -0.151 4.148 4.320 -0.035 0.000 0.216 272 A C 2.142 179.806 177.584 0.134 0.000 1.186 272 A CA 1.728 53.847 52.037 0.136 0.000 0.620 272 A CB -0.963 18.099 19.000 0.104 0.000 0.822 272 A HN 0.777 nan 8.150 nan 0.000 0.443 273 Y N -0.686 119.631 120.300 0.030 0.000 2.114 273 Y HA -0.272 4.257 4.550 -0.035 0.000 0.282 273 Y C 1.895 177.735 175.900 -0.100 0.000 1.165 273 Y CA 2.283 60.336 58.100 -0.078 0.000 1.148 273 Y CB -0.447 37.903 38.460 -0.183 0.000 0.972 273 Y HN 0.266 nan 8.280 nan 0.000 0.504 274 F N 0.027 120.086 119.950 0.181 0.000 2.407 274 F HA -0.002 4.505 4.527 -0.034 0.000 0.299 274 F C 2.589 178.410 175.800 0.036 0.000 1.097 274 F CA 1.323 59.388 58.000 0.110 0.000 1.422 274 F CB -0.425 38.703 39.000 0.214 0.000 1.067 274 F HN -0.022 nan 8.300 nan 0.000 0.539 275 R N 0.512 121.119 120.500 0.178 0.000 2.092 275 R HA -0.135 4.185 4.340 -0.035 0.000 0.231 275 R C 1.692 178.009 176.300 0.027 0.000 1.119 275 R CA 1.828 57.992 56.100 0.106 0.000 0.970 275 R CB -0.242 30.109 30.300 0.085 0.000 0.864 275 R HN 0.124 nan 8.270 nan 0.000 0.440 276 D N -0.162 120.208 120.400 -0.050 0.000 2.103 276 D HA -0.117 4.502 4.640 -0.035 0.000 0.199 276 D C 1.979 178.213 176.300 -0.110 0.000 0.978 276 D CA 1.190 55.130 54.000 -0.100 0.000 0.829 276 D CB -0.192 40.514 40.800 -0.157 0.000 0.981 276 D HN 0.093 nan 8.370 nan 0.000 0.464 277 V N 1.198 121.009 119.914 -0.171 0.000 2.295 277 V HA -0.237 3.862 4.120 -0.035 0.000 0.246 277 V C 2.595 178.754 176.094 0.107 0.000 1.049 277 V CA 1.642 63.903 62.300 -0.065 0.000 1.024 277 V CB -0.489 31.264 31.823 -0.116 0.000 0.648 277 V HN 0.113 nan 8.190 nan 0.000 0.447 278 R N 0.106 120.668 120.500 0.103 0.000 2.127 278 R HA -0.197 4.122 4.340 -0.035 0.000 0.238 278 R C 2.358 178.644 176.300 -0.023 0.000 1.134 278 R CA 1.596 57.694 56.100 -0.003 0.000 0.975 278 R CB -0.181 30.176 30.300 0.095 0.000 0.865 278 R HN 0.484 nan 8.270 nan 0.000 0.447 279 K N 0.413 120.821 120.400 0.015 0.000 2.063 279 K HA -0.159 4.141 4.320 -0.035 0.000 0.208 279 K C 1.919 178.580 176.600 0.102 0.000 1.048 279 K CA 1.833 58.138 56.287 0.029 0.000 0.928 279 K CB -0.025 32.465 32.500 -0.016 0.000 0.713 279 K HN 0.217 nan 8.250 nan 0.000 0.442 280 K N -0.201 120.188 120.400 -0.017 0.000 2.218 280 K HA -0.178 4.121 4.320 -0.035 0.000 0.205 280 K C 1.120 177.500 176.600 -0.367 0.000 1.046 280 K CA 1.364 57.544 56.287 -0.179 0.000 0.933 280 K CB -0.090 32.197 32.500 -0.355 0.000 0.728 280 K HN 0.303 nan 8.250 nan 0.000 0.454 281 Y N 0.432 120.612 120.300 -0.200 0.000 2.555 281 Y HA 0.053 4.582 4.550 -0.034 0.000 0.259 281 Y C 1.978 177.744 175.900 -0.223 0.000 1.179 281 Y CA -0.404 57.539 58.100 -0.261 0.000 1.230 281 Y CB -0.133 37.893 38.460 -0.723 0.000 1.146 281 Y HN 0.204 nan 8.280 nan 0.000 0.526 282 H N -1.577 117.462 119.070 -0.053 0.000 2.492 282 H HA -0.139 4.396 4.556 -0.035 0.000 0.296 282 H C 1.905 177.199 175.328 -0.057 0.000 1.095 282 H CA 1.228 57.253 56.048 -0.039 0.000 1.281 282 H CB -0.344 29.384 29.762 -0.057 0.000 1.374 282 H HN 0.363 nan 8.280 nan 0.000 0.545 283 A N 0.825 123.319 122.820 -0.544 0.000 2.067 283 A HA -0.007 4.292 4.320 -0.035 0.000 0.219 283 A C 1.386 178.664 177.584 -0.511 0.000 1.158 283 A CA 0.685 52.385 52.037 -0.562 0.000 0.661 283 A CB -0.787 17.718 19.000 -0.824 0.000 0.801 283 A HN 0.318 nan 8.150 nan 0.000 0.452 284 F N 0.700 120.646 119.950 -0.008 0.000 2.693 284 F HA 0.195 4.700 4.527 -0.036 0.000 0.303 284 F C 0.638 176.487 175.800 0.082 0.000 1.097 284 F CA -0.368 57.664 58.000 0.052 0.000 1.330 284 F CB 0.208 39.289 39.000 0.134 0.000 1.067 284 F HN 0.092 nan 8.300 nan 0.000 0.565 285 E N 0.922 121.245 120.200 0.204 0.000 2.354 285 E HA 0.261 4.590 4.350 -0.035 0.000 0.269 285 E C 0.683 177.349 176.600 0.110 0.000 1.036 285 E CA -0.133 56.379 56.400 0.187 0.000 0.876 285 E CB 1.297 31.112 29.700 0.191 0.000 1.009 285 E HN 0.247 nan 8.360 nan 0.000 0.416 286 G N 1.509 110.341 108.800 0.054 0.000 2.634 286 G HA2 0.122 4.062 3.960 -0.035 0.000 0.255 286 G HA3 0.122 4.062 3.960 -0.035 0.000 0.255 286 G C 0.759 175.809 174.900 0.251 0.000 1.205 286 G CA -0.449 44.690 45.100 0.064 0.000 0.884 286 G HN 0.392 nan 8.290 nan 0.000 0.549 287 M N 0.250 119.991 119.600 0.235 0.000 2.495 287 M HA 0.156 4.615 4.480 -0.035 0.000 0.237 287 M C 1.050 177.439 176.300 0.148 0.000 1.131 287 M CA 0.138 55.535 55.300 0.162 0.000 1.032 287 M CB -0.758 31.907 32.600 0.108 0.000 1.513 287 M HN 0.660 nan 8.290 nan 0.000 0.488 288 M N 1.206 120.926 119.600 0.200 0.000 2.217 288 M HA 0.323 4.782 4.480 -0.035 0.000 0.354 288 M C -0.779 175.496 176.300 -0.041 0.000 1.225 288 M CA 0.710 56.010 55.300 0.001 0.000 1.137 288 M CB 0.774 33.254 32.600 -0.200 0.000 1.576 288 M HN -0.107 nan 8.290 nan 0.000 0.461 289 K N 3.506 123.879 120.400 -0.044 0.000 2.270 289 K HA 0.729 5.028 4.320 -0.035 0.000 0.255 289 K C 0.334 176.896 176.600 -0.063 0.000 0.936 289 K CA -0.232 56.032 56.287 -0.039 0.000 0.809 289 K CB 1.813 34.308 32.500 -0.008 0.000 1.131 289 K HN 1.039 nan 8.250 nan 0.000 0.427 290 G N 1.930 110.691 108.800 -0.066 0.000 2.588 290 G HA2 -0.310 3.630 3.960 -0.035 0.000 0.273 290 G HA3 -0.310 3.630 3.960 -0.035 0.000 0.273 290 G C -0.424 174.416 174.900 -0.101 0.000 1.211 290 G CA 0.146 45.206 45.100 -0.066 0.000 0.958 290 G HN 0.821 nan 8.290 nan 0.000 0.543 291 S N -0.295 115.349 115.700 -0.093 0.000 2.661 291 S HA 0.638 5.087 4.470 -0.035 0.000 0.285 291 S C -1.637 172.907 174.600 -0.095 0.000 1.138 291 S CA 0.227 58.361 58.200 -0.110 0.000 0.855 291 S CB 2.630 65.780 63.200 -0.083 0.000 1.136 291 S HN 0.991 nan 8.310 nan 0.000 0.484 292 D N 0.285 120.627 120.400 -0.096 0.000 2.441 292 D HA 0.619 5.238 4.640 -0.035 0.000 0.231 292 D C 0.813 177.088 176.300 -0.042 0.000 1.073 292 D CA -0.591 53.368 54.000 -0.067 0.000 0.850 292 D CB 1.392 42.148 40.800 -0.073 0.000 1.062 292 D HN 0.633 nan 8.370 nan 0.000 0.524 293 A N 4.616 127.418 122.820 -0.030 0.000 2.066 293 A HA -0.100 4.199 4.320 -0.035 0.000 0.218 293 A C 2.041 179.620 177.584 -0.009 0.000 1.157 293 A CA 0.729 52.755 52.037 -0.018 0.000 0.670 293 A CB -0.137 18.854 19.000 -0.014 0.000 0.804 293 A HN 0.608 nan 8.150 nan 0.000 0.453 294 R N -0.228 120.267 120.500 -0.008 0.000 2.117 294 R HA -0.125 4.194 4.340 -0.035 0.000 0.243 294 R C 1.706 178.008 176.300 0.004 0.000 1.143 294 R CA 1.736 57.837 56.100 0.000 0.000 0.968 294 R CB -0.526 29.775 30.300 0.003 0.000 0.863 294 R HN 0.597 nan 8.270 nan 0.000 0.444 295 I N 0.736 121.306 120.570 0.000 0.000 2.567 295 I HA -0.244 3.905 4.170 -0.035 0.000 0.257 295 I C 2.019 178.142 176.117 0.009 0.000 1.184 295 I CA 1.022 62.324 61.300 0.005 0.000 1.451 295 I CB -0.221 37.778 38.000 -0.002 0.000 1.089 295 I HN 0.206 nan 8.210 nan 0.000 0.441 296 L N -0.162 121.064 121.223 0.005 0.000 2.240 296 L HA -0.083 4.236 4.340 -0.035 0.000 0.211 296 L C 2.484 179.362 176.870 0.014 0.000 1.106 296 L CA 0.533 55.379 54.840 0.009 0.000 0.793 296 L CB -0.198 41.862 42.059 0.002 0.000 0.927 296 L HN 0.087 nan 8.230 nan 0.000 0.446 297 V N 0.018 119.939 119.914 0.012 0.000 2.270 297 V HA -0.150 3.949 4.120 -0.035 0.000 0.245 297 V C 1.726 177.831 176.094 0.019 0.000 1.043 297 V CA 1.906 64.214 62.300 0.014 0.000 1.014 297 V CB -0.372 31.458 31.823 0.012 0.000 0.645 297 V HN 0.504 nan 8.190 nan 0.000 0.447 298 A N -1.965 120.867 122.820 0.020 0.000 2.622 298 A HA 0.459 4.758 4.320 -0.035 0.000 0.283 298 A C 0.667 178.267 177.584 0.027 0.000 0.998 298 A CA 0.199 52.251 52.037 0.025 0.000 0.985 298 A CB 0.437 19.452 19.000 0.026 0.000 1.236 298 A HN 0.346 nan 8.150 nan 0.000 0.559 299 Q N -1.640 118.175 119.800 0.025 0.000 2.416 299 Q HA -0.145 4.174 4.340 -0.035 0.000 0.235 299 Q C -0.078 175.936 176.000 0.023 0.000 0.773 299 Q CA 1.093 56.913 55.803 0.027 0.000 1.286 299 Q CB -2.459 26.296 28.738 0.028 0.000 1.556 299 Q HN 0.528 nan 8.270 nan 0.000 0.650 300 V N 2.040 121.967 119.914 0.021 0.000 2.446 300 V HA 0.192 4.291 4.120 -0.035 0.000 0.276 300 V C -1.753 174.349 176.094 0.014 0.000 1.030 300 V CA -0.890 61.421 62.300 0.018 0.000 1.033 300 V CB 0.493 32.327 31.823 0.017 0.000 0.993 300 V HN 0.047 nan 8.190 nan 0.000 0.477 301 P HA 0.159 nan 4.420 nan 0.000 0.271 301 P C 1.083 178.389 177.300 0.010 0.000 1.218 301 P CA 0.003 63.105 63.100 0.003 0.000 0.780 301 P CB 0.862 32.556 31.700 -0.010 0.000 0.901 302 G N 2.320 111.130 108.800 0.016 0.000 2.432 302 G HA2 -0.221 3.718 3.960 -0.035 0.000 0.219 302 G HA3 -0.221 3.718 3.960 -0.035 0.000 0.219 302 G C 1.663 176.594 174.900 0.052 0.000 1.135 302 G CA 0.866 45.992 45.100 0.043 0.000 0.767 302 G HN 0.631 nan 8.290 nan 0.000 0.550 303 G N 0.409 109.229 108.800 0.033 0.000 2.448 303 G HA2 -0.169 3.771 3.960 -0.035 0.000 0.219 303 G HA3 -0.169 3.771 3.960 -0.035 0.000 0.219 303 G C 1.702 176.610 174.900 0.013 0.000 1.127 303 G CA 0.997 46.107 45.100 0.018 0.000 0.766 303 G HN 0.451 nan 8.290 nan 0.000 0.552 304 M N -0.420 119.187 119.600 0.011 0.000 2.123 304 M HA 0.109 4.568 4.480 -0.035 0.000 0.263 304 M C 2.319 178.628 176.300 0.014 0.000 1.069 304 M CA 1.066 56.372 55.300 0.010 0.000 1.133 304 M CB -0.091 32.514 32.600 0.008 0.000 1.356 304 M HN 0.205 nan 8.290 nan 0.000 0.415 305 L N 0.348 121.582 121.223 0.019 0.000 2.046 305 L HA -0.157 4.162 4.340 -0.035 0.000 0.208 305 L C 2.085 178.969 176.870 0.023 0.000 1.077 305 L CA 2.107 56.959 54.840 0.020 0.000 0.747 305 L CB -1.019 41.054 42.059 0.023 0.000 0.896 305 L HN 0.339 nan 8.230 nan 0.000 0.432 306 T N -0.430 114.142 114.554 0.030 0.000 2.595 306 T HA -0.244 4.085 4.350 -0.035 0.000 0.264 306 T C 1.705 176.418 174.700 0.022 0.000 1.058 306 T CA 1.834 63.953 62.100 0.031 0.000 1.166 306 T CB -0.576 68.313 68.868 0.036 0.000 0.863 306 T HN 0.449 nan 8.240 nan 0.000 0.415 307 N N 0.668 119.379 118.700 0.019 0.000 2.137 307 N HA -0.088 4.631 4.740 -0.035 0.000 0.190 307 N C 1.838 177.356 175.510 0.013 0.000 1.017 307 N CA 1.484 54.544 53.050 0.016 0.000 0.859 307 N CB -0.292 38.204 38.487 0.015 0.000 1.002 307 N HN 0.389 nan 8.380 nan 0.000 0.428 308 M N -0.290 119.316 119.600 0.010 0.000 2.156 308 M HA -0.061 4.398 4.480 -0.035 0.000 0.264 308 M C 1.887 178.191 176.300 0.007 0.000 1.067 308 M CA 1.232 56.535 55.300 0.005 0.000 1.131 308 M CB -0.168 32.434 32.600 0.003 0.000 1.368 308 M HN 0.224 nan 8.290 nan 0.000 0.416 309 E N -0.271 119.935 120.200 0.011 0.000 2.110 309 E HA -0.134 4.195 4.350 -0.035 0.000 0.193 309 E C 2.086 178.693 176.600 0.012 0.000 0.988 309 E CA 1.240 57.647 56.400 0.012 0.000 0.804 309 E CB 0.035 29.744 29.700 0.016 0.000 0.745 309 E HN 0.343 nan 8.360 nan 0.000 0.458 310 S N 0.870 116.578 115.700 0.014 0.000 2.353 310 S HA -0.238 4.211 4.470 -0.035 0.000 0.222 310 S C 1.939 176.546 174.600 0.012 0.000 1.035 310 S CA 1.276 59.485 58.200 0.015 0.000 1.025 310 S CB -0.213 62.998 63.200 0.018 0.000 0.902 310 S HN 0.282 nan 8.310 nan 0.000 0.440 311 Q N 0.318 120.123 119.800 0.009 0.000 2.096 311 Q HA -0.061 4.258 4.340 -0.035 0.000 0.204 311 Q C 2.126 178.128 176.000 0.003 0.000 0.982 311 Q CA 1.137 56.943 55.803 0.006 0.000 0.850 311 Q CB -0.336 28.403 28.738 0.002 0.000 0.901 311 Q HN 0.456 nan 8.270 nan 0.000 0.422 312 L N 0.331 121.555 121.223 0.002 0.000 2.362 312 L HA -0.157 4.162 4.340 -0.035 0.000 0.219 312 L C 2.142 179.014 176.870 0.004 0.000 1.134 312 L CA 0.867 55.707 54.840 0.001 0.000 0.807 312 L CB -0.071 41.989 42.059 0.001 0.000 0.927 312 L HN 0.150 nan 8.230 nan 0.000 0.447 313 K N -0.334 120.070 120.400 0.007 0.000 2.021 313 K HA -0.087 4.212 4.320 -0.035 0.000 0.205 313 K C 1.561 178.165 176.600 0.007 0.000 1.047 313 K CA 0.892 57.184 56.287 0.008 0.000 0.943 313 K CB 0.044 32.550 32.500 0.010 0.000 0.725 313 K HN 0.323 nan 8.250 nan 0.000 0.439 314 Q N 0.569 120.374 119.800 0.008 0.000 2.387 314 Q HA -0.028 4.291 4.340 -0.035 0.000 0.211 314 Q C 0.511 176.515 176.000 0.006 0.000 0.952 314 Q CA 0.457 56.265 55.803 0.008 0.000 0.957 314 Q CB 0.498 29.243 28.738 0.011 0.000 1.002 314 Q HN 0.309 nan 8.270 nan 0.000 0.502 315 Q N -0.314 119.488 119.800 0.004 0.000 2.140 315 Q HA 0.099 4.418 4.340 -0.035 0.000 0.227 315 Q C -0.163 175.838 176.000 0.002 0.000 0.798 315 Q CA -0.290 55.514 55.803 0.002 0.000 0.987 315 Q CB 0.610 29.347 28.738 -0.002 0.000 1.161 315 Q HN 0.265 nan 8.270 nan 0.000 0.480 316 N N 1.879 120.581 118.700 0.003 0.000 5.495 316 N HA -0.344 4.375 4.740 -0.035 0.000 0.335 316 N C -0.411 175.100 175.510 0.002 0.000 0.914 316 N CA 2.202 55.254 53.050 0.003 0.000 1.149 316 N CB -0.603 37.886 38.487 0.003 0.000 0.791 316 N HN 0.432 nan 8.380 nan 0.000 0.517 317 A N -2.044 120.777 122.820 0.002 0.000 2.475 317 A HA -0.193 4.106 4.320 -0.035 0.000 0.295 317 A C 1.053 178.638 177.584 0.001 0.000 1.457 317 A CA 0.947 52.985 52.037 0.001 0.000 0.734 317 A CB -1.892 17.107 19.000 -0.001 0.000 1.118 317 A HN 1.195 nan 8.150 nan 0.000 0.400 318 L N 0.609 121.834 121.223 0.003 0.000 2.478 318 L HA 0.017 4.336 4.340 -0.035 0.000 0.223 318 L C 2.145 179.017 176.870 0.004 0.000 1.140 318 L CA 2.225 57.067 54.840 0.004 0.000 0.842 318 L CB -0.243 41.819 42.059 0.006 0.000 0.953 318 L HN 0.724 nan 8.230 nan 0.000 0.452 319 D N -0.884 119.518 120.400 0.003 0.000 2.348 319 D HA -0.221 4.399 4.640 -0.035 0.000 0.216 319 D C 1.259 177.560 176.300 0.002 0.000 0.970 319 D CA 0.742 54.744 54.000 0.003 0.000 0.889 319 D CB -0.147 40.655 40.800 0.003 0.000 0.912 319 D HN 0.370 nan 8.370 nan 0.000 0.524 320 K N -0.072 120.329 120.400 0.001 0.000 2.458 320 K HA 0.072 4.371 4.320 -0.035 0.000 0.194 320 K C 1.657 178.256 176.600 -0.001 0.000 1.024 320 K CA -0.383 55.904 56.287 -0.001 0.000 1.108 320 K CB 0.227 32.724 32.500 -0.004 0.000 0.846 320 K HN 0.009 nan 8.250 nan 0.000 0.518 321 L N 1.810 123.034 121.223 0.001 0.000 2.012 321 L HA -0.221 4.099 4.340 -0.035 0.000 0.210 321 L C 1.411 178.283 176.870 0.003 0.000 1.073 321 L CA 2.020 56.862 54.840 0.002 0.000 0.748 321 L CB -0.363 41.699 42.059 0.005 0.000 0.891 321 L HN 0.170 nan 8.230 nan 0.000 0.431 322 D N -0.634 119.769 120.400 0.004 0.000 2.178 322 D HA -0.167 4.452 4.640 -0.035 0.000 0.201 322 D C 2.299 178.602 176.300 0.005 0.000 0.980 322 D CA 1.445 55.449 54.000 0.006 0.000 0.842 322 D CB -0.022 40.782 40.800 0.006 0.000 0.948 322 D HN 0.415 nan 8.370 nan 0.000 0.472 323 L N 0.246 121.471 121.223 0.002 0.000 2.072 323 L HA -0.107 4.212 4.340 -0.035 0.000 0.205 323 L C 2.580 179.449 176.870 -0.002 0.000 1.079 323 L CA 0.489 55.329 54.840 0.001 0.000 0.752 323 L CB -0.442 41.616 42.059 -0.002 0.000 0.906 323 L HN -0.085 nan 8.230 nan 0.000 0.436 324 V N 0.482 120.393 119.914 -0.005 0.000 2.343 324 V HA -0.275 3.824 4.120 -0.035 0.000 0.247 324 V C 2.439 178.532 176.094 -0.003 0.000 1.051 324 V CA 1.595 63.889 62.300 -0.009 0.000 1.036 324 V CB -0.353 31.464 31.823 -0.010 0.000 0.654 324 V HN 0.355 nan 8.190 nan 0.000 0.451 325 L N -0.398 120.827 121.223 0.004 0.000 2.093 325 L HA -0.171 4.148 4.340 -0.035 0.000 0.208 325 L C 2.380 179.259 176.870 0.014 0.000 1.085 325 L CA 1.573 56.419 54.840 0.010 0.000 0.755 325 L CB -0.601 41.464 42.059 0.011 0.000 0.904 325 L HN 0.386 nan 8.230 nan 0.000 0.435 326 E N -0.438 119.769 120.200 0.013 0.000 2.427 326 E HA -0.182 4.147 4.350 -0.035 0.000 0.196 326 E C 1.773 178.384 176.600 0.019 0.000 1.028 326 E CA 0.319 56.730 56.400 0.018 0.000 0.864 326 E CB 0.215 29.925 29.700 0.016 0.000 0.813 326 E HN 0.320 nan 8.360 nan 0.000 0.514 327 E N 0.894 121.100 120.200 0.010 0.000 2.190 327 E HA -0.024 4.305 4.350 -0.035 0.000 0.191 327 E C 1.701 178.306 176.600 0.010 0.000 0.978 327 E CA 0.389 56.791 56.400 0.005 0.000 0.839 327 E CB 0.044 29.734 29.700 -0.017 0.000 0.787 327 E HN 0.171 nan 8.360 nan 0.000 0.473 328 I N 2.147 122.723 120.570 0.010 0.000 2.118 328 I HA -0.241 3.908 4.170 -0.035 0.000 0.241 328 I C -0.674 175.465 176.117 0.036 0.000 1.070 328 I CA 1.499 62.809 61.300 0.017 0.000 1.327 328 I CB -1.323 36.688 38.000 0.019 0.000 1.034 328 I HN 0.223 nan 8.210 nan 0.000 0.405 329 P HA -0.166 nan 4.420 nan 0.000 0.215 329 P C 1.455 178.793 177.300 0.063 0.000 1.153 329 P CA 1.618 64.768 63.100 0.084 0.000 0.853 329 P CB -0.211 31.543 31.700 0.089 0.000 0.788 330 R N -0.179 120.348 120.500 0.045 0.000 2.082 330 R HA -0.072 4.247 4.340 -0.035 0.000 0.234 330 R C 2.396 178.709 176.300 0.022 0.000 1.136 330 R CA 1.499 57.618 56.100 0.033 0.000 0.935 330 R CB -1.452 28.878 30.300 0.049 0.000 0.842 330 R HN 0.081 nan 8.270 nan 0.000 0.430 331 V N 1.222 121.165 119.914 0.048 0.000 2.392 331 V HA -0.265 3.834 4.120 -0.035 0.000 0.249 331 V C 2.524 178.618 176.094 -0.001 0.000 1.059 331 V CA 1.816 64.161 62.300 0.075 0.000 1.051 331 V CB -0.654 31.191 31.823 0.036 0.000 0.658 331 V HN 0.340 nan 8.190 nan 0.000 0.455 332 R N 0.001 120.485 120.500 -0.027 0.000 2.075 332 R HA -0.218 4.101 4.340 -0.035 0.000 0.232 332 R C 2.425 178.548 176.300 -0.295 0.000 1.126 332 R CA 2.029 58.092 56.100 -0.061 0.000 0.963 332 R CB -0.202 30.131 30.300 0.055 0.000 0.858 332 R HN 0.698 nan 8.270 nan 0.000 0.435 333 E N 0.557 120.483 120.200 -0.456 0.000 2.051 333 E HA -0.225 4.105 4.350 -0.035 0.000 0.192 333 E C 1.608 177.847 176.600 -0.602 0.000 0.991 333 E CA 1.648 57.429 56.400 -1.033 0.000 0.799 333 E CB 0.047 29.379 29.700 -0.613 0.000 0.748 333 E HN 0.412 nan 8.360 nan 0.000 0.449 334 E N -0.058 119.963 120.200 -0.298 0.000 2.209 334 E HA -0.140 4.189 4.350 -0.035 0.000 0.196 334 E C 1.306 177.794 176.600 -0.187 0.000 0.993 334 E CA 0.791 57.067 56.400 -0.207 0.000 0.819 334 E CB 0.036 29.655 29.700 -0.135 0.000 0.745 334 E HN 0.347 nan 8.360 nan 0.000 0.477 335 L N -0.156 120.963 121.223 -0.173 0.000 2.783 335 L HA 0.253 4.573 4.340 -0.035 0.000 0.236 335 L C 0.758 177.545 176.870 -0.139 0.000 1.225 335 L CA -0.102 54.665 54.840 -0.123 0.000 1.026 335 L CB 0.167 42.183 42.059 -0.073 0.000 1.314 335 L HN 0.182 nan 8.230 nan 0.000 0.489 336 G N -0.442 108.221 108.800 -0.227 0.000 2.246 336 G HA2 -0.334 3.605 3.960 -0.035 0.000 0.273 336 G HA3 -0.334 3.605 3.960 -0.035 0.000 0.273 336 G C 0.292 175.182 174.900 -0.016 0.000 1.055 336 G CA -0.155 44.852 45.100 -0.155 0.000 0.851 336 G HN 0.322 nan 8.290 nan 0.000 0.500 337 F N -2.840 117.116 119.950 0.010 0.000 3.100 337 F HA -0.218 4.289 4.527 -0.033 0.000 0.283 337 F C 1.371 177.230 175.800 0.097 0.000 0.900 337 F CA 0.581 58.611 58.000 0.050 0.000 1.010 337 F CB -2.200 36.834 39.000 0.057 0.000 1.029 337 F HN 0.655 nan 8.300 nan 0.000 0.637 338 L N -1.155 120.162 121.223 0.157 0.000 2.559 338 L HA 0.310 4.629 4.340 -0.035 0.000 0.282 338 L C -1.957 174.980 176.870 0.112 0.000 1.232 338 L CA -1.978 52.932 54.840 0.117 0.000 0.885 338 L CB -0.881 41.194 42.059 0.026 0.000 1.131 338 L HN -0.221 nan 8.230 nan 0.000 0.498 339 P HA 0.096 nan 4.420 nan 0.000 0.266 339 P C -0.399 176.921 177.300 0.033 0.000 1.195 339 P CA 0.063 63.180 63.100 0.028 0.000 0.768 339 P CB 0.356 32.081 31.700 0.041 0.000 0.838 340 L N 3.250 124.484 121.223 0.019 0.000 2.375 340 L HA 0.279 4.599 4.340 -0.035 0.000 0.276 340 L C -0.062 176.817 176.870 0.015 0.000 1.162 340 L CA -0.094 54.756 54.840 0.018 0.000 0.991 340 L CB -0.203 41.866 42.059 0.017 0.000 1.315 340 L HN 0.114 nan 8.230 nan 0.000 0.431 341 V N 0.726 120.655 119.914 0.026 0.000 2.971 341 V HA 0.277 4.376 4.120 -0.035 0.000 0.309 341 V C 0.201 176.324 176.094 0.048 0.000 1.130 341 V CA -0.631 61.688 62.300 0.032 0.000 0.964 341 V CB 2.792 34.651 31.823 0.060 0.000 1.029 341 V HN 0.528 nan 8.190 nan 0.000 0.427 342 T N 6.559 121.140 114.554 0.046 0.000 2.871 342 T HA 0.144 4.473 4.350 -0.035 0.000 0.296 342 T C -1.905 172.873 174.700 0.131 0.000 0.998 342 T CA -0.024 62.117 62.100 0.069 0.000 1.162 342 T CB 0.707 69.610 68.868 0.059 0.000 0.947 342 T HN 0.625 nan 8.240 nan 0.000 0.536 343 P HA 0.204 nan 4.420 nan 0.000 0.280 343 P C 0.957 178.270 177.300 0.021 0.000 1.431 343 P CA -0.133 63.004 63.100 0.062 0.000 1.058 343 P CB 0.365 32.112 31.700 0.078 0.000 1.521 344 T N 0.185 114.741 114.554 0.002 0.000 2.904 344 T HA -0.102 4.227 4.350 -0.035 0.000 0.267 344 T C 2.030 176.708 174.700 -0.037 0.000 1.059 344 T CA 2.052 64.118 62.100 -0.057 0.000 1.137 344 T CB -0.414 68.424 68.868 -0.050 0.000 0.879 344 T HN 0.293 nan 8.240 nan 0.000 0.467 345 S N 1.657 117.353 115.700 -0.007 0.000 2.370 345 S HA -0.227 4.222 4.470 -0.035 0.000 0.226 345 S C 2.111 176.707 174.600 -0.007 0.000 1.033 345 S CA 1.258 59.456 58.200 -0.003 0.000 1.011 345 S CB -0.569 62.634 63.200 0.004 0.000 0.852 345 S HN 0.512 nan 8.310 nan 0.000 0.457 346 Q N 0.556 120.354 119.800 -0.003 0.000 2.170 346 Q HA -0.056 4.263 4.340 -0.035 0.000 0.203 346 Q C 2.141 178.135 176.000 -0.011 0.000 0.976 346 Q CA 1.623 57.426 55.803 -0.000 0.000 0.858 346 Q CB -0.319 28.427 28.738 0.014 0.000 0.907 346 Q HN 0.745 nan 8.270 nan 0.000 0.433 347 I N -0.437 120.117 120.570 -0.026 0.000 2.179 347 I HA -0.278 3.871 4.170 -0.035 0.000 0.242 347 I C 2.202 178.296 176.117 -0.038 0.000 1.088 347 I CA 0.894 62.170 61.300 -0.041 0.000 1.357 347 I CB -0.289 37.654 38.000 -0.095 0.000 1.051 347 I HN 0.057 nan 8.210 nan 0.000 0.409 348 V N 1.032 120.924 119.914 -0.036 0.000 2.358 348 V HA -0.182 3.917 4.120 -0.035 0.000 0.246 348 V C 2.548 178.624 176.094 -0.030 0.000 1.047 348 V CA 2.143 64.426 62.300 -0.028 0.000 1.035 348 V CB -1.341 30.472 31.823 -0.016 0.000 0.658 348 V HN 0.579 nan 8.190 nan 0.000 0.452 349 G N -0.424 108.363 108.800 -0.022 0.000 2.404 349 G HA2 -0.209 3.731 3.960 -0.035 0.000 0.215 349 G HA3 -0.209 3.731 3.960 -0.035 0.000 0.215 349 G C 1.702 176.585 174.900 -0.028 0.000 1.174 349 G CA 1.420 46.509 45.100 -0.019 0.000 0.780 349 G HN 0.456 nan 8.290 nan 0.000 0.537 350 T N 0.590 115.128 114.554 -0.026 0.000 2.684 350 T HA -0.171 4.158 4.350 -0.035 0.000 0.267 350 T C 2.352 177.018 174.700 -0.056 0.000 1.036 350 T CA 1.751 63.833 62.100 -0.030 0.000 1.148 350 T CB -0.218 68.640 68.868 -0.017 0.000 0.863 350 T HN 0.333 nan 8.240 nan 0.000 0.436 351 Q N 1.260 121.016 119.800 -0.074 0.000 2.084 351 Q HA 0.051 4.370 4.340 -0.035 0.000 0.202 351 Q C 2.293 178.184 176.000 -0.182 0.000 0.978 351 Q CA 1.779 57.499 55.803 -0.138 0.000 0.844 351 Q CB -0.693 27.961 28.738 -0.140 0.000 0.898 351 Q HN 0.507 nan 8.270 nan 0.000 0.426 352 A N -0.666 122.078 122.820 -0.126 0.000 1.933 352 A HA -0.106 4.193 4.320 -0.035 0.000 0.218 352 A C 2.237 179.768 177.584 -0.088 0.000 1.175 352 A CA 1.548 53.519 52.037 -0.110 0.000 0.628 352 A CB -0.694 18.271 19.000 -0.059 0.000 0.814 352 A HN 0.278 nan 8.150 nan 0.000 0.444 353 V N -0.039 119.835 119.914 -0.068 0.000 2.427 353 V HA -0.236 3.863 4.120 -0.035 0.000 0.248 353 V C 2.374 178.433 176.094 -0.060 0.000 1.051 353 V CA 1.898 64.168 62.300 -0.050 0.000 1.048 353 V CB -0.626 31.177 31.823 -0.033 0.000 0.666 353 V HN 0.566 nan 8.190 nan 0.000 0.456 354 I N 0.470 120.992 120.570 -0.080 0.000 2.252 354 I HA -0.204 3.945 4.170 -0.035 0.000 0.245 354 I C 2.327 178.381 176.117 -0.104 0.000 1.102 354 I CA 1.373 62.622 61.300 -0.085 0.000 1.385 354 I CB -0.458 37.485 38.000 -0.095 0.000 1.064 354 I HN 0.327 nan 8.210 nan 0.000 0.414 355 N N 0.284 118.889 118.700 -0.158 0.000 2.149 355 N HA -0.135 4.584 4.740 -0.035 0.000 0.188 355 N C 1.793 177.254 175.510 -0.081 0.000 1.019 355 N CA 1.123 54.077 53.050 -0.159 0.000 0.857 355 N CB -0.403 37.943 38.487 -0.235 0.000 0.997 355 N HN 0.178 nan 8.380 nan 0.000 0.426 356 V N -0.069 119.805 119.914 -0.065 0.000 2.331 356 V HA -0.073 4.026 4.120 -0.035 0.000 0.242 356 V C 2.321 178.398 176.094 -0.029 0.000 1.034 356 V CA 0.833 63.111 62.300 -0.037 0.000 1.027 356 V CB -0.384 31.421 31.823 -0.030 0.000 0.667 356 V HN 0.030 nan 8.190 nan 0.000 0.457 357 V N 0.134 120.030 119.914 -0.031 0.000 2.287 357 V HA -0.240 3.859 4.120 -0.035 0.000 0.248 357 V C 2.184 178.266 176.094 -0.020 0.000 1.053 357 V CA 1.952 64.239 62.300 -0.022 0.000 1.027 357 V CB -0.495 31.316 31.823 -0.022 0.000 0.646 357 V HN 0.448 nan 8.190 nan 0.000 0.447 358 L N 0.081 121.288 121.223 -0.027 0.000 2.552 358 L HA 0.172 4.491 4.340 -0.035 0.000 0.227 358 L C 1.913 178.775 176.870 -0.014 0.000 1.146 358 L CA 0.889 55.717 54.840 -0.020 0.000 0.858 358 L CB -0.792 41.252 42.059 -0.024 0.000 0.969 358 L HN 0.604 nan 8.230 nan 0.000 0.451 359 G N 0.423 109.214 108.800 -0.016 0.000 2.189 359 G HA2 -0.286 3.653 3.960 -0.035 0.000 0.267 359 G HA3 -0.286 3.653 3.960 -0.035 0.000 0.267 359 G C 0.157 175.056 174.900 -0.003 0.000 0.975 359 G CA 0.205 45.300 45.100 -0.008 0.000 0.644 359 G HN 0.491 nan 8.290 nan 0.000 0.537 360 E N -0.058 120.139 120.200 -0.005 0.000 2.246 360 E HA 0.329 4.658 4.350 -0.035 0.000 0.266 360 E C 0.032 176.639 176.600 0.012 0.000 0.880 360 E CA -0.937 55.469 56.400 0.010 0.000 0.762 360 E CB 1.168 30.876 29.700 0.015 0.000 1.180 360 E HN 0.237 nan 8.360 nan 0.000 0.416 361 R N 2.645 123.174 120.500 0.048 0.000 2.402 361 R HA 0.033 4.352 4.340 -0.035 0.000 0.331 361 R C -0.647 175.792 176.300 0.231 0.000 1.040 361 R CA 0.351 56.515 56.100 0.107 0.000 0.980 361 R CB -0.259 30.141 30.300 0.167 0.000 0.967 361 R HN 0.673 nan 8.270 nan 0.000 0.440 362 Y N -0.182 120.111 120.300 -0.012 0.000 3.892 362 Y HA -0.339 4.188 4.550 -0.038 0.000 0.231 362 Y C 1.446 177.341 175.900 -0.009 0.000 1.266 362 Y CA 0.944 59.036 58.100 -0.012 0.000 1.856 362 Y CB -1.523 36.926 38.460 -0.017 0.000 1.578 362 Y HN 0.622 nan 8.280 nan 0.000 0.669 363 K N -0.010 120.428 120.400 0.063 0.000 2.025 363 K HA -0.021 4.278 4.320 -0.035 0.000 0.207 363 K C 0.295 176.916 176.600 0.034 0.000 1.049 363 K CA 1.766 58.079 56.287 0.043 0.000 0.933 363 K CB 0.146 32.657 32.500 0.018 0.000 0.714 363 K HN 0.235 nan 8.250 nan 0.000 0.438 364 T N 1.634 116.193 114.554 0.009 0.000 2.809 364 T HA 0.400 4.729 4.350 -0.035 0.000 0.296 364 T C -0.368 174.334 174.700 0.004 0.000 1.015 364 T CA -0.534 61.570 62.100 0.007 0.000 0.954 364 T CB 0.984 69.848 68.868 -0.007 0.000 0.950 364 T HN 0.062 nan 8.240 nan 0.000 0.450 365 I N 3.913 124.509 120.570 0.042 0.000 2.315 365 I HA 0.257 4.406 4.170 -0.035 0.000 0.291 365 I C 1.312 177.454 176.117 0.041 0.000 1.006 365 I CA -0.883 60.457 61.300 0.066 0.000 1.265 365 I CB 1.272 39.352 38.000 0.134 0.000 1.387 365 I HN 0.601 nan 8.210 nan 0.000 0.475 366 T N 1.967 116.538 114.554 0.028 0.000 2.856 366 T HA 0.051 4.380 4.350 -0.035 0.000 0.306 366 T C 1.066 175.793 174.700 0.044 0.000 1.062 366 T CA -0.580 61.536 62.100 0.027 0.000 1.083 366 T CB 1.350 70.227 68.868 0.016 0.000 0.984 366 T HN 0.657 nan 8.240 nan 0.000 0.542 367 K N 0.441 120.867 120.400 0.044 0.000 2.152 367 K HA -0.186 4.113 4.320 -0.035 0.000 0.206 367 K C 1.738 178.389 176.600 0.086 0.000 1.048 367 K CA 1.697 58.017 56.287 0.054 0.000 0.933 367 K CB -0.069 32.460 32.500 0.047 0.000 0.721 367 K HN 0.685 nan 8.250 nan 0.000 0.447 368 E N -0.750 119.505 120.200 0.092 0.000 2.122 368 E HA -0.049 4.280 4.350 -0.035 0.000 0.190 368 E C 1.883 178.532 176.600 0.083 0.000 0.977 368 E CA 1.304 57.782 56.400 0.130 0.000 0.820 368 E CB -0.194 29.556 29.700 0.084 0.000 0.770 368 E HN 0.206 nan 8.360 nan 0.000 0.462 369 T N -0.035 114.551 114.554 0.052 0.000 2.746 369 T HA -0.179 4.150 4.350 -0.035 0.000 0.267 369 T C 2.018 176.759 174.700 0.069 0.000 1.039 369 T CA 1.458 63.590 62.100 0.053 0.000 1.142 369 T CB -0.406 68.519 68.868 0.094 0.000 0.866 369 T HN 0.091 nan 8.240 nan 0.000 0.444 370 S N 0.582 116.328 115.700 0.077 0.000 2.353 370 S HA -0.095 4.354 4.470 -0.035 0.000 0.222 370 S C 2.420 177.065 174.600 0.076 0.000 1.035 370 S CA 1.741 59.979 58.200 0.063 0.000 1.025 370 S CB -0.946 62.285 63.200 0.050 0.000 0.902 370 S HN 0.614 nan 8.310 nan 0.000 0.440 371 G N 0.636 109.514 108.800 0.131 0.000 2.442 371 G HA2 -0.147 3.792 3.960 -0.035 0.000 0.219 371 G HA3 -0.147 3.792 3.960 -0.035 0.000 0.219 371 G C 1.481 176.557 174.900 0.293 0.000 1.141 371 G CA 1.103 46.317 45.100 0.191 0.000 0.763 371 G HN 0.471 nan 8.290 nan 0.000 0.554 372 V N 0.941 120.998 119.914 0.237 0.000 2.287 372 V HA -0.169 3.930 4.120 -0.035 0.000 0.248 372 V C 2.940 179.071 176.094 0.062 0.000 1.053 372 V CA 1.718 64.076 62.300 0.096 0.000 1.027 372 V CB -0.472 31.288 31.823 -0.105 0.000 0.646 372 V HN 0.366 nan 8.190 nan 0.000 0.447 373 L N -0.483 120.759 121.223 0.032 0.000 2.046 373 L HA -0.176 4.143 4.340 -0.035 0.000 0.208 373 L C 2.348 179.219 176.870 0.002 0.000 1.077 373 L CA 1.637 56.477 54.840 -0.000 0.000 0.747 373 L CB -0.612 41.438 42.059 -0.015 0.000 0.896 373 L HN 0.247 nan 8.230 nan 0.000 0.432 374 K N 0.155 120.564 120.400 0.014 0.000 2.555 374 K HA 0.061 4.360 4.320 -0.035 0.000 0.193 374 K C 1.154 177.746 176.600 -0.013 0.000 1.032 374 K CA 0.611 56.895 56.287 -0.005 0.000 1.004 374 K CB 0.010 32.503 32.500 -0.011 0.000 0.804 374 K HN 0.467 nan 8.250 nan 0.000 0.496 375 G N 1.790 110.595 108.800 0.009 0.000 2.136 375 G HA2 -0.295 3.644 3.960 -0.035 0.000 0.242 375 G HA3 -0.295 3.644 3.960 -0.035 0.000 0.242 375 G C 0.443 175.319 174.900 -0.039 0.000 0.989 375 G CA 0.375 45.474 45.100 -0.002 0.000 0.682 375 G HN 0.458 nan 8.290 nan 0.000 0.522 376 E N -1.274 118.894 120.200 -0.053 0.000 2.347 376 E HA 0.034 4.363 4.350 -0.035 0.000 0.196 376 E C 1.407 177.732 176.600 -0.458 0.000 1.008 376 E CA 0.818 57.067 56.400 -0.252 0.000 0.852 376 E CB -0.034 29.490 29.700 -0.293 0.000 0.783 376 E HN 0.770 nan 8.360 nan 0.000 0.505 377 Y N -0.733 119.457 120.300 -0.182 0.000 2.444 377 Y HA 0.265 4.824 4.550 0.016 0.000 0.249 377 Y C 1.065 176.941 175.900 -0.039 0.000 1.134 377 Y CA 0.298 58.327 58.100 -0.118 0.000 1.261 377 Y CB 1.425 39.876 38.460 -0.016 0.000 1.143 377 Y HN 0.039 nan 8.280 nan 0.000 0.523 378 G N 0.594 109.429 108.800 0.060 0.000 2.396 378 G HA2 -0.180 3.759 3.960 -0.035 0.000 0.254 378 G HA3 -0.180 3.759 3.960 -0.035 0.000 0.254 378 G C -1.180 173.750 174.900 0.051 0.000 1.248 378 G CA -0.996 44.137 45.100 0.056 0.000 1.033 378 G HN 0.033 nan 8.290 nan 0.000 0.502 379 K N 1.129 121.552 120.400 0.038 0.000 2.276 379 K HA 0.538 4.837 4.320 -0.035 0.000 0.285 379 K C 1.124 177.738 176.600 0.023 0.000 1.062 379 K CA 0.288 56.586 56.287 0.019 0.000 0.918 379 K CB 0.219 32.722 32.500 0.005 0.000 1.055 379 K HN 0.898 nan 8.250 nan 0.000 0.477 380 T N 2.377 116.938 114.554 0.012 0.000 2.900 380 T HA 0.115 4.444 4.350 -0.035 0.000 0.307 380 T C -1.822 172.873 174.700 -0.008 0.000 1.065 380 T CA -1.456 60.650 62.100 0.009 0.000 1.105 380 T CB 0.773 69.637 68.868 -0.007 0.000 0.979 380 T HN 0.416 nan 8.240 nan 0.000 0.544 381 P HA 0.080 nan 4.420 nan 0.000 0.215 381 P C 0.192 177.433 177.300 -0.099 0.000 1.153 381 P CA 1.154 64.193 63.100 -0.102 0.000 0.853 381 P CB -0.000 31.588 31.700 -0.186 0.000 0.788 382 A N -1.578 121.229 122.820 -0.021 0.000 2.374 382 A HA 0.618 4.918 4.320 -0.035 0.000 0.317 382 A C -2.725 174.849 177.584 -0.017 0.000 1.094 382 A CA -2.129 49.907 52.037 -0.002 0.000 0.765 382 A CB 0.278 19.337 19.000 0.098 0.000 1.268 382 A HN -0.156 nan 8.150 nan 0.000 0.438 383 P HA 0.152 nan 4.420 nan 0.000 0.262 383 P C 0.446 177.711 177.300 -0.058 0.000 1.182 383 P CA 0.160 63.238 63.100 -0.037 0.000 0.761 383 P CB 0.198 31.878 31.700 -0.033 0.000 0.795 384 V N 1.355 121.230 119.914 -0.065 0.000 3.432 384 V HA 0.045 4.144 4.120 -0.035 0.000 0.304 384 V C 0.755 176.790 176.094 -0.098 0.000 1.107 384 V CA -0.566 61.680 62.300 -0.091 0.000 1.153 384 V CB 0.182 31.960 31.823 -0.075 0.000 1.072 384 V HN 0.536 nan 8.190 nan 0.000 0.485 385 N N 1.353 119.978 118.700 -0.125 0.000 2.447 385 N HA 0.009 4.728 4.740 -0.035 0.000 0.263 385 N C 0.998 176.443 175.510 -0.109 0.000 1.226 385 N CA 0.658 53.633 53.050 -0.126 0.000 0.906 385 N CB 1.240 39.626 38.487 -0.169 0.000 1.060 385 N HN 0.922 nan 8.380 nan 0.000 0.468 386 T N 2.545 117.047 114.554 -0.087 0.000 2.904 386 T HA -0.113 4.216 4.350 -0.035 0.000 0.267 386 T C 1.499 176.152 174.700 -0.078 0.000 1.059 386 T CA 0.805 62.862 62.100 -0.071 0.000 1.137 386 T CB -0.024 68.811 68.868 -0.054 0.000 0.879 386 T HN 0.552 nan 8.240 nan 0.000 0.467 387 E N 0.805 120.951 120.200 -0.090 0.000 2.204 387 E HA 0.016 4.345 4.350 -0.035 0.000 0.195 387 E C 1.777 178.307 176.600 -0.117 0.000 0.990 387 E CA 0.733 57.077 56.400 -0.093 0.000 0.821 387 E CB -0.297 29.346 29.700 -0.095 0.000 0.750 387 E HN 0.459 nan 8.360 nan 0.000 0.477 388 L N -0.557 120.572 121.223 -0.157 0.000 2.357 388 L HA 0.068 4.387 4.340 -0.035 0.000 0.211 388 L C 2.510 179.311 176.870 -0.115 0.000 1.075 388 L CA 0.338 55.067 54.840 -0.185 0.000 0.830 388 L CB -0.197 41.664 42.059 -0.330 0.000 0.996 388 L HN 0.159 nan 8.230 nan 0.000 0.467 389 Q N 0.670 120.412 119.800 -0.096 0.000 1.993 389 Q HA -0.231 4.088 4.340 -0.035 0.000 0.202 389 Q C 2.258 178.229 176.000 -0.048 0.000 0.984 389 Q CA 2.036 57.801 55.803 -0.063 0.000 0.837 389 Q CB -0.085 28.618 28.738 -0.057 0.000 0.902 389 Q HN 0.485 nan 8.270 nan 0.000 0.423 390 A N 1.008 123.798 122.820 -0.049 0.000 2.024 390 A HA -0.211 4.088 4.320 -0.035 0.000 0.220 390 A C 2.052 179.616 177.584 -0.034 0.000 1.164 390 A CA 1.553 53.568 52.037 -0.038 0.000 0.643 390 A CB -0.604 18.374 19.000 -0.038 0.000 0.806 390 A HN 0.403 nan 8.150 nan 0.000 0.451 391 R N -0.067 120.409 120.500 -0.041 0.000 2.148 391 R HA -0.063 4.257 4.340 -0.035 0.000 0.223 391 R C 1.580 177.868 176.300 -0.020 0.000 1.088 391 R CA 1.601 57.681 56.100 -0.033 0.000 0.985 391 R CB -0.155 30.118 30.300 -0.045 0.000 0.880 391 R HN 0.530 nan 8.270 nan 0.000 0.451 392 V N -2.599 117.303 119.914 -0.020 0.000 3.621 392 V HA 0.154 4.253 4.120 -0.035 0.000 0.285 392 V C 1.491 177.578 176.094 -0.011 0.000 1.346 392 V CA 0.310 62.605 62.300 -0.008 0.000 1.104 392 V CB 0.192 32.017 31.823 0.002 0.000 0.913 392 V HN 0.133 nan 8.190 nan 0.000 0.432 393 L N 1.087 122.300 121.223 -0.017 0.000 2.200 393 L HA 0.508 4.827 4.340 -0.035 0.000 0.200 393 L C 1.939 178.799 176.870 -0.016 0.000 1.072 393 L CA 0.669 55.498 54.840 -0.018 0.000 0.787 393 L CB -0.551 41.495 42.059 -0.022 0.000 0.957 393 L HN 0.356 nan 8.230 nan 0.000 0.459 394 A N 1.420 124.231 122.820 -0.016 0.000 1.775 394 A HA -0.115 4.184 4.320 -0.035 0.000 0.240 394 A C 0.783 178.360 177.584 -0.013 0.000 1.191 394 A CA 0.910 52.938 52.037 -0.014 0.000 0.763 394 A CB -1.679 17.314 19.000 -0.012 0.000 1.139 394 A HN 0.535 nan 8.150 nan 0.000 0.305 395 G N 0.290 109.081 108.800 -0.014 0.000 4.713 395 G HA2 0.691 4.630 3.960 -0.035 0.000 0.318 395 G HA3 0.691 4.630 3.960 -0.035 0.000 0.318 395 G C 0.136 175.026 174.900 -0.017 0.000 1.435 395 G CA 0.689 45.780 45.100 -0.016 0.000 0.965 395 G HN 1.484 nan 8.290 nan 0.000 0.542 396 A N 0.818 123.628 122.820 -0.018 0.000 2.250 396 A HA 0.793 5.092 4.320 -0.035 0.000 0.283 396 A C 0.363 177.935 177.584 -0.021 0.000 1.206 396 A CA -0.472 51.554 52.037 -0.019 0.000 0.840 396 A CB 0.720 19.708 19.000 -0.020 0.000 1.220 396 A HN 0.465 nan 8.150 nan 0.000 0.505 397 E N -0.847 119.340 120.200 -0.023 0.000 2.250 397 E HA 0.513 4.842 4.350 -0.035 0.000 0.265 397 E C -0.165 176.419 176.600 -0.027 0.000 1.033 397 E CA -0.603 55.782 56.400 -0.024 0.000 0.888 397 E CB 1.511 31.197 29.700 -0.023 0.000 1.151 397 E HN 0.754 nan 8.360 nan 0.000 0.412 398 A N 1.780 124.583 122.820 -0.027 0.000 2.371 398 A HA 0.298 4.598 4.320 -0.035 0.000 0.257 398 A C -0.080 177.484 177.584 -0.033 0.000 1.089 398 A CA -0.342 51.678 52.037 -0.029 0.000 0.794 398 A CB 0.057 19.041 19.000 -0.027 0.000 1.029 398 A HN 0.536 nan 8.150 nan 0.000 0.488 399 I N 1.976 122.523 120.570 -0.039 0.000 2.396 399 I HA 0.143 4.292 4.170 -0.035 0.000 0.289 399 I C 1.249 177.343 176.117 -0.038 0.000 1.056 399 I CA 0.426 61.698 61.300 -0.047 0.000 1.365 399 I CB 1.189 39.147 38.000 -0.069 0.000 1.407 399 I HN 0.845 nan 8.210 nan 0.000 0.509 400 T N 0.679 115.213 114.554 -0.033 0.000 3.040 400 T HA 0.136 4.465 4.350 -0.035 0.000 0.266 400 T C 0.455 175.140 174.700 -0.024 0.000 1.005 400 T CA -0.442 61.643 62.100 -0.026 0.000 0.906 400 T CB -0.399 68.456 68.868 -0.022 0.000 1.082 400 T HN 0.663 nan 8.240 nan 0.000 0.531 401 C N 1.227 120.509 119.300 -0.030 0.000 2.345 401 C HA 0.705 5.144 4.460 -0.035 0.000 0.369 401 C C 0.937 175.910 174.990 -0.028 0.000 1.273 401 C CA -1.540 57.463 59.018 -0.026 0.000 2.310 401 C CB 0.336 28.060 27.740 -0.027 0.000 2.219 401 C HN 0.586 nan 8.230 nan 0.000 0.587 402 R N 1.711 122.201 120.500 -0.017 0.000 2.446 402 R HA 0.135 4.454 4.340 -0.035 0.000 0.325 402 R C -1.613 174.667 176.300 -0.033 0.000 0.997 402 R CA -0.649 55.447 56.100 -0.007 0.000 1.010 402 R CB 0.200 30.506 30.300 0.010 0.000 0.946 402 R HN 0.547 nan 8.270 nan 0.000 0.422 403 P HA -0.224 nan 4.420 nan 0.000 0.218 403 P C 0.513 177.751 177.300 -0.104 0.000 1.147 403 P CA 1.802 64.800 63.100 -0.170 0.000 0.827 403 P CB 0.185 31.620 31.700 -0.441 0.000 0.778 404 A N -0.717 122.095 122.820 -0.012 0.000 2.168 404 A HA -0.140 4.159 4.320 -0.035 0.000 0.215 404 A C 1.669 179.245 177.584 -0.013 0.000 1.152 404 A CA 1.317 53.358 52.037 0.006 0.000 0.716 404 A CB -0.948 18.080 19.000 0.046 0.000 0.794 404 A HN 0.099 nan 8.150 nan 0.000 0.465 405 D N 0.084 120.472 120.400 -0.020 0.000 2.219 405 D HA -0.073 4.547 4.640 -0.035 0.000 0.205 405 D C 1.507 177.789 176.300 -0.029 0.000 0.970 405 D CA 0.824 54.811 54.000 -0.021 0.000 0.851 405 D CB -0.134 40.653 40.800 -0.021 0.000 0.943 405 D HN 0.473 nan 8.370 nan 0.000 0.488 406 L N 0.737 121.933 121.223 -0.045 0.000 2.567 406 L HA 0.209 4.528 4.340 -0.035 0.000 0.225 406 L C 0.854 177.694 176.870 -0.051 0.000 1.119 406 L CA -0.028 54.781 54.840 -0.051 0.000 0.871 406 L CB 0.082 42.100 42.059 -0.070 0.000 1.036 406 L HN -0.005 nan 8.230 nan 0.000 0.459 407 I N -2.158 118.384 120.570 -0.046 0.000 2.354 407 I HA 0.645 4.794 4.170 -0.035 0.000 0.292 407 I C 0.170 176.275 176.117 -0.020 0.000 0.989 407 I CA -0.810 60.464 61.300 -0.042 0.000 1.188 407 I CB 1.430 39.394 38.000 -0.060 0.000 1.342 407 I HN -0.191 nan 8.210 nan 0.000 0.457 408 A N 4.889 127.701 122.820 -0.014 0.000 2.407 408 A HA 0.657 4.957 4.320 -0.035 0.000 0.248 408 A C 0.801 178.390 177.584 0.009 0.000 1.082 408 A CA -0.073 51.963 52.037 -0.002 0.000 0.785 408 A CB 0.376 19.376 19.000 -0.001 0.000 1.020 408 A HN 1.218 nan 8.150 nan 0.000 0.489 409 A N 1.069 123.897 122.820 0.012 0.000 2.603 409 A HA 0.159 4.459 4.320 -0.035 0.000 0.235 409 A C 0.741 178.343 177.584 0.029 0.000 1.035 409 A CA 0.988 53.038 52.037 0.020 0.000 0.755 409 A CB -0.180 18.830 19.000 0.016 0.000 0.954 409 A HN 0.909 nan 8.150 nan 0.000 0.511 410 E N 1.745 121.968 120.200 0.040 0.000 2.364 410 E HA -0.019 4.310 4.350 -0.035 0.000 0.203 410 E C 1.438 178.067 176.600 0.049 0.000 0.888 410 E CA -0.005 56.427 56.400 0.053 0.000 0.989 410 E CB -0.075 29.672 29.700 0.079 0.000 0.985 410 E HN 0.752 nan 8.360 nan 0.000 0.499 411 M N 0.893 120.517 119.600 0.040 0.000 2.159 411 M HA -0.061 4.398 4.480 -0.035 0.000 0.263 411 M C -0.840 175.480 176.300 0.033 0.000 1.063 411 M CA 1.495 56.816 55.300 0.035 0.000 1.110 411 M CB -1.771 30.845 32.600 0.026 0.000 1.374 411 M HN 0.013 nan 8.290 nan 0.000 0.411 412 P HA 0.004 nan 4.420 nan 0.000 0.218 412 P C 1.333 178.655 177.300 0.037 0.000 1.152 412 P CA 1.233 64.350 63.100 0.028 0.000 0.826 412 P CB -0.283 31.430 31.700 0.022 0.000 0.790 413 T N -0.359 114.219 114.554 0.041 0.000 2.904 413 T HA -0.054 4.275 4.350 -0.035 0.000 0.267 413 T C 1.629 176.368 174.700 0.066 0.000 1.059 413 T CA 0.672 62.801 62.100 0.049 0.000 1.137 413 T CB -0.699 68.196 68.868 0.046 0.000 0.879 413 T HN -0.049 nan 8.240 nan 0.000 0.467 414 L N 1.181 122.447 121.223 0.071 0.000 2.068 414 L HA 0.113 4.432 4.340 -0.035 0.000 0.204 414 L C 2.637 179.561 176.870 0.090 0.000 1.076 414 L CA 1.651 56.546 54.840 0.091 0.000 0.753 414 L CB -0.902 41.209 42.059 0.086 0.000 0.910 414 L HN 0.127 nan 8.230 nan 0.000 0.439 415 Q N -0.562 119.277 119.800 0.064 0.000 2.248 415 Q HA -0.246 4.073 4.340 -0.035 0.000 0.208 415 Q C 1.637 177.677 176.000 0.066 0.000 0.984 415 Q CA 2.050 57.886 55.803 0.055 0.000 0.875 415 Q CB -0.090 28.668 28.738 0.034 0.000 0.910 415 Q HN 0.509 nan 8.270 nan 0.000 0.433 416 D N -0.475 119.965 120.400 0.066 0.000 2.075 416 D HA -0.104 4.516 4.640 -0.035 0.000 0.196 416 D C 1.859 178.212 176.300 0.088 0.000 0.985 416 D CA 1.187 55.225 54.000 0.064 0.000 0.834 416 D CB -0.161 40.670 40.800 0.051 0.000 0.987 416 D HN 0.244 nan 8.370 nan 0.000 0.452 417 R N 0.224 120.790 120.500 0.110 0.000 2.091 417 R HA -0.098 4.221 4.340 -0.035 0.000 0.238 417 R C 2.339 178.776 176.300 0.228 0.000 1.136 417 R CA 0.806 56.994 56.100 0.146 0.000 0.959 417 R CB -0.348 30.053 30.300 0.169 0.000 0.856 417 R HN 0.100 nan 8.270 nan 0.000 0.437 418 V N 1.122 121.191 119.914 0.259 0.000 2.307 418 V HA -0.204 3.895 4.120 -0.035 0.000 0.245 418 V C 2.238 178.517 176.094 0.309 0.000 1.045 418 V CA 1.561 64.082 62.300 0.369 0.000 1.024 418 V CB -0.372 31.549 31.823 0.164 0.000 0.651 418 V HN 0.263 nan 8.190 nan 0.000 0.449 419 L N -0.349 120.974 121.223 0.167 0.000 2.083 419 L HA -0.209 4.110 4.340 -0.035 0.000 0.209 419 L C 2.634 179.564 176.870 0.100 0.000 1.083 419 L CA 1.694 56.603 54.840 0.115 0.000 0.752 419 L CB -0.526 41.573 42.059 0.067 0.000 0.899 419 L HN 0.396 nan 8.230 nan 0.000 0.433 420 Q N -0.098 119.757 119.800 0.090 0.000 2.020 420 Q HA -0.264 4.055 4.340 -0.035 0.000 0.198 420 Q C 2.267 178.280 176.000 0.022 0.000 0.974 420 Q CA 1.718 57.546 55.803 0.042 0.000 0.829 420 Q CB -0.039 28.718 28.738 0.032 0.000 0.894 420 Q HN 0.491 nan 8.270 nan 0.000 0.433 421 Q N -0.240 119.583 119.800 0.038 0.000 2.061 421 Q HA -0.205 4.114 4.340 -0.035 0.000 0.204 421 Q C 1.932 177.893 176.000 -0.064 0.000 0.984 421 Q CA 1.627 57.367 55.803 -0.104 0.000 0.846 421 Q CB -0.229 28.312 28.738 -0.328 0.000 0.902 421 Q HN 0.454 nan 8.270 nan 0.000 0.421 422 A N 1.245 124.171 122.820 0.177 0.000 1.892 422 A HA -0.239 4.060 4.320 -0.035 0.000 0.218 422 A C 2.079 179.694 177.584 0.053 0.000 1.188 422 A CA 1.795 53.968 52.037 0.226 0.000 0.631 422 A CB -0.547 18.622 19.000 0.282 0.000 0.822 422 A HN 0.257 nan 8.150 nan 0.000 0.447 423 K N -0.459 119.941 120.400 0.001 0.000 2.057 423 K HA -0.143 4.156 4.320 -0.035 0.000 0.207 423 K C 1.938 178.399 176.600 -0.230 0.000 1.049 423 K CA 1.645 57.873 56.287 -0.098 0.000 0.931 423 K CB -0.336 32.125 32.500 -0.066 0.000 0.714 423 K HN 0.687 nan 8.250 nan 0.000 0.440 424 E N 0.458 120.564 120.200 -0.158 0.000 2.110 424 E HA -0.167 4.162 4.350 -0.035 0.000 0.193 424 E C 1.649 178.158 176.600 -0.151 0.000 0.988 424 E CA 0.892 57.192 56.400 -0.167 0.000 0.804 424 E CB 0.165 29.802 29.700 -0.105 0.000 0.745 424 E HN 0.215 nan 8.360 nan 0.000 0.458 425 Q N -0.323 119.417 119.800 -0.100 0.000 2.360 425 Q HA 0.024 4.343 4.340 -0.035 0.000 0.202 425 Q C -0.494 175.595 176.000 0.148 0.000 0.915 425 Q CA 0.146 55.960 55.803 0.018 0.000 0.943 425 Q CB 0.284 28.992 28.738 -0.050 0.000 1.064 425 Q HN 0.425 nan 8.270 nan 0.000 0.511 426 H N -0.421 118.657 119.070 0.014 0.000 2.756 426 H HA -0.167 4.368 4.556 -0.035 0.000 0.315 426 H C -0.430 174.920 175.328 0.037 0.000 1.210 426 H CA 0.480 56.541 56.048 0.022 0.000 1.150 426 H CB -2.145 27.623 29.762 0.010 0.000 1.463 426 H HN 0.249 nan 8.280 nan 0.000 0.427 427 I N 1.343 121.985 120.570 0.119 0.000 2.354 427 I HA 0.117 4.266 4.170 -0.035 0.000 0.292 427 I C 0.850 177.023 176.117 0.093 0.000 0.989 427 I CA -0.292 61.082 61.300 0.123 0.000 1.188 427 I CB 1.768 39.888 38.000 0.200 0.000 1.342 427 I HN -0.013 nan 8.210 nan 0.000 0.457 428 T N 7.324 121.914 114.554 0.061 0.000 2.761 428 T HA 0.413 4.742 4.350 -0.035 0.000 0.296 428 T C 0.214 174.933 174.700 0.032 0.000 0.934 428 T CA -0.298 61.827 62.100 0.041 0.000 1.091 428 T CB 0.232 69.115 68.868 0.026 0.000 0.896 428 T HN 0.262 nan 8.240 nan 0.000 0.515 429 L N 2.254 123.497 121.223 0.034 0.000 2.439 429 L HA 0.623 4.942 4.340 -0.035 0.000 0.259 429 L C 1.100 177.976 176.870 0.010 0.000 1.129 429 L CA -1.214 53.640 54.840 0.024 0.000 0.803 429 L CB 0.440 42.515 42.059 0.026 0.000 1.161 429 L HN 0.613 nan 8.230 nan 0.000 0.462 430 A N 0.472 123.295 122.820 0.004 0.000 2.406 430 A HA 0.024 4.323 4.320 -0.035 0.000 0.243 430 A C 1.215 178.786 177.584 -0.020 0.000 1.082 430 A CA -0.031 52.004 52.037 -0.003 0.000 0.786 430 A CB 0.127 19.122 19.000 -0.009 0.000 1.029 430 A HN 0.944 nan 8.150 nan 0.000 0.495 431 E N 0.446 120.633 120.200 -0.020 0.000 2.147 431 E HA -0.228 4.101 4.350 -0.035 0.000 0.199 431 E C -0.172 176.400 176.600 -0.047 0.000 1.005 431 E CA 1.757 58.141 56.400 -0.027 0.000 0.810 431 E CB -0.154 29.532 29.700 -0.023 0.000 0.736 431 E HN 0.733 nan 8.360 nan 0.000 0.460 432 N N -0.433 118.222 118.700 -0.075 0.000 2.699 432 N HA 0.245 4.964 4.740 -0.035 0.000 0.232 432 N C -0.072 175.364 175.510 -0.123 0.000 1.027 432 N CA 0.210 53.194 53.050 -0.109 0.000 0.920 432 N CB 1.703 40.095 38.487 -0.158 0.000 1.148 432 N HN 0.135 nan 8.380 nan 0.000 0.509 433 A N 1.666 124.437 122.820 -0.080 0.000 2.024 433 A HA -0.183 4.116 4.320 -0.035 0.000 0.220 433 A C 2.005 179.538 177.584 -0.084 0.000 1.164 433 A CA 1.051 53.051 52.037 -0.061 0.000 0.643 433 A CB -0.466 18.517 19.000 -0.028 0.000 0.806 433 A HN 0.696 nan 8.150 nan 0.000 0.451 434 I N 0.007 120.508 120.570 -0.114 0.000 2.361 434 I HA -0.232 3.917 4.170 -0.035 0.000 0.251 434 I C 1.500 177.504 176.117 -0.189 0.000 1.133 434 I CA 1.956 63.183 61.300 -0.122 0.000 1.413 434 I CB -0.209 37.719 38.000 -0.119 0.000 1.073 434 I HN 0.239 nan 8.210 nan 0.000 0.424 435 D N 0.777 120.960 120.400 -0.360 0.000 2.117 435 D HA -0.181 4.438 4.640 -0.035 0.000 0.197 435 D C 1.784 177.999 176.300 -0.142 0.000 0.987 435 D CA 1.428 55.011 54.000 -0.694 0.000 0.829 435 D CB -0.353 39.747 40.800 -1.168 0.000 0.961 435 D HN 0.413 nan 8.370 nan 0.000 0.460 436 D N -0.017 120.357 120.400 -0.043 0.000 2.144 436 D HA -0.084 4.535 4.640 -0.035 0.000 0.200 436 D C 2.324 178.643 176.300 0.031 0.000 0.978 436 D CA 0.308 54.353 54.000 0.075 0.000 0.833 436 D CB -0.273 40.536 40.800 0.014 0.000 0.961 436 D HN 0.061 nan 8.370 nan 0.000 0.470 437 V N 1.242 121.153 119.914 -0.006 0.000 2.332 437 V HA -0.244 3.855 4.120 -0.035 0.000 0.248 437 V C 2.648 178.777 176.094 0.059 0.000 1.055 437 V CA 1.248 63.548 62.300 0.000 0.000 1.038 437 V CB -0.549 31.277 31.823 0.005 0.000 0.651 437 V HN 0.211 nan 8.190 nan 0.000 0.450 438 L N -0.405 120.897 121.223 0.132 0.000 2.046 438 L HA -0.186 4.133 4.340 -0.035 0.000 0.208 438 L C 2.661 179.729 176.870 0.329 0.000 1.077 438 L CA 2.027 57.020 54.840 0.256 0.000 0.747 438 L CB -1.108 41.218 42.059 0.445 0.000 0.896 438 L HN 0.347 nan 8.230 nan 0.000 0.432 439 T N 0.196 115.045 114.554 0.493 0.000 2.720 439 T HA -0.161 4.168 4.350 -0.035 0.000 0.268 439 T C 1.902 176.770 174.700 0.281 0.000 1.037 439 T CA 1.217 63.639 62.100 0.537 0.000 1.144 439 T CB -0.078 69.119 68.868 0.547 0.000 0.864 439 T HN 0.084 nan 8.240 nan 0.000 0.444 440 I N 1.491 122.104 120.570 0.071 0.000 2.353 440 I HA -0.012 4.137 4.170 -0.035 0.000 0.248 440 I C 2.861 179.019 176.117 0.068 0.000 1.119 440 I CA 0.593 61.849 61.300 -0.073 0.000 1.417 440 I CB -1.698 36.079 38.000 -0.372 0.000 1.078 440 I HN 0.169 nan 8.210 nan 0.000 0.421 441 A N 0.954 123.814 122.820 0.066 0.000 1.883 441 A HA -0.173 4.126 4.320 -0.035 0.000 0.217 441 A C 2.369 179.998 177.584 0.075 0.000 1.186 441 A CA 1.546 53.618 52.037 0.059 0.000 0.624 441 A CB -0.779 18.177 19.000 -0.073 0.000 0.822 441 A HN 0.420 nan 8.150 nan 0.000 0.444 442 L N -3.447 117.751 121.223 -0.041 0.000 2.209 442 L HA 0.095 4.414 4.340 -0.035 0.000 0.207 442 L C 1.474 178.154 176.870 -0.318 0.000 1.094 442 L CA 0.836 55.543 54.840 -0.222 0.000 0.790 442 L CB -0.053 41.752 42.059 -0.424 0.000 0.932 442 L HN 0.404 nan 8.230 nan 0.000 0.447 443 F N -1.710 118.311 119.950 0.119 0.000 2.856 443 F HA 0.156 4.663 4.527 -0.035 0.000 0.338 443 F C 0.948 176.779 175.800 0.051 0.000 1.100 443 F CA -0.465 57.578 58.000 0.071 0.000 1.150 443 F CB 0.286 39.325 39.000 0.066 0.000 1.101 443 F HN -0.068 nan 8.300 nan 0.000 0.548 444 D N -0.012 120.510 120.400 0.203 0.000 3.771 444 D HA -0.318 4.301 4.640 -0.035 0.000 0.145 444 D C 1.745 178.218 176.300 0.288 0.000 0.892 444 D CA 2.092 56.215 54.000 0.206 0.000 1.080 444 D CB -0.367 40.505 40.800 0.122 0.000 0.498 444 D HN -0.013 nan 8.370 nan 0.000 0.499 445 Q N -0.563 119.404 119.800 0.278 0.000 2.096 445 Q HA -0.094 4.226 4.340 -0.035 0.000 0.204 445 Q C 2.421 178.576 176.000 0.258 0.000 0.982 445 Q CA 1.583 57.569 55.803 0.304 0.000 0.850 445 Q CB -0.597 28.246 28.738 0.176 0.000 0.901 445 Q HN 0.484 nan 8.270 nan 0.000 0.422 446 V N 0.285 120.314 119.914 0.191 0.000 2.332 446 V HA -0.240 3.859 4.120 -0.035 0.000 0.248 446 V C 2.272 178.471 176.094 0.175 0.000 1.055 446 V CA 2.013 64.401 62.300 0.146 0.000 1.038 446 V CB -1.163 30.728 31.823 0.114 0.000 0.651 446 V HN 0.467 nan 8.190 nan 0.000 0.450 447 G N -1.847 107.080 108.800 0.212 0.000 2.408 447 G HA2 -0.249 3.691 3.960 -0.035 0.000 0.217 447 G HA3 -0.249 3.691 3.960 -0.035 0.000 0.217 447 G C 1.377 176.380 174.900 0.172 0.000 1.150 447 G CA 0.450 45.662 45.100 0.187 0.000 0.776 447 G HN 0.590 nan 8.290 nan 0.000 0.542 448 W N 0.954 122.364 121.300 0.184 0.000 2.388 448 W HA 0.118 4.756 4.660 -0.036 0.000 0.294 448 W C 2.790 179.368 176.519 0.098 0.000 1.212 448 W CA 0.851 58.274 57.345 0.130 0.000 1.271 448 W CB 0.202 29.721 29.460 0.097 0.000 1.126 448 W HN 0.098 nan 8.180 nan 0.000 0.535 449 K N -0.451 120.146 120.400 0.327 0.000 2.057 449 K HA -0.205 4.095 4.320 -0.035 0.000 0.207 449 K C 1.872 178.574 176.600 0.170 0.000 1.049 449 K CA 1.597 58.007 56.287 0.206 0.000 0.931 449 K CB -0.870 31.722 32.500 0.154 0.000 0.714 449 K HN 0.133 nan 8.250 nan 0.000 0.440 450 F N 2.215 122.203 119.950 0.064 0.000 2.095 450 F HA -0.174 4.333 4.527 -0.033 0.000 0.298 450 F C 1.803 177.634 175.800 0.051 0.000 1.104 450 F CA 1.337 59.351 58.000 0.023 0.000 1.232 450 F CB -0.288 38.693 39.000 -0.032 0.000 0.987 450 F HN -0.121 nan 8.300 nan 0.000 0.475 451 L N 0.004 121.128 121.223 -0.165 0.000 2.093 451 L HA -0.142 4.177 4.340 -0.035 0.000 0.208 451 L C 2.816 179.606 176.870 -0.133 0.000 1.085 451 L CA 1.072 55.762 54.840 -0.249 0.000 0.755 451 L CB -1.245 40.807 42.059 -0.012 0.000 0.904 451 L HN 0.278 nan 8.230 nan 0.000 0.435 452 A N 0.168 123.003 122.820 0.025 0.000 1.972 452 A HA -0.176 4.123 4.320 -0.035 0.000 0.219 452 A C 1.841 179.406 177.584 -0.031 0.000 1.169 452 A CA 1.721 53.785 52.037 0.045 0.000 0.635 452 A CB -0.387 18.675 19.000 0.104 0.000 0.810 452 A HN 0.450 nan 8.150 nan 0.000 0.446 453 N N -0.978 117.666 118.700 -0.094 0.000 2.299 453 N HA 0.047 4.766 4.740 -0.035 0.000 0.187 453 N C 0.921 176.333 175.510 -0.164 0.000 1.099 453 N CA 0.008 53.003 53.050 -0.091 0.000 0.867 453 N CB -0.129 38.336 38.487 -0.037 0.000 0.974 453 N HN 0.454 nan 8.380 nan 0.000 0.477 454 R N 0.000 120.305 120.500 -0.326 0.000 2.786 454 R HA 0.000 4.319 4.340 -0.035 0.000 0.208 454 R CA 0.000 55.889 56.100 -0.352 0.000 0.921 454 R CB 0.000 29.985 30.300 -0.525 0.000 0.687 454 R HN 0.000 nan 8.270 nan 0.000 0.535