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 3fz6_1_D DATA FIRST_RESID 12 DATA SEQUENCE ELLDSRFGAK SISTIAESKR FPLHEMRDDV AFQIINDELY LDGNARQNLA DATA SEQUENCE TFCQTWDDEN VHKLMDLSIN KNWIDKEEYP QSAAIDLRCV NMVADLWHAP DATA SEQUENCE APKNGQAVGT NTIGSSEACM LGGMAMKWRW RKRMEAAGKP TDKPNLVCGP DATA SEQUENCE VQICWHKFAR YWDVELREIP MRPGQLFMDP KRMIEACDEN TIGVVPTFGV DATA SEQUENCE TYTGNYEFPQ PLHDALDKFQ ADTGIDIDMH IDAASGGFLA PFVAPDIVWD DATA SEQUENCE FRLPRVKSIS ASGHKFGLAP LGCGWVIWRD EEALPQELVF NVDYLGGQIG DATA SEQUENCE TFAINFSRPA GQVIAQYYEF LRLGREGYTK VQNASYQVAA YLADEIAKLG DATA SEQUENCE PYEFICTGRP DEGIPAVCFK LKDGEDPGYT LYDLSERLRL RGWQVPAFTL DATA SEQUENCE GGEATDIVVM RIMCRRGFEM DFAELLLEDY KASLKYLSDH PKLQGIAQQN DATA SEQUENCE SFKHT 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.604 176.600 0.007 0.000 1.382 12 E CA 0.000 56.404 56.400 0.006 0.000 0.976 12 E CB 0.000 29.703 29.700 0.005 0.000 0.812 13 L N 2.728 123.956 121.223 0.009 0.000 2.410 13 L HA 0.313 4.633 4.340 -0.034 0.000 0.273 13 L C 0.173 177.053 176.870 0.017 0.000 1.152 13 L CA 0.456 55.302 54.840 0.010 0.000 0.855 13 L CB 0.281 42.347 42.059 0.011 0.000 1.129 13 L HN 0.386 nan 8.230 nan 0.000 0.463 14 L N 2.521 123.752 121.223 0.014 0.000 2.304 14 L HA 0.531 4.851 4.340 -0.034 0.000 0.268 14 L C -0.296 176.586 176.870 0.019 0.000 1.010 14 L CA -0.821 54.032 54.840 0.021 0.000 0.813 14 L CB 1.696 43.762 42.059 0.012 0.000 1.315 14 L HN 0.486 nan 8.230 nan 0.000 0.445 15 D N -0.416 120.004 120.400 0.034 0.000 2.408 15 D HA 0.125 4.744 4.640 -0.034 0.000 0.243 15 D C 0.641 176.894 176.300 -0.078 0.000 1.075 15 D CA -0.153 53.844 54.000 -0.005 0.000 0.832 15 D CB 2.024 42.884 40.800 0.101 0.000 1.162 15 D HN 0.581 nan 8.370 nan 0.000 0.515 16 S N 3.600 119.225 115.700 -0.125 0.000 2.507 16 S HA -0.075 4.375 4.470 -0.034 0.000 0.235 16 S C 1.506 175.980 174.600 -0.211 0.000 0.988 16 S CA 0.476 58.597 58.200 -0.131 0.000 0.944 16 S CB 0.147 63.280 63.200 -0.113 0.000 0.762 16 S HN 0.466 nan 8.310 nan 0.000 0.526 17 R N -0.285 119.971 120.500 -0.406 0.000 2.066 17 R HA 0.205 4.525 4.340 -0.034 0.000 0.224 17 R C 0.946 176.935 176.300 -0.518 0.000 1.122 17 R CA 1.366 57.072 56.100 -0.657 0.000 0.974 17 R CB -0.244 29.289 30.300 -1.279 0.000 0.871 17 R HN 0.519 nan 8.270 nan 0.000 0.435 18 F N -0.413 119.531 119.950 -0.010 0.000 2.695 18 F HA 0.350 4.854 4.527 -0.038 0.000 0.303 18 F C 1.264 177.061 175.800 -0.006 0.000 1.091 18 F CA -0.078 57.919 58.000 -0.005 0.000 1.300 18 F CB 0.067 39.066 39.000 -0.002 0.000 1.071 18 F HN 0.129 nan 8.300 nan 0.000 0.578 19 G N 1.139 109.990 108.800 0.086 0.000 2.379 19 G HA2 -0.021 3.919 3.960 -0.034 0.000 0.297 19 G HA3 -0.021 3.919 3.960 -0.034 0.000 0.297 19 G C 0.202 175.150 174.900 0.079 0.000 1.004 19 G CA 0.406 45.541 45.100 0.058 0.000 0.921 19 G HN 0.788 nan 8.290 nan 0.000 0.511 20 A N -1.149 121.738 122.820 0.112 0.000 2.533 20 A HA 0.844 5.144 4.320 -0.034 0.000 0.293 20 A C 0.225 177.858 177.584 0.082 0.000 1.228 20 A CA 0.025 52.117 52.037 0.091 0.000 0.689 20 A CB 0.756 19.815 19.000 0.098 0.000 1.303 20 A HN 0.694 nan 8.150 nan 0.000 0.444 21 K N 0.816 121.248 120.400 0.054 0.000 2.472 21 K HA 0.172 4.471 4.320 -0.034 0.000 0.280 21 K C 0.279 176.918 176.600 0.065 0.000 1.028 21 K CA 0.414 56.727 56.287 0.044 0.000 1.045 21 K CB 0.246 32.760 32.500 0.023 0.000 0.902 21 K HN 0.671 nan 8.250 nan 0.000 0.478 22 S N 4.488 120.224 115.700 0.061 0.000 2.525 22 S HA 0.109 4.559 4.470 -0.034 0.000 0.285 22 S C -0.082 174.552 174.600 0.057 0.000 1.283 22 S CA -0.530 57.713 58.200 0.072 0.000 1.072 22 S CB -0.059 63.168 63.200 0.046 0.000 0.867 22 S HN 0.447 nan 8.310 nan 0.000 0.492 23 I N 4.639 125.251 120.570 0.069 0.000 2.321 23 I HA 0.268 4.418 4.170 -0.034 0.000 0.291 23 I C 0.429 176.572 176.117 0.043 0.000 0.998 23 I CA -0.102 61.223 61.300 0.042 0.000 1.227 23 I CB 1.748 39.761 38.000 0.021 0.000 1.368 23 I HN 0.547 nan 8.210 nan 0.000 0.466 24 S N 3.001 118.716 115.700 0.025 0.000 2.562 24 S HA 0.234 4.684 4.470 -0.034 0.000 0.275 24 S C 1.273 175.876 174.600 0.004 0.000 1.281 24 S CA -0.191 58.019 58.200 0.016 0.000 1.045 24 S CB 0.827 64.032 63.200 0.009 0.000 0.962 24 S HN 0.790 nan 8.310 nan 0.000 0.503 25 T N 2.759 117.312 114.554 -0.001 0.000 3.067 25 T HA 0.160 4.490 4.350 -0.034 0.000 0.257 25 T C 1.656 176.344 174.700 -0.021 0.000 1.105 25 T CA 0.402 62.492 62.100 -0.016 0.000 1.104 25 T CB -0.321 68.535 68.868 -0.020 0.000 0.925 25 T HN 0.621 nan 8.240 nan 0.000 0.498 26 I N 1.461 122.023 120.570 -0.014 0.000 2.494 26 I HA 0.252 4.401 4.170 -0.034 0.000 0.250 26 I C 1.794 177.903 176.117 -0.013 0.000 1.112 26 I CA -0.015 61.276 61.300 -0.015 0.000 1.438 26 I CB -0.440 37.553 38.000 -0.013 0.000 1.111 26 I HN 0.225 nan 8.210 nan 0.000 0.431 27 A N 1.725 124.540 122.820 -0.009 0.000 2.524 27 A HA -0.001 4.299 4.320 -0.034 0.000 0.250 27 A C 1.000 178.576 177.584 -0.012 0.000 1.078 27 A CA 0.147 52.180 52.037 -0.007 0.000 0.761 27 A CB -0.245 18.754 19.000 -0.001 0.000 1.012 27 A HN 0.559 nan 8.150 nan 0.000 0.500 28 E N 1.493 121.685 120.200 -0.013 0.000 2.416 28 E HA -0.216 4.114 4.350 -0.034 0.000 0.249 28 E C 0.443 177.022 176.600 -0.035 0.000 1.124 28 E CA 0.815 57.203 56.400 -0.020 0.000 0.732 28 E CB -1.405 28.284 29.700 -0.018 0.000 1.286 28 E HN 1.184 nan 8.360 nan 0.000 0.394 29 S N -0.748 114.934 115.700 -0.030 0.000 2.572 29 S HA 0.259 4.709 4.470 -0.034 0.000 0.228 29 S C 1.076 175.660 174.600 -0.027 0.000 0.963 29 S CA -0.011 58.166 58.200 -0.038 0.000 0.939 29 S CB 0.629 63.810 63.200 -0.033 0.000 0.804 29 S HN 0.232 nan 8.310 nan 0.000 0.480 30 K N 1.379 121.769 120.400 -0.017 0.000 2.412 30 K HA 0.335 4.635 4.320 -0.034 0.000 0.202 30 K C 0.346 176.952 176.600 0.010 0.000 1.102 30 K CA -0.003 56.282 56.287 -0.004 0.000 1.027 30 K CB 0.611 33.110 32.500 -0.002 0.000 0.931 30 K HN 0.454 nan 8.250 nan 0.000 0.557 31 R N -0.757 119.748 120.500 0.008 0.000 2.854 31 R HA 0.313 4.632 4.340 -0.034 0.000 0.271 31 R C -0.802 175.529 176.300 0.051 0.000 0.996 31 R CA -0.951 55.173 56.100 0.040 0.000 0.961 31 R CB 0.633 30.949 30.300 0.028 0.000 1.182 31 R HN -0.143 nan 8.270 nan 0.000 0.479 32 F N 2.463 122.393 119.950 -0.032 0.000 2.484 32 F HA 0.218 4.725 4.527 -0.033 0.000 0.360 32 F C -1.764 174.007 175.800 -0.048 0.000 1.101 32 F CA -1.464 56.516 58.000 -0.034 0.000 1.251 32 F CB 0.571 39.552 39.000 -0.032 0.000 1.132 32 F HN 0.306 nan 8.300 nan 0.000 0.570 33 P HA 0.100 nan 4.420 nan 0.000 0.271 33 P C 0.484 177.752 177.300 -0.054 0.000 1.216 33 P CA 0.031 63.025 63.100 -0.177 0.000 0.776 33 P CB 0.751 32.302 31.700 -0.247 0.000 0.881 34 L N 0.979 122.108 121.223 -0.157 0.000 2.209 34 L HA 0.013 4.333 4.340 -0.034 0.000 0.207 34 L C 0.909 177.574 176.870 -0.341 0.000 1.094 34 L CA 0.964 55.619 54.840 -0.309 0.000 0.790 34 L CB -0.318 41.385 42.059 -0.594 0.000 0.932 34 L HN 0.474 nan 8.230 nan 0.000 0.447 35 H N -0.355 118.727 119.070 0.021 0.000 2.731 35 H HA 0.374 4.910 4.556 -0.034 0.000 0.368 35 H C -0.480 174.847 175.328 -0.002 0.000 1.168 35 H CA -0.902 55.152 56.048 0.010 0.000 1.181 35 H CB 1.051 30.813 29.762 -0.000 0.000 1.743 35 H HN 0.047 nan 8.280 nan 0.000 0.547 36 E N 1.361 121.650 120.200 0.149 0.000 2.392 36 E HA 0.346 4.675 4.350 -0.034 0.000 0.256 36 E C 0.015 176.638 176.600 0.039 0.000 1.145 36 E CA -0.378 56.061 56.400 0.065 0.000 0.929 36 E CB 1.611 31.337 29.700 0.044 0.000 0.998 36 E HN 0.386 nan 8.360 nan 0.000 0.442 37 M N 0.296 119.897 119.600 0.002 0.000 2.520 37 M HA 0.328 4.788 4.480 -0.034 0.000 0.280 37 M C -1.474 174.799 176.300 -0.044 0.000 1.232 37 M CA -0.647 54.634 55.300 -0.031 0.000 0.892 37 M CB 2.234 34.811 32.600 -0.039 0.000 1.728 37 M HN 0.348 nan 8.290 nan 0.000 0.475 38 R N 2.102 122.558 120.500 -0.072 0.000 2.537 38 R HA 0.063 4.383 4.340 -0.034 0.000 0.280 38 R C 0.257 176.526 176.300 -0.052 0.000 1.058 38 R CA -0.214 55.849 56.100 -0.063 0.000 1.057 38 R CB 0.342 30.594 30.300 -0.081 0.000 0.973 38 R HN 0.631 nan 8.270 nan 0.000 0.438 39 D N 2.181 122.567 120.400 -0.023 0.000 2.133 39 D HA -0.198 4.422 4.640 -0.034 0.000 0.192 39 D C 0.894 177.213 176.300 0.032 0.000 1.001 39 D CA 1.642 55.644 54.000 0.003 0.000 0.844 39 D CB 0.014 40.815 40.800 0.002 0.000 0.944 39 D HN 0.532 nan 8.370 nan 0.000 0.447 40 D N -0.161 120.248 120.400 0.014 0.000 2.178 40 D HA -0.075 4.545 4.640 -0.034 0.000 0.202 40 D C 2.262 178.597 176.300 0.059 0.000 0.974 40 D CA 0.194 54.233 54.000 0.065 0.000 0.841 40 D CB -0.161 40.656 40.800 0.029 0.000 0.953 40 D HN 0.075 nan 8.370 nan 0.000 0.478 41 V N 1.146 120.995 119.914 -0.108 0.000 2.307 41 V HA -0.221 3.878 4.120 -0.034 0.000 0.245 41 V C 2.492 178.492 176.094 -0.157 0.000 1.045 41 V CA 1.758 63.858 62.300 -0.335 0.000 1.024 41 V CB -0.792 30.693 31.823 -0.564 0.000 0.651 41 V HN 0.196 nan 8.190 nan 0.000 0.449 42 A N -0.364 122.415 122.820 -0.068 0.000 1.908 42 A HA -0.275 4.024 4.320 -0.034 0.000 0.218 42 A C 2.122 179.729 177.584 0.037 0.000 1.181 42 A CA 2.218 54.245 52.037 -0.016 0.000 0.627 42 A CB -0.754 18.245 19.000 -0.002 0.000 0.818 42 A HN 0.565 nan 8.150 nan 0.000 0.445 43 F N 0.400 120.338 119.950 -0.020 0.000 2.102 43 F HA -0.186 4.328 4.527 -0.021 0.000 0.298 43 F C 2.404 178.235 175.800 0.052 0.000 1.105 43 F CA 2.267 60.273 58.000 0.010 0.000 1.239 43 F CB -0.466 38.539 39.000 0.009 0.000 0.991 43 F HN 0.299 nan 8.300 nan 0.000 0.474 44 Q N 0.246 120.051 119.800 0.008 0.000 2.124 44 Q HA -0.167 4.153 4.340 -0.034 0.000 0.202 44 Q C 2.327 178.333 176.000 0.009 0.000 0.977 44 Q CA 2.030 57.844 55.803 0.018 0.000 0.850 44 Q CB -0.227 28.712 28.738 0.336 0.000 0.901 44 Q HN 0.539 nan 8.270 nan 0.000 0.429 45 I N 0.041 120.652 120.570 0.069 0.000 2.286 45 I HA -0.289 3.860 4.170 -0.034 0.000 0.248 45 I C 1.934 178.036 176.117 -0.025 0.000 1.115 45 I CA 1.040 62.390 61.300 0.083 0.000 1.392 45 I CB -0.063 37.986 38.000 0.082 0.000 1.065 45 I HN 0.233 nan 8.210 nan 0.000 0.418 46 I N 0.275 120.781 120.570 -0.108 0.000 2.193 46 I HA -0.273 3.876 4.170 -0.034 0.000 0.240 46 I C 2.304 178.312 176.117 -0.183 0.000 1.084 46 I CA 1.353 62.572 61.300 -0.135 0.000 1.365 46 I CB -0.541 37.370 38.000 -0.148 0.000 1.064 46 I HN 0.267 nan 8.210 nan 0.000 0.410 47 N N 1.378 119.860 118.700 -0.363 0.000 2.060 47 N HA -0.265 4.455 4.740 -0.034 0.000 0.195 47 N C 1.484 176.996 175.510 0.004 0.000 1.028 47 N CA 2.046 54.901 53.050 -0.325 0.000 0.861 47 N CB -0.114 38.016 38.487 -0.595 0.000 1.029 47 N HN 0.179 nan 8.380 nan 0.000 0.428 48 D N 0.123 120.546 120.400 0.038 0.000 2.144 48 D HA -0.118 4.502 4.640 -0.034 0.000 0.199 48 D C 1.682 178.051 176.300 0.116 0.000 0.984 48 D CA 0.800 54.867 54.000 0.111 0.000 0.834 48 D CB -0.249 40.542 40.800 -0.014 0.000 0.955 48 D HN 0.511 nan 8.370 nan 0.000 0.465 49 E N 0.082 120.303 120.200 0.034 0.000 2.110 49 E HA -0.098 4.232 4.350 -0.034 0.000 0.193 49 E C 2.162 178.777 176.600 0.024 0.000 0.988 49 E CA 0.417 56.826 56.400 0.016 0.000 0.804 49 E CB -0.070 29.619 29.700 -0.019 0.000 0.745 49 E HN 0.334 nan 8.360 nan 0.000 0.458 50 L N 0.155 121.377 121.223 -0.002 0.000 2.465 50 L HA -0.121 4.199 4.340 -0.034 0.000 0.224 50 L C 1.761 178.580 176.870 -0.086 0.000 1.145 50 L CA 0.448 55.248 54.840 -0.066 0.000 0.834 50 L CB -0.304 41.675 42.059 -0.133 0.000 0.944 50 L HN 0.142 nan 8.230 nan 0.000 0.451 51 Y N -0.207 120.054 120.300 -0.064 0.000 2.497 51 Y HA -0.155 4.373 4.550 -0.037 0.000 0.292 51 Y C 2.175 178.045 175.900 -0.050 0.000 1.137 51 Y CA 0.874 58.942 58.100 -0.054 0.000 1.285 51 Y CB -0.211 38.218 38.460 -0.053 0.000 0.991 51 Y HN 0.145 nan 8.280 nan 0.000 0.556 52 L N -0.647 120.623 121.223 0.079 0.000 2.478 52 L HA -0.067 4.253 4.340 -0.034 0.000 0.223 52 L C 0.188 177.052 176.870 -0.010 0.000 1.140 52 L CA 0.212 55.068 54.840 0.027 0.000 0.842 52 L CB -0.285 41.780 42.059 0.010 0.000 0.953 52 L HN 0.027 nan 8.230 nan 0.000 0.452 53 D N 0.430 120.810 120.400 -0.034 0.000 2.372 53 D HA 0.224 4.843 4.640 -0.034 0.000 0.243 53 D C 0.505 176.773 176.300 -0.052 0.000 1.121 53 D CA 0.249 54.217 54.000 -0.053 0.000 0.898 53 D CB 1.301 42.056 40.800 -0.075 0.000 1.202 53 D HN 0.049 nan 8.370 nan 0.000 0.428 54 G N 0.551 109.321 108.800 -0.050 0.000 2.606 54 G HA2 0.098 4.038 3.960 -0.034 0.000 0.252 54 G HA3 0.098 4.038 3.960 -0.034 0.000 0.252 54 G C 0.844 175.711 174.900 -0.056 0.000 1.206 54 G CA -0.461 44.610 45.100 -0.049 0.000 0.861 54 G HN 0.561 nan 8.290 nan 0.000 0.561 55 N N -0.950 117.718 118.700 -0.053 0.000 2.280 55 N HA 0.247 4.967 4.740 -0.034 0.000 0.192 55 N C 1.390 176.877 175.510 -0.039 0.000 1.109 55 N CA 0.979 53.998 53.050 -0.051 0.000 0.855 55 N CB 0.440 38.897 38.487 -0.049 0.000 0.974 55 N HN 1.230 nan 8.380 nan 0.000 0.482 56 A N -0.155 122.642 122.820 -0.038 0.000 3.721 56 A HA -0.318 3.982 4.320 -0.034 0.000 0.270 56 A C 1.695 179.264 177.584 -0.024 0.000 1.036 56 A CA 1.403 53.423 52.037 -0.027 0.000 1.102 56 A CB -1.852 17.136 19.000 -0.020 0.000 1.100 56 A HN 0.291 nan 8.150 nan 0.000 0.887 57 R N -0.243 120.241 120.500 -0.027 0.000 2.159 57 R HA -0.107 4.213 4.340 -0.034 0.000 0.237 57 R C 1.631 177.924 176.300 -0.012 0.000 1.131 57 R CA 1.774 57.861 56.100 -0.022 0.000 0.982 57 R CB -0.404 29.882 30.300 -0.024 0.000 0.868 57 R HN 0.890 nan 8.270 nan 0.000 0.453 58 Q N 0.263 120.028 119.800 -0.059 0.000 2.220 58 Q HA 0.086 4.406 4.340 -0.034 0.000 0.205 58 Q C -0.098 175.955 176.000 0.089 0.000 0.865 58 Q CA -0.295 55.465 55.803 -0.072 0.000 0.960 58 Q CB 0.354 28.814 28.738 -0.463 0.000 1.097 58 Q HN 0.106 nan 8.270 nan 0.000 0.493 59 N N 1.222 119.934 118.700 0.020 0.000 2.420 59 N HA 0.106 4.826 4.740 -0.034 0.000 0.249 59 N C -0.081 175.402 175.510 -0.043 0.000 1.033 59 N CA 0.065 53.124 53.050 0.015 0.000 0.944 59 N CB 0.756 39.243 38.487 0.000 0.000 1.113 59 N HN 0.230 nan 8.380 nan 0.000 0.502 60 L N 2.530 123.724 121.223 -0.048 0.000 2.818 60 L HA 0.273 4.593 4.340 -0.034 0.000 0.243 60 L C 1.599 178.380 176.870 -0.148 0.000 1.185 60 L CA -0.084 54.651 54.840 -0.174 0.000 0.988 60 L CB 0.166 42.083 42.059 -0.237 0.000 1.292 60 L HN 0.492 nan 8.230 nan 0.000 0.519 61 A N -0.759 122.012 122.820 -0.081 0.000 2.095 61 A HA 0.058 4.358 4.320 -0.034 0.000 0.212 61 A C 1.239 178.737 177.584 -0.144 0.000 1.162 61 A CA 0.585 52.573 52.037 -0.082 0.000 0.753 61 A CB 0.094 19.110 19.000 0.027 0.000 0.840 61 A HN 0.258 nan 8.150 nan 0.000 0.468 62 T N -2.413 112.084 114.554 -0.096 0.000 2.934 62 T HA 0.509 4.839 4.350 -0.034 0.000 0.283 62 T C 0.254 174.873 174.700 -0.135 0.000 1.005 62 T CA -0.439 61.649 62.100 -0.019 0.000 1.041 62 T CB 0.371 69.285 68.868 0.078 0.000 1.042 62 T HN 0.160 nan 8.240 nan 0.000 0.505 63 F N 0.914 120.840 119.950 -0.040 0.000 2.530 63 F HA 0.283 4.789 4.527 -0.035 0.000 0.292 63 F C 1.726 177.436 175.800 -0.150 0.000 1.109 63 F CA -0.336 57.604 58.000 -0.099 0.000 1.450 63 F CB 0.061 39.043 39.000 -0.031 0.000 1.114 63 F HN 0.424 nan 8.300 nan 0.000 0.560 64 C N 1.635 121.013 119.300 0.128 0.000 2.604 64 C HA 0.192 4.631 4.460 -0.034 0.000 0.396 64 C C 0.603 175.595 174.990 0.003 0.000 1.282 64 C CA -1.231 57.826 59.018 0.065 0.000 2.292 64 C CB 0.089 27.834 27.740 0.009 0.000 2.633 64 C HN 0.210 nan 8.230 nan 0.000 0.620 65 Q N 1.564 121.373 119.800 0.015 0.000 2.263 65 Q HA 0.069 4.389 4.340 -0.034 0.000 0.289 65 Q C 1.158 177.178 176.000 0.034 0.000 1.061 65 Q CA 0.812 56.633 55.803 0.030 0.000 0.927 65 Q CB 0.486 29.262 28.738 0.063 0.000 1.154 65 Q HN 1.014 nan 8.270 nan 0.000 0.378 66 T N -2.263 112.330 114.554 0.065 0.000 2.975 66 T HA 0.086 4.416 4.350 -0.034 0.000 0.261 66 T C 0.166 174.942 174.700 0.126 0.000 0.984 66 T CA -0.555 61.581 62.100 0.060 0.000 0.911 66 T CB 0.096 68.983 68.868 0.032 0.000 1.127 66 T HN 0.455 nan 8.240 nan 0.000 0.514 67 W N 2.967 124.253 121.300 -0.022 0.000 2.184 67 W HA 0.497 5.146 4.660 -0.018 0.000 0.338 67 W C -0.905 175.634 176.519 0.034 0.000 1.257 67 W CA -0.382 56.960 57.345 -0.005 0.000 1.243 67 W CB 0.574 30.029 29.460 -0.010 0.000 1.122 67 W HN 0.048 nan 8.180 nan 0.000 0.585 68 D N 3.024 122.981 120.400 -0.739 0.000 2.362 68 D HA 0.112 4.731 4.640 -0.034 0.000 0.247 68 D C -1.466 174.196 176.300 -1.062 0.000 1.050 68 D CA -0.359 53.309 54.000 -0.553 0.000 0.839 68 D CB 1.959 42.580 40.800 -0.299 0.000 1.283 68 D HN 0.223 nan 8.370 nan 0.000 0.477 69 D N 1.261 121.383 120.400 -0.463 0.000 2.696 69 D HA 0.035 4.654 4.640 -0.034 0.000 0.251 69 D C 0.671 176.926 176.300 -0.074 0.000 1.188 69 D CA -0.426 53.377 54.000 -0.327 0.000 0.876 69 D CB 1.697 42.501 40.800 0.007 0.000 1.334 69 D HN 0.287 nan 8.370 nan 0.000 0.540 70 E N 2.550 122.672 120.200 -0.130 0.000 2.130 70 E HA -0.245 4.085 4.350 -0.034 0.000 0.196 70 E C 0.768 177.342 176.600 -0.044 0.000 0.998 70 E CA 1.029 57.367 56.400 -0.103 0.000 0.806 70 E CB 0.287 29.922 29.700 -0.109 0.000 0.738 70 E HN 0.422 nan 8.360 nan 0.000 0.459 71 N N -0.102 118.559 118.700 -0.065 0.000 2.244 71 N HA -0.120 4.600 4.740 -0.034 0.000 0.183 71 N C 1.792 177.134 175.510 -0.280 0.000 1.016 71 N CA 0.721 53.650 53.050 -0.202 0.000 0.866 71 N CB -0.194 38.108 38.487 -0.309 0.000 0.980 71 N HN 0.045 nan 8.380 nan 0.000 0.430 72 V N 1.147 120.972 119.914 -0.149 0.000 2.453 72 V HA -0.166 3.934 4.120 -0.034 0.000 0.247 72 V C 2.029 178.051 176.094 -0.120 0.000 1.048 72 V CA 1.248 63.470 62.300 -0.130 0.000 1.049 72 V CB -0.543 31.278 31.823 -0.003 0.000 0.672 72 V HN 0.425 nan 8.190 nan 0.000 0.457 73 H N 0.514 119.508 119.070 -0.127 0.000 2.352 73 H HA -0.132 4.405 4.556 -0.033 0.000 0.299 73 H C 2.381 177.648 175.328 -0.101 0.000 1.097 73 H CA 1.628 57.612 56.048 -0.107 0.000 1.311 73 H CB 0.102 29.799 29.762 -0.108 0.000 1.377 73 H HN 0.434 nan 8.280 nan 0.000 0.504 74 K N 0.646 121.049 120.400 0.005 0.000 2.002 74 K HA -0.097 4.203 4.320 -0.034 0.000 0.209 74 K C 2.466 179.025 176.600 -0.068 0.000 1.048 74 K CA 0.769 57.032 56.287 -0.040 0.000 0.930 74 K CB -0.210 32.252 32.500 -0.063 0.000 0.714 74 K HN 0.188 nan 8.250 nan 0.000 0.438 75 L N 0.636 121.791 121.223 -0.114 0.000 2.042 75 L HA -0.210 4.110 4.340 -0.034 0.000 0.210 75 L C 2.693 179.516 176.870 -0.077 0.000 1.076 75 L CA 0.973 55.752 54.840 -0.101 0.000 0.749 75 L CB -0.413 41.563 42.059 -0.138 0.000 0.893 75 L HN 0.238 nan 8.230 nan 0.000 0.432 76 M N -0.562 118.982 119.600 -0.093 0.000 2.117 76 M HA -0.245 4.215 4.480 -0.034 0.000 0.262 76 M C 1.898 178.156 176.300 -0.071 0.000 1.065 76 M CA 1.790 57.035 55.300 -0.093 0.000 1.114 76 M CB -1.118 31.398 32.600 -0.139 0.000 1.361 76 M HN 0.244 nan 8.290 nan 0.000 0.408 77 D N 0.038 120.405 120.400 -0.056 0.000 2.183 77 D HA -0.063 4.557 4.640 -0.034 0.000 0.203 77 D C 2.081 178.360 176.300 -0.034 0.000 0.969 77 D CA 0.616 54.593 54.000 -0.038 0.000 0.842 77 D CB 0.107 40.895 40.800 -0.019 0.000 0.957 77 D HN 0.278 nan 8.370 nan 0.000 0.484 78 L N -0.227 120.975 121.223 -0.035 0.000 2.191 78 L HA -0.074 4.246 4.340 -0.034 0.000 0.212 78 L C 1.739 178.586 176.870 -0.038 0.000 1.103 78 L CA 0.874 55.697 54.840 -0.028 0.000 0.769 78 L CB -0.052 41.992 42.059 -0.024 0.000 0.908 78 L HN 0.012 nan 8.230 nan 0.000 0.438 79 S N -0.954 114.715 115.700 -0.053 0.000 2.540 79 S HA 0.136 4.586 4.470 -0.034 0.000 0.218 79 S C 1.715 176.261 174.600 -0.089 0.000 0.977 79 S CA -0.291 57.862 58.200 -0.077 0.000 0.918 79 S CB 0.220 63.378 63.200 -0.070 0.000 0.806 79 S HN 0.286 nan 8.310 nan 0.000 0.496 80 I N 2.230 122.760 120.570 -0.066 0.000 2.290 80 I HA -0.291 3.859 4.170 -0.034 0.000 0.253 80 I C 0.762 176.841 176.117 -0.063 0.000 1.112 80 I CA 1.356 62.622 61.300 -0.057 0.000 1.377 80 I CB 0.096 38.074 38.000 -0.036 0.000 1.060 80 I HN 0.229 nan 8.210 nan 0.000 0.428 81 N N 0.524 119.177 118.700 -0.079 0.000 2.184 81 N HA 0.121 4.841 4.740 -0.034 0.000 0.206 81 N C -0.308 175.070 175.510 -0.220 0.000 1.151 81 N CA 0.144 53.149 53.050 -0.075 0.000 0.878 81 N CB 0.346 38.830 38.487 -0.005 0.000 1.014 81 N HN 0.244 nan 8.380 nan 0.000 0.512 82 K N 1.621 121.808 120.400 -0.356 0.000 2.310 82 K HA 0.132 4.432 4.320 -0.034 0.000 0.290 82 K C -0.214 176.055 176.600 -0.551 0.000 1.077 82 K CA -0.326 55.480 56.287 -0.802 0.000 0.922 82 K CB 0.391 32.571 32.500 -0.532 0.000 1.057 82 K HN -0.082 nan 8.250 nan 0.000 0.479 83 N N 3.102 121.424 118.700 -0.630 0.000 2.402 83 N HA -0.041 4.679 4.740 -0.034 0.000 0.252 83 N C 0.481 176.016 175.510 0.043 0.000 1.118 83 N CA -0.294 52.703 53.050 -0.087 0.000 0.945 83 N CB 0.336 38.900 38.487 0.130 0.000 1.147 83 N HN 0.629 nan 8.380 nan 0.000 0.495 84 W N 5.169 126.397 121.300 -0.120 0.000 2.308 84 W HA -0.203 4.436 4.660 -0.035 0.000 0.301 84 W C 1.464 177.938 176.519 -0.074 0.000 1.220 84 W CA 0.880 58.172 57.345 -0.087 0.000 1.240 84 W CB -0.141 29.264 29.460 -0.092 0.000 1.142 84 W HN 0.617 nan 8.180 nan 0.000 0.521 85 I N 0.601 121.074 120.570 -0.162 0.000 2.928 85 I HA -0.065 4.085 4.170 -0.034 0.000 0.266 85 I C 0.437 176.410 176.117 -0.241 0.000 1.234 85 I CA 1.148 62.175 61.300 -0.456 0.000 1.483 85 I CB -0.629 36.942 38.000 -0.715 0.000 1.097 85 I HN -0.200 nan 8.210 nan 0.000 0.455 86 D N 0.248 120.618 120.400 -0.050 0.000 2.524 86 D HA 0.084 4.704 4.640 -0.034 0.000 0.222 86 D C 1.129 177.436 176.300 0.011 0.000 1.142 86 D CA -0.027 54.031 54.000 0.096 0.000 0.973 86 D CB 0.650 41.573 40.800 0.205 0.000 1.025 86 D HN -0.108 nan 8.370 nan 0.000 0.519 87 K N 1.197 121.462 120.400 -0.226 0.000 2.288 87 K HA -0.039 4.260 4.320 -0.034 0.000 0.201 87 K C 1.587 178.030 176.600 -0.261 0.000 1.048 87 K CA 0.598 56.638 56.287 -0.411 0.000 0.956 87 K CB 0.184 32.127 32.500 -0.928 0.000 0.746 87 K HN 0.442 nan 8.250 nan 0.000 0.461 88 E N 0.056 120.172 120.200 -0.140 0.000 2.033 88 E HA -0.169 4.161 4.350 -0.034 0.000 0.189 88 E C 1.592 178.103 176.600 -0.148 0.000 0.979 88 E CA 0.947 57.301 56.400 -0.076 0.000 0.802 88 E CB 0.100 29.830 29.700 0.049 0.000 0.763 88 E HN 0.161 nan 8.360 nan 0.000 0.449 89 E N -0.672 119.372 120.200 -0.259 0.000 2.208 89 E HA -0.105 4.224 4.350 -0.034 0.000 0.193 89 E C -0.342 175.888 176.600 -0.618 0.000 0.988 89 E CA 0.810 56.896 56.400 -0.524 0.000 0.828 89 E CB 0.161 29.351 29.700 -0.850 0.000 0.763 89 E HN 0.274 nan 8.360 nan 0.000 0.478 90 Y N -0.348 119.926 120.300 -0.043 0.000 2.562 90 Y HA 0.316 4.846 4.550 -0.033 0.000 0.363 90 Y C -1.912 173.948 175.900 -0.068 0.000 0.991 90 Y CA -2.266 55.809 58.100 -0.041 0.000 1.121 90 Y CB 1.192 39.636 38.460 -0.027 0.000 1.159 90 Y HN 0.078 nan 8.280 nan 0.000 0.651 91 P HA -0.106 nan 4.420 nan 0.000 0.227 91 P C 1.327 178.619 177.300 -0.013 0.000 1.161 91 P CA 0.981 64.061 63.100 -0.034 0.000 0.788 91 P CB 0.751 32.420 31.700 -0.051 0.000 0.822 92 Q N 0.443 120.256 119.800 0.022 0.000 2.096 92 Q HA -0.008 4.312 4.340 -0.034 0.000 0.197 92 Q C 2.384 178.393 176.000 0.015 0.000 0.964 92 Q CA 1.533 57.347 55.803 0.018 0.000 0.838 92 Q CB -1.037 27.721 28.738 0.034 0.000 0.906 92 Q HN 0.064 nan 8.270 nan 0.000 0.444 93 S N 0.594 116.322 115.700 0.047 0.000 2.359 93 S HA -0.258 4.191 4.470 -0.034 0.000 0.223 93 S C 1.948 176.566 174.600 0.030 0.000 1.039 93 S CA 1.296 59.523 58.200 0.046 0.000 1.042 93 S CB -0.778 62.458 63.200 0.060 0.000 0.915 93 S HN 0.587 nan 8.310 nan 0.000 0.439 94 A N 1.723 124.540 122.820 -0.005 0.000 1.903 94 A HA -0.118 4.182 4.320 -0.034 0.000 0.219 94 A C 2.387 179.944 177.584 -0.045 0.000 1.191 94 A CA 2.168 54.165 52.037 -0.067 0.000 0.638 94 A CB -1.283 17.635 19.000 -0.137 0.000 0.823 94 A HN 0.579 nan 8.150 nan 0.000 0.451 95 A N -0.461 122.331 122.820 -0.047 0.000 1.902 95 A HA -0.082 4.217 4.320 -0.034 0.000 0.217 95 A C 2.161 179.692 177.584 -0.088 0.000 1.181 95 A CA 1.570 53.575 52.037 -0.055 0.000 0.623 95 A CB -0.589 18.382 19.000 -0.048 0.000 0.818 95 A HN 0.512 nan 8.150 nan 0.000 0.443 96 I N -0.248 120.248 120.570 -0.123 0.000 2.179 96 I HA -0.258 3.891 4.170 -0.034 0.000 0.242 96 I C 2.316 178.352 176.117 -0.136 0.000 1.088 96 I CA 1.853 62.982 61.300 -0.286 0.000 1.357 96 I CB -0.358 37.494 38.000 -0.247 0.000 1.051 96 I HN 0.451 nan 8.210 nan 0.000 0.409 97 D N 1.084 121.517 120.400 0.054 0.000 2.116 97 D HA -0.215 4.405 4.640 -0.034 0.000 0.193 97 D C 2.186 178.618 176.300 0.220 0.000 0.998 97 D CA 1.629 55.772 54.000 0.237 0.000 0.836 97 D CB -0.124 40.876 40.800 0.333 0.000 0.951 97 D HN 0.263 nan 8.370 nan 0.000 0.449 98 L N -0.378 120.911 121.223 0.110 0.000 2.093 98 L HA -0.070 4.249 4.340 -0.034 0.000 0.208 98 L C 2.777 179.680 176.870 0.054 0.000 1.085 98 L CA 0.944 55.839 54.840 0.092 0.000 0.755 98 L CB -0.367 41.717 42.059 0.041 0.000 0.904 98 L HN 0.059 nan 8.230 nan 0.000 0.435 99 R N -0.696 119.801 120.500 -0.005 0.000 2.070 99 R HA -0.159 4.160 4.340 -0.034 0.000 0.233 99 R C 2.431 178.767 176.300 0.060 0.000 1.137 99 R CA 1.731 57.831 56.100 0.000 0.000 0.945 99 R CB -1.017 29.239 30.300 -0.074 0.000 0.845 99 R HN 0.370 nan 8.270 nan 0.000 0.430 100 C N 0.472 119.830 119.300 0.097 0.000 2.385 100 C HA -0.125 4.315 4.460 -0.034 0.000 0.275 100 C C 2.789 177.694 174.990 -0.143 0.000 1.207 100 C CA 0.617 59.695 59.018 0.099 0.000 1.760 100 C CB -0.881 26.939 27.740 0.133 0.000 2.051 100 C HN 0.323 nan 8.230 nan 0.000 0.467 101 V N 1.752 121.665 119.914 -0.002 0.000 2.287 101 V HA -0.249 3.851 4.120 -0.034 0.000 0.248 101 V C 2.290 178.342 176.094 -0.070 0.000 1.053 101 V CA 2.269 64.582 62.300 0.022 0.000 1.027 101 V CB -0.657 31.290 31.823 0.206 0.000 0.646 101 V HN 0.547 nan 8.190 nan 0.000 0.447 102 N N -0.335 118.340 118.700 -0.041 0.000 2.120 102 N HA -0.133 4.587 4.740 -0.034 0.000 0.188 102 N C 1.810 177.228 175.510 -0.153 0.000 1.024 102 N CA 1.692 54.699 53.050 -0.073 0.000 0.852 102 N CB -0.331 38.136 38.487 -0.033 0.000 1.003 102 N HN 0.447 nan 8.380 nan 0.000 0.424 103 M N 0.045 119.546 119.600 -0.164 0.000 2.099 103 M HA -0.102 4.358 4.480 -0.034 0.000 0.262 103 M C 2.138 178.148 176.300 -0.483 0.000 1.067 103 M CA 1.067 56.206 55.300 -0.267 0.000 1.124 103 M CB -0.276 32.207 32.600 -0.196 0.000 1.353 103 M HN -0.105 nan 8.290 nan 0.000 0.410 104 V N 0.619 120.190 119.914 -0.573 0.000 2.287 104 V HA -0.286 3.814 4.120 -0.034 0.000 0.248 104 V C 2.683 178.260 176.094 -0.862 0.000 1.053 104 V CA 2.055 63.821 62.300 -0.891 0.000 1.027 104 V CB -1.386 29.859 31.823 -0.964 0.000 0.646 104 V HN 0.534 nan 8.190 nan 0.000 0.447 105 A N 0.306 122.850 122.820 -0.459 0.000 1.873 105 A HA -0.381 3.919 4.320 -0.034 0.000 0.218 105 A C 2.055 179.495 177.584 -0.240 0.000 1.193 105 A CA 2.586 54.482 52.037 -0.235 0.000 0.629 105 A CB -0.974 17.944 19.000 -0.137 0.000 0.826 105 A HN 0.627 nan 8.150 nan 0.000 0.447 106 D N -0.820 119.416 120.400 -0.274 0.000 2.116 106 D HA -0.190 4.429 4.640 -0.034 0.000 0.193 106 D C 1.731 177.805 176.300 -0.377 0.000 0.998 106 D CA 1.552 55.390 54.000 -0.269 0.000 0.836 106 D CB -0.248 40.411 40.800 -0.234 0.000 0.951 106 D HN 0.248 nan 8.370 nan 0.000 0.449 107 L N -0.389 120.539 121.223 -0.490 0.000 2.129 107 L HA -0.110 4.210 4.340 -0.034 0.000 0.212 107 L C 1.014 177.642 176.870 -0.403 0.000 1.087 107 L CA 1.294 55.812 54.840 -0.537 0.000 0.757 107 L CB -0.358 41.258 42.059 -0.740 0.000 0.896 107 L HN 0.308 nan 8.230 nan 0.000 0.434 108 W N -0.339 120.752 121.300 -0.347 0.000 3.223 108 W HA 0.268 4.907 4.660 -0.034 0.000 0.389 108 W C 0.426 176.894 176.519 -0.085 0.000 1.118 108 W CA -0.392 56.775 57.345 -0.297 0.000 1.902 108 W CB -1.126 28.186 29.460 -0.248 0.000 1.094 108 W HN 0.324 nan 8.180 nan 0.000 0.666 109 H N -1.060 118.045 119.070 0.059 0.000 2.839 109 H HA -0.148 4.388 4.556 -0.033 0.000 0.298 109 H C 0.873 176.233 175.328 0.052 0.000 1.224 109 H CA 0.842 56.897 56.048 0.010 0.000 1.144 109 H CB -1.706 28.017 29.762 -0.064 0.000 1.372 109 H HN 0.116 nan 8.280 nan 0.000 0.408 110 A N 1.399 124.248 122.820 0.048 0.000 2.520 110 A HA 0.340 4.640 4.320 -0.034 0.000 0.245 110 A C -1.539 175.952 177.584 -0.156 0.000 1.072 110 A CA -0.848 51.029 52.037 -0.267 0.000 0.761 110 A CB 0.192 18.951 19.000 -0.402 0.000 1.004 110 A HN 0.050 nan 8.150 nan 0.000 0.499 111 P HA 0.206 nan 4.420 nan 0.000 0.262 111 P C 0.034 177.280 177.300 -0.090 0.000 1.182 111 P CA 0.480 63.527 63.100 -0.089 0.000 0.761 111 P CB 0.400 32.051 31.700 -0.081 0.000 0.795 112 A N 5.789 128.573 122.820 -0.059 0.000 2.566 112 A HA 0.214 4.513 4.320 -0.034 0.000 0.245 112 A C -1.718 175.837 177.584 -0.049 0.000 1.056 112 A CA -0.589 51.416 52.037 -0.053 0.000 0.757 112 A CB -1.338 17.640 19.000 -0.037 0.000 0.979 112 A HN 0.411 nan 8.150 nan 0.000 0.508 113 P HA 0.200 nan 4.420 nan 0.000 0.276 113 P C 0.673 177.958 177.300 -0.025 0.000 1.230 113 P CA -0.436 62.642 63.100 -0.037 0.000 0.776 113 P CB 0.778 32.460 31.700 -0.030 0.000 0.888 114 K N 2.148 122.536 120.400 -0.021 0.000 2.074 114 K HA -0.181 4.118 4.320 -0.034 0.000 0.209 114 K C 1.249 177.842 176.600 -0.012 0.000 1.048 114 K CA 1.748 58.026 56.287 -0.016 0.000 0.926 114 K CB -0.115 32.377 32.500 -0.014 0.000 0.713 114 K HN 0.572 nan 8.250 nan 0.000 0.444 115 N N -0.887 117.806 118.700 -0.010 0.000 2.268 115 N HA 0.020 4.740 4.740 -0.034 0.000 0.204 115 N C 0.706 176.213 175.510 -0.006 0.000 1.124 115 N CA 0.884 53.930 53.050 -0.007 0.000 0.838 115 N CB 0.757 39.241 38.487 -0.005 0.000 0.994 115 N HN 0.266 nan 8.380 nan 0.000 0.489 116 G N -0.307 108.488 108.800 -0.009 0.000 2.143 116 G HA2 -0.290 3.650 3.960 -0.034 0.000 0.249 116 G HA3 -0.290 3.650 3.960 -0.034 0.000 0.249 116 G C -0.290 174.607 174.900 -0.006 0.000 0.981 116 G CA 0.462 45.556 45.100 -0.009 0.000 0.665 116 G HN 0.683 nan 8.290 nan 0.000 0.528 117 Q N -0.002 119.796 119.800 -0.002 0.000 2.269 117 Q HA 0.738 5.058 4.340 -0.034 0.000 0.263 117 Q C 0.004 176.013 176.000 0.015 0.000 0.983 117 Q CA 0.352 56.160 55.803 0.009 0.000 0.777 117 Q CB 1.308 30.056 28.738 0.017 0.000 1.273 117 Q HN 1.233 nan 8.270 nan 0.000 0.440 118 A N 2.831 125.661 122.820 0.017 0.000 2.407 118 A HA 0.489 4.789 4.320 -0.034 0.000 0.248 118 A C -0.413 177.224 177.584 0.087 0.000 1.082 118 A CA -0.398 51.653 52.037 0.023 0.000 0.785 118 A CB 0.562 19.560 19.000 -0.004 0.000 1.020 118 A HN 0.600 nan 8.150 nan 0.000 0.489 119 V N 2.592 122.574 119.914 0.112 0.000 2.370 119 V HA 0.558 4.658 4.120 -0.034 0.000 0.257 119 V C 0.906 177.251 176.094 0.419 0.000 1.064 119 V CA 0.963 63.386 62.300 0.205 0.000 0.975 119 V CB -0.493 31.429 31.823 0.165 0.000 1.067 119 V HN 1.283 nan 8.190 nan 0.000 0.485 120 G N 2.897 111.964 108.800 0.444 0.000 2.550 120 G HA2 0.648 4.588 3.960 -0.034 0.000 0.293 120 G HA3 0.648 4.588 3.960 -0.034 0.000 0.293 120 G C -1.141 174.087 174.900 0.547 0.000 1.402 120 G CA -0.208 45.246 45.100 0.591 0.000 0.784 120 G HN 0.543 nan 8.290 nan 0.000 0.482 121 T N -0.518 114.379 114.554 0.571 0.000 2.889 121 T HA 0.448 4.777 4.350 -0.034 0.000 0.315 121 T C -0.986 173.954 174.700 0.400 0.000 1.291 121 T CA -0.717 61.688 62.100 0.509 0.000 1.028 121 T CB 1.624 70.790 68.868 0.497 0.000 1.235 121 T HN 0.691 nan 8.240 nan 0.000 0.491 122 N N 1.433 120.275 118.700 0.237 0.000 2.503 122 N HA 0.438 5.158 4.740 -0.034 0.000 0.267 122 N C -0.258 174.996 175.510 -0.426 0.000 1.214 122 N CA 0.207 53.035 53.050 -0.371 0.000 0.959 122 N CB 1.078 39.249 38.487 -0.526 0.000 1.142 122 N HN 0.848 nan 8.380 nan 0.000 0.455 123 T N -0.404 113.820 114.554 -0.550 0.000 2.812 123 T HA 0.362 4.691 4.350 -0.034 0.000 0.294 123 T C 1.399 175.847 174.700 -0.420 0.000 1.159 123 T CA -0.815 61.043 62.100 -0.403 0.000 1.008 123 T CB 0.801 69.535 68.868 -0.222 0.000 1.289 123 T HN 0.252 nan 8.240 nan 0.000 0.514 124 I N 0.722 121.120 120.570 -0.285 0.000 2.439 124 I HA 0.242 4.391 4.170 -0.034 0.000 0.251 124 I C 1.437 177.500 176.117 -0.089 0.000 1.139 124 I CA 1.557 62.738 61.300 -0.198 0.000 1.438 124 I CB -1.015 36.906 38.000 -0.132 0.000 1.085 124 I HN 1.002 nan 8.210 nan 0.000 0.427 125 G N -1.607 107.142 108.800 -0.086 0.000 2.554 125 G HA2 0.222 4.162 3.960 -0.034 0.000 0.306 125 G HA3 0.222 4.162 3.960 -0.034 0.000 0.306 125 G C 0.220 175.068 174.900 -0.086 0.000 1.320 125 G CA 0.062 45.151 45.100 -0.019 0.000 0.800 125 G HN -0.144 nan 8.290 nan 0.000 0.481 126 S N -0.488 115.173 115.700 -0.065 0.000 2.419 126 S HA -0.083 4.367 4.470 -0.034 0.000 0.233 126 S C 2.562 177.105 174.600 -0.096 0.000 1.016 126 S CA 1.792 59.965 58.200 -0.045 0.000 0.974 126 S CB -0.225 62.970 63.200 -0.009 0.000 0.786 126 S HN 0.543 nan 8.310 nan 0.000 0.492 127 S N 0.992 116.641 115.700 -0.086 0.000 2.351 127 S HA -0.194 4.256 4.470 -0.034 0.000 0.220 127 S C 1.934 176.445 174.600 -0.149 0.000 1.035 127 S CA 1.696 59.819 58.200 -0.129 0.000 1.031 127 S CB -0.389 62.776 63.200 -0.059 0.000 0.928 127 S HN 0.675 nan 8.310 nan 0.000 0.433 128 E N 0.518 120.658 120.200 -0.100 0.000 2.038 128 E HA -0.182 4.148 4.350 -0.034 0.000 0.195 128 E C 2.145 178.651 176.600 -0.156 0.000 1.000 128 E CA 1.198 57.535 56.400 -0.104 0.000 0.803 128 E CB -0.427 29.217 29.700 -0.094 0.000 0.750 128 E HN 0.501 nan 8.360 nan 0.000 0.448 129 A N 0.527 123.269 122.820 -0.130 0.000 1.927 129 A HA -0.272 4.027 4.320 -0.034 0.000 0.220 129 A C 2.512 179.992 177.584 -0.174 0.000 1.185 129 A CA 1.784 53.764 52.037 -0.096 0.000 0.639 129 A CB -1.116 17.876 19.000 -0.014 0.000 0.820 129 A HN 0.568 nan 8.150 nan 0.000 0.451 130 C N -0.578 118.538 119.300 -0.307 0.000 2.462 130 C HA -0.122 4.318 4.460 -0.034 0.000 0.278 130 C C 2.956 177.467 174.990 -0.797 0.000 1.253 130 C CA 1.318 59.943 59.018 -0.654 0.000 1.713 130 C CB -1.026 26.057 27.740 -1.096 0.000 2.049 130 C HN 0.660 nan 8.230 nan 0.000 0.477 131 M N 0.557 119.794 119.600 -0.605 0.000 2.144 131 M HA -0.154 4.306 4.480 -0.034 0.000 0.260 131 M C 1.988 178.012 176.300 -0.460 0.000 1.067 131 M CA 1.784 56.758 55.300 -0.543 0.000 1.095 131 M CB -1.553 30.903 32.600 -0.240 0.000 1.365 131 M HN 0.408 nan 8.290 nan 0.000 0.406 132 L N -0.076 120.970 121.223 -0.295 0.000 2.023 132 L HA -0.067 4.253 4.340 -0.034 0.000 0.205 132 L C 2.879 179.879 176.870 0.217 0.000 1.073 132 L CA 1.368 56.128 54.840 -0.133 0.000 0.745 132 L CB -1.374 40.577 42.059 -0.180 0.000 0.900 132 L HN 0.380 nan 8.230 nan 0.000 0.435 133 G N -0.212 108.598 108.800 0.016 0.000 2.469 133 G HA2 -0.246 3.694 3.960 -0.034 0.000 0.220 133 G HA3 -0.246 3.694 3.960 -0.034 0.000 0.220 133 G C 1.539 176.373 174.900 -0.111 0.000 1.136 133 G CA 0.878 45.964 45.100 -0.025 0.000 0.759 133 G HN 0.509 nan 8.290 nan 0.000 0.562 134 G N 0.355 108.876 108.800 -0.464 0.000 2.402 134 G HA2 -0.164 3.776 3.960 -0.034 0.000 0.216 134 G HA3 -0.164 3.776 3.960 -0.034 0.000 0.216 134 G C 1.863 176.687 174.900 -0.126 0.000 1.162 134 G CA 0.942 45.573 45.100 -0.781 0.000 0.777 134 G HN 0.409 nan 8.290 nan 0.000 0.539 135 M N 0.576 120.182 119.600 0.009 0.000 2.117 135 M HA 0.020 4.480 4.480 -0.034 0.000 0.262 135 M C 2.987 179.553 176.300 0.442 0.000 1.065 135 M CA 1.410 56.879 55.300 0.283 0.000 1.114 135 M CB -0.084 32.653 32.600 0.229 0.000 1.361 135 M HN 0.331 nan 8.290 nan 0.000 0.408 136 A N -0.088 122.976 122.820 0.407 0.000 1.930 136 A HA -0.165 4.135 4.320 -0.034 0.000 0.217 136 A C 2.077 179.905 177.584 0.406 0.000 1.175 136 A CA 1.359 53.621 52.037 0.375 0.000 0.627 136 A CB -0.553 18.733 19.000 0.477 0.000 0.815 136 A HN 0.453 nan 8.150 nan 0.000 0.443 137 M N -0.795 119.026 119.600 0.368 0.000 2.065 137 M HA -0.215 4.245 4.480 -0.034 0.000 0.259 137 M C 2.353 178.889 176.300 0.393 0.000 1.071 137 M CA 2.279 57.775 55.300 0.327 0.000 1.109 137 M CB -0.421 32.313 32.600 0.223 0.000 1.313 137 M HN 0.479 nan 8.290 nan 0.000 0.408 138 K N -0.247 120.416 120.400 0.438 0.000 2.044 138 K HA -0.235 4.065 4.320 -0.034 0.000 0.210 138 K C 1.993 178.896 176.600 0.505 0.000 1.049 138 K CA 1.711 58.283 56.287 0.474 0.000 0.927 138 K CB -0.199 32.606 32.500 0.508 0.000 0.713 138 K HN 0.465 nan 8.250 nan 0.000 0.443 139 W N 1.150 122.615 121.300 0.274 0.000 2.381 139 W HA -0.122 4.518 4.660 -0.033 0.000 0.301 139 W C 2.133 178.755 176.519 0.171 0.000 1.205 139 W CA 0.986 58.452 57.345 0.202 0.000 1.285 139 W CB -0.071 29.464 29.460 0.124 0.000 1.133 139 W HN 0.200 nan 8.180 nan 0.000 0.521 140 R N -0.875 119.859 120.500 0.390 0.000 2.073 140 R HA -0.231 4.089 4.340 -0.034 0.000 0.234 140 R C 2.003 178.445 176.300 0.236 0.000 1.134 140 R CA 2.091 58.350 56.100 0.265 0.000 0.952 140 R CB -1.327 29.126 30.300 0.255 0.000 0.850 140 R HN 0.212 nan 8.270 nan 0.000 0.433 141 W N 1.855 123.225 121.300 0.117 0.000 2.338 141 W HA -0.152 4.487 4.660 -0.034 0.000 0.304 141 W C 2.201 178.739 176.519 0.031 0.000 1.212 141 W CA 1.164 58.556 57.345 0.077 0.000 1.264 141 W CB -0.074 29.440 29.460 0.090 0.000 1.142 141 W HN -0.113 nan 8.180 nan 0.000 0.512 142 R N 0.566 121.080 120.500 0.022 0.000 2.096 142 R HA -0.145 4.175 4.340 -0.034 0.000 0.235 142 R C 2.252 178.375 176.300 -0.295 0.000 1.127 142 R CA 1.599 57.516 56.100 -0.304 0.000 0.968 142 R CB -0.383 29.795 30.300 -0.203 0.000 0.861 142 R HN 0.242 nan 8.270 nan 0.000 0.440 143 K N -0.172 120.144 120.400 -0.140 0.000 2.057 143 K HA -0.138 4.161 4.320 -0.034 0.000 0.206 143 K C 2.209 178.731 176.600 -0.130 0.000 1.050 143 K CA 0.999 57.231 56.287 -0.093 0.000 0.935 143 K CB -0.118 32.386 32.500 0.008 0.000 0.715 143 K HN 0.100 nan 8.250 nan 0.000 0.439 144 R N 0.235 120.646 120.500 -0.148 0.000 2.075 144 R HA -0.008 4.312 4.340 -0.034 0.000 0.232 144 R C 2.315 178.481 176.300 -0.224 0.000 1.126 144 R CA 1.094 57.109 56.100 -0.142 0.000 0.963 144 R CB 0.027 30.267 30.300 -0.099 0.000 0.858 144 R HN 0.135 nan 8.270 nan 0.000 0.435 145 M N 0.108 119.463 119.600 -0.408 0.000 2.229 145 M HA -0.119 4.340 4.480 -0.034 0.000 0.264 145 M C 1.720 177.849 176.300 -0.285 0.000 1.063 145 M CA 1.537 56.574 55.300 -0.438 0.000 1.114 145 M CB -0.572 31.526 32.600 -0.835 0.000 1.387 145 M HN 0.181 nan 8.290 nan 0.000 0.420 146 E N 0.374 120.422 120.200 -0.253 0.000 2.046 146 E HA -0.073 4.257 4.350 -0.034 0.000 0.190 146 E C 2.131 178.664 176.600 -0.113 0.000 0.982 146 E CA 1.039 57.342 56.400 -0.161 0.000 0.800 146 E CB -0.063 29.553 29.700 -0.139 0.000 0.756 146 E HN 0.466 nan 8.360 nan 0.000 0.449 147 A N 1.374 124.131 122.820 -0.104 0.000 1.927 147 A HA -0.224 4.076 4.320 -0.034 0.000 0.220 147 A C 2.218 179.761 177.584 -0.069 0.000 1.185 147 A CA 1.966 53.959 52.037 -0.073 0.000 0.639 147 A CB -0.590 18.374 19.000 -0.061 0.000 0.820 147 A HN 0.294 nan 8.150 nan 0.000 0.451 148 A N -1.850 120.918 122.820 -0.087 0.000 2.278 148 A HA 0.438 4.738 4.320 -0.034 0.000 0.212 148 A C 1.673 179.217 177.584 -0.066 0.000 1.213 148 A CA 1.055 53.050 52.037 -0.070 0.000 0.840 148 A CB -1.116 17.840 19.000 -0.073 0.000 0.866 148 A HN 2.002 nan 8.150 nan 0.000 0.489 149 G N -0.220 108.536 108.800 -0.072 0.000 2.198 149 G HA2 -0.275 3.665 3.960 -0.034 0.000 0.260 149 G HA3 -0.275 3.665 3.960 -0.034 0.000 0.260 149 G C 0.117 174.981 174.900 -0.059 0.000 1.025 149 G CA 0.848 45.912 45.100 -0.059 0.000 0.769 149 G HN 0.619 nan 8.290 nan 0.000 0.507 150 K N -0.009 120.340 120.400 -0.085 0.000 2.185 150 K HA 0.547 4.847 4.320 -0.034 0.000 0.240 150 K C -2.468 174.087 176.600 -0.074 0.000 0.983 150 K CA -2.198 54.047 56.287 -0.069 0.000 0.873 150 K CB 1.253 33.713 32.500 -0.066 0.000 1.118 150 K HN -0.066 nan 8.250 nan 0.000 0.441 151 P HA -0.022 nan 4.420 nan 0.000 0.265 151 P C -0.043 177.268 177.300 0.018 0.000 1.193 151 P CA 0.156 63.260 63.100 0.007 0.000 0.765 151 P CB 0.472 32.200 31.700 0.047 0.000 0.823 152 T N -2.946 111.621 114.554 0.021 0.000 3.145 152 T HA 0.043 4.373 4.350 -0.034 0.000 0.281 152 T C 0.746 175.602 174.700 0.261 0.000 1.003 152 T CA -0.253 61.888 62.100 0.068 0.000 0.901 152 T CB -0.293 68.499 68.868 -0.128 0.000 1.112 152 T HN 0.339 nan 8.240 nan 0.000 0.535 153 D N 1.710 122.218 120.400 0.180 0.000 2.347 153 D HA -0.033 4.587 4.640 -0.034 0.000 0.213 153 D C 0.742 177.126 176.300 0.141 0.000 0.985 153 D CA 0.171 54.254 54.000 0.139 0.000 0.879 153 D CB 0.032 40.880 40.800 0.080 0.000 0.919 153 D HN 0.366 nan 8.370 nan 0.000 0.526 154 K N 1.667 122.177 120.400 0.184 0.000 3.082 154 K HA 0.271 4.571 4.320 -0.034 0.000 0.203 154 K C -2.546 174.049 176.600 -0.007 0.000 1.177 154 K CA -1.444 54.899 56.287 0.093 0.000 1.041 154 K CB 1.576 34.125 32.500 0.083 0.000 1.312 154 K HN 0.187 nan 8.250 nan 0.000 0.526 155 P HA 0.039 nan 4.420 nan 0.000 0.275 155 P C -1.015 176.092 177.300 -0.323 0.000 1.227 155 P CA -0.264 62.482 63.100 -0.590 0.000 0.781 155 P CB 0.654 31.907 31.700 -0.746 0.000 0.906 156 N N 1.862 120.361 118.700 -0.335 0.000 2.328 156 N HA 0.556 5.276 4.740 -0.034 0.000 0.299 156 N C -1.304 174.104 175.510 -0.169 0.000 1.179 156 N CA -0.991 51.953 53.050 -0.177 0.000 0.793 156 N CB 1.250 39.668 38.487 -0.114 0.000 1.366 156 N HN 0.189 nan 8.380 nan 0.000 0.493 157 L N 1.555 122.727 121.223 -0.085 0.000 2.362 157 L HA 0.613 4.933 4.340 -0.034 0.000 0.275 157 L C -1.344 175.469 176.870 -0.096 0.000 0.998 157 L CA -0.922 53.876 54.840 -0.069 0.000 0.820 157 L CB 1.770 43.848 42.059 0.031 0.000 1.270 157 L HN 0.537 nan 8.230 nan 0.000 0.415 158 V N 4.636 124.475 119.914 -0.126 0.000 2.417 158 V HA 0.627 4.726 4.120 -0.034 0.000 0.291 158 V C 0.072 176.069 176.094 -0.163 0.000 1.024 158 V CA -0.292 61.931 62.300 -0.128 0.000 0.861 158 V CB 1.540 33.288 31.823 -0.126 0.000 0.985 158 V HN 1.024 nan 8.190 nan 0.000 0.436 159 C N 2.587 121.798 119.300 -0.149 0.000 3.295 159 C HA 0.947 5.387 4.460 -0.034 0.000 0.341 159 C C 0.514 175.447 174.990 -0.096 0.000 1.418 159 C CA -0.145 58.768 59.018 -0.176 0.000 1.240 159 C CB 1.129 28.689 27.740 -0.300 0.000 1.562 159 C HN 0.962 nan 8.230 nan 0.000 0.457 160 G N -0.290 108.471 108.800 -0.065 0.000 2.773 160 G HA2 0.746 4.686 3.960 -0.034 0.000 0.186 160 G HA3 0.746 4.686 3.960 -0.034 0.000 0.186 160 G C -2.627 172.297 174.900 0.041 0.000 1.411 160 G CA -0.831 44.278 45.100 0.015 0.000 1.054 160 G HN 0.791 nan 8.290 nan 0.000 0.579 161 P HA 0.198 nan 4.420 nan 0.000 0.256 161 P C 0.263 177.731 177.300 0.281 0.000 1.688 161 P CA -0.217 62.961 63.100 0.131 0.000 1.162 161 P CB 0.070 31.803 31.700 0.055 0.000 1.870 162 V N 0.495 120.558 119.914 0.248 0.000 2.953 162 V HA 0.307 4.407 4.120 -0.034 0.000 0.304 162 V C 0.696 177.052 176.094 0.437 0.000 1.073 162 V CA -0.839 61.623 62.300 0.271 0.000 1.064 162 V CB 0.660 32.550 31.823 0.112 0.000 1.047 162 V HN 0.293 nan 8.190 nan 0.000 0.478 163 Q N 0.923 120.968 119.800 0.408 0.000 2.443 163 Q HA 0.218 4.537 4.340 -0.034 0.000 0.232 163 Q C 0.978 177.184 176.000 0.343 0.000 1.026 163 Q CA 0.032 56.016 55.803 0.301 0.000 0.924 163 Q CB 1.112 29.942 28.738 0.153 0.000 1.256 163 Q HN 0.931 nan 8.270 nan 0.000 0.519 164 I N 1.776 122.449 120.570 0.171 0.000 2.530 164 I HA -0.325 3.825 4.170 -0.034 0.000 0.257 164 I C 2.237 178.404 176.117 0.085 0.000 1.179 164 I CA 1.158 62.529 61.300 0.119 0.000 1.440 164 I CB -0.026 37.813 38.000 -0.267 0.000 1.087 164 I HN 0.842 nan 8.210 nan 0.000 0.440 165 C N -0.774 118.506 119.300 -0.034 0.000 2.411 165 C HA -0.188 4.251 4.460 -0.034 0.000 0.279 165 C C 2.295 177.156 174.990 -0.216 0.000 1.288 165 C CA 0.080 58.990 59.018 -0.180 0.000 1.764 165 C CB -2.054 25.475 27.740 -0.351 0.000 1.974 165 C HN 0.682 nan 8.230 nan 0.000 0.498 166 W N 0.196 121.527 121.300 0.052 0.000 2.467 166 W HA 0.029 4.669 4.660 -0.033 0.000 0.275 166 W C 2.942 179.457 176.519 -0.005 0.000 1.239 166 W CA 1.209 58.565 57.345 0.019 0.000 1.266 166 W CB -0.620 28.797 29.460 -0.072 0.000 1.112 166 W HN 0.482 nan 8.180 nan 0.000 0.576 167 H N 0.235 119.422 119.070 0.195 0.000 2.395 167 H HA -0.034 4.502 4.556 -0.034 0.000 0.299 167 H C 1.869 177.164 175.328 -0.054 0.000 1.070 167 H CA 1.330 57.428 56.048 0.085 0.000 1.356 167 H CB -0.097 29.694 29.762 0.049 0.000 1.401 167 H HN 0.228 nan 8.280 nan 0.000 0.524 168 K N 0.383 120.761 120.400 -0.036 0.000 1.985 168 K HA -0.144 4.155 4.320 -0.034 0.000 0.210 168 K C 2.116 178.527 176.600 -0.315 0.000 1.047 168 K CA 1.344 57.365 56.287 -0.443 0.000 0.932 168 K CB -0.349 31.965 32.500 -0.311 0.000 0.716 168 K HN 0.062 nan 8.250 nan 0.000 0.439 169 F N 1.918 121.838 119.950 -0.050 0.000 2.065 169 F HA -0.301 4.206 4.527 -0.034 0.000 0.298 169 F C 2.154 178.136 175.800 0.303 0.000 1.112 169 F CA 1.685 59.810 58.000 0.209 0.000 1.212 169 F CB -0.591 38.377 39.000 -0.053 0.000 0.975 169 F HN 0.026 nan 8.300 nan 0.000 0.476 170 A N 0.322 123.160 122.820 0.031 0.000 1.883 170 A HA -0.252 4.048 4.320 -0.034 0.000 0.217 170 A C 2.287 179.830 177.584 -0.069 0.000 1.186 170 A CA 2.113 54.110 52.037 -0.066 0.000 0.624 170 A CB -0.916 18.122 19.000 0.063 0.000 0.822 170 A HN 0.498 nan 8.150 nan 0.000 0.444 171 R N -1.627 118.830 120.500 -0.073 0.000 2.062 171 R HA -0.126 4.194 4.340 -0.034 0.000 0.231 171 R C 1.934 178.262 176.300 0.047 0.000 1.136 171 R CA 1.830 57.902 56.100 -0.047 0.000 0.948 171 R CB -0.611 29.629 30.300 -0.101 0.000 0.845 171 R HN 0.536 nan 8.270 nan 0.000 0.430 172 Y N -1.383 118.910 120.300 -0.011 0.000 2.333 172 Y HA -0.148 4.381 4.550 -0.034 0.000 0.290 172 Y C 1.307 176.975 175.900 -0.387 0.000 1.144 172 Y CA 0.178 58.148 58.100 -0.217 0.000 1.228 172 Y CB -0.296 37.965 38.460 -0.332 0.000 0.985 172 Y HN 0.247 nan 8.280 nan 0.000 0.542 173 W N 0.278 121.527 121.300 -0.085 0.000 2.991 173 W HA 0.169 4.809 4.660 -0.034 0.000 0.391 173 W C -0.351 176.090 176.519 -0.130 0.000 1.054 173 W CA -0.186 57.079 57.345 -0.133 0.000 1.856 173 W CB 0.204 29.466 29.460 -0.331 0.000 1.132 173 W HN 0.038 nan 8.180 nan 0.000 0.601 174 D N 1.066 121.489 120.400 0.039 0.000 2.697 174 D HA -0.145 4.475 4.640 -0.034 0.000 0.238 174 D C -0.341 175.962 176.300 0.006 0.000 1.152 174 D CA 0.826 54.840 54.000 0.023 0.000 0.666 174 D CB -1.461 39.363 40.800 0.039 0.000 1.037 174 D HN -0.130 nan 8.370 nan 0.000 0.423 175 V N 0.308 120.198 119.914 -0.040 0.000 2.715 175 V HA 0.296 4.396 4.120 -0.034 0.000 0.310 175 V C 0.570 176.645 176.094 -0.032 0.000 1.054 175 V CA -0.836 61.432 62.300 -0.053 0.000 0.928 175 V CB 2.478 34.260 31.823 -0.069 0.000 1.007 175 V HN 0.126 nan 8.190 nan 0.000 0.437 176 E N 3.424 123.602 120.200 -0.037 0.000 2.167 176 E HA 0.274 4.604 4.350 -0.034 0.000 0.284 176 E C -1.081 175.510 176.600 -0.015 0.000 1.016 176 E CA -0.513 55.875 56.400 -0.019 0.000 0.817 176 E CB 1.133 30.818 29.700 -0.025 0.000 1.080 176 E HN 0.548 nan 8.360 nan 0.000 0.397 177 L N 6.224 127.448 121.223 0.002 0.000 2.312 177 L HA 0.224 4.544 4.340 -0.034 0.000 0.287 177 L C -0.049 176.811 176.870 -0.017 0.000 1.091 177 L CA -0.082 54.755 54.840 -0.005 0.000 0.846 177 L CB 0.179 42.233 42.059 -0.008 0.000 1.219 177 L HN 0.553 nan 8.230 nan 0.000 0.439 178 R N 3.922 124.400 120.500 -0.036 0.000 2.593 178 R HA 0.113 4.432 4.340 -0.034 0.000 0.282 178 R C -0.073 176.199 176.300 -0.047 0.000 1.300 178 R CA -0.192 55.886 56.100 -0.037 0.000 1.221 178 R CB 0.363 30.634 30.300 -0.048 0.000 1.157 178 R HN 0.515 nan 8.270 nan 0.000 0.555 179 E N 3.207 123.390 120.200 -0.029 0.000 2.167 179 E HA 0.116 4.446 4.350 -0.034 0.000 0.284 179 E C -0.619 175.970 176.600 -0.017 0.000 1.016 179 E CA -0.805 55.578 56.400 -0.028 0.000 0.817 179 E CB 0.758 30.457 29.700 -0.001 0.000 1.080 179 E HN 0.281 nan 8.360 nan 0.000 0.397 180 I N 7.694 128.249 120.570 -0.026 0.000 2.517 180 I HA 0.117 4.267 4.170 -0.034 0.000 0.285 180 I C -1.883 174.220 176.117 -0.023 0.000 1.106 180 I CA -1.861 59.426 61.300 -0.022 0.000 1.402 180 I CB 0.711 38.700 38.000 -0.020 0.000 1.399 180 I HN 0.542 nan 8.210 nan 0.000 0.535 181 P HA 0.144 nan 4.420 nan 0.000 0.275 181 P C -0.544 176.712 177.300 -0.073 0.000 1.228 181 P CA -0.500 62.575 63.100 -0.041 0.000 0.786 181 P CB 0.642 32.322 31.700 -0.032 0.000 0.927 182 M N 2.880 122.413 119.600 -0.112 0.000 2.239 182 M HA 0.158 4.617 4.480 -0.034 0.000 0.348 182 M C 0.977 177.194 176.300 -0.137 0.000 1.239 182 M CA 0.727 55.924 55.300 -0.172 0.000 1.114 182 M CB 0.177 32.640 32.600 -0.228 0.000 1.641 182 M HN 0.423 nan 8.290 nan 0.000 0.453 183 R N 2.760 123.173 120.500 -0.145 0.000 2.707 183 R HA 0.670 4.990 4.340 -0.034 0.000 0.272 183 R C -3.189 173.047 176.300 -0.106 0.000 1.011 183 R CA -1.960 54.078 56.100 -0.102 0.000 0.893 183 R CB 0.564 30.824 30.300 -0.067 0.000 1.233 183 R HN 0.220 nan 8.270 nan 0.000 0.464 184 P HA 0.004 nan 4.420 nan 0.000 0.263 184 P C 0.570 177.838 177.300 -0.054 0.000 1.175 184 P CA 1.774 64.835 63.100 -0.065 0.000 0.761 184 P CB 0.626 32.301 31.700 -0.043 0.000 0.794 185 G N 2.164 110.935 108.800 -0.048 0.000 2.200 185 G HA2 -0.322 3.617 3.960 -0.034 0.000 0.268 185 G HA3 -0.322 3.617 3.960 -0.034 0.000 0.268 185 G C 0.248 175.136 174.900 -0.020 0.000 0.986 185 G CA 0.476 45.565 45.100 -0.019 0.000 0.677 185 G HN 0.646 nan 8.290 nan 0.000 0.532 186 Q N -0.856 118.905 119.800 -0.066 0.000 3.412 186 Q HA 0.560 4.880 4.340 -0.034 0.000 0.219 186 Q C 1.049 176.927 176.000 -0.203 0.000 0.913 186 Q CA -0.526 55.234 55.803 -0.071 0.000 0.722 186 Q CB 0.273 28.995 28.738 -0.026 0.000 1.385 186 Q HN 0.261 nan 8.270 nan 0.000 0.461 187 L N 1.964 122.915 121.223 -0.454 0.000 2.558 187 L HA 0.276 4.596 4.340 -0.034 0.000 0.225 187 L C -0.322 175.934 176.870 -1.023 0.000 1.128 187 L CA 0.486 54.793 54.840 -0.888 0.000 0.868 187 L CB 0.149 41.446 42.059 -1.269 0.000 1.006 187 L HN 0.368 nan 8.230 nan 0.000 0.454 188 F N -1.951 118.014 119.950 0.024 0.000 2.679 188 F HA 0.411 4.918 4.527 -0.034 0.000 0.341 188 F C 0.162 175.974 175.800 0.020 0.000 1.095 188 F CA -1.273 56.744 58.000 0.028 0.000 1.004 188 F CB 0.943 39.974 39.000 0.052 0.000 1.388 188 F HN -0.358 nan 8.300 nan 0.000 0.505 189 M N 3.144 122.881 119.600 0.228 0.000 2.156 189 M HA 0.198 4.657 4.480 -0.034 0.000 0.345 189 M C -0.882 175.490 176.300 0.120 0.000 1.398 189 M CA -0.361 55.005 55.300 0.110 0.000 1.148 189 M CB -0.080 32.554 32.600 0.057 0.000 1.663 189 M HN 0.671 nan 8.290 nan 0.000 0.464 190 D N 5.518 125.972 120.400 0.090 0.000 2.387 190 D HA 0.358 4.978 4.640 -0.034 0.000 0.255 190 D C -2.521 173.805 176.300 0.042 0.000 1.081 190 D CA -1.712 52.339 54.000 0.084 0.000 0.994 190 D CB 0.561 41.407 40.800 0.078 0.000 1.127 190 D HN 0.275 nan 8.370 nan 0.000 0.513 191 P HA -0.122 nan 4.420 nan 0.000 0.217 191 P C 1.442 178.739 177.300 -0.006 0.000 1.150 191 P CA 1.311 64.419 63.100 0.013 0.000 0.832 191 P CB 0.249 31.965 31.700 0.025 0.000 0.787 192 K N -0.054 120.350 120.400 0.007 0.000 1.991 192 K HA -0.132 4.168 4.320 -0.034 0.000 0.212 192 K C 2.193 178.784 176.600 -0.015 0.000 1.049 192 K CA 1.578 57.866 56.287 0.002 0.000 0.932 192 K CB -0.219 32.288 32.500 0.012 0.000 0.717 192 K HN -0.032 nan 8.250 nan 0.000 0.441 193 R N 0.199 120.692 120.500 -0.012 0.000 2.148 193 R HA -0.022 4.298 4.340 -0.034 0.000 0.223 193 R C 2.263 178.535 176.300 -0.047 0.000 1.088 193 R CA 0.983 57.070 56.100 -0.022 0.000 0.985 193 R CB -0.117 30.175 30.300 -0.012 0.000 0.880 193 R HN 0.308 nan 8.270 nan 0.000 0.451 194 M N 0.439 120.006 119.600 -0.056 0.000 2.067 194 M HA -0.179 4.281 4.480 -0.034 0.000 0.260 194 M C 1.590 177.794 176.300 -0.158 0.000 1.069 194 M CA 1.737 56.980 55.300 -0.094 0.000 1.117 194 M CB 0.055 32.604 32.600 -0.084 0.000 1.334 194 M HN 0.057 nan 8.290 nan 0.000 0.407 195 I N 0.882 121.350 120.570 -0.170 0.000 2.208 195 I HA -0.287 3.863 4.170 -0.034 0.000 0.245 195 I C 2.167 178.161 176.117 -0.205 0.000 1.097 195 I CA 1.736 62.868 61.300 -0.279 0.000 1.363 195 I CB -1.644 36.261 38.000 -0.159 0.000 1.051 195 I HN 0.458 nan 8.210 nan 0.000 0.413 196 E N 0.720 120.864 120.200 -0.093 0.000 2.160 196 E HA -0.182 4.148 4.350 -0.034 0.000 0.195 196 E C 2.044 178.610 176.600 -0.057 0.000 0.991 196 E CA 1.354 57.726 56.400 -0.046 0.000 0.810 196 E CB -0.085 29.601 29.700 -0.022 0.000 0.742 196 E HN 0.498 nan 8.360 nan 0.000 0.466 197 A N 0.132 122.900 122.820 -0.087 0.000 2.251 197 A HA 0.037 4.337 4.320 -0.034 0.000 0.209 197 A C 0.804 178.327 177.584 -0.101 0.000 1.187 197 A CA -0.050 51.940 52.037 -0.078 0.000 0.823 197 A CB 0.046 19.002 19.000 -0.074 0.000 0.846 197 A HN 0.176 nan 8.150 nan 0.000 0.486 198 C N 1.138 120.335 119.300 -0.171 0.000 2.365 198 C HA 0.652 5.092 4.460 -0.034 0.000 0.351 198 C C 0.083 175.052 174.990 -0.034 0.000 1.240 198 C CA -0.369 58.532 59.018 -0.194 0.000 2.062 198 C CB 0.642 28.086 27.740 -0.494 0.000 2.387 198 C HN 0.780 nan 8.230 nan 0.000 0.537 199 D N 0.289 120.729 120.400 0.067 0.000 3.057 199 D HA 0.272 4.891 4.640 -0.034 0.000 0.328 199 D C -0.150 176.284 176.300 0.223 0.000 1.317 199 D CA -0.600 53.517 54.000 0.195 0.000 0.973 199 D CB 0.077 40.959 40.800 0.138 0.000 1.424 199 D HN 0.415 nan 8.370 nan 0.000 0.569 200 E N -0.711 119.625 120.200 0.226 0.000 2.512 200 E HA 0.143 4.472 4.350 -0.034 0.000 0.195 200 E C 0.377 177.238 176.600 0.434 0.000 1.083 200 E CA 0.249 56.816 56.400 0.279 0.000 0.873 200 E CB -0.441 29.380 29.700 0.203 0.000 0.897 200 E HN 0.234 nan 8.360 nan 0.000 0.514 201 N N 0.213 119.095 118.700 0.303 0.000 2.205 201 N HA 0.024 4.744 4.740 -0.034 0.000 0.201 201 N C -0.408 174.944 175.510 -0.263 0.000 1.128 201 N CA 0.205 53.397 53.050 0.237 0.000 0.867 201 N CB 0.638 39.201 38.487 0.127 0.000 0.996 201 N HN 0.038 nan 8.380 nan 0.000 0.503 202 T N 2.156 116.644 114.554 -0.111 0.000 2.769 202 T HA 0.112 4.442 4.350 -0.034 0.000 0.293 202 T C 1.968 176.491 174.700 -0.295 0.000 0.931 202 T CA -0.193 61.786 62.100 -0.201 0.000 1.139 202 T CB 0.492 69.317 68.868 -0.073 0.000 0.881 202 T HN 0.224 nan 8.240 nan 0.000 0.532 203 I N 1.039 121.332 120.570 -0.462 0.000 2.617 203 I HA 0.400 4.550 4.170 -0.034 0.000 0.256 203 I C 1.007 177.125 176.117 0.001 0.000 1.167 203 I CA 0.225 61.356 61.300 -0.282 0.000 1.469 203 I CB -0.018 37.835 38.000 -0.245 0.000 1.098 203 I HN 0.650 nan 8.210 nan 0.000 0.436 204 G N 0.033 108.809 108.800 -0.040 0.000 2.441 204 G HA2 0.504 4.443 3.960 -0.034 0.000 0.294 204 G HA3 0.504 4.443 3.960 -0.034 0.000 0.294 204 G C -1.858 172.997 174.900 -0.074 0.000 1.393 204 G CA -0.413 44.680 45.100 -0.011 0.000 0.796 204 G HN -0.093 nan 8.290 nan 0.000 0.494 205 V N -0.160 119.706 119.914 -0.081 0.000 2.540 205 V HA 0.626 4.726 4.120 -0.034 0.000 0.302 205 V C -0.432 175.569 176.094 -0.155 0.000 1.035 205 V CA -0.645 61.580 62.300 -0.125 0.000 0.873 205 V CB 1.820 33.579 31.823 -0.106 0.000 0.992 205 V HN 0.661 nan 8.190 nan 0.000 0.428 206 V N 7.423 127.187 119.914 -0.250 0.000 2.284 206 V HA 0.361 4.461 4.120 -0.034 0.000 0.274 206 V C -2.397 173.538 176.094 -0.265 0.000 1.023 206 V CA -1.674 60.420 62.300 -0.343 0.000 0.808 206 V CB 1.529 32.870 31.823 -0.802 0.000 1.035 206 V HN 0.734 nan 8.190 nan 0.000 0.445 207 P HA 0.315 nan 4.420 nan 0.000 0.278 207 P C -0.242 177.020 177.300 -0.064 0.000 1.238 207 P CA -0.130 62.917 63.100 -0.088 0.000 0.794 207 P CB 0.642 32.309 31.700 -0.055 0.000 0.955 208 T N 2.944 117.490 114.554 -0.014 0.000 2.753 208 T HA 0.251 4.581 4.350 -0.034 0.000 0.297 208 T C -0.230 174.516 174.700 0.076 0.000 0.981 208 T CA -0.003 62.119 62.100 0.037 0.000 0.956 208 T CB -0.433 68.472 68.868 0.063 0.000 0.936 208 T HN 0.155 nan 8.240 nan 0.000 0.463 209 F N 3.671 123.538 119.950 -0.139 0.000 2.666 209 F HA 0.490 4.996 4.527 -0.034 0.000 0.362 209 F C 1.114 176.922 175.800 0.013 0.000 1.190 209 F CA -0.831 57.042 58.000 -0.211 0.000 1.328 209 F CB -0.593 38.101 39.000 -0.511 0.000 1.682 209 F HN 0.829 nan 8.300 nan 0.000 0.623 210 G N 2.195 110.963 108.800 -0.054 0.000 2.328 210 G HA2 -0.010 3.930 3.960 -0.034 0.000 0.244 210 G HA3 -0.010 3.930 3.960 -0.034 0.000 0.244 210 G C -1.000 173.892 174.900 -0.013 0.000 1.317 210 G CA -0.809 44.222 45.100 -0.115 0.000 1.261 210 G HN 0.255 nan 8.290 nan 0.000 0.648 211 V N 1.796 121.710 119.914 -0.000 0.000 2.509 211 V HA 0.093 4.193 4.120 -0.034 0.000 0.297 211 V C 2.129 178.339 176.094 0.193 0.000 1.014 211 V CA 1.244 63.633 62.300 0.148 0.000 1.127 211 V CB 0.587 32.568 31.823 0.264 0.000 0.925 211 V HN 0.733 nan 8.190 nan 0.000 0.480 212 T N 3.758 118.398 114.554 0.142 0.000 2.699 212 T HA -0.213 4.116 4.350 -0.034 0.000 0.268 212 T C 1.454 176.224 174.700 0.117 0.000 1.036 212 T CA 2.137 64.276 62.100 0.064 0.000 1.147 212 T CB -0.347 68.377 68.868 -0.238 0.000 0.862 212 T HN 0.709 nan 8.240 nan 0.000 0.446 213 Y N 1.520 121.922 120.300 0.170 0.000 2.293 213 Y HA -0.080 4.451 4.550 -0.033 0.000 0.291 213 Y C 2.934 179.015 175.900 0.302 0.000 1.137 213 Y CA 1.291 59.511 58.100 0.200 0.000 1.202 213 Y CB -0.254 38.315 38.460 0.182 0.000 0.990 213 Y HN 0.419 nan 8.280 nan 0.000 0.537 214 T N -6.821 107.975 114.554 0.405 0.000 2.992 214 T HA 0.438 4.767 4.350 -0.034 0.000 0.255 214 T C 1.639 176.454 174.700 0.191 0.000 0.938 214 T CA 0.485 62.769 62.100 0.307 0.000 0.895 214 T CB 0.467 69.567 68.868 0.386 0.000 1.221 214 T HN 0.322 nan 8.240 nan 0.000 0.512 215 G N 1.878 110.768 108.800 0.149 0.000 2.176 215 G HA2 -0.211 3.729 3.960 -0.034 0.000 0.232 215 G HA3 -0.211 3.729 3.960 -0.034 0.000 0.232 215 G C -0.072 174.720 174.900 -0.180 0.000 0.986 215 G CA -0.121 44.990 45.100 0.018 0.000 0.643 215 G HN 0.633 nan 8.290 nan 0.000 0.522 216 N N 0.038 118.624 118.700 -0.190 0.000 2.503 216 N HA 0.413 5.132 4.740 -0.034 0.000 0.267 216 N C -0.451 174.716 175.510 -0.573 0.000 1.214 216 N CA 0.018 52.801 53.050 -0.444 0.000 0.959 216 N CB 0.467 38.567 38.487 -0.645 0.000 1.142 216 N HN 0.099 nan 8.380 nan 0.000 0.455 217 Y N 0.705 120.593 120.300 -0.687 0.000 2.309 217 Y HA 0.110 4.639 4.550 -0.034 0.000 0.327 217 Y C 0.858 176.227 175.900 -0.886 0.000 1.172 217 Y CA -0.262 57.310 58.100 -0.880 0.000 1.280 217 Y CB 0.536 38.262 38.460 -1.224 0.000 1.234 217 Y HN 0.319 nan 8.280 nan 0.000 0.512 218 E N 3.525 123.519 120.200 -0.343 0.000 2.046 218 E HA 0.204 4.534 4.350 -0.034 0.000 0.279 218 E C -1.289 175.249 176.600 -0.104 0.000 0.989 218 E CA -0.471 55.811 56.400 -0.197 0.000 0.798 218 E CB 0.321 29.997 29.700 -0.040 0.000 1.086 218 E HN 0.360 nan 8.360 nan 0.000 0.399 219 F N 4.608 124.605 119.950 0.078 0.000 2.494 219 F HA 0.133 4.640 4.527 -0.033 0.000 0.369 219 F C -1.392 174.423 175.800 0.025 0.000 1.098 219 F CA -1.956 56.087 58.000 0.073 0.000 1.154 219 F CB 0.483 39.517 39.000 0.056 0.000 1.103 219 F HN 0.434 nan 8.300 nan 0.000 0.549 220 P HA -0.180 nan 4.420 nan 0.000 0.223 220 P C 1.544 178.890 177.300 0.076 0.000 1.151 220 P CA 0.875 64.001 63.100 0.043 0.000 0.787 220 P CB 0.170 31.830 31.700 -0.067 0.000 0.788 221 Q N 0.442 120.290 119.800 0.079 0.000 1.967 221 Q HA -0.123 4.197 4.340 -0.034 0.000 0.202 221 Q C -0.674 175.377 176.000 0.084 0.000 0.985 221 Q CA 2.734 58.564 55.803 0.045 0.000 0.839 221 Q CB -1.744 26.994 28.738 0.001 0.000 0.906 221 Q HN 0.157 nan 8.270 nan 0.000 0.423 222 P HA -0.168 nan 4.420 nan 0.000 0.217 222 P C 0.798 178.142 177.300 0.072 0.000 1.148 222 P CA 1.290 64.427 63.100 0.062 0.000 0.828 222 P CB -0.079 31.654 31.700 0.056 0.000 0.783 223 L N -2.043 119.231 121.223 0.084 0.000 2.109 223 L HA -0.155 4.165 4.340 -0.034 0.000 0.207 223 L C 2.769 179.672 176.870 0.056 0.000 1.086 223 L CA 1.220 56.092 54.840 0.053 0.000 0.760 223 L CB -1.245 40.837 42.059 0.039 0.000 0.910 223 L HN 0.125 nan 8.230 nan 0.000 0.437 224 H N 0.876 119.941 119.070 -0.008 0.000 2.321 224 H HA -0.187 4.349 4.556 -0.034 0.000 0.300 224 H C 1.640 176.972 175.328 0.006 0.000 1.087 224 H CA 2.038 58.079 56.048 -0.011 0.000 1.319 224 H CB 0.166 29.910 29.762 -0.029 0.000 1.379 224 H HN 0.322 nan 8.280 nan 0.000 0.501 225 D N 0.499 120.997 120.400 0.163 0.000 2.123 225 D HA -0.123 4.497 4.640 -0.034 0.000 0.196 225 D C 2.269 178.604 176.300 0.057 0.000 0.992 225 D CA 1.277 55.340 54.000 0.106 0.000 0.833 225 D CB -0.543 40.304 40.800 0.078 0.000 0.954 225 D HN 0.464 nan 8.370 nan 0.000 0.455 226 A N 0.840 123.687 122.820 0.044 0.000 1.908 226 A HA -0.151 4.149 4.320 -0.034 0.000 0.218 226 A C 2.423 180.037 177.584 0.051 0.000 1.181 226 A CA 1.029 53.090 52.037 0.040 0.000 0.627 226 A CB -0.802 18.207 19.000 0.016 0.000 0.818 226 A HN 0.227 nan 8.150 nan 0.000 0.445 227 L N -0.732 120.487 121.223 -0.006 0.000 2.141 227 L HA -0.161 4.159 4.340 -0.034 0.000 0.209 227 L C 2.024 178.919 176.870 0.042 0.000 1.094 227 L CA 1.187 56.031 54.840 0.006 0.000 0.763 227 L CB -0.667 41.329 42.059 -0.106 0.000 0.908 227 L HN 0.308 nan 8.230 nan 0.000 0.437 228 D N 0.329 120.716 120.400 -0.023 0.000 2.097 228 D HA -0.204 4.415 4.640 -0.034 0.000 0.195 228 D C 2.116 178.446 176.300 0.049 0.000 0.989 228 D CA 1.233 55.236 54.000 0.006 0.000 0.827 228 D CB 0.026 40.841 40.800 0.025 0.000 0.966 228 D HN 0.174 nan 8.370 nan 0.000 0.456 229 K N -0.436 120.006 120.400 0.070 0.000 2.057 229 K HA -0.157 4.143 4.320 -0.034 0.000 0.207 229 K C 2.117 178.777 176.600 0.100 0.000 1.049 229 K CA 0.747 57.078 56.287 0.074 0.000 0.931 229 K CB -0.290 32.257 32.500 0.079 0.000 0.714 229 K HN -0.003 nan 8.250 nan 0.000 0.440 230 F N 2.045 121.987 119.950 -0.012 0.000 2.126 230 F HA -0.225 4.282 4.527 -0.034 0.000 0.299 230 F C 2.465 178.262 175.800 -0.005 0.000 1.096 230 F CA 1.871 59.867 58.000 -0.008 0.000 1.255 230 F CB -0.322 38.672 39.000 -0.011 0.000 0.997 230 F HN 0.184 nan 8.300 nan 0.000 0.479 231 Q N -0.042 119.776 119.800 0.030 0.000 2.084 231 Q HA -0.187 4.133 4.340 -0.034 0.000 0.202 231 Q C 2.361 178.304 176.000 -0.095 0.000 0.978 231 Q CA 1.543 57.313 55.803 -0.055 0.000 0.844 231 Q CB -0.375 28.371 28.738 0.013 0.000 0.898 231 Q HN 0.479 nan 8.270 nan 0.000 0.426 232 A N 1.289 124.078 122.820 -0.052 0.000 1.873 232 A HA -0.259 4.041 4.320 -0.034 0.000 0.218 232 A C 1.671 179.202 177.584 -0.088 0.000 1.193 232 A CA 2.109 54.116 52.037 -0.049 0.000 0.629 232 A CB -0.782 18.208 19.000 -0.018 0.000 0.826 232 A HN 0.491 nan 8.150 nan 0.000 0.447 233 D N -1.516 118.810 120.400 -0.124 0.000 2.183 233 D HA -0.052 4.568 4.640 -0.034 0.000 0.203 233 D C 1.952 178.120 176.300 -0.219 0.000 0.969 233 D CA 1.979 55.892 54.000 -0.145 0.000 0.842 233 D CB -0.188 40.540 40.800 -0.120 0.000 0.957 233 D HN 0.667 nan 8.370 nan 0.000 0.484 234 T N -4.893 109.447 114.554 -0.356 0.000 2.969 234 T HA 0.381 4.710 4.350 -0.034 0.000 0.258 234 T C 1.639 176.189 174.700 -0.250 0.000 0.962 234 T CA 0.770 62.646 62.100 -0.374 0.000 0.903 234 T CB 0.983 69.432 68.868 -0.699 0.000 1.177 234 T HN 0.147 nan 8.240 nan 0.000 0.511 235 G N 1.685 110.361 108.800 -0.206 0.000 2.176 235 G HA2 -0.198 3.742 3.960 -0.034 0.000 0.253 235 G HA3 -0.198 3.742 3.960 -0.034 0.000 0.253 235 G C -0.009 174.852 174.900 -0.065 0.000 0.979 235 G CA 0.117 45.154 45.100 -0.104 0.000 0.641 235 G HN 0.668 nan 8.290 nan 0.000 0.530 236 I N 1.790 122.302 120.570 -0.096 0.000 2.379 236 I HA 0.287 4.437 4.170 -0.034 0.000 0.290 236 I C -0.246 175.941 176.117 0.116 0.000 1.063 236 I CA -0.390 60.935 61.300 0.043 0.000 1.351 236 I CB 1.080 39.158 38.000 0.129 0.000 1.410 236 I HN 0.017 nan 8.210 nan 0.000 0.505 237 D N 8.547 129.017 120.400 0.117 0.000 2.373 237 D HA 0.405 5.025 4.640 -0.034 0.000 0.227 237 D C -0.570 175.812 176.300 0.137 0.000 1.091 237 D CA -0.258 53.807 54.000 0.108 0.000 0.840 237 D CB 0.813 41.657 40.800 0.073 0.000 1.060 237 D HN 0.283 nan 8.370 nan 0.000 0.502 238 I N 3.254 123.899 120.570 0.126 0.000 2.354 238 I HA 0.193 4.343 4.170 -0.034 0.000 0.292 238 I C 0.316 176.466 176.117 0.056 0.000 0.989 238 I CA -0.883 60.479 61.300 0.103 0.000 1.188 238 I CB 1.562 39.609 38.000 0.079 0.000 1.342 238 I HN 0.167 nan 8.210 nan 0.000 0.457 239 D N 6.699 127.148 120.400 0.083 0.000 2.348 239 D HA 0.520 5.139 4.640 -0.034 0.000 0.249 239 D C -0.251 176.077 176.300 0.046 0.000 1.110 239 D CA -0.091 53.956 54.000 0.077 0.000 0.967 239 D CB 1.434 42.314 40.800 0.133 0.000 1.139 239 D HN 0.299 nan 8.370 nan 0.000 0.466 240 M N 0.192 119.818 119.600 0.042 0.000 2.602 240 M HA 0.316 4.776 4.480 -0.034 0.000 0.312 240 M C -0.729 175.593 176.300 0.037 0.000 1.181 240 M CA -0.750 54.556 55.300 0.010 0.000 0.910 240 M CB 2.518 35.107 32.600 -0.019 0.000 1.723 240 M HN 0.355 nan 8.290 nan 0.000 0.459 241 H N 1.846 120.860 119.070 -0.094 0.000 2.589 241 H HA 0.514 5.050 4.556 -0.034 0.000 0.351 241 H C -1.554 173.681 175.328 -0.154 0.000 1.074 241 H CA -0.740 55.246 56.048 -0.104 0.000 1.203 241 H CB 1.184 30.918 29.762 -0.047 0.000 1.558 241 H HN 0.535 nan 8.280 nan 0.000 0.522 242 I N 4.369 124.635 120.570 -0.507 0.000 2.297 242 I HA 0.058 4.208 4.170 -0.034 0.000 0.291 242 I C 0.208 176.209 176.117 -0.192 0.000 1.033 242 I CA -0.429 60.686 61.300 -0.309 0.000 1.253 242 I CB 0.487 38.266 38.000 -0.368 0.000 1.396 242 I HN 0.743 nan 8.210 nan 0.000 0.476 243 D N 6.662 127.117 120.400 0.091 0.000 2.367 243 D HA 0.199 4.819 4.640 -0.034 0.000 0.255 243 D C 0.497 176.849 176.300 0.087 0.000 1.300 243 D CA 0.082 54.213 54.000 0.218 0.000 0.959 243 D CB 0.751 41.759 40.800 0.346 0.000 1.064 243 D HN 0.623 nan 8.370 nan 0.000 0.509 244 A N 3.639 126.466 122.820 0.010 0.000 2.965 244 A HA 0.516 4.816 4.320 -0.034 0.000 0.304 244 A C 1.722 179.355 177.584 0.082 0.000 1.214 244 A CA 0.253 52.282 52.037 -0.014 0.000 0.977 244 A CB -0.016 18.835 19.000 -0.248 0.000 1.127 244 A HN 0.554 nan 8.150 nan 0.000 0.572 245 A N 0.654 123.543 122.820 0.116 0.000 1.915 245 A HA -0.217 4.082 4.320 -0.034 0.000 0.220 245 A C 2.416 180.126 177.584 0.210 0.000 1.198 245 A CA 2.816 54.933 52.037 0.135 0.000 0.647 245 A CB -0.507 18.519 19.000 0.044 0.000 0.825 245 A HN 1.192 nan 8.150 nan 0.000 0.456 246 S N -2.392 113.422 115.700 0.191 0.000 2.591 246 S HA 0.274 4.724 4.470 -0.034 0.000 0.235 246 S C 2.116 176.875 174.600 0.266 0.000 1.074 246 S CA 0.949 59.363 58.200 0.357 0.000 0.925 246 S CB -1.029 62.434 63.200 0.438 0.000 0.818 246 S HN 0.751 nan 8.310 nan 0.000 0.535 247 G N 1.969 110.809 108.800 0.067 0.000 2.503 247 G HA2 -0.063 3.876 3.960 -0.034 0.000 0.221 247 G HA3 -0.063 3.876 3.960 -0.034 0.000 0.221 247 G C 1.466 176.335 174.900 -0.051 0.000 1.131 247 G CA 0.912 45.963 45.100 -0.082 0.000 0.756 247 G HN 0.707 nan 8.290 nan 0.000 0.572 248 G N 0.053 108.838 108.800 -0.025 0.000 2.517 248 G HA2 -0.167 3.773 3.960 -0.034 0.000 0.222 248 G HA3 -0.167 3.773 3.960 -0.034 0.000 0.222 248 G C 1.109 176.053 174.900 0.074 0.000 1.109 248 G CA 0.659 45.721 45.100 -0.064 0.000 0.746 248 G HN 0.431 nan 8.290 nan 0.000 0.576 249 F N -0.521 119.678 119.950 0.414 0.000 2.668 249 F HA 0.492 5.000 4.527 -0.031 0.000 0.301 249 F C 1.562 177.662 175.800 0.500 0.000 1.106 249 F CA -0.319 57.965 58.000 0.474 0.000 1.289 249 F CB 0.511 39.853 39.000 0.570 0.000 1.006 249 F HN -0.005 nan 8.300 nan 0.000 0.535 250 L N -1.118 120.338 121.223 0.389 0.000 2.590 250 L HA 0.282 4.602 4.340 -0.034 0.000 0.181 250 L C 2.495 179.520 176.870 0.258 0.000 1.134 250 L CA 0.803 55.846 54.840 0.340 0.000 0.850 250 L CB -0.834 41.307 42.059 0.138 0.000 1.172 250 L HN 0.023 nan 8.230 nan 0.000 0.498 251 A N 0.738 123.627 122.820 0.115 0.000 1.940 251 A HA -0.098 4.201 4.320 -0.034 0.000 0.219 251 A C -0.481 177.176 177.584 0.122 0.000 1.176 251 A CA 1.715 53.810 52.037 0.097 0.000 0.631 251 A CB -1.803 17.165 19.000 -0.052 0.000 0.814 251 A HN 0.250 nan 8.150 nan 0.000 0.446 252 P HA -0.092 nan 4.420 nan 0.000 0.223 252 P C 0.570 177.721 177.300 -0.250 0.000 1.144 252 P CA 0.987 63.991 63.100 -0.160 0.000 0.783 252 P CB -0.076 31.334 31.700 -0.483 0.000 0.771 253 F N -1.723 118.339 119.950 0.185 0.000 2.419 253 F HA 0.043 4.551 4.527 -0.033 0.000 0.283 253 F C 2.054 177.933 175.800 0.131 0.000 1.044 253 F CA 0.542 58.636 58.000 0.158 0.000 1.376 253 F CB -1.237 37.886 39.000 0.204 0.000 1.131 253 F HN -0.271 nan 8.300 nan 0.000 0.585 254 V N -2.661 117.432 119.914 0.298 0.000 3.660 254 V HA 0.652 4.752 4.120 -0.034 0.000 0.276 254 V C 0.623 176.759 176.094 0.071 0.000 1.317 254 V CA 0.604 62.999 62.300 0.157 0.000 1.097 254 V CB -0.194 31.689 31.823 0.100 0.000 0.863 254 V HN 0.159 nan 8.190 nan 0.000 0.438 255 A N 0.941 123.820 122.820 0.100 0.000 3.448 255 A HA 0.597 4.896 4.320 -0.034 0.000 0.232 255 A C -1.456 176.202 177.584 0.124 0.000 1.018 255 A CA -0.275 51.815 52.037 0.087 0.000 0.996 255 A CB 0.120 19.169 19.000 0.082 0.000 1.283 255 A HN 0.321 nan 8.150 nan 0.000 0.586 256 P HA -0.138 nan 4.420 nan 0.000 0.226 256 P C 0.288 177.642 177.300 0.090 0.000 1.146 256 P CA 1.116 64.289 63.100 0.122 0.000 0.773 256 P CB 0.325 32.086 31.700 0.102 0.000 0.772 257 D N -0.150 120.295 120.400 0.074 0.000 2.234 257 D HA 0.037 4.657 4.640 -0.034 0.000 0.205 257 D C 1.088 177.420 176.300 0.054 0.000 0.962 257 D CA 0.339 54.363 54.000 0.040 0.000 0.855 257 D CB -0.244 40.574 40.800 0.031 0.000 0.951 257 D HN 0.260 nan 8.370 nan 0.000 0.500 258 I N 1.732 122.378 120.570 0.127 0.000 2.587 258 I HA -0.028 4.121 4.170 -0.034 0.000 0.284 258 I C -0.007 176.218 176.117 0.180 0.000 1.134 258 I CA -0.196 61.214 61.300 0.183 0.000 1.410 258 I CB 0.916 39.077 38.000 0.268 0.000 1.392 258 I HN -0.340 nan 8.210 nan 0.000 0.545 259 V N 7.967 127.907 119.914 0.045 0.000 2.364 259 V HA 0.190 4.290 4.120 -0.034 0.000 0.272 259 V C 0.405 176.419 176.094 -0.133 0.000 1.036 259 V CA -0.145 62.077 62.300 -0.129 0.000 0.880 259 V CB 0.577 32.296 31.823 -0.173 0.000 0.991 259 V HN 1.010 nan 8.190 nan 0.000 0.460 260 W N 3.685 124.734 121.300 -0.418 0.000 1.425 260 W HA 0.211 4.851 4.660 -0.034 0.000 0.185 260 W C -0.205 175.905 176.519 -0.682 0.000 0.771 260 W CA 0.226 57.192 57.345 -0.632 0.000 0.826 260 W CB -0.135 28.645 29.460 -1.134 0.000 0.831 260 W HN 0.636 nan 8.180 nan 0.000 0.503 261 D N 0.796 120.298 120.400 -1.496 0.000 2.509 261 D HA 0.238 4.858 4.640 -0.034 0.000 0.275 261 D C 0.954 176.736 176.300 -0.863 0.000 1.189 261 D CA -0.551 52.495 54.000 -1.590 0.000 1.098 261 D CB -0.432 39.249 40.800 -1.864 0.000 1.177 261 D HN -0.248 nan 8.370 nan 0.000 0.599 262 F N -0.460 119.219 119.950 -0.450 0.000 2.373 262 F HA 0.043 4.550 4.527 -0.034 0.000 0.300 262 F C 2.413 178.078 175.800 -0.224 0.000 1.080 262 F CA 0.618 58.473 58.000 -0.241 0.000 1.417 262 F CB -0.549 38.380 39.000 -0.118 0.000 1.070 262 F HN 0.095 nan 8.300 nan 0.000 0.546 263 R N 0.018 120.414 120.500 -0.175 0.000 2.211 263 R HA -0.101 4.219 4.340 -0.034 0.000 0.240 263 R C 0.277 176.440 176.300 -0.228 0.000 1.144 263 R CA 0.585 56.550 56.100 -0.225 0.000 0.992 263 R CB -0.356 29.720 30.300 -0.375 0.000 0.869 263 R HN 0.231 nan 8.270 nan 0.000 0.462 264 L N 1.795 122.850 121.223 -0.279 0.000 2.260 264 L HA 0.182 4.502 4.340 -0.034 0.000 0.289 264 L C -1.418 175.390 176.870 -0.104 0.000 1.057 264 L CA -1.952 52.675 54.840 -0.355 0.000 0.811 264 L CB 1.405 43.169 42.059 -0.491 0.000 1.184 264 L HN -0.093 nan 8.230 nan 0.000 0.429 265 P HA -0.191 nan 4.420 nan 0.000 0.216 265 P C 1.180 178.608 177.300 0.214 0.000 1.150 265 P CA 1.437 64.617 63.100 0.134 0.000 0.843 265 P CB 0.153 31.937 31.700 0.140 0.000 0.787 266 R N -0.661 120.082 120.500 0.406 0.000 2.235 266 R HA 0.060 4.380 4.340 -0.034 0.000 0.213 266 R C 0.446 176.829 176.300 0.138 0.000 1.059 266 R CA 0.122 56.339 56.100 0.195 0.000 0.997 266 R CB -0.352 29.930 30.300 -0.030 0.000 0.884 266 R HN 0.072 nan 8.270 nan 0.000 0.462 267 V N 2.171 122.150 119.914 0.108 0.000 2.421 267 V HA -0.017 4.083 4.120 -0.034 0.000 0.271 267 V C 0.749 176.917 176.094 0.123 0.000 1.031 267 V CA 0.638 62.929 62.300 -0.015 0.000 1.032 267 V CB 1.178 32.850 31.823 -0.251 0.000 1.009 267 V HN 0.051 nan 8.190 nan 0.000 0.477 268 K N 2.600 123.092 120.400 0.153 0.000 2.354 268 K HA 0.221 4.521 4.320 -0.034 0.000 0.194 268 K C 0.419 177.249 176.600 0.384 0.000 1.045 268 K CA 0.399 56.867 56.287 0.302 0.000 1.026 268 K CB 0.586 33.253 32.500 0.278 0.000 0.866 268 K HN 0.868 nan 8.250 nan 0.000 0.530 269 S N -1.179 114.599 115.700 0.131 0.000 2.565 269 S HA 0.600 5.050 4.470 -0.034 0.000 0.274 269 S C -0.976 173.262 174.600 -0.602 0.000 1.144 269 S CA -1.089 57.064 58.200 -0.078 0.000 0.849 269 S CB 1.092 64.104 63.200 -0.314 0.000 1.103 269 S HN -0.050 nan 8.310 nan 0.000 0.455 270 I N 1.732 121.978 120.570 -0.540 0.000 2.769 270 I HA 0.689 4.838 4.170 -0.034 0.000 0.298 270 I C -0.431 175.499 176.117 -0.312 0.000 1.128 270 I CA -0.602 60.263 61.300 -0.725 0.000 1.031 270 I CB 2.669 40.099 38.000 -0.950 0.000 1.235 270 I HN 0.968 nan 8.210 nan 0.000 0.423 271 S N 3.305 118.885 115.700 -0.199 0.000 2.599 271 S HA 1.001 5.451 4.470 -0.034 0.000 0.287 271 S C -0.792 173.907 174.600 0.165 0.000 1.105 271 S CA -0.703 57.579 58.200 0.138 0.000 0.899 271 S CB 2.584 65.912 63.200 0.212 0.000 1.100 271 S HN 0.968 nan 8.310 nan 0.000 0.482 272 A N 0.790 123.838 122.820 0.379 0.000 2.599 272 A HA 0.823 5.123 4.320 -0.034 0.000 0.290 272 A C -0.937 176.905 177.584 0.430 0.000 1.101 272 A CA -0.893 51.408 52.037 0.440 0.000 0.674 272 A CB 1.048 20.439 19.000 0.652 0.000 1.277 272 A HN 0.924 nan 8.150 nan 0.000 0.419 273 S N 0.192 116.100 115.700 0.347 0.000 2.429 273 S HA 0.468 4.918 4.470 -0.034 0.000 0.302 273 S C 1.336 176.003 174.600 0.112 0.000 1.115 273 S CA 0.009 58.231 58.200 0.036 0.000 1.095 273 S CB 1.427 64.519 63.200 -0.180 0.000 0.987 273 S HN 1.357 nan 8.310 nan 0.000 0.474 274 G N 2.059 110.861 108.800 0.003 0.000 2.442 274 G HA2 -0.219 3.721 3.960 -0.034 0.000 0.219 274 G HA3 -0.219 3.721 3.960 -0.034 0.000 0.219 274 G C 1.010 175.873 174.900 -0.061 0.000 1.141 274 G CA 0.604 45.698 45.100 -0.010 0.000 0.763 274 G HN 0.944 nan 8.290 nan 0.000 0.554 275 H N -0.407 118.676 119.070 0.021 0.000 2.536 275 H HA 0.378 4.914 4.556 -0.034 0.000 0.276 275 H C 1.147 176.476 175.328 0.001 0.000 1.019 275 H CA 0.078 56.124 56.048 -0.003 0.000 1.159 275 H CB 0.244 29.990 29.762 -0.026 0.000 1.373 275 H HN 0.266 nan 8.280 nan 0.000 0.584 276 K N 0.512 120.987 120.400 0.125 0.000 4.253 276 K HA 0.186 4.485 4.320 -0.034 0.000 0.209 276 K C 0.597 177.182 176.600 -0.024 0.000 1.106 276 K CA -0.569 55.746 56.287 0.048 0.000 1.876 276 K CB 0.047 32.632 32.500 0.141 0.000 2.732 276 K HN -0.004 nan 8.250 nan 0.000 0.648 277 F N 1.484 121.586 119.950 0.254 0.000 2.771 277 F HA 0.024 4.532 4.527 -0.032 0.000 0.299 277 F C 1.808 177.775 175.800 0.279 0.000 1.177 277 F CA 0.444 58.612 58.000 0.280 0.000 1.450 277 F CB -0.419 38.781 39.000 0.334 0.000 1.114 277 F HN 0.496 nan 8.300 nan 0.000 0.587 278 G N -0.557 108.296 108.800 0.088 0.000 2.712 278 G HA2 0.064 4.004 3.960 -0.034 0.000 0.212 278 G HA3 0.064 4.004 3.960 -0.034 0.000 0.212 278 G C 1.168 176.120 174.900 0.086 0.000 1.142 278 G CA 0.335 45.221 45.100 -0.356 0.000 0.789 278 G HN 0.481 nan 8.290 nan 0.000 0.535 279 L N -2.348 118.935 121.223 0.100 0.000 5.044 279 L HA -0.196 4.123 4.340 -0.034 0.000 0.412 279 L C 1.459 178.374 176.870 0.075 0.000 0.971 279 L CA -0.056 54.838 54.840 0.090 0.000 1.411 279 L CB -2.246 39.849 42.059 0.060 0.000 1.884 279 L HN 0.366 nan 8.230 nan 0.000 0.631 280 A N 0.710 123.558 122.820 0.047 0.000 2.406 280 A HA 0.565 4.864 4.320 -0.034 0.000 0.243 280 A C -1.790 175.838 177.584 0.073 0.000 1.082 280 A CA -0.464 51.602 52.037 0.050 0.000 0.786 280 A CB -0.131 18.887 19.000 0.029 0.000 1.029 280 A HN 0.103 nan 8.150 nan 0.000 0.495 281 P HA 0.208 nan 4.420 nan 0.000 0.276 281 P C -0.237 177.076 177.300 0.021 0.000 1.244 281 P CA -0.346 62.759 63.100 0.009 0.000 0.801 281 P CB 0.365 32.034 31.700 -0.051 0.000 1.006 282 L N 1.225 122.419 121.223 -0.048 0.000 2.720 282 L HA 0.000 4.320 4.340 -0.034 0.000 0.289 282 L C 1.482 178.304 176.870 -0.080 0.000 1.232 282 L CA 1.633 56.371 54.840 -0.169 0.000 0.915 282 L CB -1.098 40.832 42.059 -0.215 0.000 1.184 282 L HN 0.912 nan 8.230 nan 0.000 0.491 283 G N 2.312 111.128 108.800 0.026 0.000 2.186 283 G HA2 -0.174 3.766 3.960 -0.034 0.000 0.130 283 G HA3 -0.174 3.766 3.960 -0.034 0.000 0.130 283 G C -0.475 174.412 174.900 -0.021 0.000 1.031 283 G CA -0.305 44.797 45.100 0.003 0.000 0.697 283 G HN 0.763 nan 8.290 nan 0.000 0.494 284 C N 0.664 120.019 119.300 0.092 0.000 2.599 284 C HA 0.867 5.307 4.460 -0.034 0.000 0.354 284 C C 0.639 175.367 174.990 -0.437 0.000 1.092 284 C CA 0.668 59.533 59.018 -0.254 0.000 1.280 284 C CB 0.510 28.133 27.740 -0.195 0.000 1.829 284 C HN 1.410 nan 8.230 nan 0.000 0.454 285 G N 3.251 111.717 108.800 -0.558 0.000 2.730 285 G HA2 0.840 4.780 3.960 -0.034 0.000 0.289 285 G HA3 0.840 4.780 3.960 -0.034 0.000 0.289 285 G C -2.052 172.454 174.900 -0.656 0.000 1.341 285 G CA -0.623 44.202 45.100 -0.459 0.000 0.932 285 G HN 0.730 nan 8.290 nan 0.000 0.481 286 W N -0.843 120.554 121.300 0.161 0.000 3.138 286 W HA 0.582 5.221 4.660 -0.035 0.000 0.331 286 W C -0.832 175.818 176.519 0.218 0.000 1.166 286 W CA -0.875 56.597 57.345 0.212 0.000 1.212 286 W CB 2.459 32.105 29.460 0.309 0.000 1.399 286 W HN 0.397 nan 8.180 nan 0.000 0.514 287 V N 5.508 125.658 119.914 0.392 0.000 2.709 287 V HA 0.676 4.776 4.120 -0.034 0.000 0.308 287 V C -1.243 174.960 176.094 0.181 0.000 1.062 287 V CA -0.929 61.477 62.300 0.176 0.000 0.901 287 V CB 1.447 33.223 31.823 -0.078 0.000 1.003 287 V HN 0.419 nan 8.190 nan 0.000 0.425 288 I N 5.839 126.503 120.570 0.157 0.000 2.498 288 I HA 0.453 4.603 4.170 -0.034 0.000 0.290 288 I C -0.577 175.669 176.117 0.215 0.000 1.032 288 I CA -0.545 60.934 61.300 0.299 0.000 1.073 288 I CB 1.949 40.237 38.000 0.482 0.000 1.251 288 I HN 0.619 nan 8.210 nan 0.000 0.426 289 W N 4.651 126.118 121.300 0.277 0.000 2.449 289 W HA 0.352 4.991 4.660 -0.034 0.000 0.331 289 W C 1.529 177.987 176.519 -0.102 0.000 1.119 289 W CA -0.604 56.868 57.345 0.212 0.000 1.240 289 W CB 1.746 31.308 29.460 0.171 0.000 1.251 289 W HN 0.687 nan 8.180 nan 0.000 0.576 290 R N 0.961 121.499 120.500 0.064 0.000 2.117 290 R HA -0.219 4.100 4.340 -0.034 0.000 0.243 290 R C -0.375 175.822 176.300 -0.171 0.000 1.143 290 R CA 2.408 58.297 56.100 -0.351 0.000 0.968 290 R CB -0.077 30.234 30.300 0.018 0.000 0.863 290 R HN 0.657 nan 8.270 nan 0.000 0.444 291 D N -3.715 116.699 120.400 0.022 0.000 2.913 291 D HA -0.011 4.609 4.640 -0.034 0.000 0.293 291 D C -0.184 176.134 176.300 0.030 0.000 1.238 291 D CA -0.649 53.357 54.000 0.010 0.000 0.738 291 D CB 0.051 40.844 40.800 -0.011 0.000 1.254 291 D HN -0.156 nan 8.370 nan 0.000 0.429 292 E N 0.018 120.215 120.200 -0.004 0.000 2.219 292 E HA -0.199 4.131 4.350 -0.034 0.000 0.198 292 E C 1.000 177.574 176.600 -0.044 0.000 0.998 292 E CA 1.399 57.777 56.400 -0.036 0.000 0.818 292 E CB 0.021 29.701 29.700 -0.034 0.000 0.741 292 E HN 0.607 nan 8.360 nan 0.000 0.477 293 E N 0.071 120.267 120.200 -0.007 0.000 2.371 293 E HA 0.020 4.350 4.350 -0.034 0.000 0.194 293 E C 1.854 178.471 176.600 0.029 0.000 1.012 293 E CA 0.518 56.920 56.400 0.004 0.000 0.860 293 E CB 0.103 29.817 29.700 0.024 0.000 0.811 293 E HN 0.186 nan 8.360 nan 0.000 0.502 294 A N 0.660 123.521 122.820 0.068 0.000 2.066 294 A HA -0.036 4.263 4.320 -0.034 0.000 0.218 294 A C 1.027 178.616 177.584 0.008 0.000 1.157 294 A CA 0.482 52.621 52.037 0.170 0.000 0.670 294 A CB 0.052 19.280 19.000 0.381 0.000 0.804 294 A HN 0.177 nan 8.150 nan 0.000 0.453 295 L N 0.925 122.003 121.223 -0.241 0.000 2.301 295 L HA 0.475 4.795 4.340 -0.034 0.000 0.278 295 L C -2.775 173.877 176.870 -0.365 0.000 1.022 295 L CA -2.444 52.068 54.840 -0.546 0.000 0.854 295 L CB 1.089 42.623 42.059 -0.875 0.000 1.226 295 L HN -0.143 nan 8.230 nan 0.000 0.429 296 P HA -0.011 nan 4.420 nan 0.000 0.258 296 P C 0.225 177.334 177.300 -0.317 0.000 1.172 296 P CA 0.146 63.126 63.100 -0.200 0.000 0.762 296 P CB 0.515 32.152 31.700 -0.106 0.000 0.764 297 Q N 2.676 122.343 119.800 -0.222 0.000 2.181 297 Q HA -0.206 4.113 4.340 -0.034 0.000 0.205 297 Q C 1.385 177.203 176.000 -0.305 0.000 0.980 297 Q CA 1.777 57.434 55.803 -0.242 0.000 0.862 297 Q CB -0.260 28.384 28.738 -0.157 0.000 0.905 297 Q HN 0.549 nan 8.270 nan 0.000 0.429 298 E N 0.175 120.222 120.200 -0.255 0.000 2.273 298 E HA -0.141 4.189 4.350 -0.034 0.000 0.198 298 E C 1.771 178.075 176.600 -0.494 0.000 1.002 298 E CA 0.691 56.922 56.400 -0.281 0.000 0.828 298 E CB -0.187 29.477 29.700 -0.061 0.000 0.747 298 E HN 0.329 nan 8.360 nan 0.000 0.491 299 L N -0.107 120.741 121.223 -0.625 0.000 2.446 299 L HA 0.080 4.400 4.340 -0.034 0.000 0.219 299 L C 0.213 176.754 176.870 -0.547 0.000 1.116 299 L CA -0.120 54.275 54.840 -0.742 0.000 0.844 299 L CB 0.258 41.554 42.059 -1.272 0.000 0.970 299 L HN -0.063 nan 8.230 nan 0.000 0.457 300 V N 0.388 119.993 119.914 -0.516 0.000 2.432 300 V HA 0.194 4.293 4.120 -0.034 0.000 0.275 300 V C -0.423 175.477 176.094 -0.323 0.000 1.043 300 V CA -0.220 61.922 62.300 -0.264 0.000 0.925 300 V CB 0.998 32.681 31.823 -0.233 0.000 0.985 300 V HN -0.065 nan 8.190 nan 0.000 0.466 301 F N 3.394 123.375 119.950 0.052 0.000 2.444 301 F HA 0.468 4.975 4.527 -0.034 0.000 0.342 301 F C 0.655 176.499 175.800 0.074 0.000 1.121 301 F CA -0.634 57.404 58.000 0.062 0.000 0.997 301 F CB 1.352 40.410 39.000 0.096 0.000 1.130 301 F HN 0.418 nan 8.300 nan 0.000 0.454 302 N N 3.157 121.960 118.700 0.171 0.000 2.434 302 N HA 0.408 5.128 4.740 -0.034 0.000 0.272 302 N C -1.028 174.559 175.510 0.127 0.000 1.040 302 N CA -0.232 52.893 53.050 0.126 0.000 0.956 302 N CB 2.151 40.673 38.487 0.058 0.000 1.108 302 N HN 0.365 nan 8.380 nan 0.000 0.481 303 V N -0.657 119.322 119.914 0.108 0.000 2.417 303 V HA 0.374 4.474 4.120 -0.034 0.000 0.291 303 V C -0.125 175.844 176.094 -0.209 0.000 1.024 303 V CA -1.135 61.146 62.300 -0.032 0.000 0.861 303 V CB 1.646 33.456 31.823 -0.021 0.000 0.985 303 V HN 0.331 nan 8.190 nan 0.000 0.436 304 D N 3.911 124.184 120.400 -0.212 0.000 2.412 304 D HA 0.355 4.975 4.640 -0.034 0.000 0.257 304 D C -0.566 175.519 176.300 -0.359 0.000 1.217 304 D CA 1.001 54.894 54.000 -0.179 0.000 0.897 304 D CB 0.181 40.924 40.800 -0.095 0.000 1.132 304 D HN 0.653 nan 8.370 nan 0.000 0.493 305 Y N 0.479 120.784 120.300 0.008 0.000 2.659 305 Y HA 0.292 4.821 4.550 -0.034 0.000 0.333 305 Y C 1.387 177.281 175.900 -0.010 0.000 1.064 305 Y CA -1.012 57.084 58.100 -0.007 0.000 1.141 305 Y CB 0.799 39.245 38.460 -0.022 0.000 1.316 305 Y HN 0.121 nan 8.280 nan 0.000 0.509 306 L N 0.421 121.743 121.223 0.164 0.000 2.056 306 L HA -0.075 4.245 4.340 -0.034 0.000 0.207 306 L C 1.968 178.875 176.870 0.061 0.000 1.078 306 L CA 1.637 56.523 54.840 0.076 0.000 0.749 306 L CB -0.507 41.579 42.059 0.045 0.000 0.901 306 L HN 0.968 nan 8.230 nan 0.000 0.433 307 G N -0.690 108.147 108.800 0.062 0.000 3.155 307 G HA2 0.372 4.311 3.960 -0.034 0.000 0.213 307 G HA3 0.372 4.311 3.960 -0.034 0.000 0.213 307 G C 0.685 175.611 174.900 0.043 0.000 1.196 307 G CA 0.495 45.614 45.100 0.031 0.000 0.846 307 G HN 0.560 nan 8.290 nan 0.000 0.516 308 G N -0.581 108.261 108.800 0.071 0.000 2.631 308 G HA2 -0.002 3.937 3.960 -0.034 0.000 0.504 308 G HA3 -0.002 3.937 3.960 -0.034 0.000 0.504 308 G C -0.295 174.683 174.900 0.130 0.000 1.306 308 G CA -0.214 44.929 45.100 0.072 0.000 0.897 308 G HN 0.926 nan 8.290 nan 0.000 0.520 309 Q N -0.747 119.120 119.800 0.113 0.000 2.226 309 Q HA 0.785 5.105 4.340 -0.034 0.000 0.256 309 Q C -0.292 175.806 176.000 0.164 0.000 0.962 309 Q CA -0.956 54.948 55.803 0.168 0.000 0.887 309 Q CB 1.922 30.713 28.738 0.090 0.000 1.282 309 Q HN 0.761 nan 8.270 nan 0.000 0.449 310 I N 0.493 121.211 120.570 0.248 0.000 2.646 310 I HA 0.511 4.661 4.170 -0.034 0.000 0.299 310 I C 0.135 176.346 176.117 0.157 0.000 1.036 310 I CA -1.331 60.059 61.300 0.151 0.000 1.074 310 I CB 2.235 40.273 38.000 0.064 0.000 1.258 310 I HN 0.822 nan 8.210 nan 0.000 0.430 311 G N 2.033 110.895 108.800 0.103 0.000 2.377 311 G HA2 0.612 4.552 3.960 -0.034 0.000 0.299 311 G HA3 0.612 4.552 3.960 -0.034 0.000 0.299 311 G C -0.458 174.530 174.900 0.148 0.000 1.150 311 G CA -0.226 44.941 45.100 0.112 0.000 0.847 311 G HN 0.659 nan 8.290 nan 0.000 0.501 312 T N -1.256 113.430 114.554 0.221 0.000 2.876 312 T HA 0.594 4.924 4.350 -0.034 0.000 0.289 312 T C -1.307 173.642 174.700 0.415 0.000 1.014 312 T CA -0.770 61.502 62.100 0.287 0.000 0.986 312 T CB 1.973 71.004 68.868 0.271 0.000 1.021 312 T HN 0.310 nan 8.240 nan 0.000 0.458 313 F N 2.612 122.693 119.950 0.217 0.000 2.434 313 F HA 0.767 5.274 4.527 -0.033 0.000 0.367 313 F C -0.473 175.497 175.800 0.283 0.000 1.093 313 F CA -1.550 56.579 58.000 0.214 0.000 1.085 313 F CB 0.082 39.138 39.000 0.092 0.000 1.322 313 F HN 1.107 nan 8.300 nan 0.000 0.452 314 A N 5.267 128.233 122.820 0.242 0.000 2.606 314 A HA 0.593 4.893 4.320 -0.034 0.000 0.293 314 A C 0.029 177.665 177.584 0.088 0.000 1.082 314 A CA -0.588 51.509 52.037 0.099 0.000 0.685 314 A CB 0.845 20.017 19.000 0.286 0.000 1.284 314 A HN 0.558 nan 8.150 nan 0.000 0.408 315 I N 0.590 121.175 120.570 0.024 0.000 2.406 315 I HA -0.069 4.081 4.170 -0.034 0.000 0.249 315 I C 0.729 176.912 176.117 0.111 0.000 1.122 315 I CA 0.566 61.907 61.300 0.069 0.000 1.431 315 I CB -0.031 38.007 38.000 0.063 0.000 1.087 315 I HN 0.553 nan 8.210 nan 0.000 0.424 316 N N 0.142 118.910 118.700 0.112 0.000 2.513 316 N HA 0.104 4.824 4.740 -0.034 0.000 0.274 316 N C 0.111 175.816 175.510 0.325 0.000 1.189 316 N CA -0.050 53.094 53.050 0.157 0.000 0.975 316 N CB 1.682 40.203 38.487 0.057 0.000 1.157 316 N HN -0.030 nan 8.380 nan 0.000 0.465 317 F N 0.693 120.726 119.950 0.137 0.000 2.414 317 F HA 0.249 4.756 4.527 -0.033 0.000 0.215 317 F C 0.917 176.856 175.800 0.232 0.000 1.071 317 F CA -0.081 58.026 58.000 0.179 0.000 1.042 317 F CB -0.449 38.608 39.000 0.094 0.000 1.308 317 F HN 0.210 nan 8.300 nan 0.000 0.639 318 S N 1.976 117.818 115.700 0.235 0.000 2.549 318 S HA 0.442 4.892 4.470 -0.034 0.000 0.286 318 S C -0.658 174.022 174.600 0.133 0.000 1.314 318 S CA -0.216 58.057 58.200 0.122 0.000 1.062 318 S CB -0.162 63.154 63.200 0.193 0.000 0.865 318 S HN 0.492 nan 8.310 nan 0.000 0.498 319 R N 1.627 122.198 120.500 0.118 0.000 2.765 319 R HA 0.397 4.716 4.340 -0.034 0.000 0.277 319 R C -3.654 172.668 176.300 0.036 0.000 1.028 319 R CA -1.773 54.360 56.100 0.054 0.000 0.860 319 R CB 0.185 30.485 30.300 0.000 0.000 1.270 319 R HN 0.255 nan 8.270 nan 0.000 0.484 320 P HA 0.116 nan 4.420 nan 0.000 0.271 320 P C -0.138 177.130 177.300 -0.053 0.000 1.216 320 P CA -0.203 62.866 63.100 -0.051 0.000 0.776 320 P CB 1.348 33.007 31.700 -0.068 0.000 0.881 321 A N 2.961 125.760 122.820 -0.035 0.000 2.275 321 A HA 0.200 4.500 4.320 -0.034 0.000 0.212 321 A C 2.154 179.721 177.584 -0.029 0.000 1.201 321 A CA 0.938 52.980 52.037 0.009 0.000 0.843 321 A CB -1.191 17.845 19.000 0.059 0.000 0.873 321 A HN 0.589 nan 8.150 nan 0.000 0.492 322 G N 0.185 108.949 108.800 -0.060 0.000 2.513 322 G HA2 -0.316 3.623 3.960 -0.034 0.000 0.219 322 G HA3 -0.316 3.623 3.960 -0.034 0.000 0.219 322 G C 1.433 176.307 174.900 -0.042 0.000 1.160 322 G CA 1.351 46.418 45.100 -0.055 0.000 0.767 322 G HN 0.552 nan 8.290 nan 0.000 0.571 323 Q N -0.368 119.391 119.800 -0.068 0.000 2.224 323 Q HA 0.094 4.414 4.340 -0.034 0.000 0.203 323 Q C 2.742 178.725 176.000 -0.029 0.000 0.970 323 Q CA 0.688 56.454 55.803 -0.062 0.000 0.865 323 Q CB -0.179 28.499 28.738 -0.101 0.000 0.922 323 Q HN 0.385 nan 8.270 nan 0.000 0.445 324 V N 0.095 119.995 119.914 -0.023 0.000 2.379 324 V HA -0.200 3.900 4.120 -0.034 0.000 0.245 324 V C 1.916 178.101 176.094 0.151 0.000 1.044 324 V CA 1.380 63.730 62.300 0.084 0.000 1.036 324 V CB -0.323 31.558 31.823 0.097 0.000 0.664 324 V HN 0.344 nan 8.190 nan 0.000 0.453 325 I N 0.553 121.192 120.570 0.115 0.000 2.226 325 I HA -0.247 3.903 4.170 -0.034 0.000 0.245 325 I C 2.619 178.840 176.117 0.174 0.000 1.100 325 I CA 1.588 62.981 61.300 0.155 0.000 1.374 325 I CB -0.536 37.516 38.000 0.088 0.000 1.057 325 I HN 0.280 nan 8.210 nan 0.000 0.413 326 A N -0.004 122.875 122.820 0.099 0.000 1.930 326 A HA -0.275 4.024 4.320 -0.034 0.000 0.217 326 A C 2.235 179.902 177.584 0.137 0.000 1.175 326 A CA 1.879 53.986 52.037 0.117 0.000 0.627 326 A CB -0.583 18.446 19.000 0.049 0.000 0.815 326 A HN 0.446 nan 8.150 nan 0.000 0.443 327 Q N -1.456 118.379 119.800 0.059 0.000 2.084 327 Q HA -0.211 4.109 4.340 -0.034 0.000 0.202 327 Q C 1.853 177.699 176.000 -0.256 0.000 0.978 327 Q CA 2.152 57.887 55.803 -0.114 0.000 0.844 327 Q CB -0.605 28.124 28.738 -0.015 0.000 0.898 327 Q HN 0.672 nan 8.270 nan 0.000 0.426 328 Y N -0.199 120.021 120.300 -0.133 0.000 2.181 328 Y HA -0.276 4.253 4.550 -0.035 0.000 0.288 328 Y C 2.027 177.981 175.900 0.090 0.000 1.146 328 Y CA 1.824 59.904 58.100 -0.033 0.000 1.164 328 Y CB -0.823 37.689 38.460 0.087 0.000 0.982 328 Y HN 0.378 nan 8.280 nan 0.000 0.515 329 Y N 1.273 121.534 120.300 -0.064 0.000 2.128 329 Y HA -0.245 4.290 4.550 -0.026 0.000 0.284 329 Y C 2.221 178.089 175.900 -0.054 0.000 1.154 329 Y CA 2.267 60.314 58.100 -0.088 0.000 1.149 329 Y CB -0.507 37.946 38.460 -0.011 0.000 0.976 329 Y HN 0.111 nan 8.280 nan 0.000 0.505 330 E N 0.041 120.139 120.200 -0.171 0.000 2.049 330 E HA -0.203 4.127 4.350 -0.034 0.000 0.198 330 E C 2.143 178.785 176.600 0.070 0.000 1.007 330 E CA 1.501 57.793 56.400 -0.180 0.000 0.809 330 E CB -0.868 28.837 29.700 0.008 0.000 0.749 330 E HN 0.458 nan 8.360 nan 0.000 0.450 331 F N 0.898 120.882 119.950 0.057 0.000 2.069 331 F HA -0.127 4.382 4.527 -0.031 0.000 0.298 331 F C 2.559 178.324 175.800 -0.059 0.000 1.113 331 F CA 0.505 58.561 58.000 0.093 0.000 1.214 331 F CB -1.257 37.773 39.000 0.050 0.000 0.978 331 F HN 0.004 nan 8.300 nan 0.000 0.474 332 L N 0.226 121.412 121.223 -0.062 0.000 2.042 332 L HA -0.237 4.082 4.340 -0.034 0.000 0.210 332 L C 2.694 179.501 176.870 -0.105 0.000 1.076 332 L CA 1.930 56.675 54.840 -0.157 0.000 0.749 332 L CB -0.433 41.429 42.059 -0.328 0.000 0.893 332 L HN 0.219 nan 8.230 nan 0.000 0.432 333 R N -0.548 119.841 120.500 -0.185 0.000 2.161 333 R HA -0.041 4.278 4.340 -0.034 0.000 0.213 333 R C 1.860 178.076 176.300 -0.139 0.000 1.055 333 R CA 0.710 56.692 56.100 -0.197 0.000 0.996 333 R CB -0.119 29.944 30.300 -0.395 0.000 0.901 333 R HN 0.320 nan 8.270 nan 0.000 0.456 334 L N 0.493 121.650 121.223 -0.110 0.000 2.269 334 L HA 0.284 4.604 4.340 -0.034 0.000 0.200 334 L C 1.288 178.175 176.870 0.027 0.000 1.069 334 L CA 0.529 55.316 54.840 -0.087 0.000 0.804 334 L CB -0.693 41.213 42.059 -0.255 0.000 0.987 334 L HN 0.506 nan 8.230 nan 0.000 0.468 335 G N 0.617 109.487 108.800 0.118 0.000 2.682 335 G HA2 -0.346 3.594 3.960 -0.034 0.000 0.256 335 G HA3 -0.346 3.594 3.960 -0.034 0.000 0.256 335 G C 0.563 175.536 174.900 0.122 0.000 1.333 335 G CA 0.470 45.633 45.100 0.105 0.000 0.904 335 G HN 0.258 nan 8.290 nan 0.000 0.569 336 R N -0.008 120.555 120.500 0.105 0.000 2.075 336 R HA -0.023 4.297 4.340 -0.034 0.000 0.232 336 R C 2.592 178.943 176.300 0.084 0.000 1.126 336 R CA 1.568 57.764 56.100 0.161 0.000 0.963 336 R CB -0.334 30.094 30.300 0.214 0.000 0.858 336 R HN 0.749 nan 8.270 nan 0.000 0.435 337 E N 0.279 120.517 120.200 0.063 0.000 2.085 337 E HA -0.169 4.161 4.350 -0.034 0.000 0.194 337 E C 1.987 178.587 176.600 0.000 0.000 0.994 337 E CA 1.482 57.904 56.400 0.038 0.000 0.801 337 E CB -0.145 29.571 29.700 0.027 0.000 0.743 337 E HN 0.423 nan 8.360 nan 0.000 0.453 338 G N -0.594 108.192 108.800 -0.024 0.000 2.394 338 G HA2 -0.245 3.695 3.960 -0.034 0.000 0.214 338 G HA3 -0.245 3.695 3.960 -0.034 0.000 0.214 338 G C 1.185 175.987 174.900 -0.163 0.000 1.176 338 G CA 0.662 45.709 45.100 -0.090 0.000 0.786 338 G HN 0.289 nan 8.290 nan 0.000 0.533 339 Y N 1.392 121.498 120.300 -0.323 0.000 2.293 339 Y HA -0.081 4.450 4.550 -0.033 0.000 0.291 339 Y C 3.308 178.984 175.900 -0.373 0.000 1.137 339 Y CA 1.686 59.472 58.100 -0.523 0.000 1.202 339 Y CB -0.239 37.419 38.460 -1.337 0.000 0.990 339 Y HN 0.145 nan 8.280 nan 0.000 0.537 340 T N -0.315 114.185 114.554 -0.090 0.000 2.674 340 T HA -0.198 4.132 4.350 -0.034 0.000 0.265 340 T C 1.820 176.559 174.700 0.064 0.000 1.039 340 T CA 1.753 63.904 62.100 0.084 0.000 1.150 340 T CB -0.186 68.762 68.868 0.133 0.000 0.864 340 T HN 0.183 nan 8.240 nan 0.000 0.427 341 K N 0.494 120.900 120.400 0.010 0.000 2.063 341 K HA -0.051 4.249 4.320 -0.034 0.000 0.208 341 K C 2.261 178.851 176.600 -0.017 0.000 1.048 341 K CA 0.825 57.111 56.287 -0.003 0.000 0.928 341 K CB -0.554 31.930 32.500 -0.028 0.000 0.713 341 K HN 0.104 nan 8.250 nan 0.000 0.442 342 V N 1.626 121.502 119.914 -0.063 0.000 2.233 342 V HA -0.287 3.812 4.120 -0.034 0.000 0.247 342 V C 2.322 178.431 176.094 0.026 0.000 1.050 342 V CA 1.740 63.997 62.300 -0.073 0.000 1.010 342 V CB -0.474 31.245 31.823 -0.173 0.000 0.637 342 V HN 0.378 nan 8.190 nan 0.000 0.444 343 Q N -0.089 119.775 119.800 0.108 0.000 2.167 343 Q HA -0.190 4.129 4.340 -0.034 0.000 0.202 343 Q C 1.972 178.124 176.000 0.254 0.000 0.970 343 Q CA 1.633 57.557 55.803 0.200 0.000 0.855 343 Q CB -0.827 28.112 28.738 0.335 0.000 0.911 343 Q HN 0.744 nan 8.270 nan 0.000 0.438 344 N N 1.017 119.848 118.700 0.219 0.000 2.104 344 N HA -0.145 4.574 4.740 -0.034 0.000 0.190 344 N C 1.838 177.433 175.510 0.140 0.000 1.024 344 N CA 1.173 54.345 53.050 0.204 0.000 0.853 344 N CB -0.132 38.425 38.487 0.117 0.000 1.008 344 N HN 0.291 nan 8.380 nan 0.000 0.424 345 A N 0.549 123.410 122.820 0.069 0.000 1.873 345 A HA -0.204 4.096 4.320 -0.034 0.000 0.218 345 A C 2.343 179.945 177.584 0.030 0.000 1.193 345 A CA 1.901 53.951 52.037 0.022 0.000 0.629 345 A CB -0.885 18.099 19.000 -0.028 0.000 0.826 345 A HN 0.233 nan 8.150 nan 0.000 0.447 346 S N -1.473 114.243 115.700 0.028 0.000 2.359 346 S HA -0.165 4.285 4.470 -0.034 0.000 0.224 346 S C 1.855 176.436 174.600 -0.032 0.000 1.035 346 S CA 1.657 59.855 58.200 -0.002 0.000 1.018 346 S CB -0.601 62.593 63.200 -0.010 0.000 0.876 346 S HN 0.626 nan 8.310 nan 0.000 0.448 347 Y N 2.115 122.438 120.300 0.039 0.000 2.165 347 Y HA -0.185 4.345 4.550 -0.033 0.000 0.286 347 Y C 2.689 178.604 175.900 0.025 0.000 1.155 347 Y CA 1.247 59.357 58.100 0.016 0.000 1.164 347 Y CB -0.620 37.840 38.460 -0.000 0.000 0.978 347 Y HN 0.326 nan 8.280 nan 0.000 0.513 348 Q N -0.716 119.185 119.800 0.168 0.000 2.096 348 Q HA -0.182 4.138 4.340 -0.034 0.000 0.204 348 Q C 2.366 178.421 176.000 0.091 0.000 0.982 348 Q CA 1.988 57.850 55.803 0.098 0.000 0.850 348 Q CB -0.384 28.381 28.738 0.045 0.000 0.901 348 Q HN 0.335 nan 8.270 nan 0.000 0.422 349 V N 0.745 120.701 119.914 0.070 0.000 2.343 349 V HA -0.289 3.810 4.120 -0.034 0.000 0.247 349 V C 2.229 178.417 176.094 0.157 0.000 1.051 349 V CA 1.823 64.177 62.300 0.090 0.000 1.036 349 V CB -0.992 30.854 31.823 0.038 0.000 0.654 349 V HN 0.402 nan 8.190 nan 0.000 0.451 350 A N 0.136 123.030 122.820 0.124 0.000 1.858 350 A HA -0.124 4.176 4.320 -0.034 0.000 0.216 350 A C 2.483 180.114 177.584 0.078 0.000 1.190 350 A CA 2.178 54.278 52.037 0.105 0.000 0.617 350 A CB -1.025 18.015 19.000 0.067 0.000 0.827 350 A HN 0.572 nan 8.150 nan 0.000 0.443 351 A N -1.221 121.654 122.820 0.091 0.000 1.903 351 A HA -0.238 4.062 4.320 -0.034 0.000 0.219 351 A C 2.201 179.801 177.584 0.027 0.000 1.191 351 A CA 2.080 54.143 52.037 0.045 0.000 0.638 351 A CB -1.004 18.036 19.000 0.067 0.000 0.823 351 A HN 0.907 nan 8.150 nan 0.000 0.451 352 Y N 0.128 120.403 120.300 -0.042 0.000 2.200 352 Y HA -0.086 4.443 4.550 -0.034 0.000 0.290 352 Y C 1.937 177.789 175.900 -0.081 0.000 1.137 352 Y CA 1.698 59.762 58.100 -0.061 0.000 1.163 352 Y CB -0.336 38.093 38.460 -0.052 0.000 0.988 352 Y HN 0.202 nan 8.280 nan 0.000 0.518 353 L N -0.197 120.922 121.223 -0.174 0.000 2.083 353 L HA -0.201 4.118 4.340 -0.034 0.000 0.209 353 L C 2.747 179.446 176.870 -0.286 0.000 1.083 353 L CA 1.099 55.784 54.840 -0.259 0.000 0.752 353 L CB -0.827 41.215 42.059 -0.028 0.000 0.899 353 L HN 0.398 nan 8.230 nan 0.000 0.433 354 A N -0.091 122.591 122.820 -0.230 0.000 1.873 354 A HA -0.215 4.084 4.320 -0.034 0.000 0.215 354 A C 1.872 179.163 177.584 -0.489 0.000 1.186 354 A CA 1.916 53.739 52.037 -0.357 0.000 0.616 354 A CB -0.469 18.334 19.000 -0.328 0.000 0.823 354 A HN 0.339 nan 8.150 nan 0.000 0.442 355 D N -0.125 120.054 120.400 -0.368 0.000 2.117 355 D HA -0.103 4.517 4.640 -0.034 0.000 0.198 355 D C 1.908 178.023 176.300 -0.308 0.000 0.982 355 D CA 1.158 54.967 54.000 -0.317 0.000 0.828 355 D CB -0.270 40.403 40.800 -0.212 0.000 0.967 355 D HN 0.428 nan 8.370 nan 0.000 0.464 356 E N 0.232 120.190 120.200 -0.403 0.000 2.107 356 E HA -0.034 4.296 4.350 -0.034 0.000 0.191 356 E C 2.405 178.818 176.600 -0.311 0.000 0.982 356 E CA 0.258 56.427 56.400 -0.385 0.000 0.809 356 E CB -0.014 29.336 29.700 -0.582 0.000 0.756 356 E HN 0.393 nan 8.360 nan 0.000 0.459 357 I N 0.997 121.357 120.570 -0.349 0.000 2.439 357 I HA -0.160 3.990 4.170 -0.034 0.000 0.251 357 I C 2.380 178.481 176.117 -0.027 0.000 1.139 357 I CA 0.645 61.723 61.300 -0.369 0.000 1.438 357 I CB -0.217 37.445 38.000 -0.564 0.000 1.085 357 I HN -0.035 nan 8.210 nan 0.000 0.427 358 A N 0.861 123.699 122.820 0.030 0.000 2.019 358 A HA -0.205 4.095 4.320 -0.034 0.000 0.219 358 A C 2.167 179.802 177.584 0.086 0.000 1.164 358 A CA 1.468 53.641 52.037 0.226 0.000 0.644 358 A CB -0.391 18.619 19.000 0.016 0.000 0.805 358 A HN 0.345 nan 8.150 nan 0.000 0.449 359 K N -0.635 119.754 120.400 -0.019 0.000 2.486 359 K HA 0.195 4.495 4.320 -0.034 0.000 0.194 359 K C 0.779 177.358 176.600 -0.035 0.000 1.033 359 K CA 0.438 56.701 56.287 -0.040 0.000 1.004 359 K CB -0.045 32.416 32.500 -0.066 0.000 0.798 359 K HN 0.486 nan 8.250 nan 0.000 0.495 360 L N -0.745 120.476 121.223 -0.004 0.000 2.693 360 L HA 0.261 4.581 4.340 -0.034 0.000 0.235 360 L C 0.783 177.644 176.870 -0.016 0.000 1.127 360 L CA -0.495 54.365 54.840 0.034 0.000 0.914 360 L CB 0.904 43.012 42.059 0.081 0.000 1.193 360 L HN 0.078 nan 8.230 nan 0.000 0.502 361 G N -0.050 108.539 108.800 -0.352 0.000 2.506 361 G HA2 0.364 4.303 3.960 -0.034 0.000 0.292 361 G HA3 0.364 4.303 3.960 -0.034 0.000 0.292 361 G C -3.066 171.302 174.900 -0.886 0.000 1.425 361 G CA -0.493 44.183 45.100 -0.707 0.000 0.788 361 G HN -0.320 nan 8.290 nan 0.000 0.490 362 P HA 0.359 nan 4.420 nan 0.000 0.241 362 P C -1.397 175.745 177.300 -0.264 0.000 1.780 362 P CA -0.188 62.713 63.100 -0.333 0.000 1.111 362 P CB -0.250 31.334 31.700 -0.194 0.000 1.852 363 Y N 0.097 120.389 120.300 -0.014 0.000 2.457 363 Y HA 0.498 5.028 4.550 -0.033 0.000 0.333 363 Y C 0.957 176.795 175.900 -0.102 0.000 1.119 363 Y CA -1.469 56.572 58.100 -0.100 0.000 1.143 363 Y CB 1.701 39.956 38.460 -0.342 0.000 1.230 363 Y HN 0.272 nan 8.280 nan 0.000 0.469 364 E N 2.190 122.413 120.200 0.038 0.000 2.199 364 E HA 0.427 4.757 4.350 -0.034 0.000 0.265 364 E C -1.927 174.641 176.600 -0.053 0.000 0.882 364 E CA -0.586 55.844 56.400 0.050 0.000 0.759 364 E CB 0.877 30.611 29.700 0.057 0.000 1.148 364 E HN 0.495 nan 8.360 nan 0.000 0.412 365 F N 4.727 124.758 119.950 0.135 0.000 2.404 365 F HA 0.332 4.838 4.527 -0.034 0.000 0.354 365 F C 1.058 176.926 175.800 0.114 0.000 1.122 365 F CA -0.421 57.661 58.000 0.137 0.000 1.080 365 F CB 0.976 40.028 39.000 0.088 0.000 1.131 365 F HN 0.556 nan 8.300 nan 0.000 0.471 366 I N 1.433 122.150 120.570 0.244 0.000 2.716 366 I HA -0.038 4.112 4.170 -0.034 0.000 0.259 366 I C 0.481 176.743 176.117 0.241 0.000 1.172 366 I CA 0.792 62.221 61.300 0.215 0.000 1.478 366 I CB 0.275 38.371 38.000 0.160 0.000 1.104 366 I HN 0.472 nan 8.210 nan 0.000 0.439 367 C N 0.399 119.854 119.300 0.258 0.000 2.701 367 C HA 0.450 4.890 4.460 -0.034 0.000 0.336 367 C C 0.786 175.890 174.990 0.190 0.000 1.123 367 C CA -0.244 58.883 59.018 0.180 0.000 1.326 367 C CB 0.891 28.709 27.740 0.130 0.000 1.833 367 C HN 0.463 nan 8.230 nan 0.000 0.473 368 T N 0.311 114.916 114.554 0.086 0.000 3.288 368 T HA 0.414 4.743 4.350 -0.034 0.000 0.293 368 T C 1.080 175.782 174.700 0.003 0.000 1.008 368 T CA 0.758 62.856 62.100 -0.003 0.000 0.929 368 T CB -0.028 68.756 68.868 -0.140 0.000 1.152 368 T HN 2.354 nan 8.240 nan 0.000 0.517 369 G N 2.448 111.277 108.800 0.048 0.000 2.221 369 G HA2 -0.241 3.699 3.960 -0.034 0.000 0.265 369 G HA3 -0.241 3.699 3.960 -0.034 0.000 0.265 369 G C -0.111 174.886 174.900 0.162 0.000 1.041 369 G CA -0.535 44.634 45.100 0.114 0.000 0.807 369 G HN 0.601 nan 8.290 nan 0.000 0.502 370 R N -0.582 119.943 120.500 0.042 0.000 2.357 370 R HA 0.430 4.750 4.340 -0.034 0.000 0.296 370 R C -1.263 174.930 176.300 -0.179 0.000 1.052 370 R CA -2.845 53.228 56.100 -0.045 0.000 0.988 370 R CB 0.467 30.746 30.300 -0.035 0.000 1.025 370 R HN 0.080 nan 8.270 nan 0.000 0.469 371 P HA -0.114 nan 4.420 nan 0.000 0.220 371 P C 0.290 177.460 177.300 -0.218 0.000 1.148 371 P CA 1.131 63.783 63.100 -0.747 0.000 0.803 371 P CB 0.282 31.563 31.700 -0.698 0.000 0.782 372 D N -1.206 119.151 120.400 -0.071 0.000 2.339 372 D HA -0.028 4.592 4.640 -0.034 0.000 0.217 372 D C 1.205 177.655 176.300 0.251 0.000 1.050 372 D CA 0.440 54.503 54.000 0.105 0.000 0.856 372 D CB -0.174 40.662 40.800 0.060 0.000 0.922 372 D HN 0.223 nan 8.370 nan 0.000 0.518 373 E N -0.251 120.016 120.200 0.111 0.000 2.421 373 E HA 0.354 4.684 4.350 -0.034 0.000 0.209 373 E C 0.908 177.337 176.600 -0.285 0.000 0.871 373 E CA 0.236 56.705 56.400 0.115 0.000 1.064 373 E CB 1.378 31.111 29.700 0.056 0.000 1.075 373 E HN 0.304 nan 8.360 nan 0.000 0.513 374 G N 0.995 109.394 108.800 -0.669 0.000 2.393 374 G HA2 0.300 4.240 3.960 -0.034 0.000 0.264 374 G HA3 0.300 4.240 3.960 -0.034 0.000 0.264 374 G C -1.199 173.158 174.900 -0.906 0.000 1.221 374 G CA -0.642 43.642 45.100 -1.360 0.000 0.912 374 G HN 0.093 nan 8.290 nan 0.000 0.483 375 I N -1.443 118.754 120.570 -0.621 0.000 3.078 375 I HA 0.691 4.841 4.170 -0.034 0.000 0.318 375 I C -2.521 173.422 176.117 -0.290 0.000 1.016 375 I CA -2.650 58.412 61.300 -0.397 0.000 1.130 375 I CB 1.830 39.627 38.000 -0.338 0.000 1.397 375 I HN 0.096 nan 8.210 nan 0.000 0.570 376 P HA 0.355 nan 4.420 nan 0.000 0.266 376 P C -1.246 175.978 177.300 -0.127 0.000 1.586 376 P CA 0.045 62.856 63.100 -0.482 0.000 1.088 376 P CB 0.408 31.669 31.700 -0.731 0.000 1.584 377 A N 2.682 125.474 122.820 -0.047 0.000 2.488 377 A HA 0.591 4.891 4.320 -0.034 0.000 0.298 377 A C -1.031 176.587 177.584 0.056 0.000 1.044 377 A CA -0.579 51.459 52.037 0.001 0.000 0.693 377 A CB 1.431 20.427 19.000 -0.007 0.000 1.272 377 A HN 0.154 nan 8.150 nan 0.000 0.402 378 V N 0.660 120.630 119.914 0.094 0.000 2.435 378 V HA 0.597 4.697 4.120 -0.034 0.000 0.290 378 V C -0.284 175.945 176.094 0.224 0.000 1.030 378 V CA -0.517 61.899 62.300 0.194 0.000 0.881 378 V CB 1.137 33.097 31.823 0.228 0.000 0.983 378 V HN 1.078 nan 8.190 nan 0.000 0.445 379 C N 7.857 127.330 119.300 0.288 0.000 2.432 379 C HA 0.862 5.302 4.460 -0.034 0.000 0.334 379 C C -0.805 174.278 174.990 0.154 0.000 1.155 379 C CA -0.763 58.333 59.018 0.129 0.000 1.335 379 C CB -0.178 27.612 27.740 0.084 0.000 1.964 379 C HN 0.842 nan 8.230 nan 0.000 0.444 380 F N 4.315 124.111 119.950 -0.257 0.000 2.629 380 F HA 0.870 5.377 4.527 -0.034 0.000 0.316 380 F C -0.779 174.793 175.800 -0.380 0.000 1.081 380 F CA -0.962 56.741 58.000 -0.495 0.000 0.954 380 F CB 1.166 39.458 39.000 -1.180 0.000 1.337 380 F HN 0.629 nan 8.300 nan 0.000 0.474 381 K N 1.252 121.538 120.400 -0.189 0.000 2.433 381 K HA 0.713 5.013 4.320 -0.034 0.000 0.252 381 K C -1.561 175.065 176.600 0.043 0.000 1.015 381 K CA -0.974 55.214 56.287 -0.164 0.000 0.860 381 K CB 2.217 34.637 32.500 -0.134 0.000 1.359 381 K HN 0.835 nan 8.250 nan 0.000 0.452 382 L N 1.655 122.909 121.223 0.053 0.000 2.439 382 L HA 0.219 4.539 4.340 -0.034 0.000 0.269 382 L C 0.375 177.272 176.870 0.044 0.000 1.179 382 L CA -0.474 54.435 54.840 0.115 0.000 0.828 382 L CB 0.441 42.529 42.059 0.048 0.000 1.106 382 L HN 0.593 nan 8.230 nan 0.000 0.467 383 K N 1.391 121.811 120.400 0.034 0.000 2.436 383 K HA -0.002 4.298 4.320 -0.034 0.000 0.275 383 K C -0.622 175.973 176.600 -0.009 0.000 0.999 383 K CA -0.375 55.916 56.287 0.008 0.000 0.980 383 K CB 0.252 32.748 32.500 -0.006 0.000 0.919 383 K HN 0.392 nan 8.250 nan 0.000 0.484 384 D N 1.669 122.064 120.400 -0.008 0.000 2.487 384 D HA 0.031 4.651 4.640 -0.034 0.000 0.243 384 D C 0.883 177.173 176.300 -0.017 0.000 1.154 384 D CA 1.095 55.088 54.000 -0.012 0.000 0.876 384 D CB 0.461 41.256 40.800 -0.009 0.000 1.161 384 D HN 0.719 nan 8.370 nan 0.000 0.478 385 G N 2.101 110.889 108.800 -0.020 0.000 2.356 385 G HA2 -0.309 3.631 3.960 -0.034 0.000 0.296 385 G HA3 -0.309 3.631 3.960 -0.034 0.000 0.296 385 G C 0.225 175.106 174.900 -0.032 0.000 1.022 385 G CA 0.689 45.775 45.100 -0.023 0.000 0.961 385 G HN 0.543 nan 8.290 nan 0.000 0.510 386 E N -0.578 119.597 120.200 -0.042 0.000 2.277 386 E HA 0.624 4.954 4.350 -0.034 0.000 0.266 386 E C -1.151 175.398 176.600 -0.084 0.000 0.901 386 E CA -0.972 55.392 56.400 -0.061 0.000 0.782 386 E CB 1.494 31.154 29.700 -0.068 0.000 1.228 386 E HN 0.038 nan 8.360 nan 0.000 0.424 387 D N 3.247 123.585 120.400 -0.104 0.000 2.328 387 D HA 0.230 4.850 4.640 -0.034 0.000 0.243 387 D C -2.026 174.171 176.300 -0.171 0.000 1.324 387 D CA -1.373 52.548 54.000 -0.132 0.000 0.966 387 D CB 1.265 42.016 40.800 -0.082 0.000 1.324 387 D HN 0.304 nan 8.370 nan 0.000 0.549 388 P HA 0.261 nan 4.420 nan 0.000 0.249 388 P C 0.831 177.976 177.300 -0.258 0.000 1.229 388 P CA 0.495 63.413 63.100 -0.304 0.000 0.788 388 P CB 0.500 31.916 31.700 -0.474 0.000 1.072 389 G N -0.434 108.221 108.800 -0.241 0.000 2.148 389 G HA2 -0.166 3.774 3.960 -0.034 0.000 0.203 389 G HA3 -0.166 3.774 3.960 -0.034 0.000 0.203 389 G C -0.245 174.700 174.900 0.074 0.000 0.993 389 G CA -0.047 45.025 45.100 -0.047 0.000 0.661 389 G HN 0.554 nan 8.290 nan 0.000 0.518 390 Y N -1.582 118.755 120.300 0.063 0.000 2.656 390 Y HA 0.779 5.309 4.550 -0.033 0.000 0.334 390 Y C -0.052 175.893 175.900 0.075 0.000 1.179 390 Y CA -0.932 57.212 58.100 0.074 0.000 1.050 390 Y CB 0.414 38.922 38.460 0.081 0.000 1.308 390 Y HN 0.680 nan 8.280 nan 0.000 0.456 391 T N -1.187 113.560 114.554 0.322 0.000 2.948 391 T HA 0.471 4.801 4.350 -0.034 0.000 0.285 391 T C 0.590 175.462 174.700 0.286 0.000 1.019 391 T CA -0.973 61.271 62.100 0.241 0.000 1.013 391 T CB 1.172 70.172 68.868 0.221 0.000 1.117 391 T HN 0.836 nan 8.240 nan 0.000 0.533 392 L N -0.374 120.900 121.223 0.085 0.000 2.201 392 L HA -0.009 4.311 4.340 -0.034 0.000 0.212 392 L C 2.280 179.083 176.870 -0.112 0.000 1.105 392 L CA 1.116 55.917 54.840 -0.064 0.000 0.775 392 L CB -0.684 41.205 42.059 -0.283 0.000 0.913 392 L HN 0.700 nan 8.230 nan 0.000 0.440 393 Y N 0.225 120.526 120.300 0.001 0.000 2.224 393 Y HA -0.249 4.281 4.550 -0.034 0.000 0.289 393 Y C 2.478 178.382 175.900 0.007 0.000 1.146 393 Y CA 1.121 59.220 58.100 -0.001 0.000 1.182 393 Y CB -0.467 38.002 38.460 0.014 0.000 0.983 393 Y HN 0.220 nan 8.280 nan 0.000 0.524 394 D N -0.268 120.253 120.400 0.202 0.000 2.097 394 D HA -0.151 4.469 4.640 -0.034 0.000 0.195 394 D C 2.208 178.521 176.300 0.021 0.000 0.989 394 D CA 1.050 55.125 54.000 0.126 0.000 0.827 394 D CB -0.447 40.460 40.800 0.178 0.000 0.966 394 D HN 0.221 nan 8.370 nan 0.000 0.456 395 L N 0.912 122.105 121.223 -0.050 0.000 2.046 395 L HA -0.117 4.203 4.340 -0.034 0.000 0.208 395 L C 2.350 179.127 176.870 -0.156 0.000 1.077 395 L CA 1.544 56.259 54.840 -0.210 0.000 0.747 395 L CB -1.048 40.812 42.059 -0.332 0.000 0.896 395 L HN -0.103 nan 8.230 nan 0.000 0.432 396 S N -0.897 114.751 115.700 -0.087 0.000 2.370 396 S HA -0.286 4.164 4.470 -0.034 0.000 0.226 396 S C 2.078 176.674 174.600 -0.007 0.000 1.033 396 S CA 1.707 59.879 58.200 -0.046 0.000 1.011 396 S CB -0.405 62.786 63.200 -0.015 0.000 0.852 396 S HN 0.641 nan 8.310 nan 0.000 0.457 397 E N -0.155 120.052 120.200 0.012 0.000 2.051 397 E HA -0.201 4.129 4.350 -0.034 0.000 0.192 397 E C 2.316 178.899 176.600 -0.029 0.000 0.991 397 E CA 0.988 57.393 56.400 0.008 0.000 0.799 397 E CB -0.077 29.635 29.700 0.021 0.000 0.748 397 E HN 0.234 nan 8.360 nan 0.000 0.449 398 R N 0.425 120.888 120.500 -0.062 0.000 2.091 398 R HA -0.098 4.222 4.340 -0.034 0.000 0.238 398 R C 2.387 178.654 176.300 -0.056 0.000 1.136 398 R CA 1.012 57.050 56.100 -0.103 0.000 0.959 398 R CB -0.918 29.303 30.300 -0.132 0.000 0.856 398 R HN 0.301 nan 8.270 nan 0.000 0.437 399 L N -0.298 120.908 121.223 -0.029 0.000 2.093 399 L HA -0.075 4.245 4.340 -0.034 0.000 0.208 399 L C 2.553 179.521 176.870 0.163 0.000 1.085 399 L CA 1.070 55.962 54.840 0.086 0.000 0.755 399 L CB -0.312 41.772 42.059 0.043 0.000 0.904 399 L HN 0.153 nan 8.230 nan 0.000 0.435 400 R N 0.165 120.716 120.500 0.085 0.000 2.117 400 R HA -0.190 4.130 4.340 -0.034 0.000 0.243 400 R C 2.206 178.517 176.300 0.018 0.000 1.143 400 R CA 1.380 57.516 56.100 0.060 0.000 0.968 400 R CB -0.346 29.975 30.300 0.036 0.000 0.863 400 R HN 0.346 nan 8.270 nan 0.000 0.444 401 L N -0.219 121.000 121.223 -0.007 0.000 2.362 401 L HA -0.120 4.199 4.340 -0.034 0.000 0.219 401 L C 1.623 178.478 176.870 -0.025 0.000 1.134 401 L CA 1.082 55.899 54.840 -0.039 0.000 0.807 401 L CB -0.048 41.957 42.059 -0.091 0.000 0.927 401 L HN 0.085 nan 8.230 nan 0.000 0.447 402 R N -0.661 119.856 120.500 0.028 0.000 2.466 402 R HA 0.207 4.527 4.340 -0.034 0.000 0.279 402 R C 1.110 177.333 176.300 -0.127 0.000 0.976 402 R CA 0.525 56.645 56.100 0.033 0.000 1.081 402 R CB 0.608 31.019 30.300 0.185 0.000 1.215 402 R HN 0.303 nan 8.270 nan 0.000 0.546 403 G N 0.031 108.746 108.800 -0.142 0.000 2.175 403 G HA2 -0.243 3.697 3.960 -0.034 0.000 0.244 403 G HA3 -0.243 3.697 3.960 -0.034 0.000 0.244 403 G C -0.389 174.326 174.900 -0.309 0.000 0.982 403 G CA -0.338 44.596 45.100 -0.276 0.000 0.641 403 G HN 0.271 nan 8.290 nan 0.000 0.527 404 W N 0.028 121.334 121.300 0.011 0.000 2.512 404 W HA 0.701 5.341 4.660 -0.032 0.000 0.335 404 W C 0.375 176.886 176.519 -0.012 0.000 1.088 404 W CA -0.977 56.371 57.345 0.006 0.000 1.236 404 W CB 1.378 30.850 29.460 0.020 0.000 1.307 404 W HN 0.098 nan 8.180 nan 0.000 0.567 405 Q N 2.364 122.313 119.800 0.249 0.000 2.462 405 Q HA 0.452 4.771 4.340 -0.034 0.000 0.247 405 Q C -1.720 174.343 176.000 0.104 0.000 1.044 405 Q CA -0.306 55.578 55.803 0.135 0.000 0.803 405 Q CB 0.926 29.715 28.738 0.085 0.000 1.190 405 Q HN 0.362 nan 8.270 nan 0.000 0.507 406 V N 7.516 127.477 119.914 0.080 0.000 2.326 406 V HA 0.490 4.590 4.120 -0.034 0.000 0.281 406 V C -2.153 173.940 176.094 -0.003 0.000 1.015 406 V CA -1.646 60.663 62.300 0.016 0.000 0.823 406 V CB 1.415 33.233 31.823 -0.007 0.000 1.009 406 V HN 0.729 nan 8.190 nan 0.000 0.436 407 P HA 0.395 nan 4.420 nan 0.000 0.276 407 P C -0.720 176.547 177.300 -0.056 0.000 1.230 407 P CA -0.066 63.083 63.100 0.081 0.000 0.776 407 P CB 1.651 33.481 31.700 0.218 0.000 0.888 408 A N 4.126 126.897 122.820 -0.081 0.000 2.342 408 A HA 0.858 5.158 4.320 -0.034 0.000 0.323 408 A C -0.722 176.759 177.584 -0.171 0.000 1.125 408 A CA -0.482 51.333 52.037 -0.370 0.000 0.785 408 A CB 0.498 19.200 19.000 -0.497 0.000 1.221 408 A HN 0.560 nan 8.150 nan 0.000 0.463 409 F N -0.754 119.050 119.950 -0.245 0.000 2.741 409 F HA 0.762 5.269 4.527 -0.034 0.000 0.313 409 F C -0.140 175.613 175.800 -0.078 0.000 1.153 409 F CA -0.582 57.378 58.000 -0.067 0.000 0.931 409 F CB 0.913 39.902 39.000 -0.018 0.000 1.335 409 F HN 0.544 nan 8.300 nan 0.000 0.460 410 T N 0.314 115.055 114.554 0.312 0.000 2.928 410 T HA 0.726 5.056 4.350 -0.034 0.000 0.284 410 T C -0.173 174.683 174.700 0.261 0.000 1.008 410 T CA -0.812 61.396 62.100 0.181 0.000 1.057 410 T CB 1.368 70.329 68.868 0.155 0.000 1.018 410 T HN 0.765 nan 8.240 nan 0.000 0.493 411 L N 1.436 122.727 121.223 0.113 0.000 2.466 411 L HA 0.528 4.848 4.340 -0.034 0.000 0.257 411 L C 1.604 178.436 176.870 -0.063 0.000 1.189 411 L CA -0.799 54.055 54.840 0.023 0.000 0.813 411 L CB -0.004 42.013 42.059 -0.070 0.000 1.118 411 L HN 0.979 nan 8.230 nan 0.000 0.471 412 G N -0.658 108.005 108.800 -0.228 0.000 2.525 412 G HA2 0.429 4.369 3.960 -0.034 0.000 0.276 412 G HA3 0.429 4.369 3.960 -0.034 0.000 0.276 412 G C 0.514 175.344 174.900 -0.117 0.000 1.388 412 G CA 0.086 45.088 45.100 -0.163 0.000 1.050 412 G HN 1.030 nan 8.290 nan 0.000 0.520 413 G N -0.542 108.213 108.800 -0.075 0.000 2.614 413 G HA2 -0.328 3.612 3.960 -0.034 0.000 0.303 413 G HA3 -0.328 3.612 3.960 -0.034 0.000 0.303 413 G C 0.917 175.789 174.900 -0.046 0.000 1.270 413 G CA 0.887 45.954 45.100 -0.055 0.000 0.988 413 G HN 0.719 nan 8.290 nan 0.000 0.551 414 E N 0.955 121.125 120.200 -0.050 0.000 2.511 414 E HA 0.362 4.691 4.350 -0.034 0.000 0.196 414 E C 2.033 178.604 176.600 -0.047 0.000 1.066 414 E CA 0.532 56.908 56.400 -0.040 0.000 0.871 414 E CB -0.009 29.669 29.700 -0.037 0.000 0.863 414 E HN 0.730 nan 8.360 nan 0.000 0.520 415 A N 0.467 123.247 122.820 -0.067 0.000 2.640 415 A HA 0.084 4.384 4.320 -0.034 0.000 0.282 415 A C 1.510 179.065 177.584 -0.048 0.000 1.357 415 A CA -0.079 51.917 52.037 -0.069 0.000 0.946 415 A CB -0.186 18.751 19.000 -0.105 0.000 1.065 415 A HN 0.039 nan 8.150 nan 0.000 0.541 416 T N -0.802 113.734 114.554 -0.029 0.000 3.035 416 T HA -0.079 4.251 4.350 -0.034 0.000 0.268 416 T C 1.392 176.097 174.700 0.009 0.000 1.109 416 T CA 1.615 63.712 62.100 -0.005 0.000 1.119 416 T CB -0.300 68.568 68.868 0.001 0.000 0.900 416 T HN 0.499 nan 8.240 nan 0.000 0.503 417 D N 0.332 120.730 120.400 -0.003 0.000 2.312 417 D HA 0.121 4.741 4.640 -0.034 0.000 0.211 417 D C 0.384 176.682 176.300 -0.002 0.000 0.964 417 D CA 0.355 54.357 54.000 0.003 0.000 0.877 417 D CB 0.057 40.853 40.800 -0.006 0.000 0.924 417 D HN 0.425 nan 8.370 nan 0.000 0.515 418 I N 0.912 121.470 120.570 -0.021 0.000 2.353 418 I HA 0.141 4.291 4.170 -0.034 0.000 0.293 418 I C -0.410 175.664 176.117 -0.071 0.000 0.992 418 I CA -0.720 60.551 61.300 -0.049 0.000 1.268 418 I CB 2.012 39.971 38.000 -0.067 0.000 1.387 418 I HN -0.361 nan 8.210 nan 0.000 0.478 419 V N 7.273 127.115 119.914 -0.120 0.000 2.370 419 V HA 0.378 4.477 4.120 -0.034 0.000 0.283 419 V C 0.129 176.003 176.094 -0.366 0.000 1.023 419 V CA -0.629 61.526 62.300 -0.243 0.000 0.857 419 V CB 1.492 33.144 31.823 -0.286 0.000 0.985 419 V HN 0.553 nan 8.190 nan 0.000 0.443 420 V N 2.863 122.456 119.914 -0.534 0.000 2.994 420 V HA 0.780 4.880 4.120 -0.034 0.000 0.318 420 V C -0.465 175.086 176.094 -0.905 0.000 1.085 420 V CA -0.959 60.943 62.300 -0.663 0.000 0.998 420 V CB 2.054 33.542 31.823 -0.559 0.000 1.063 420 V HN 0.894 nan 8.190 nan 0.000 0.447 421 M N 3.450 122.462 119.600 -0.980 0.000 2.321 421 M HA 0.639 5.099 4.480 -0.034 0.000 0.315 421 M C -0.804 175.044 176.300 -0.752 0.000 1.052 421 M CA -0.627 54.113 55.300 -0.933 0.000 0.936 421 M CB 1.478 33.432 32.600 -1.077 0.000 1.639 421 M HN 0.969 nan 8.290 nan 0.000 0.433 422 R N 5.577 125.825 120.500 -0.421 0.000 2.513 422 R HA 0.636 4.956 4.340 -0.034 0.000 0.301 422 R C -2.075 174.176 176.300 -0.081 0.000 0.968 422 R CA -0.484 55.515 56.100 -0.168 0.000 0.872 422 R CB 1.425 31.712 30.300 -0.021 0.000 1.177 422 R HN 0.860 nan 8.270 nan 0.000 0.444 423 I N 4.909 125.462 120.570 -0.029 0.000 2.362 423 I HA 0.309 4.459 4.170 -0.034 0.000 0.289 423 I C -0.066 175.997 176.117 -0.090 0.000 0.994 423 I CA -0.779 60.490 61.300 -0.051 0.000 1.158 423 I CB 1.887 39.896 38.000 0.015 0.000 1.315 423 I HN 0.417 nan 8.210 nan 0.000 0.451 424 M N 5.407 124.897 119.600 -0.184 0.000 2.113 424 M HA 0.257 4.717 4.480 -0.034 0.000 0.352 424 M C -0.919 175.292 176.300 -0.149 0.000 1.170 424 M CA -0.341 54.830 55.300 -0.215 0.000 1.053 424 M CB 1.064 33.407 32.600 -0.428 0.000 1.601 424 M HN 0.556 nan 8.290 nan 0.000 0.459 425 C N 5.977 125.278 119.300 0.001 0.000 2.176 425 C HA 0.476 4.915 4.460 -0.034 0.000 0.329 425 C C 0.893 175.983 174.990 0.165 0.000 1.113 425 C CA -0.810 58.295 59.018 0.145 0.000 1.562 425 C CB -0.832 27.027 27.740 0.197 0.000 2.040 425 C HN 0.830 nan 8.230 nan 0.000 0.460 426 R N 2.258 122.814 120.500 0.093 0.000 2.843 426 R HA 0.611 4.931 4.340 -0.034 0.000 0.232 426 R C -0.014 176.315 176.300 0.049 0.000 1.305 426 R CA -0.885 55.234 56.100 0.032 0.000 1.096 426 R CB 0.832 31.044 30.300 -0.146 0.000 1.455 426 R HN 0.590 nan 8.270 nan 0.000 0.520 427 R N -0.467 120.024 120.500 -0.016 0.000 2.537 427 R HA 0.148 4.467 4.340 -0.034 0.000 0.280 427 R C 0.384 176.589 176.300 -0.159 0.000 1.058 427 R CA 1.632 57.670 56.100 -0.103 0.000 1.057 427 R CB 0.076 30.292 30.300 -0.140 0.000 0.973 427 R HN 0.957 nan 8.270 nan 0.000 0.438 428 G N 3.666 112.276 108.800 -0.316 0.000 2.241 428 G HA2 -0.303 3.637 3.960 -0.034 0.000 0.244 428 G HA3 -0.303 3.637 3.960 -0.034 0.000 0.244 428 G C -0.081 174.699 174.900 -0.199 0.000 0.998 428 G CA 0.146 45.048 45.100 -0.330 0.000 0.621 428 G HN 0.608 nan 8.290 nan 0.000 0.519 429 F N 4.017 123.839 119.950 -0.213 0.000 2.605 429 F HA 0.539 5.045 4.527 -0.035 0.000 0.352 429 F C 0.572 176.378 175.800 0.010 0.000 1.236 429 F CA -1.178 56.736 58.000 -0.144 0.000 1.267 429 F CB -0.043 38.933 39.000 -0.039 0.000 1.632 429 F HN 0.091 nan 8.300 nan 0.000 0.639 430 E N 2.761 122.882 120.200 -0.131 0.000 2.322 430 E HA 0.057 4.386 4.350 -0.034 0.000 0.257 430 E C 1.254 177.779 176.600 -0.124 0.000 1.155 430 E CA -0.492 55.875 56.400 -0.055 0.000 0.936 430 E CB 0.661 30.419 29.700 0.095 0.000 1.130 430 E HN 0.528 nan 8.360 nan 0.000 0.465 431 M N 1.212 120.731 119.600 -0.133 0.000 2.144 431 M HA -0.193 4.266 4.480 -0.034 0.000 0.260 431 M C 1.004 177.202 176.300 -0.170 0.000 1.067 431 M CA 1.718 56.900 55.300 -0.197 0.000 1.095 431 M CB -0.286 32.181 32.600 -0.221 0.000 1.365 431 M HN 0.361 nan 8.290 nan 0.000 0.406 432 D N -1.105 119.211 120.400 -0.141 0.000 2.144 432 D HA -0.122 4.498 4.640 -0.034 0.000 0.200 432 D C 1.832 178.000 176.300 -0.220 0.000 0.978 432 D CA 1.430 55.299 54.000 -0.218 0.000 0.833 432 D CB -0.284 40.320 40.800 -0.326 0.000 0.961 432 D HN 0.424 nan 8.370 nan 0.000 0.470 433 F N 1.454 121.345 119.950 -0.097 0.000 2.367 433 F HA 0.041 4.548 4.527 -0.035 0.000 0.298 433 F C 2.517 178.299 175.800 -0.029 0.000 1.094 433 F CA 0.457 58.498 58.000 0.068 0.000 1.409 433 F CB -0.399 38.691 39.000 0.151 0.000 1.064 433 F HN -0.108 nan 8.300 nan 0.000 0.528 434 A N 0.158 122.839 122.820 -0.232 0.000 1.877 434 A HA -0.162 4.137 4.320 -0.034 0.000 0.216 434 A C 2.225 179.858 177.584 0.082 0.000 1.186 434 A CA 1.505 53.481 52.037 -0.103 0.000 0.620 434 A CB -0.563 18.365 19.000 -0.120 0.000 0.822 434 A HN 0.208 nan 8.150 nan 0.000 0.443 435 E N -0.516 119.730 120.200 0.077 0.000 2.114 435 E HA -0.219 4.110 4.350 -0.034 0.000 0.199 435 E C 1.933 178.590 176.600 0.095 0.000 1.008 435 E CA 1.462 57.921 56.400 0.098 0.000 0.810 435 E CB -0.469 29.249 29.700 0.030 0.000 0.739 435 E HN 0.521 nan 8.360 nan 0.000 0.456 436 L N 0.885 122.185 121.223 0.129 0.000 2.095 436 L HA -0.030 4.290 4.340 -0.034 0.000 0.204 436 L C 2.209 179.226 176.870 0.244 0.000 1.080 436 L CA 1.143 56.113 54.840 0.217 0.000 0.759 436 L CB -0.775 41.467 42.059 0.305 0.000 0.914 436 L HN 0.117 nan 8.230 nan 0.000 0.439 437 L N -0.797 120.471 121.223 0.074 0.000 1.990 437 L HA -0.291 4.029 4.340 -0.034 0.000 0.213 437 L C 2.542 179.344 176.870 -0.114 0.000 1.072 437 L CA 2.126 56.714 54.840 -0.421 0.000 0.755 437 L CB -0.502 41.206 42.059 -0.585 0.000 0.889 437 L HN 0.354 nan 8.230 nan 0.000 0.432 438 L N -0.304 120.907 121.223 -0.020 0.000 2.042 438 L HA -0.287 4.033 4.340 -0.034 0.000 0.210 438 L C 2.553 179.468 176.870 0.074 0.000 1.076 438 L CA 1.595 56.438 54.840 0.004 0.000 0.749 438 L CB -0.410 41.629 42.059 -0.033 0.000 0.893 438 L HN 0.393 nan 8.230 nan 0.000 0.432 439 E N -0.142 120.112 120.200 0.090 0.000 2.038 439 E HA -0.251 4.079 4.350 -0.034 0.000 0.195 439 E C 1.818 178.499 176.600 0.135 0.000 1.000 439 E CA 1.526 57.991 56.400 0.108 0.000 0.803 439 E CB 0.017 29.782 29.700 0.109 0.000 0.750 439 E HN 0.452 nan 8.360 nan 0.000 0.448 440 D N -0.212 120.286 120.400 0.165 0.000 2.104 440 D HA -0.196 4.424 4.640 -0.034 0.000 0.194 440 D C 1.757 178.130 176.300 0.121 0.000 0.994 440 D CA 0.976 55.081 54.000 0.175 0.000 0.830 440 D CB -0.416 40.570 40.800 0.310 0.000 0.959 440 D HN 0.185 nan 8.370 nan 0.000 0.452 441 Y N 1.887 122.166 120.300 -0.036 0.000 2.081 441 Y HA -0.279 4.251 4.550 -0.034 0.000 0.280 441 Y C 2.265 178.160 175.900 -0.009 0.000 1.163 441 Y CA 1.856 59.927 58.100 -0.047 0.000 1.135 441 Y CB -0.100 38.314 38.460 -0.076 0.000 0.970 441 Y HN -0.109 nan 8.280 nan 0.000 0.498 442 K N -0.553 120.020 120.400 0.289 0.000 2.057 442 K HA -0.160 4.140 4.320 -0.034 0.000 0.207 442 K C 2.323 179.001 176.600 0.130 0.000 1.049 442 K CA 1.188 57.593 56.287 0.197 0.000 0.931 442 K CB -0.432 32.146 32.500 0.129 0.000 0.714 442 K HN 0.383 nan 8.250 nan 0.000 0.440 443 A N 0.929 123.817 122.820 0.114 0.000 1.972 443 A HA -0.142 4.157 4.320 -0.034 0.000 0.219 443 A C 2.148 179.790 177.584 0.097 0.000 1.169 443 A CA 1.769 53.870 52.037 0.106 0.000 0.635 443 A CB -0.416 18.646 19.000 0.103 0.000 0.810 443 A HN 0.174 nan 8.150 nan 0.000 0.446 444 S N -0.148 115.572 115.700 0.034 0.000 2.383 444 S HA -0.024 4.425 4.470 -0.034 0.000 0.227 444 S C 1.783 176.366 174.600 -0.027 0.000 1.026 444 S CA 1.165 59.345 58.200 -0.033 0.000 0.981 444 S CB -0.382 62.715 63.200 -0.171 0.000 0.818 444 S HN 0.522 nan 8.310 nan 0.000 0.472 445 L N 1.296 122.497 121.223 -0.037 0.000 2.083 445 L HA -0.112 4.208 4.340 -0.034 0.000 0.209 445 L C 2.624 179.540 176.870 0.078 0.000 1.083 445 L CA 1.203 56.031 54.840 -0.020 0.000 0.752 445 L CB -0.396 41.709 42.059 0.077 0.000 0.899 445 L HN 0.292 nan 8.230 nan 0.000 0.433 446 K N -0.292 120.172 120.400 0.107 0.000 2.001 446 K HA -0.248 4.052 4.320 -0.034 0.000 0.208 446 K C 2.290 178.985 176.600 0.158 0.000 1.048 446 K CA 1.615 57.972 56.287 0.116 0.000 0.932 446 K CB -0.290 32.277 32.500 0.111 0.000 0.715 446 K HN 0.132 nan 8.250 nan 0.000 0.437 447 Y N 1.554 121.905 120.300 0.084 0.000 2.207 447 Y HA -0.215 4.315 4.550 -0.033 0.000 0.287 447 Y C 1.944 177.971 175.900 0.211 0.000 1.156 447 Y CA 1.393 59.599 58.100 0.177 0.000 1.182 447 Y CB -0.045 38.493 38.460 0.131 0.000 0.979 447 Y HN 0.045 nan 8.280 nan 0.000 0.521 448 L N -0.619 120.794 121.223 0.316 0.000 2.042 448 L HA -0.268 4.051 4.340 -0.034 0.000 0.210 448 L C 2.802 179.774 176.870 0.170 0.000 1.076 448 L CA 1.851 56.833 54.840 0.237 0.000 0.749 448 L CB -0.751 41.387 42.059 0.132 0.000 0.893 448 L HN 0.350 nan 8.230 nan 0.000 0.432 449 S N -1.253 114.521 115.700 0.123 0.000 2.414 449 S HA -0.147 4.303 4.470 -0.034 0.000 0.227 449 S C 1.501 176.078 174.600 -0.038 0.000 1.022 449 S CA 1.006 59.249 58.200 0.070 0.000 0.958 449 S CB -0.240 63.006 63.200 0.078 0.000 0.797 449 S HN 0.341 nan 8.310 nan 0.000 0.493 450 D N 0.949 121.272 120.400 -0.130 0.000 2.371 450 D HA 0.077 4.697 4.640 -0.034 0.000 0.221 450 D C -0.200 175.670 176.300 -0.717 0.000 0.986 450 D CA 0.799 54.550 54.000 -0.414 0.000 0.899 450 D CB -0.126 40.352 40.800 -0.536 0.000 0.902 450 D HN 0.678 nan 8.370 nan 0.000 0.530 451 H N -1.813 117.180 119.070 -0.128 0.000 2.514 451 H HA 0.190 4.726 4.556 -0.034 0.000 0.226 451 H C -1.848 173.473 175.328 -0.011 0.000 1.421 451 H CA -1.077 54.902 56.048 -0.115 0.000 1.394 451 H CB 1.334 30.957 29.762 -0.233 0.000 1.701 451 H HN -0.085 nan 8.280 nan 0.000 0.515 452 P HA -0.179 nan 4.420 nan 0.000 0.219 452 P C 1.255 178.604 177.300 0.082 0.000 1.146 452 P CA 1.136 64.279 63.100 0.071 0.000 0.808 452 P CB 0.390 32.109 31.700 0.032 0.000 0.779 453 K N -0.586 119.863 120.400 0.081 0.000 2.286 453 K HA -0.109 4.191 4.320 -0.034 0.000 0.203 453 K C 1.904 178.556 176.600 0.088 0.000 1.045 453 K CA 0.880 57.211 56.287 0.075 0.000 0.935 453 K CB -0.599 31.942 32.500 0.068 0.000 0.737 453 K HN 0.234 nan 8.250 nan 0.000 0.460 454 L N 0.905 122.200 121.223 0.120 0.000 2.201 454 L HA -0.125 4.195 4.340 -0.034 0.000 0.212 454 L C 1.352 178.292 176.870 0.116 0.000 1.105 454 L CA 0.369 55.283 54.840 0.124 0.000 0.775 454 L CB -0.215 41.947 42.059 0.170 0.000 0.913 454 L HN 0.323 nan 8.230 nan 0.000 0.440 455 Q N 0.029 119.903 119.800 0.123 0.000 2.310 455 Q HA -0.004 4.315 4.340 -0.034 0.000 0.315 455 Q C 1.186 177.241 176.000 0.090 0.000 1.081 455 Q CA 1.065 56.941 55.803 0.121 0.000 0.981 455 Q CB 0.404 29.203 28.738 0.102 0.000 1.184 455 Q HN 0.387 nan 8.270 nan 0.000 0.389 456 G N 3.453 112.311 108.800 0.097 0.000 2.245 456 G HA2 -0.317 3.623 3.960 -0.034 0.000 0.264 456 G HA3 -0.317 3.623 3.960 -0.034 0.000 0.264 456 G C 0.610 175.537 174.900 0.045 0.000 0.985 456 G CA 0.558 45.700 45.100 0.069 0.000 0.625 456 G HN 0.704 nan 8.290 nan 0.000 0.536 457 I N 1.450 122.050 120.570 0.050 0.000 2.233 457 I HA 0.186 4.335 4.170 -0.034 0.000 0.243 457 I C 2.135 178.252 176.117 -0.000 0.000 1.093 457 I CA 1.018 62.334 61.300 0.025 0.000 1.380 457 I CB -0.361 37.660 38.000 0.035 0.000 1.067 457 I HN 0.406 nan 8.210 nan 0.000 0.413 458 A N 1.773 124.605 122.820 0.019 0.000 2.450 458 A HA 0.223 4.522 4.320 -0.034 0.000 0.255 458 A C 0.534 178.024 177.584 -0.155 0.000 1.096 458 A CA -0.095 51.934 52.037 -0.015 0.000 0.778 458 A CB 0.006 19.043 19.000 0.060 0.000 1.031 458 A HN 0.546 nan 8.150 nan 0.000 0.494 459 Q N 1.344 120.984 119.800 -0.267 0.000 2.063 459 Q HA 0.250 4.570 4.340 -0.034 0.000 0.258 459 Q C -0.624 175.093 176.000 -0.471 0.000 0.855 459 Q CA -0.424 55.041 55.803 -0.564 0.000 1.057 459 Q CB 0.119 28.647 28.738 -0.350 0.000 1.267 459 Q HN 0.586 nan 8.270 nan 0.000 0.419 460 Q N 1.598 121.229 119.800 -0.282 0.000 2.307 460 Q HA 0.364 4.684 4.340 -0.034 0.000 0.262 460 Q C -0.925 175.122 176.000 0.077 0.000 0.961 460 Q CA -0.252 55.497 55.803 -0.089 0.000 0.882 460 Q CB 1.219 29.949 28.738 -0.013 0.000 1.264 460 Q HN 0.205 nan 8.270 nan 0.000 0.446 461 N N 0.948 119.751 118.700 0.172 0.000 2.374 461 N HA 0.117 4.836 4.740 -0.034 0.000 0.241 461 N C -0.698 174.949 175.510 0.229 0.000 1.262 461 N CA 0.349 53.589 53.050 0.317 0.000 0.880 461 N CB 0.584 39.224 38.487 0.254 0.000 1.105 461 N HN 0.514 nan 8.380 nan 0.000 0.438 462 S N 0.387 116.236 115.700 0.248 0.000 2.713 462 S HA 0.363 4.812 4.470 -0.034 0.000 0.283 462 S C -0.201 174.502 174.600 0.172 0.000 1.161 462 S CA -0.695 57.625 58.200 0.200 0.000 0.999 462 S CB 0.571 63.887 63.200 0.193 0.000 1.039 462 S HN 0.447 nan 8.310 nan 0.000 0.548 463 F N 3.140 123.100 119.950 0.016 0.000 2.571 463 F HA 0.167 4.674 4.527 -0.034 0.000 0.384 463 F C 1.401 177.132 175.800 -0.115 0.000 1.058 463 F CA -0.120 57.862 58.000 -0.030 0.000 1.200 463 F CB 0.370 39.373 39.000 0.004 0.000 1.077 463 F HN 0.616 nan 8.300 nan 0.000 0.558 464 K N 4.275 124.182 120.400 -0.822 0.000 2.402 464 K HA 0.076 4.376 4.320 -0.034 0.000 0.203 464 K C 0.557 176.553 176.600 -1.008 0.000 1.077 464 K CA 0.137 55.835 56.287 -0.982 0.000 1.051 464 K CB -0.039 31.581 32.500 -1.467 0.000 0.907 464 K HN 0.609 nan 8.250 nan 0.000 0.554 465 H N 0.728 119.069 119.070 -1.215 0.000 2.553 465 H HA 0.179 4.714 4.556 -0.034 0.000 0.265 465 H C -0.017 175.050 175.328 -0.435 0.000 0.964 465 H CA 0.844 56.428 56.048 -0.774 0.000 1.156 465 H CB 1.065 30.480 29.762 -0.578 0.000 1.411 465 H HN 0.288 nan 8.280 nan 0.000 0.558 466 T N 0.000 114.444 114.554 -0.183 0.000 3.816 466 T HA 0.000 4.330 4.350 -0.034 0.000 0.228 466 T CA 0.000 62.228 62.100 0.214 0.000 1.349 466 T CB 0.000 68.951 68.868 0.138 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658