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 2hne_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRTIIALETH DVRFPTSREX XXSDAMNPDP DYSAAYVVLR TDGAEDLAGY DATA SEQUENCE GLVFTIGRGN DVQTAAVAAL AEHVVGLSVD KVIADLGAFA RRLTNDSQLR DATA SEQUENCE WLGPEKGVMH MAIGAVINAA WDLAARAANK PLWRFIAELT PEQLVDTIDF DATA SEQUENCE RYLSDALTRD EALAILRDAQ PQRAARTATL IEQGYPAYTT SPGWLGYSDE DATA SEQUENCE KLVRLAKEAV ADGFRTIKLK VGANVQDDIR RCRLARAAIG PDIAMAVDAN DATA SEQUENCE QRWDVGPAID WMRQLAEFDI AWIEEPTSPD DVLGHAAIRQ GITPVPVSTG DATA SEQUENCE EHTQNRVVFK QLLQAGAVDL IQIDAARVGG VNENLAILLL AAKFGVRVFP DATA SEQUENCE HAGGVGLCEL VQHLAMADFV AITGKMEDRA IEFVDHLHQH FLDPVRIQHG DATA SEQUENCE RYLAPEVPGF SAEMHPASIA EFSYPDGRFW VEDLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 2 R N 2.317 122.806 120.500 -0.018 0.000 2.582 2 R HA 0.730 5.070 4.340 -0.000 0.000 0.271 2 R C -0.936 175.352 176.300 -0.019 0.000 1.078 2 R CA -0.462 55.626 56.100 -0.020 0.000 1.127 2 R CB 0.737 31.021 30.300 -0.028 0.000 1.038 2 R HN 0.562 nan 8.270 nan 0.000 0.500 3 T N 1.888 116.432 114.554 -0.016 0.000 2.907 3 T HA 0.404 4.754 4.350 -0.000 0.000 0.292 3 T C 0.215 174.907 174.700 -0.013 0.000 1.043 3 T CA -0.768 61.325 62.100 -0.011 0.000 1.003 3 T CB 1.523 70.389 68.868 -0.004 0.000 1.084 3 T HN 0.419 nan 8.240 nan 0.000 0.483 4 I N 3.231 123.798 120.570 -0.006 0.000 2.379 4 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 4 I C 1.486 177.604 176.117 0.002 0.000 1.063 4 I CA -0.149 61.147 61.300 -0.006 0.000 1.351 4 I CB 0.622 38.631 38.000 0.016 0.000 1.410 4 I HN 0.690 nan 8.210 nan 0.000 0.505 5 I N 3.293 123.860 120.570 -0.005 0.000 3.462 5 I HA 0.513 4.682 4.170 -0.000 0.000 0.290 5 I C 0.788 176.908 176.117 0.004 0.000 1.236 5 I CA 0.129 61.430 61.300 0.001 0.000 1.418 5 I CB 0.251 38.251 38.000 0.000 0.000 1.102 5 I HN 0.527 nan 8.210 nan 0.000 0.441 6 A N 1.231 124.051 122.820 0.000 0.000 2.601 6 A HA 0.705 5.025 4.320 -0.000 0.000 0.291 6 A C -1.934 175.649 177.584 -0.002 0.000 1.075 6 A CA -0.508 51.531 52.037 0.003 0.000 0.671 6 A CB 1.521 20.524 19.000 0.005 0.000 1.277 6 A HN 0.191 nan 8.150 nan 0.000 0.417 7 L N 1.184 122.409 121.223 0.003 0.000 2.366 7 L HA 0.491 4.831 4.340 -0.000 0.000 0.266 7 L C -0.397 176.467 176.870 -0.010 0.000 1.010 7 L CA 0.146 54.986 54.840 -0.001 0.000 0.879 7 L CB 0.822 42.893 42.059 0.020 0.000 1.228 7 L HN 0.709 nan 8.230 nan 0.000 0.439 8 E N 2.470 122.662 120.200 -0.012 0.000 2.313 8 E HA 0.487 4.837 4.350 -0.000 0.000 0.276 8 E C -0.407 176.180 176.600 -0.021 0.000 1.031 8 E CA -0.212 56.182 56.400 -0.011 0.000 0.857 8 E CB 0.930 30.685 29.700 0.093 0.000 1.040 8 E HN 0.622 nan 8.360 nan 0.000 0.408 9 T N 0.627 115.105 114.554 -0.128 0.000 2.886 9 T HA 0.535 4.885 4.350 -0.000 0.000 0.292 9 T C -0.874 173.686 174.700 -0.233 0.000 1.012 9 T CA -1.008 61.055 62.100 -0.062 0.000 0.982 9 T CB 1.042 69.894 68.868 -0.026 0.000 1.018 9 T HN 0.403 nan 8.240 nan 0.000 0.451 10 H N 0.564 119.740 119.070 0.176 0.000 2.679 10 H HA 0.531 5.087 4.556 -0.000 0.000 0.360 10 H C -1.175 174.239 175.328 0.144 0.000 1.105 10 H CA -0.678 55.476 56.048 0.176 0.000 1.196 10 H CB 1.680 31.590 29.762 0.247 0.000 1.636 10 H HN 0.651 nan 8.280 nan 0.000 0.531 11 D N 3.438 123.955 120.400 0.195 0.000 2.411 11 D HA 0.184 4.824 4.640 -0.000 0.000 0.225 11 D C -0.833 175.526 176.300 0.098 0.000 1.156 11 D CA -0.229 53.839 54.000 0.113 0.000 0.874 11 D CB 0.373 41.224 40.800 0.085 0.000 1.034 11 D HN 0.211 nan 8.370 nan 0.000 0.502 12 V N 5.756 125.697 119.914 0.045 0.000 2.417 12 V HA 0.529 4.649 4.120 -0.000 0.000 0.291 12 V C 0.205 176.170 176.094 -0.216 0.000 1.024 12 V CA -0.832 61.421 62.300 -0.078 0.000 0.861 12 V CB 1.494 33.226 31.823 -0.152 0.000 0.985 12 V HN 0.404 nan 8.190 nan 0.000 0.436 13 R N 4.250 124.612 120.500 -0.229 0.000 2.575 13 R HA 0.620 4.960 4.340 -0.000 0.000 0.293 13 R C -1.790 174.464 176.300 -0.077 0.000 0.983 13 R CA -0.526 55.462 56.100 -0.188 0.000 0.887 13 R CB 1.818 31.939 30.300 -0.298 0.000 1.184 13 R HN 0.464 nan 8.270 nan 0.000 0.445 14 F N 2.914 122.914 119.950 0.082 0.000 2.420 14 F HA 0.352 4.879 4.527 -0.000 0.000 0.342 14 F C -1.461 174.300 175.800 -0.064 0.000 1.113 14 F CA -2.728 55.120 58.000 -0.254 0.000 1.059 14 F CB 1.571 40.254 39.000 -0.529 0.000 1.128 14 F HN 0.302 nan 8.300 nan 0.000 0.475 15 P HA 0.026 nan 4.420 nan 0.000 0.225 15 P C 0.753 178.004 177.300 -0.083 0.000 1.768 15 P CA 0.116 63.226 63.100 0.015 0.000 0.943 15 P CB -0.488 31.095 31.700 -0.195 0.000 1.936 16 T N -2.785 111.695 114.554 -0.122 0.000 2.962 16 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 16 T C 1.789 176.341 174.700 -0.247 0.000 1.088 16 T CA 1.317 63.236 62.100 -0.302 0.000 1.127 16 T CB -0.883 67.631 68.868 -0.590 0.000 0.883 16 T HN 0.286 nan 8.240 nan 0.000 0.493 17 S N 1.365 116.997 115.700 -0.112 0.000 2.507 17 S HA 0.002 4.472 4.470 -0.000 0.000 0.235 17 S C 1.913 176.486 174.600 -0.045 0.000 0.988 17 S CA -0.147 58.011 58.200 -0.070 0.000 0.944 17 S CB -0.409 62.794 63.200 0.004 0.000 0.762 17 S HN 0.291 nan 8.310 nan 0.000 0.526 18 R N 1.366 121.842 120.500 -0.041 0.000 2.285 18 R HA 0.296 4.636 4.340 -0.000 0.000 0.213 18 R C 0.425 176.696 176.300 -0.049 0.000 1.068 18 R CA 0.622 56.712 56.100 -0.016 0.000 1.004 18 R CB -0.518 29.785 30.300 0.005 0.000 0.873 18 R HN 0.577 nan 8.270 nan 0.000 0.467 24 D N 2.681 123.174 120.400 0.156 0.000 2.752 24 D HA 0.711 5.351 4.640 -0.000 0.000 0.313 24 D C 1.169 177.495 176.300 0.042 0.000 1.225 24 D CA -0.287 53.785 54.000 0.120 0.000 0.976 24 D CB 0.426 41.308 40.800 0.136 0.000 1.443 24 D HN 0.536 nan 8.370 nan 0.000 0.515 25 A N -0.543 122.272 122.820 -0.007 0.000 2.024 25 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 25 A C 1.963 179.523 177.584 -0.039 0.000 1.164 25 A CA 2.358 54.376 52.037 -0.031 0.000 0.643 25 A CB -0.754 18.185 19.000 -0.102 0.000 0.806 25 A HN 0.566 nan 8.150 nan 0.000 0.451 26 M N -0.912 118.657 119.600 -0.052 0.000 2.657 26 M HA 0.202 4.682 4.480 -0.000 0.000 0.262 26 M C -0.741 175.552 176.300 -0.012 0.000 1.213 26 M CA 0.684 55.955 55.300 -0.049 0.000 1.182 26 M CB 0.427 32.972 32.600 -0.091 0.000 1.303 26 M HN 0.211 nan 8.290 nan 0.000 0.501 27 N N 1.422 120.129 118.700 0.012 0.000 2.706 27 N HA 0.304 5.044 4.740 -0.000 0.000 0.240 27 N C -2.394 173.142 175.510 0.043 0.000 1.039 27 N CA -1.210 51.860 53.050 0.033 0.000 0.888 27 N CB 0.962 39.483 38.487 0.057 0.000 1.128 27 N HN 0.240 nan 8.380 nan 0.000 0.512 28 P HA -0.048 nan 4.420 nan 0.000 0.220 28 P C -0.270 177.041 177.300 0.018 0.000 1.152 28 P CA 1.256 64.374 63.100 0.029 0.000 0.812 28 P CB 0.370 32.087 31.700 0.028 0.000 0.792 29 D N -1.111 119.299 120.400 0.017 0.000 2.879 29 D HA 0.207 4.847 4.640 -0.000 0.000 0.351 29 D C -2.518 173.792 176.300 0.018 0.000 1.239 29 D CA -2.166 51.838 54.000 0.007 0.000 0.771 29 D CB -0.259 40.550 40.800 0.014 0.000 1.176 29 D HN 0.181 nan 8.370 nan 0.000 0.496 30 P HA 0.204 nan 4.420 nan 0.000 0.271 30 P C -0.561 176.809 177.300 0.117 0.000 1.216 30 P CA 0.017 63.188 63.100 0.118 0.000 0.776 30 P CB 1.267 33.134 31.700 0.278 0.000 0.881 31 D N 2.132 122.619 120.400 0.145 0.000 2.460 31 D HA 0.179 4.819 4.640 -0.000 0.000 0.268 31 D C 0.044 176.510 176.300 0.277 0.000 1.153 31 D CA -0.412 53.677 54.000 0.149 0.000 0.929 31 D CB -0.307 40.549 40.800 0.093 0.000 1.015 31 D HN 0.334 nan 8.370 nan 0.000 0.502 32 Y N 1.016 121.382 120.300 0.110 0.000 2.916 32 Y HA -0.097 4.453 4.550 -0.000 0.000 0.344 32 Y C 1.117 177.202 175.900 0.309 0.000 1.282 32 Y CA 0.183 58.460 58.100 0.295 0.000 1.604 32 Y CB 0.301 38.930 38.460 0.282 0.000 1.207 32 Y HN 0.081 nan 8.280 nan 0.000 0.561 33 S N 1.578 117.477 115.700 0.332 0.000 2.667 33 S HA 0.888 5.357 4.470 -0.000 0.000 0.292 33 S C -0.916 173.829 174.600 0.242 0.000 1.126 33 S CA -0.890 57.421 58.200 0.184 0.000 0.881 33 S CB 2.113 65.293 63.200 -0.032 0.000 1.132 33 S HN 0.714 nan 8.310 nan 0.000 0.492 34 A N 0.546 123.473 122.820 0.178 0.000 2.455 34 A HA 0.802 5.122 4.320 -0.000 0.000 0.300 34 A C -0.800 176.891 177.584 0.178 0.000 1.040 34 A CA -0.651 51.526 52.037 0.233 0.000 0.697 34 A CB 1.199 20.394 19.000 0.325 0.000 1.265 34 A HN 1.128 nan 8.150 nan 0.000 0.407 35 A N 1.878 124.800 122.820 0.170 0.000 2.774 35 A HA 0.523 4.843 4.320 -0.000 0.000 0.326 35 A C -0.625 177.104 177.584 0.242 0.000 1.478 35 A CA -0.251 51.879 52.037 0.154 0.000 1.099 35 A CB -0.596 18.454 19.000 0.084 0.000 1.148 35 A HN 0.996 nan 8.150 nan 0.000 0.519 36 Y N 2.842 123.234 120.300 0.153 0.000 2.465 36 Y HA 0.393 4.943 4.550 -0.000 0.000 0.331 36 Y C -0.176 175.853 175.900 0.215 0.000 1.102 36 Y CA 0.098 58.315 58.100 0.196 0.000 1.358 36 Y CB 0.721 39.305 38.460 0.207 0.000 1.213 36 Y HN 0.402 nan 8.280 nan 0.000 0.525 37 V N 6.547 126.374 119.914 -0.145 0.000 2.628 37 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 37 V C -0.859 175.057 176.094 -0.297 0.000 1.045 37 V CA -1.064 61.153 62.300 -0.139 0.000 0.905 37 V CB 1.670 33.469 31.823 -0.041 0.000 0.997 37 V HN 0.489 nan 8.190 nan 0.000 0.436 38 V N 4.988 124.782 119.914 -0.200 0.000 2.577 38 V HA 0.421 4.541 4.120 -0.000 0.000 0.303 38 V C -0.822 175.148 176.094 -0.205 0.000 1.042 38 V CA -0.503 61.624 62.300 -0.289 0.000 0.872 38 V CB 1.832 33.550 31.823 -0.174 0.000 0.998 38 V HN 0.620 nan 8.190 nan 0.000 0.423 39 L N 6.298 127.363 121.223 -0.264 0.000 2.270 39 L HA 0.499 4.839 4.340 -0.000 0.000 0.286 39 L C 0.465 177.229 176.870 -0.176 0.000 1.059 39 L CA 0.129 54.873 54.840 -0.161 0.000 0.839 39 L CB 0.430 42.403 42.059 -0.143 0.000 1.221 39 L HN 0.483 nan 8.230 nan 0.000 0.431 40 R N 1.560 121.995 120.500 -0.107 0.000 2.410 40 R HA 0.647 4.987 4.340 -0.000 0.000 0.288 40 R C 0.308 176.576 176.300 -0.053 0.000 1.051 40 R CA -0.187 55.865 56.100 -0.079 0.000 1.021 40 R CB 1.391 31.671 30.300 -0.034 0.000 1.032 40 R HN 0.672 nan 8.270 nan 0.000 0.481 41 T N -2.771 111.755 114.554 -0.046 0.000 2.831 41 T HA 0.256 4.606 4.350 -0.000 0.000 0.287 41 T C 0.050 174.740 174.700 -0.017 0.000 1.070 41 T CA -0.797 61.283 62.100 -0.033 0.000 1.010 41 T CB 1.512 70.353 68.868 -0.045 0.000 1.264 41 T HN 0.482 nan 8.240 nan 0.000 0.532 42 D N -0.872 119.521 120.400 -0.013 0.000 2.491 42 D HA 0.342 4.982 4.640 -0.000 0.000 0.228 42 D C 0.867 177.164 176.300 -0.005 0.000 1.183 42 D CA -0.489 53.508 54.000 -0.005 0.000 0.827 42 D CB -0.222 40.577 40.800 -0.003 0.000 0.989 42 D HN 0.763 nan 8.370 nan 0.000 0.494 43 G N -0.334 108.461 108.800 -0.009 0.000 2.857 43 G HA2 0.568 4.528 3.960 -0.000 0.000 0.217 43 G HA3 0.568 4.528 3.960 -0.000 0.000 0.217 43 G C -0.258 174.642 174.900 0.001 0.000 1.357 43 G CA -0.521 44.575 45.100 -0.007 0.000 1.033 43 G HN 0.335 nan 8.290 nan 0.000 0.571 44 A N -0.761 122.061 122.820 0.003 0.000 2.555 44 A HA 0.279 4.599 4.320 -0.000 0.000 0.233 44 A C 1.154 178.751 177.584 0.021 0.000 1.060 44 A CA 0.500 52.545 52.037 0.013 0.000 0.759 44 A CB 0.174 19.182 19.000 0.014 0.000 0.995 44 A HN 0.651 nan 8.150 nan 0.000 0.506 45 E N 0.253 120.473 120.200 0.034 0.000 2.463 45 E HA -0.126 4.224 4.350 -0.000 0.000 0.201 45 E C 0.801 177.444 176.600 0.071 0.000 1.045 45 E CA 1.289 57.719 56.400 0.051 0.000 0.872 45 E CB 0.052 29.788 29.700 0.059 0.000 0.797 45 E HN 0.680 nan 8.360 nan 0.000 0.538 46 D N -0.841 119.594 120.400 0.058 0.000 2.350 46 D HA -0.031 4.609 4.640 -0.000 0.000 0.213 46 D C -0.232 176.100 176.300 0.054 0.000 1.031 46 D CA 0.012 54.056 54.000 0.073 0.000 0.861 46 D CB 0.206 41.038 40.800 0.054 0.000 0.926 46 D HN 0.117 nan 8.370 nan 0.000 0.520 47 L N 1.504 122.739 121.223 0.020 0.000 2.397 47 L HA 0.595 4.935 4.340 -0.000 0.000 0.263 47 L C -0.893 175.948 176.870 -0.050 0.000 1.136 47 L CA -0.031 54.798 54.840 -0.018 0.000 1.019 47 L CB -0.500 41.542 42.059 -0.029 0.000 1.352 47 L HN -0.099 nan 8.230 nan 0.000 0.420 48 A N 2.538 125.315 122.820 -0.073 0.000 2.609 48 A HA 0.848 5.168 4.320 -0.000 0.000 0.291 48 A C -0.513 176.894 177.584 -0.295 0.000 1.096 48 A CA -0.206 51.702 52.037 -0.216 0.000 0.684 48 A CB 1.565 20.389 19.000 -0.293 0.000 1.282 48 A HN 0.608 nan 8.150 nan 0.000 0.412 49 G N -0.448 108.096 108.800 -0.427 0.000 2.461 49 G HA2 0.620 4.580 3.960 -0.000 0.000 0.323 49 G HA3 0.620 4.580 3.960 -0.000 0.000 0.323 49 G C -1.523 173.084 174.900 -0.488 0.000 1.229 49 G CA -0.295 44.622 45.100 -0.305 0.000 0.941 49 G HN 0.492 nan 8.290 nan 0.000 0.477 50 Y N 0.200 120.498 120.300 -0.004 0.000 2.446 50 Y HA 0.762 5.312 4.550 -0.000 0.000 0.345 50 Y C 0.722 176.608 175.900 -0.023 0.000 0.984 50 Y CA -0.392 57.670 58.100 -0.062 0.000 1.058 50 Y CB 2.917 41.377 38.460 -0.001 0.000 1.220 50 Y HN 0.862 nan 8.280 nan 0.000 0.455 51 G N 1.661 110.499 108.800 0.063 0.000 2.649 51 G HA2 0.737 4.696 3.960 -0.000 0.000 0.290 51 G HA3 0.737 4.696 3.960 -0.000 0.000 0.290 51 G C -2.040 172.914 174.900 0.090 0.000 1.426 51 G CA -1.014 44.117 45.100 0.052 0.000 0.794 51 G HN 0.874 nan 8.290 nan 0.000 0.483 52 L N -2.287 118.999 121.223 0.106 0.000 2.672 52 L HA 0.811 5.151 4.340 -0.000 0.000 0.256 52 L C -1.647 175.306 176.870 0.139 0.000 0.946 52 L CA -1.187 53.764 54.840 0.186 0.000 0.889 52 L CB 1.499 43.764 42.059 0.344 0.000 1.441 52 L HN 0.450 nan 8.230 nan 0.000 0.418 53 V N 2.361 122.360 119.914 0.141 0.000 2.427 53 V HA 0.401 4.521 4.120 -0.000 0.000 0.286 53 V C -0.347 175.848 176.094 0.170 0.000 1.034 53 V CA -0.233 62.134 62.300 0.111 0.000 0.893 53 V CB 1.462 33.316 31.823 0.052 0.000 0.982 53 V HN 0.589 nan 8.190 nan 0.000 0.452 54 F N 4.276 124.237 119.950 0.018 0.000 2.410 54 F HA 0.656 5.183 4.527 -0.000 0.000 0.348 54 F C 0.295 176.082 175.800 -0.021 0.000 1.106 54 F CA 0.276 58.279 58.000 0.005 0.000 1.163 54 F CB 1.096 40.086 39.000 -0.016 0.000 1.129 54 F HN 0.520 nan 8.300 nan 0.000 0.516 55 T N 6.707 120.833 114.554 -0.713 0.000 2.865 55 T HA 0.453 4.803 4.350 -0.000 0.000 0.294 55 T C 0.338 174.566 174.700 -0.787 0.000 1.119 55 T CA -0.505 61.207 62.100 -0.646 0.000 1.007 55 T CB 1.467 70.169 68.868 -0.277 0.000 1.225 55 T HN 0.511 nan 8.240 nan 0.000 0.515 56 I N -0.833 119.451 120.570 -0.477 0.000 3.654 56 I HA 0.697 4.867 4.170 -0.000 0.000 0.337 56 I C 0.767 176.812 176.117 -0.119 0.000 1.568 56 I CA -0.444 60.699 61.300 -0.262 0.000 1.115 56 I CB -0.336 37.556 38.000 -0.179 0.000 1.300 56 I HN 0.840 nan 8.210 nan 0.000 0.471 57 G N 1.989 110.693 108.800 -0.160 0.000 2.145 57 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.203 57 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.203 57 G C -0.392 174.365 174.900 -0.239 0.000 1.096 57 G CA -0.828 44.161 45.100 -0.185 0.000 1.282 57 G HN 0.363 nan 8.290 nan 0.000 0.474 58 R N 1.334 121.715 120.500 -0.199 0.000 2.583 58 R HA 0.371 4.711 4.340 -0.000 0.000 0.274 58 R C 1.481 177.689 176.300 -0.154 0.000 0.998 58 R CA 1.753 57.744 56.100 -0.182 0.000 1.081 58 R CB 0.149 30.377 30.300 -0.119 0.000 0.940 58 R HN 2.221 nan 8.270 nan 0.000 0.413 59 G N 1.962 110.677 108.800 -0.142 0.000 2.234 59 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.235 59 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.235 59 G C 0.860 175.693 174.900 -0.112 0.000 0.997 59 G CA 0.384 45.418 45.100 -0.109 0.000 0.623 59 G HN 0.647 nan 8.290 nan 0.000 0.514 60 N N 1.723 120.334 118.700 -0.149 0.000 2.289 60 N HA -0.058 4.682 4.740 -0.000 0.000 0.184 60 N C 1.917 177.380 175.510 -0.079 0.000 1.016 60 N CA 2.039 55.015 53.050 -0.124 0.000 0.872 60 N CB -0.166 38.225 38.487 -0.160 0.000 0.973 60 N HN 0.681 nan 8.380 nan 0.000 0.433 61 D N -0.770 119.580 120.400 -0.083 0.000 2.149 61 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 61 D C 1.835 178.122 176.300 -0.022 0.000 0.972 61 D CA 0.693 54.674 54.000 -0.032 0.000 0.835 61 D CB -0.573 40.219 40.800 -0.013 0.000 0.966 61 D HN 0.132 nan 8.370 nan 0.000 0.476 62 V N 0.897 120.790 119.914 -0.034 0.000 2.307 62 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 62 V C 2.771 178.854 176.094 -0.019 0.000 1.045 62 V CA 1.869 64.155 62.300 -0.024 0.000 1.024 62 V CB -0.800 31.005 31.823 -0.031 0.000 0.651 62 V HN 0.160 nan 8.190 nan 0.000 0.449 63 Q N 0.240 120.022 119.800 -0.029 0.000 2.170 63 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 63 Q C 2.142 178.142 176.000 -0.001 0.000 0.976 63 Q CA 2.389 58.179 55.803 -0.020 0.000 0.858 63 Q CB -0.645 28.072 28.738 -0.035 0.000 0.907 63 Q HN 0.628 nan 8.270 nan 0.000 0.433 64 T N -0.089 114.467 114.554 0.003 0.000 2.857 64 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 64 T C 1.666 176.373 174.700 0.012 0.000 1.048 64 T CA 1.142 63.254 62.100 0.020 0.000 1.139 64 T CB -0.451 68.434 68.868 0.028 0.000 0.874 64 T HN 0.449 nan 8.240 nan 0.000 0.455 65 A N 1.450 124.273 122.820 0.005 0.000 1.933 65 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 65 A C 2.625 180.213 177.584 0.007 0.000 1.175 65 A CA 1.733 53.773 52.037 0.005 0.000 0.628 65 A CB -1.029 17.973 19.000 0.004 0.000 0.814 65 A HN 0.491 nan 8.150 nan 0.000 0.444 66 A N -0.475 122.349 122.820 0.006 0.000 1.908 66 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 66 A C 2.223 179.809 177.584 0.004 0.000 1.181 66 A CA 1.908 53.949 52.037 0.006 0.000 0.627 66 A CB -0.893 18.109 19.000 0.003 0.000 0.818 66 A HN 0.407 nan 8.150 nan 0.000 0.445 67 V N -0.262 119.657 119.914 0.008 0.000 2.358 67 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 67 V C 3.017 179.118 176.094 0.012 0.000 1.047 67 V CA 1.749 64.056 62.300 0.010 0.000 1.035 67 V CB -1.257 30.579 31.823 0.022 0.000 0.658 67 V HN 0.598 nan 8.190 nan 0.000 0.452 68 A N 0.155 122.981 122.820 0.011 0.000 2.024 68 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 68 A C 2.324 179.921 177.584 0.021 0.000 1.164 68 A CA 1.861 53.904 52.037 0.010 0.000 0.643 68 A CB -0.615 18.386 19.000 0.001 0.000 0.806 68 A HN 0.585 nan 8.150 nan 0.000 0.451 69 A N -0.567 122.267 122.820 0.023 0.000 2.119 69 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 69 A C 1.792 179.416 177.584 0.068 0.000 1.153 69 A CA 0.938 52.999 52.037 0.039 0.000 0.692 69 A CB -0.438 18.581 19.000 0.032 0.000 0.799 69 A HN 0.473 nan 8.150 nan 0.000 0.458 70 L N -0.902 120.343 121.223 0.037 0.000 2.599 70 L HA 0.039 4.379 4.340 -0.000 0.000 0.230 70 L C 2.648 179.593 176.870 0.124 0.000 1.141 70 L CA 0.307 55.167 54.840 0.033 0.000 0.877 70 L CB -0.371 41.650 42.059 -0.062 0.000 1.009 70 L HN 0.413 nan 8.230 nan 0.000 0.447 71 A N 0.397 123.275 122.820 0.097 0.000 1.883 71 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 71 A C 2.163 179.798 177.584 0.085 0.000 1.186 71 A CA 1.478 53.562 52.037 0.078 0.000 0.624 71 A CB -0.226 18.800 19.000 0.044 0.000 0.822 71 A HN 0.337 nan 8.150 nan 0.000 0.444 72 E N -0.081 120.171 120.200 0.086 0.000 2.265 72 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 72 E C 1.663 178.232 176.600 -0.051 0.000 0.996 72 E CA 1.088 57.488 56.400 0.000 0.000 0.832 72 E CB -0.553 29.115 29.700 -0.054 0.000 0.756 72 E HN 0.806 nan 8.360 nan 0.000 0.491 73 H N -0.776 118.282 119.070 -0.020 0.000 2.436 73 H HA 0.052 4.608 4.556 -0.000 0.000 0.294 73 H C 1.880 177.185 175.328 -0.038 0.000 1.048 73 H CA 1.040 57.062 56.048 -0.044 0.000 1.353 73 H CB 0.705 30.421 29.762 -0.076 0.000 1.414 73 H HN 0.003 nan 8.280 nan 0.000 0.536 74 V N 1.011 121.000 119.914 0.125 0.000 3.212 74 V HA -0.032 4.088 4.120 -0.000 0.000 0.244 74 V C 1.068 177.220 176.094 0.096 0.000 1.151 74 V CA 0.298 62.676 62.300 0.129 0.000 1.119 74 V CB 0.611 32.544 31.823 0.183 0.000 0.838 74 V HN 0.142 nan 8.190 nan 0.000 0.470 75 V N 0.867 120.818 119.914 0.063 0.000 2.493 75 V HA 0.649 4.769 4.120 -0.000 0.000 0.292 75 V C 1.116 177.226 176.094 0.027 0.000 1.016 75 V CA 0.959 63.282 62.300 0.038 0.000 1.097 75 V CB -0.271 31.567 31.823 0.025 0.000 0.947 75 V HN 0.695 nan 8.190 nan 0.000 0.479 76 G N 3.349 112.164 108.800 0.025 0.000 2.391 76 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.204 76 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.204 76 G C 0.098 175.012 174.900 0.023 0.000 1.012 76 G CA -0.163 44.947 45.100 0.017 0.000 0.651 76 G HN 0.872 nan 8.290 nan 0.000 0.494 77 L N 1.994 123.243 121.223 0.043 0.000 2.506 77 L HA 0.386 4.726 4.340 -0.000 0.000 0.281 77 L C 1.310 178.200 176.870 0.033 0.000 1.228 77 L CA 0.550 55.422 54.840 0.054 0.000 0.850 77 L CB 0.897 43.023 42.059 0.112 0.000 1.110 77 L HN 0.336 nan 8.230 nan 0.000 0.496 78 S N 1.226 116.940 115.700 0.023 0.000 2.523 78 S HA 0.159 4.629 4.470 -0.000 0.000 0.275 78 S C 1.079 175.672 174.600 -0.010 0.000 1.281 78 S CA -0.887 57.315 58.200 0.003 0.000 1.050 78 S CB 1.355 64.556 63.200 0.001 0.000 0.937 78 S HN 0.386 nan 8.310 nan 0.000 0.492 79 V N 4.852 124.748 119.914 -0.031 0.000 2.255 79 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 79 V C 1.946 177.997 176.094 -0.072 0.000 1.051 79 V CA 2.435 64.697 62.300 -0.064 0.000 1.018 79 V CB -0.977 30.805 31.823 -0.069 0.000 0.641 79 V HN 0.854 nan 8.190 nan 0.000 0.445 80 D N -0.316 120.053 120.400 -0.051 0.000 2.133 80 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 80 D C 2.133 178.408 176.300 -0.042 0.000 0.997 80 D CA 1.404 55.376 54.000 -0.046 0.000 0.840 80 D CB -0.268 40.514 40.800 -0.030 0.000 0.947 80 D HN 0.270 nan 8.370 nan 0.000 0.452 81 K N 0.423 120.808 120.400 -0.026 0.000 2.026 81 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 81 K C 1.867 178.458 176.600 -0.015 0.000 1.048 81 K CA 0.732 57.013 56.287 -0.010 0.000 0.929 81 K CB -0.529 31.978 32.500 0.011 0.000 0.713 81 K HN 0.012 nan 8.250 nan 0.000 0.439 82 V N 1.161 121.057 119.914 -0.029 0.000 2.237 82 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 82 V C 2.208 178.192 176.094 -0.183 0.000 1.046 82 V CA 1.651 63.907 62.300 -0.074 0.000 1.007 82 V CB -0.489 31.234 31.823 -0.167 0.000 0.638 82 V HN 0.267 nan 8.190 nan 0.000 0.445 83 I N 0.845 121.294 120.570 -0.202 0.000 2.315 83 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 83 I C 2.578 178.611 176.117 -0.139 0.000 1.125 83 I CA 2.021 63.189 61.300 -0.220 0.000 1.392 83 I CB -1.753 36.140 38.000 -0.180 0.000 1.065 83 I HN 0.338 nan 8.210 nan 0.000 0.424 84 A N -0.724 122.042 122.820 -0.089 0.000 2.066 84 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 84 A C 1.113 178.664 177.584 -0.055 0.000 1.157 84 A CA 1.160 53.165 52.037 -0.053 0.000 0.670 84 A CB -0.168 18.812 19.000 -0.032 0.000 0.804 84 A HN 0.362 nan 8.150 nan 0.000 0.453 85 D N -0.088 120.275 120.400 -0.062 0.000 2.621 85 D HA 0.235 4.875 4.640 -0.000 0.000 0.274 85 D C 0.572 176.852 176.300 -0.034 0.000 1.215 85 D CA -0.376 53.605 54.000 -0.032 0.000 0.810 85 D CB 0.287 41.095 40.800 0.013 0.000 1.248 85 D HN -0.025 nan 8.370 nan 0.000 0.517 86 L N 0.920 122.049 121.223 -0.155 0.000 2.261 86 L HA 0.017 4.357 4.340 -0.000 0.000 0.216 86 L C 2.312 179.227 176.870 0.074 0.000 1.114 86 L CA 1.590 56.310 54.840 -0.199 0.000 0.777 86 L CB -1.338 40.283 42.059 -0.729 0.000 0.910 86 L HN 0.376 nan 8.230 nan 0.000 0.440 87 G N -0.522 108.325 108.800 0.078 0.000 2.404 87 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.215 87 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.215 87 G C 1.744 176.717 174.900 0.121 0.000 1.174 87 G CA 0.839 46.015 45.100 0.127 0.000 0.780 87 G HN 0.465 nan 8.290 nan 0.000 0.537 88 A N 0.270 123.151 122.820 0.101 0.000 1.930 88 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 88 A C 2.148 179.793 177.584 0.102 0.000 1.175 88 A CA 1.472 53.561 52.037 0.086 0.000 0.627 88 A CB -0.531 18.511 19.000 0.069 0.000 0.815 88 A HN 0.397 nan 8.150 nan 0.000 0.443 89 F N 1.109 121.062 119.950 0.005 0.000 2.095 89 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 89 F C 2.503 178.328 175.800 0.041 0.000 1.104 89 F CA 1.490 59.496 58.000 0.010 0.000 1.232 89 F CB -0.425 38.558 39.000 -0.028 0.000 0.987 89 F HN 0.248 nan 8.300 nan 0.000 0.475 90 A N 0.583 123.521 122.820 0.196 0.000 1.877 90 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 90 A C 2.322 179.913 177.584 0.011 0.000 1.186 90 A CA 1.664 53.773 52.037 0.121 0.000 0.620 90 A CB -0.775 18.372 19.000 0.246 0.000 0.822 90 A HN 0.457 nan 8.150 nan 0.000 0.443 91 R N -0.969 119.553 120.500 0.037 0.000 2.120 91 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 91 R C 2.459 178.750 176.300 -0.014 0.000 1.123 91 R CA 1.316 57.430 56.100 0.022 0.000 0.975 91 R CB -0.328 29.995 30.300 0.038 0.000 0.866 91 R HN 0.583 nan 8.270 nan 0.000 0.446 92 R N 0.652 121.115 120.500 -0.062 0.000 2.117 92 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 92 R C 1.545 177.812 176.300 -0.055 0.000 1.143 92 R CA 1.447 57.506 56.100 -0.068 0.000 0.968 92 R CB -0.021 30.193 30.300 -0.145 0.000 0.863 92 R HN 0.079 nan 8.270 nan 0.000 0.444 93 L N -0.554 120.586 121.223 -0.139 0.000 2.145 93 L HA 0.020 4.360 4.340 -0.000 0.000 0.201 93 L C 2.355 179.191 176.870 -0.056 0.000 1.075 93 L CA 1.689 56.437 54.840 -0.153 0.000 0.773 93 L CB -0.942 40.984 42.059 -0.222 0.000 0.936 93 L HN 0.074 nan 8.230 nan 0.000 0.451 94 T N -0.075 114.476 114.554 -0.005 0.000 2.915 94 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 94 T C 1.470 176.198 174.700 0.047 0.000 1.071 94 T CA 1.073 63.206 62.100 0.055 0.000 1.132 94 T CB -0.202 68.722 68.868 0.094 0.000 0.878 94 T HN 0.213 nan 8.240 nan 0.000 0.479 95 N N 1.388 120.108 118.700 0.033 0.000 2.398 95 N HA -0.005 4.735 4.740 -0.000 0.000 0.188 95 N C 0.179 175.720 175.510 0.053 0.000 1.122 95 N CA 0.182 53.256 53.050 0.040 0.000 0.866 95 N CB -0.096 38.410 38.487 0.031 0.000 0.970 95 N HN 0.378 nan 8.380 nan 0.000 0.462 96 D N 1.009 121.444 120.400 0.057 0.000 2.349 96 D HA -0.019 4.621 4.640 -0.000 0.000 0.266 96 D C 1.178 177.531 176.300 0.089 0.000 1.293 96 D CA 0.065 54.117 54.000 0.087 0.000 0.926 96 D CB 0.704 41.573 40.800 0.116 0.000 1.090 96 D HN 0.166 nan 8.370 nan 0.000 0.502 97 S N 3.326 119.080 115.700 0.091 0.000 2.400 97 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 97 S C 1.595 176.285 174.600 0.149 0.000 1.025 97 S CA 0.998 59.267 58.200 0.115 0.000 0.993 97 S CB -0.114 63.148 63.200 0.103 0.000 0.808 97 S HN 0.602 nan 8.310 nan 0.000 0.478 98 Q N 0.019 119.890 119.800 0.118 0.000 2.123 98 Q HA 0.133 4.473 4.340 -0.000 0.000 0.199 98 Q C 1.980 178.072 176.000 0.152 0.000 0.966 98 Q CA 1.034 56.910 55.803 0.121 0.000 0.845 98 Q CB -0.256 28.523 28.738 0.068 0.000 0.907 98 Q HN 0.405 nan 8.270 nan 0.000 0.439 99 L N 0.365 121.658 121.223 0.117 0.000 2.156 99 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 99 L C 2.111 179.042 176.870 0.103 0.000 1.095 99 L CA 1.498 56.392 54.840 0.090 0.000 0.770 99 L CB -0.330 41.743 42.059 0.025 0.000 0.914 99 L HN 0.073 nan 8.230 nan 0.000 0.439 100 R N -1.619 118.948 120.500 0.112 0.000 2.096 100 R HA -0.244 4.096 4.340 -0.000 0.000 0.235 100 R C 2.162 178.516 176.300 0.091 0.000 1.127 100 R CA 1.494 57.645 56.100 0.085 0.000 0.968 100 R CB -0.553 29.801 30.300 0.091 0.000 0.861 100 R HN 0.485 nan 8.270 nan 0.000 0.440 101 W N 1.175 122.478 121.300 0.005 0.000 2.350 101 W HA -0.176 4.484 4.660 -0.000 0.000 0.289 101 W C 0.878 177.394 176.519 -0.005 0.000 1.215 101 W CA 1.025 58.370 57.345 0.000 0.000 1.236 101 W CB 0.119 29.582 29.460 0.004 0.000 1.130 101 W HN 0.080 nan 8.180 nan 0.000 0.541 102 L N 0.175 121.493 121.223 0.160 0.000 2.622 102 L HA 0.048 4.388 4.340 -0.000 0.000 0.233 102 L C 1.767 178.625 176.870 -0.020 0.000 1.156 102 L CA 1.540 56.429 54.840 0.080 0.000 0.866 102 L CB -1.880 40.235 42.059 0.094 0.000 0.980 102 L HN -0.013 nan 8.230 nan 0.000 0.448 103 G N 0.109 108.866 108.800 -0.073 0.000 2.665 103 G HA2 0.283 4.243 3.960 -0.000 0.000 0.204 103 G HA3 0.283 4.243 3.960 -0.000 0.000 0.204 103 G C -2.359 172.429 174.900 -0.186 0.000 1.883 103 G CA 0.125 45.159 45.100 -0.111 0.000 0.734 103 G HN 0.133 nan 8.290 nan 0.000 0.811 104 P HA 0.338 nan 4.420 nan 0.000 0.286 104 P C -0.924 176.244 177.300 -0.220 0.000 1.261 104 P CA -0.009 63.004 63.100 -0.145 0.000 0.821 104 P CB 1.559 33.197 31.700 -0.103 0.000 1.013 105 E N 0.248 120.246 120.200 -0.337 0.000 2.297 105 E HA -0.221 4.129 4.350 -0.000 0.000 0.228 105 E C -0.047 176.154 176.600 -0.666 0.000 1.213 105 E CA 0.835 56.681 56.400 -0.925 0.000 0.712 105 E CB -1.479 27.848 29.700 -0.622 0.000 1.202 105 E HN 0.621 nan 8.360 nan 0.000 0.376 106 K N -1.918 118.324 120.400 -0.264 0.000 2.610 106 K HA 0.589 4.909 4.320 -0.000 0.000 0.278 106 K C 0.174 176.777 176.600 0.005 0.000 0.964 106 K CA -0.542 55.703 56.287 -0.070 0.000 0.859 106 K CB 1.493 33.926 32.500 -0.111 0.000 1.434 106 K HN 0.349 nan 8.250 nan 0.000 0.410 107 G N 0.678 109.481 108.800 0.005 0.000 2.645 107 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.239 107 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.239 107 G C 0.614 175.521 174.900 0.011 0.000 1.331 107 G CA -0.127 44.965 45.100 -0.013 0.000 0.890 107 G HN 0.697 nan 8.290 nan 0.000 0.572 108 V N -0.220 119.688 119.914 -0.010 0.000 2.233 108 V HA -0.343 3.777 4.120 -0.000 0.000 0.252 108 V C 2.943 179.047 176.094 0.016 0.000 1.063 108 V CA 3.778 66.074 62.300 -0.007 0.000 1.032 108 V CB -0.800 31.015 31.823 -0.013 0.000 0.645 108 V HN 0.783 nan 8.190 nan 0.000 0.446 109 M N -0.557 119.062 119.600 0.031 0.000 2.108 109 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 109 M C 2.053 178.401 176.300 0.079 0.000 1.066 109 M CA 2.132 57.457 55.300 0.043 0.000 1.107 109 M CB -0.972 31.655 32.600 0.046 0.000 1.356 109 M HN 0.541 nan 8.290 nan 0.000 0.406 110 H N -0.729 118.331 119.070 -0.017 0.000 2.357 110 H HA -0.018 4.538 4.556 -0.000 0.000 0.301 110 H C 1.786 177.116 175.328 0.003 0.000 1.082 110 H CA 2.201 58.245 56.048 -0.007 0.000 1.342 110 H CB -0.115 29.642 29.762 -0.008 0.000 1.389 110 H HN 0.398 nan 8.280 nan 0.000 0.511 111 M N -0.752 118.841 119.600 -0.011 0.000 2.159 111 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 111 M C 2.577 178.849 176.300 -0.047 0.000 1.063 111 M CA 1.295 56.558 55.300 -0.062 0.000 1.110 111 M CB -0.257 32.326 32.600 -0.028 0.000 1.374 111 M HN 0.413 nan 8.290 nan 0.000 0.411 112 A N 0.949 123.757 122.820 -0.021 0.000 1.883 112 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 112 A C 2.059 179.633 177.584 -0.016 0.000 1.186 112 A CA 1.568 53.600 52.037 -0.009 0.000 0.624 112 A CB -0.900 18.097 19.000 -0.005 0.000 0.822 112 A HN 0.438 nan 8.150 nan 0.000 0.444 113 I N -0.310 120.237 120.570 -0.039 0.000 2.163 113 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 113 I C 2.715 178.816 176.117 -0.025 0.000 1.085 113 I CA 1.183 62.458 61.300 -0.041 0.000 1.347 113 I CB -0.631 37.344 38.000 -0.041 0.000 1.044 113 I HN 0.412 nan 8.210 nan 0.000 0.408 114 G N 0.403 109.137 108.800 -0.109 0.000 2.442 114 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 114 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 114 G C 1.842 176.764 174.900 0.037 0.000 1.141 114 G CA 0.894 45.953 45.100 -0.068 0.000 0.763 114 G HN 0.509 nan 8.290 nan 0.000 0.554 115 A N 0.080 122.917 122.820 0.028 0.000 1.902 115 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 115 A C 2.599 180.243 177.584 0.099 0.000 1.181 115 A CA 1.877 53.948 52.037 0.057 0.000 0.623 115 A CB -0.631 18.397 19.000 0.046 0.000 0.818 115 A HN 0.276 nan 8.150 nan 0.000 0.443 116 V N 0.121 120.102 119.914 0.112 0.000 2.427 116 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 116 V C 2.380 178.660 176.094 0.311 0.000 1.051 116 V CA 1.824 64.230 62.300 0.176 0.000 1.048 116 V CB -0.637 31.281 31.823 0.159 0.000 0.666 116 V HN 0.556 nan 8.190 nan 0.000 0.456 117 I N 0.280 121.056 120.570 0.342 0.000 2.252 117 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 117 I C 2.398 178.788 176.117 0.454 0.000 1.102 117 I CA 1.259 62.849 61.300 0.484 0.000 1.385 117 I CB -0.471 37.773 38.000 0.407 0.000 1.064 117 I HN 0.337 nan 8.210 nan 0.000 0.414 118 N N 1.251 120.160 118.700 0.348 0.000 2.104 118 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 118 N C 1.903 177.650 175.510 0.396 0.000 1.024 118 N CA 1.678 54.985 53.050 0.429 0.000 0.853 118 N CB -0.401 38.255 38.487 0.282 0.000 1.008 118 N HN 0.353 nan 8.380 nan 0.000 0.424 119 A N 0.871 123.820 122.820 0.216 0.000 1.940 119 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 119 A C 2.352 179.946 177.584 0.016 0.000 1.176 119 A CA 2.000 54.099 52.037 0.103 0.000 0.631 119 A CB -0.803 18.209 19.000 0.020 0.000 0.814 119 A HN 0.331 nan 8.150 nan 0.000 0.446 120 A N -1.631 121.155 122.820 -0.057 0.000 1.933 120 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 120 A C 1.928 179.350 177.584 -0.271 0.000 1.175 120 A CA 1.347 53.163 52.037 -0.367 0.000 0.628 120 A CB -0.799 17.622 19.000 -0.966 0.000 0.814 120 A HN 0.732 nan 8.150 nan 0.000 0.444 121 W N -0.055 121.151 121.300 -0.157 0.000 2.388 121 W HA -0.046 4.614 4.660 -0.000 0.000 0.294 121 W C 1.949 178.316 176.519 -0.253 0.000 1.212 121 W CA 1.256 58.494 57.345 -0.179 0.000 1.271 121 W CB -0.303 29.086 29.460 -0.118 0.000 1.126 121 W HN 0.512 nan 8.180 nan 0.000 0.535 122 D N 0.002 120.489 120.400 0.144 0.000 2.117 122 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 122 D C 2.163 178.418 176.300 -0.075 0.000 0.987 122 D CA 1.284 55.339 54.000 0.091 0.000 0.829 122 D CB -0.379 40.568 40.800 0.245 0.000 0.961 122 D HN 0.030 nan 8.370 nan 0.000 0.460 123 L N -0.022 121.125 121.223 -0.127 0.000 2.012 123 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 123 L C 2.358 179.057 176.870 -0.285 0.000 1.073 123 L CA 1.612 56.338 54.840 -0.190 0.000 0.748 123 L CB -0.605 41.319 42.059 -0.224 0.000 0.891 123 L HN 0.148 nan 8.230 nan 0.000 0.431 124 A N -0.385 122.182 122.820 -0.421 0.000 1.908 124 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 124 A C 2.417 179.471 177.584 -0.883 0.000 1.181 124 A CA 1.855 53.512 52.037 -0.633 0.000 0.627 124 A CB -0.746 17.776 19.000 -0.797 0.000 0.818 124 A HN 0.554 nan 8.150 nan 0.000 0.445 125 A N -0.349 121.922 122.820 -0.915 0.000 1.898 125 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 125 A C 2.231 179.630 177.584 -0.308 0.000 1.181 125 A CA 1.548 53.163 52.037 -0.704 0.000 0.620 125 A CB -0.448 18.305 19.000 -0.413 0.000 0.819 125 A HN 0.540 nan 8.150 nan 0.000 0.442 126 R N -0.458 119.915 120.500 -0.212 0.000 2.081 126 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 126 R C 2.394 178.632 176.300 -0.103 0.000 1.131 126 R CA 1.258 57.298 56.100 -0.101 0.000 0.960 126 R CB -0.454 29.818 30.300 -0.047 0.000 0.856 126 R HN 0.509 nan 8.270 nan 0.000 0.436 127 A N 0.771 123.501 122.820 -0.151 0.000 2.015 127 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 127 A C 2.102 179.636 177.584 -0.084 0.000 1.163 127 A CA 1.575 53.545 52.037 -0.113 0.000 0.646 127 A CB -0.336 18.581 19.000 -0.137 0.000 0.806 127 A HN 0.385 nan 8.150 nan 0.000 0.448 128 A N -1.138 121.618 122.820 -0.106 0.000 2.275 128 A HA 0.203 4.523 4.320 -0.000 0.000 0.212 128 A C 0.961 178.537 177.584 -0.014 0.000 1.201 128 A CA 0.552 52.578 52.037 -0.018 0.000 0.843 128 A CB -0.520 18.533 19.000 0.089 0.000 0.873 128 A HN 0.615 nan 8.150 nan 0.000 0.492 129 N N -0.357 118.319 118.700 -0.039 0.000 2.738 129 N HA -0.149 4.591 4.740 -0.000 0.000 0.249 129 N C -0.930 174.568 175.510 -0.020 0.000 1.047 129 N CA 1.237 54.274 53.050 -0.022 0.000 0.707 129 N CB -0.864 37.617 38.487 -0.009 0.000 0.937 129 N HN 0.691 nan 8.380 nan 0.000 0.545 130 K N 0.184 120.565 120.400 -0.033 0.000 2.469 130 K HA 0.509 4.829 4.320 -0.000 0.000 0.254 130 K C -2.649 173.920 176.600 -0.052 0.000 0.939 130 K CA -1.587 54.674 56.287 -0.045 0.000 0.812 130 K CB 2.440 34.930 32.500 -0.017 0.000 1.301 130 K HN -0.020 nan 8.250 nan 0.000 0.433 131 P HA -0.004 nan 4.420 nan 0.000 0.275 131 P C 0.616 177.902 177.300 -0.024 0.000 1.228 131 P CA -0.453 62.664 63.100 0.028 0.000 0.786 131 P CB 0.822 32.593 31.700 0.119 0.000 0.927 132 L N 4.677 125.877 121.223 -0.037 0.000 2.034 132 L HA -0.180 4.160 4.340 -0.000 0.000 0.217 132 L C 2.369 179.340 176.870 0.170 0.000 1.077 132 L CA 2.048 56.850 54.840 -0.063 0.000 0.769 132 L CB -1.665 40.046 42.059 -0.580 0.000 0.890 132 L HN 0.582 nan 8.230 nan 0.000 0.435 133 W N -0.231 121.262 121.300 0.322 0.000 2.325 133 W HA -0.248 4.412 4.660 -0.000 0.000 0.299 133 W C 2.123 178.724 176.519 0.136 0.000 1.215 133 W CA 1.350 58.801 57.345 0.177 0.000 1.244 133 W CB -1.307 28.228 29.460 0.125 0.000 1.140 133 W HN 0.175 nan 8.180 nan 0.000 0.523 134 R N -0.271 119.838 120.500 -0.651 0.000 2.090 134 R HA -0.092 4.248 4.340 -0.000 0.000 0.228 134 R C 2.336 178.533 176.300 -0.171 0.000 1.110 134 R CA 1.652 57.392 56.100 -0.601 0.000 0.973 134 R CB -0.902 28.880 30.300 -0.863 0.000 0.869 134 R HN 0.155 nan 8.270 nan 0.000 0.440 135 F N 1.505 121.344 119.950 -0.185 0.000 2.134 135 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 135 F C 1.828 177.639 175.800 0.018 0.000 1.097 135 F CA 1.338 59.294 58.000 -0.072 0.000 1.264 135 F CB -0.093 38.880 39.000 -0.044 0.000 1.001 135 F HN -0.117 nan 8.300 nan 0.000 0.479 136 I N 0.095 120.664 120.570 -0.001 0.000 2.193 136 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 136 I C 2.616 178.697 176.117 -0.059 0.000 1.084 136 I CA 1.179 62.463 61.300 -0.028 0.000 1.365 136 I CB -0.931 37.099 38.000 0.050 0.000 1.064 136 I HN 0.181 nan 8.210 nan 0.000 0.410 137 A N 0.083 122.910 122.820 0.011 0.000 2.121 137 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 137 A C 1.851 179.417 177.584 -0.030 0.000 1.154 137 A CA 1.266 53.322 52.037 0.032 0.000 0.679 137 A CB -0.469 18.621 19.000 0.151 0.000 0.795 137 A HN 0.484 nan 8.150 nan 0.000 0.458 138 E N -0.649 119.494 120.200 -0.096 0.000 2.476 138 E HA 0.266 4.616 4.350 -0.000 0.000 0.196 138 E C -0.459 176.054 176.600 -0.145 0.000 1.029 138 E CA -0.384 55.953 56.400 -0.105 0.000 0.896 138 E CB 0.218 29.856 29.700 -0.104 0.000 1.012 138 E HN 0.522 nan 8.360 nan 0.000 0.475 139 L N 1.649 122.759 121.223 -0.188 0.000 2.418 139 L HA 0.182 4.522 4.340 -0.000 0.000 0.265 139 L C 1.013 177.825 176.870 -0.098 0.000 1.143 139 L CA -0.565 54.159 54.840 -0.193 0.000 0.809 139 L CB 0.834 42.748 42.059 -0.240 0.000 1.124 139 L HN 0.073 nan 8.230 nan 0.000 0.456 140 T N -1.379 113.130 114.554 -0.075 0.000 2.860 140 T HA 0.147 4.497 4.350 -0.000 0.000 0.299 140 T C -1.911 172.775 174.700 -0.023 0.000 1.045 140 T CA -1.468 60.608 62.100 -0.042 0.000 1.071 140 T CB 1.012 69.860 68.868 -0.033 0.000 0.985 140 T HN 0.358 nan 8.240 nan 0.000 0.537 141 P HA -0.104 nan 4.420 nan 0.000 0.216 141 P C 1.286 178.600 177.300 0.023 0.000 1.150 141 P CA 1.088 64.193 63.100 0.008 0.000 0.843 141 P CB 0.066 31.769 31.700 0.004 0.000 0.787 142 E N -0.503 119.704 120.200 0.012 0.000 2.051 142 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 142 E C 2.167 178.785 176.600 0.030 0.000 0.991 142 E CA 1.236 57.648 56.400 0.020 0.000 0.799 142 E CB -0.916 28.788 29.700 0.006 0.000 0.748 142 E HN 0.373 nan 8.360 nan 0.000 0.449 143 Q N -0.275 119.530 119.800 0.008 0.000 2.096 143 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 143 Q C 1.931 177.952 176.000 0.035 0.000 0.982 143 Q CA 0.818 56.622 55.803 0.001 0.000 0.850 143 Q CB -0.132 28.578 28.738 -0.046 0.000 0.901 143 Q HN 0.164 nan 8.270 nan 0.000 0.422 144 L N -0.077 121.172 121.223 0.043 0.000 1.976 144 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 144 L C 2.281 179.227 176.870 0.126 0.000 1.071 144 L CA 1.452 56.343 54.840 0.085 0.000 0.746 144 L CB -1.065 41.029 42.059 0.059 0.000 0.890 144 L HN 0.065 nan 8.230 nan 0.000 0.432 145 V N -0.215 119.783 119.914 0.140 0.000 2.469 145 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 145 V C 2.209 178.457 176.094 0.256 0.000 1.064 145 V CA 1.917 64.362 62.300 0.243 0.000 1.066 145 V CB -0.577 31.379 31.823 0.221 0.000 0.667 145 V HN 0.492 nan 8.190 nan 0.000 0.461 146 D N -0.205 120.292 120.400 0.161 0.000 2.264 146 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 146 D C 2.180 178.561 176.300 0.136 0.000 0.966 146 D CA 1.514 55.597 54.000 0.139 0.000 0.864 146 D CB 0.025 40.874 40.800 0.081 0.000 0.933 146 D HN 0.612 nan 8.370 nan 0.000 0.499 147 T N -1.831 112.810 114.554 0.146 0.000 3.014 147 T HA -0.015 4.335 4.350 -0.000 0.000 0.263 147 T C 1.244 176.022 174.700 0.129 0.000 1.078 147 T CA -0.240 61.966 62.100 0.176 0.000 1.135 147 T CB -0.244 68.815 68.868 0.319 0.000 0.895 147 T HN 0.219 nan 8.240 nan 0.000 0.480 148 I N 1.681 122.273 120.570 0.037 0.000 2.581 148 I HA 0.314 4.484 4.170 -0.000 0.000 0.288 148 I C -0.798 175.171 176.117 -0.248 0.000 1.047 148 I CA -0.560 60.634 61.300 -0.176 0.000 1.374 148 I CB 0.993 38.728 38.000 -0.442 0.000 1.423 148 I HN -0.043 nan 8.210 nan 0.000 0.549 149 D N 6.200 126.452 120.400 -0.246 0.000 2.396 149 D HA 0.163 4.803 4.640 -0.000 0.000 0.225 149 D C 0.182 176.330 176.300 -0.253 0.000 1.121 149 D CA -0.081 53.834 54.000 -0.142 0.000 0.853 149 D CB 0.432 41.206 40.800 -0.044 0.000 1.043 149 D HN 0.442 nan 8.370 nan 0.000 0.500 150 F N 1.778 121.735 119.950 0.012 0.000 2.780 150 F HA 0.111 4.638 4.527 -0.000 0.000 0.299 150 F C 1.714 177.499 175.800 -0.024 0.000 1.146 150 F CA -0.213 57.793 58.000 0.011 0.000 1.428 150 F CB -0.022 38.986 39.000 0.013 0.000 1.115 150 F HN 0.175 nan 8.300 nan 0.000 0.583 151 R N 0.462 120.969 120.500 0.013 0.000 2.585 151 R HA -0.150 4.190 4.340 -0.000 0.000 0.275 151 R C -0.246 175.959 176.300 -0.158 0.000 1.018 151 R CA 0.368 56.341 56.100 -0.211 0.000 1.072 151 R CB -0.101 29.921 30.300 -0.464 0.000 0.953 151 R HN 0.336 nan 8.270 nan 0.000 0.419 152 Y N 1.310 121.655 120.300 0.075 0.000 4.798 152 Y HA -0.261 4.289 4.550 -0.000 0.000 0.237 152 Y C 0.491 176.437 175.900 0.076 0.000 1.017 152 Y CA 0.779 58.914 58.100 0.059 0.000 2.010 152 Y CB -1.925 36.555 38.460 0.033 0.000 1.582 152 Y HN 0.656 nan 8.280 nan 0.000 0.621 153 L N -1.129 120.225 121.223 0.218 0.000 2.920 153 L HA 0.106 4.446 4.340 -0.000 0.000 0.257 153 L C 2.042 179.034 176.870 0.204 0.000 1.150 153 L CA 0.757 55.722 54.840 0.209 0.000 0.959 153 L CB 0.078 42.262 42.059 0.208 0.000 1.321 153 L HN 0.239 nan 8.230 nan 0.000 0.555 154 S N 0.277 116.083 115.700 0.176 0.000 2.441 154 S HA -0.227 4.243 4.470 -0.000 0.000 0.242 154 S C 1.398 176.062 174.600 0.108 0.000 1.018 154 S CA 1.656 59.932 58.200 0.126 0.000 0.988 154 S CB -0.475 62.776 63.200 0.084 0.000 0.778 154 S HN 0.617 nan 8.310 nan 0.000 0.498 155 D N 0.855 121.328 120.400 0.122 0.000 2.349 155 D HA 0.304 4.944 4.640 -0.000 0.000 0.224 155 D C 1.302 177.684 176.300 0.138 0.000 1.029 155 D CA 0.772 54.838 54.000 0.110 0.000 0.879 155 D CB 0.041 40.903 40.800 0.105 0.000 0.906 155 D HN 0.628 nan 8.370 nan 0.000 0.528 156 A N -0.377 122.549 122.820 0.176 0.000 2.010 156 A HA 0.382 4.702 4.320 -0.000 0.000 0.193 156 A C 0.215 177.933 177.584 0.222 0.000 1.659 156 A CA -0.151 52.035 52.037 0.248 0.000 1.175 156 A CB 0.673 19.884 19.000 0.351 0.000 1.301 156 A HN 0.144 nan 8.150 nan 0.000 0.448 157 L N 1.544 122.894 121.223 0.212 0.000 2.620 157 L HA 0.490 4.830 4.340 -0.000 0.000 0.261 157 L C -0.184 176.827 176.870 0.235 0.000 0.978 157 L CA 0.179 55.151 54.840 0.220 0.000 0.897 157 L CB 1.487 43.711 42.059 0.275 0.000 1.207 157 L HN 0.300 nan 8.230 nan 0.000 0.425 158 T N 0.353 114.956 114.554 0.081 0.000 2.874 158 T HA 0.376 4.726 4.350 -0.000 0.000 0.281 158 T C 1.251 175.751 174.700 -0.334 0.000 0.994 158 T CA 0.041 62.084 62.100 -0.095 0.000 1.015 158 T CB 1.229 70.040 68.868 -0.096 0.000 1.028 158 T HN 0.766 nan 8.240 nan 0.000 0.523 159 R N 0.760 120.737 120.500 -0.873 0.000 2.120 159 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 159 R C 1.321 177.416 176.300 -0.341 0.000 1.123 159 R CA 1.774 57.245 56.100 -1.048 0.000 0.975 159 R CB -0.724 28.934 30.300 -1.071 0.000 0.866 159 R HN 0.657 nan 8.270 nan 0.000 0.446 160 D N 1.027 121.285 120.400 -0.237 0.000 2.117 160 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 160 D C 1.645 177.905 176.300 -0.067 0.000 0.982 160 D CA 1.537 55.466 54.000 -0.119 0.000 0.828 160 D CB -0.091 40.652 40.800 -0.096 0.000 0.967 160 D HN 0.535 nan 8.370 nan 0.000 0.464 161 E N 0.998 121.166 120.200 -0.053 0.000 2.106 161 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 161 E C 2.156 178.770 176.600 0.023 0.000 0.984 161 E CA 0.796 57.189 56.400 -0.011 0.000 0.806 161 E CB -0.009 29.693 29.700 0.004 0.000 0.750 161 E HN 0.154 nan 8.360 nan 0.000 0.458 162 A N 1.500 124.356 122.820 0.059 0.000 1.865 162 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 162 A C 2.227 179.854 177.584 0.072 0.000 1.191 162 A CA 1.165 53.278 52.037 0.126 0.000 0.623 162 A CB -0.806 18.375 19.000 0.301 0.000 0.826 162 A HN 0.142 nan 8.150 nan 0.000 0.444 163 L N -0.758 120.487 121.223 0.036 0.000 2.013 163 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 163 L C 3.139 180.013 176.870 0.006 0.000 1.073 163 L CA 1.264 56.114 54.840 0.017 0.000 0.753 163 L CB -0.556 41.497 42.059 -0.010 0.000 0.890 163 L HN 0.477 nan 8.230 nan 0.000 0.432 164 A N 0.181 122.999 122.820 -0.003 0.000 1.883 164 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 164 A C 2.184 179.766 177.584 -0.005 0.000 1.186 164 A CA 1.812 53.844 52.037 -0.008 0.000 0.624 164 A CB -0.729 18.262 19.000 -0.014 0.000 0.822 164 A HN 0.395 nan 8.150 nan 0.000 0.444 165 I N -0.457 120.115 120.570 0.005 0.000 2.179 165 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 165 I C 2.335 178.451 176.117 -0.000 0.000 1.088 165 I CA 1.191 62.493 61.300 0.003 0.000 1.357 165 I CB -0.363 37.647 38.000 0.017 0.000 1.051 165 I HN 0.288 nan 8.210 nan 0.000 0.409 166 L N 0.075 121.304 121.223 0.010 0.000 2.141 166 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 166 L C 2.673 179.539 176.870 -0.007 0.000 1.094 166 L CA 1.231 56.073 54.840 0.005 0.000 0.763 166 L CB -0.491 41.579 42.059 0.019 0.000 0.908 166 L HN 0.167 nan 8.230 nan 0.000 0.437 167 R N -0.283 120.213 120.500 -0.007 0.000 2.119 167 R HA -0.096 4.244 4.340 -0.000 0.000 0.222 167 R C 1.599 177.888 176.300 -0.018 0.000 1.088 167 R CA 0.996 57.089 56.100 -0.012 0.000 0.984 167 R CB -0.141 30.152 30.300 -0.012 0.000 0.884 167 R HN 0.240 nan 8.270 nan 0.000 0.447 168 D N 0.120 120.509 120.400 -0.019 0.000 2.312 168 D HA -0.040 4.600 4.640 -0.000 0.000 0.211 168 D C 1.248 177.528 176.300 -0.033 0.000 0.964 168 D CA 0.879 54.865 54.000 -0.024 0.000 0.877 168 D CB 0.226 41.012 40.800 -0.024 0.000 0.924 168 D HN 0.262 nan 8.370 nan 0.000 0.515 169 A N -0.151 122.648 122.820 -0.035 0.000 2.140 169 A HA 0.011 4.331 4.320 -0.000 0.000 0.209 169 A C 1.954 179.510 177.584 -0.046 0.000 1.181 169 A CA 0.201 52.207 52.037 -0.051 0.000 0.824 169 A CB -0.170 18.796 19.000 -0.058 0.000 0.879 169 A HN 0.095 nan 8.150 nan 0.000 0.480 170 Q N 0.445 120.226 119.800 -0.032 0.000 2.096 170 Q HA -0.176 4.164 4.340 -0.000 0.000 0.208 170 Q C -0.863 175.121 176.000 -0.026 0.000 0.993 170 Q CA 2.437 58.225 55.803 -0.026 0.000 0.862 170 Q CB -0.819 27.907 28.738 -0.021 0.000 0.915 170 Q HN 0.458 nan 8.270 nan 0.000 0.416 171 P HA -0.141 nan 4.420 nan 0.000 0.218 171 P C 0.316 177.601 177.300 -0.026 0.000 1.148 171 P CA 1.332 64.419 63.100 -0.023 0.000 0.822 171 P CB 0.079 31.765 31.700 -0.023 0.000 0.784 172 Q N -2.050 117.726 119.800 -0.040 0.000 2.280 172 Q HA 0.163 4.503 4.340 -0.000 0.000 0.201 172 Q C 1.777 177.746 176.000 -0.053 0.000 0.890 172 Q CA 0.147 55.920 55.803 -0.050 0.000 0.947 172 Q CB -0.198 28.494 28.738 -0.076 0.000 1.081 172 Q HN 0.119 nan 8.270 nan 0.000 0.502 173 R N 0.461 120.939 120.500 -0.036 0.000 2.073 173 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 173 R C 2.049 178.364 176.300 0.025 0.000 1.134 173 R CA 1.531 57.623 56.100 -0.013 0.000 0.952 173 R CB -0.404 29.894 30.300 -0.004 0.000 0.850 173 R HN 0.326 nan 8.270 nan 0.000 0.433 174 A N 0.862 123.694 122.820 0.020 0.000 1.873 174 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 174 A C 2.345 179.960 177.584 0.052 0.000 1.193 174 A CA 2.020 54.079 52.037 0.036 0.000 0.629 174 A CB -0.997 18.015 19.000 0.021 0.000 0.826 174 A HN 0.447 nan 8.150 nan 0.000 0.447 175 A N -0.641 122.198 122.820 0.032 0.000 1.902 175 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 175 A C 2.245 179.871 177.584 0.070 0.000 1.181 175 A CA 1.468 53.529 52.037 0.040 0.000 0.623 175 A CB -0.457 18.553 19.000 0.016 0.000 0.818 175 A HN 0.540 nan 8.150 nan 0.000 0.443 176 R N -0.953 119.575 120.500 0.046 0.000 2.148 176 R HA -0.060 4.280 4.340 -0.000 0.000 0.227 176 R C 2.111 178.573 176.300 0.270 0.000 1.103 176 R CA 1.525 57.685 56.100 0.101 0.000 0.983 176 R CB -0.555 29.610 30.300 -0.225 0.000 0.874 176 R HN 0.533 nan 8.270 nan 0.000 0.451 177 T N 1.014 115.702 114.554 0.224 0.000 2.674 177 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 177 T C 1.976 176.831 174.700 0.259 0.000 1.039 177 T CA 1.489 63.784 62.100 0.325 0.000 1.150 177 T CB -0.222 68.811 68.868 0.275 0.000 0.864 177 T HN 0.354 nan 8.240 nan 0.000 0.427 178 A N 1.320 124.244 122.820 0.174 0.000 1.908 178 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 178 A C 2.556 180.204 177.584 0.108 0.000 1.181 178 A CA 2.227 54.340 52.037 0.127 0.000 0.627 178 A CB -1.335 17.718 19.000 0.087 0.000 0.818 178 A HN 0.486 nan 8.150 nan 0.000 0.445 179 T N 0.261 114.890 114.554 0.124 0.000 2.746 179 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 179 T C 1.829 176.549 174.700 0.032 0.000 1.039 179 T CA 1.261 63.418 62.100 0.095 0.000 1.142 179 T CB -0.297 68.671 68.868 0.166 0.000 0.866 179 T HN 0.331 nan 8.240 nan 0.000 0.444 180 L N 0.741 122.002 121.223 0.063 0.000 2.093 180 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 180 L C 2.165 178.974 176.870 -0.101 0.000 1.085 180 L CA 1.695 56.465 54.840 -0.116 0.000 0.755 180 L CB -0.608 41.376 42.059 -0.126 0.000 0.904 180 L HN 0.323 nan 8.230 nan 0.000 0.435 181 I N -0.209 120.376 120.570 0.026 0.000 2.676 181 I HA -0.248 3.922 4.170 -0.000 0.000 0.259 181 I C 2.453 178.583 176.117 0.022 0.000 1.194 181 I CA 0.929 62.268 61.300 0.064 0.000 1.473 181 I CB -0.028 38.072 38.000 0.167 0.000 1.096 181 I HN 0.392 nan 8.210 nan 0.000 0.443 182 E N 0.682 120.887 120.200 0.008 0.000 2.140 182 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 182 E C 1.806 178.383 176.600 -0.039 0.000 0.973 182 E CA 0.705 57.101 56.400 -0.007 0.000 0.829 182 E CB 0.281 29.983 29.700 0.004 0.000 0.781 182 E HN 0.538 nan 8.360 nan 0.000 0.466 183 Q N -0.533 119.225 119.800 -0.069 0.000 2.316 183 Q HA 0.260 4.600 4.340 -0.000 0.000 0.235 183 Q C 0.539 176.466 176.000 -0.122 0.000 0.863 183 Q CA 0.203 55.949 55.803 -0.095 0.000 0.939 183 Q CB 1.835 30.508 28.738 -0.108 0.000 1.108 183 Q HN 0.291 nan 8.270 nan 0.000 0.522 184 G N 1.159 109.874 108.800 -0.142 0.000 2.725 184 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 184 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 184 G C -1.496 173.307 174.900 -0.162 0.000 1.357 184 G CA -0.554 44.466 45.100 -0.133 0.000 0.866 184 G HN 0.174 nan 8.290 nan 0.000 0.548 185 Y N 1.019 121.180 120.300 -0.231 0.000 2.376 185 Y HA 0.618 5.168 4.550 -0.000 0.000 0.340 185 Y C -2.122 173.706 175.900 -0.120 0.000 0.965 185 Y CA -2.193 55.753 58.100 -0.256 0.000 1.078 185 Y CB 2.181 40.456 38.460 -0.307 0.000 1.193 185 Y HN 0.503 nan 8.280 nan 0.000 0.452 186 P HA 0.183 nan 4.420 nan 0.000 0.265 186 P C -1.355 176.125 177.300 0.300 0.000 1.187 186 P CA 0.505 63.662 63.100 0.094 0.000 0.766 186 P CB 0.593 32.280 31.700 -0.021 0.000 0.820 187 A N 3.317 126.292 122.820 0.258 0.000 2.413 187 A HA 0.777 5.097 4.320 -0.000 0.000 0.307 187 A C -1.503 176.416 177.584 0.558 0.000 1.087 187 A CA -0.541 51.739 52.037 0.406 0.000 0.750 187 A CB 1.071 20.243 19.000 0.286 0.000 1.296 187 A HN 0.596 nan 8.150 nan 0.000 0.423 188 Y N -0.855 119.736 120.300 0.484 0.000 2.512 188 Y HA 0.800 5.350 4.550 -0.000 0.000 0.348 188 Y C -0.263 175.747 175.900 0.184 0.000 0.990 188 Y CA -0.688 57.647 58.100 0.392 0.000 1.033 188 Y CB 1.620 40.301 38.460 0.368 0.000 1.259 188 Y HN 0.613 nan 8.280 nan 0.000 0.461 189 T N 1.546 116.055 114.554 -0.075 0.000 2.855 189 T HA 0.427 4.777 4.350 -0.000 0.000 0.281 189 T C 0.158 174.724 174.700 -0.223 0.000 1.007 189 T CA -0.226 61.643 62.100 -0.384 0.000 1.009 189 T CB 1.347 69.640 68.868 -0.959 0.000 0.983 189 T HN 0.928 nan 8.240 nan 0.000 0.455 190 T N 2.309 116.667 114.554 -0.326 0.000 2.969 190 T HA 0.094 4.444 4.350 -0.000 0.000 0.250 190 T C 2.223 176.515 174.700 -0.680 0.000 1.021 190 T CA 0.103 61.927 62.100 -0.460 0.000 1.003 190 T CB 0.042 68.582 68.868 -0.546 0.000 1.040 190 T HN 0.559 nan 8.240 nan 0.000 0.492 191 S N 2.596 118.044 115.700 -0.420 0.000 2.413 191 S HA -0.101 4.369 4.470 -0.000 0.000 0.237 191 S C -0.787 173.792 174.600 -0.036 0.000 1.044 191 S CA 1.429 59.563 58.200 -0.110 0.000 1.024 191 S CB -1.000 62.180 63.200 -0.032 0.000 0.829 191 S HN 0.451 nan 8.310 nan 0.000 0.475 192 P HA 0.093 nan 4.420 nan 0.000 0.229 192 P C 0.970 178.233 177.300 -0.061 0.000 1.160 192 P CA 0.829 63.924 63.100 -0.008 0.000 0.777 192 P CB -0.084 31.579 31.700 -0.063 0.000 0.814 193 G N -2.142 106.471 108.800 -0.311 0.000 3.651 193 G HA2 0.080 4.040 3.960 -0.000 0.000 0.279 193 G HA3 0.080 4.040 3.960 -0.000 0.000 0.279 193 G C -0.415 174.226 174.900 -0.432 0.000 1.024 193 G CA -0.383 44.523 45.100 -0.324 0.000 0.813 193 G HN 0.106 nan 8.290 nan 0.000 0.518 194 W N 0.351 121.347 121.300 -0.506 0.000 2.187 194 W HA 0.352 5.012 4.660 -0.000 0.000 0.348 194 W C 0.832 177.012 176.519 -0.565 0.000 1.282 194 W CA -0.678 56.330 57.345 -0.562 0.000 1.271 194 W CB 0.689 29.725 29.460 -0.705 0.000 1.170 194 W HN -0.150 nan 8.180 nan 0.000 0.583 195 L N 2.709 123.931 121.223 -0.002 0.000 2.380 195 L HA 0.326 4.666 4.340 -0.000 0.000 0.273 195 L C 1.229 178.116 176.870 0.029 0.000 1.138 195 L CA 0.945 55.785 54.840 -0.001 0.000 0.832 195 L CB 0.456 42.545 42.059 0.049 0.000 1.124 195 L HN 0.952 nan 8.230 nan 0.000 0.454 196 G N 1.902 110.757 108.800 0.091 0.000 2.284 196 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.201 196 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.201 196 G C -0.161 174.930 174.900 0.318 0.000 0.998 196 G CA -0.692 44.512 45.100 0.174 0.000 0.651 196 G HN 0.374 nan 8.290 nan 0.000 0.489 197 Y N 2.239 122.585 120.300 0.075 0.000 2.425 197 Y HA 0.621 5.171 4.550 -0.000 0.000 0.331 197 Y C 1.242 177.166 175.900 0.040 0.000 1.157 197 Y CA -0.777 57.360 58.100 0.061 0.000 1.372 197 Y CB 1.034 39.541 38.460 0.078 0.000 1.253 197 Y HN 0.188 nan 8.280 nan 0.000 0.536 198 S N 1.846 117.638 115.700 0.154 0.000 2.566 198 S HA -0.057 4.413 4.470 -0.000 0.000 0.280 198 S C 1.059 175.708 174.600 0.081 0.000 1.343 198 S CA -0.563 57.688 58.200 0.085 0.000 1.036 198 S CB 0.428 63.650 63.200 0.037 0.000 0.866 198 S HN 0.639 nan 8.310 nan 0.000 0.526 199 D N 2.686 123.119 120.400 0.054 0.000 2.157 199 D HA -0.139 4.501 4.640 -0.000 0.000 0.191 199 D C 1.406 177.727 176.300 0.035 0.000 1.004 199 D CA 1.913 55.936 54.000 0.039 0.000 0.854 199 D CB -0.128 40.687 40.800 0.024 0.000 0.936 199 D HN 0.704 nan 8.370 nan 0.000 0.446 200 E N -0.612 119.605 120.200 0.030 0.000 2.474 200 E HA 0.045 4.395 4.350 -0.000 0.000 0.195 200 E C 1.418 178.033 176.600 0.024 0.000 1.039 200 E CA -0.036 56.378 56.400 0.024 0.000 0.881 200 E CB 0.332 30.042 29.700 0.016 0.000 0.970 200 E HN -0.012 nan 8.360 nan 0.000 0.486 201 K N 0.709 121.129 120.400 0.032 0.000 2.296 201 K HA -0.029 4.291 4.320 -0.000 0.000 0.200 201 K C 1.472 178.105 176.600 0.055 0.000 1.048 201 K CA 0.628 56.920 56.287 0.009 0.000 0.966 201 K CB 0.250 32.737 32.500 -0.022 0.000 0.754 201 K HN 0.263 nan 8.250 nan 0.000 0.466 202 L N -1.335 119.948 121.223 0.100 0.000 2.408 202 L HA 0.077 4.417 4.340 -0.000 0.000 0.215 202 L C 1.939 178.845 176.870 0.058 0.000 1.081 202 L CA 0.683 55.596 54.840 0.121 0.000 0.840 202 L CB -1.259 40.873 42.059 0.123 0.000 1.002 202 L HN -0.153 nan 8.230 nan 0.000 0.468 203 V N -1.090 118.847 119.914 0.039 0.000 2.407 203 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 203 V C 2.731 178.841 176.094 0.027 0.000 1.055 203 V CA 2.133 64.448 62.300 0.025 0.000 1.049 203 V CB -1.056 30.779 31.823 0.021 0.000 0.662 203 V HN 0.652 nan 8.190 nan 0.000 0.455 204 R N -0.335 120.182 120.500 0.028 0.000 2.052 204 R HA 0.028 4.368 4.340 -0.000 0.000 0.226 204 R C 2.264 178.584 176.300 0.034 0.000 1.145 204 R CA 1.529 57.645 56.100 0.026 0.000 0.952 204 R CB -0.401 29.910 30.300 0.018 0.000 0.847 204 R HN 0.455 nan 8.270 nan 0.000 0.431 205 L N 1.162 122.410 121.223 0.041 0.000 2.189 205 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 205 L C 2.353 179.246 176.870 0.038 0.000 1.097 205 L CA 2.002 56.873 54.840 0.052 0.000 0.764 205 L CB -0.694 41.418 42.059 0.089 0.000 0.900 205 L HN 0.373 nan 8.230 nan 0.000 0.436 206 A N -0.844 121.995 122.820 0.031 0.000 1.843 206 A HA -0.144 4.176 4.320 -0.000 0.000 0.213 206 A C 2.308 179.910 177.584 0.030 0.000 1.202 206 A CA 1.162 53.208 52.037 0.015 0.000 0.607 206 A CB -0.373 18.631 19.000 0.007 0.000 0.847 206 A HN 0.279 nan 8.150 nan 0.000 0.445 207 K N -0.080 120.339 120.400 0.032 0.000 2.218 207 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 207 K C 2.018 178.646 176.600 0.047 0.000 1.046 207 K CA 1.646 57.955 56.287 0.037 0.000 0.933 207 K CB -0.077 32.442 32.500 0.032 0.000 0.728 207 K HN 0.722 nan 8.250 nan 0.000 0.454 208 E N 0.476 120.706 120.200 0.050 0.000 2.028 208 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 208 E C 2.008 178.663 176.600 0.092 0.000 0.984 208 E CA 0.967 57.405 56.400 0.063 0.000 0.800 208 E CB -0.081 29.655 29.700 0.059 0.000 0.758 208 E HN 0.302 nan 8.360 nan 0.000 0.448 209 A N 0.699 123.575 122.820 0.093 0.000 1.948 209 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 209 A C 2.394 180.109 177.584 0.218 0.000 1.177 209 A CA 1.803 53.938 52.037 0.163 0.000 0.636 209 A CB -0.821 18.186 19.000 0.012 0.000 0.815 209 A HN 0.254 nan 8.150 nan 0.000 0.449 210 V N -0.373 119.611 119.914 0.117 0.000 2.358 210 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 210 V C 3.025 179.147 176.094 0.046 0.000 1.047 210 V CA 1.840 64.189 62.300 0.081 0.000 1.035 210 V CB -1.298 30.560 31.823 0.059 0.000 0.658 210 V HN 0.625 nan 8.190 nan 0.000 0.452 211 A N 0.162 123.018 122.820 0.060 0.000 1.978 211 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 211 A C 1.723 179.339 177.584 0.053 0.000 1.170 211 A CA 2.147 54.221 52.037 0.062 0.000 0.636 211 A CB -0.614 18.424 19.000 0.064 0.000 0.810 211 A HN 0.581 nan 8.150 nan 0.000 0.448 212 D N -1.802 118.617 120.400 0.032 0.000 2.328 212 D HA 0.352 4.992 4.640 -0.000 0.000 0.226 212 D C 1.264 177.278 176.300 -0.478 0.000 1.066 212 D CA 1.137 55.108 54.000 -0.047 0.000 0.861 212 D CB 0.200 41.055 40.800 0.092 0.000 0.912 212 D HN 0.558 nan 8.370 nan 0.000 0.521 213 G N -0.097 108.347 108.800 -0.593 0.000 2.194 213 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.236 213 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.236 213 G C 0.154 174.744 174.900 -0.516 0.000 0.987 213 G CA -0.675 43.822 45.100 -1.005 0.000 0.635 213 G HN 0.277 nan 8.290 nan 0.000 0.520 214 F N 1.636 121.462 119.950 -0.207 0.000 2.541 214 F HA 0.427 4.954 4.527 -0.000 0.000 0.378 214 F C 1.811 177.594 175.800 -0.028 0.000 1.068 214 F CA -0.218 57.736 58.000 -0.077 0.000 1.199 214 F CB 0.744 39.734 39.000 -0.017 0.000 1.091 214 F HN -0.119 nan 8.300 nan 0.000 0.555 215 R N 1.280 121.879 120.500 0.165 0.000 2.317 215 R HA 0.180 4.520 4.340 -0.000 0.000 0.208 215 R C -0.244 176.154 176.300 0.165 0.000 0.914 215 R CA 0.234 56.410 56.100 0.127 0.000 1.060 215 R CB 0.042 30.394 30.300 0.087 0.000 1.015 215 R HN 0.519 nan 8.270 nan 0.000 0.498 216 T N 0.504 115.200 114.554 0.236 0.000 2.956 216 T HA 0.521 4.871 4.350 -0.000 0.000 0.312 216 T C -0.908 173.904 174.700 0.186 0.000 1.151 216 T CA -0.414 61.802 62.100 0.193 0.000 1.024 216 T CB 2.354 71.386 68.868 0.272 0.000 1.140 216 T HN -0.014 nan 8.240 nan 0.000 0.473 217 I N 1.718 122.308 120.570 0.032 0.000 2.969 217 I HA 0.713 4.883 4.170 -0.000 0.000 0.307 217 I C -1.474 174.556 176.117 -0.146 0.000 1.149 217 I CA -0.986 60.304 61.300 -0.017 0.000 1.008 217 I CB 2.266 40.235 38.000 -0.051 0.000 1.232 217 I HN 0.484 nan 8.210 nan 0.000 0.435 218 K N 5.452 125.765 120.400 -0.146 0.000 2.397 218 K HA 0.606 4.926 4.320 -0.000 0.000 0.253 218 K C -1.981 174.455 176.600 -0.274 0.000 0.932 218 K CA -0.560 55.568 56.287 -0.265 0.000 0.795 218 K CB 1.527 33.908 32.500 -0.198 0.000 1.159 218 K HN 0.370 nan 8.250 nan 0.000 0.424 219 L N 3.508 124.569 121.223 -0.270 0.000 2.325 219 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 219 L C -0.191 176.548 176.870 -0.220 0.000 1.023 219 L CA -0.560 54.141 54.840 -0.233 0.000 0.811 219 L CB 1.373 43.326 42.059 -0.176 0.000 1.249 219 L HN 0.516 nan 8.230 nan 0.000 0.431 220 K N 2.377 122.654 120.400 -0.206 0.000 2.174 220 K HA 0.716 5.036 4.320 -0.000 0.000 0.275 220 K C -0.304 176.244 176.600 -0.086 0.000 1.015 220 K CA -0.236 55.961 56.287 -0.150 0.000 0.933 220 K CB 1.791 34.229 32.500 -0.103 0.000 1.025 220 K HN 0.510 nan 8.250 nan 0.000 0.463 221 V N -2.740 117.122 119.914 -0.087 0.000 3.112 221 V HA 0.846 4.966 4.120 -0.000 0.000 0.310 221 V C 0.554 176.591 176.094 -0.095 0.000 1.364 221 V CA -0.052 62.249 62.300 0.002 0.000 1.058 221 V CB 1.369 33.246 31.823 0.091 0.000 1.079 221 V HN 0.796 nan 8.190 nan 0.000 0.463 222 G N -1.041 107.769 108.800 0.018 0.000 2.231 222 G HA2 0.017 3.977 3.960 -0.000 0.000 0.206 222 G HA3 0.017 3.977 3.960 -0.000 0.000 0.206 222 G C 0.773 175.710 174.900 0.061 0.000 0.996 222 G CA 0.998 45.949 45.100 -0.248 0.000 0.645 222 G HN 1.983 nan 8.290 nan 0.000 0.498 223 A N -0.513 122.465 122.820 0.263 0.000 1.973 223 A HA 0.529 4.848 4.320 -0.000 0.000 0.210 223 A C 0.890 178.746 177.584 0.453 0.000 1.200 223 A CA 1.535 53.750 52.037 0.296 0.000 0.707 223 A CB 0.170 19.267 19.000 0.161 0.000 0.862 223 A HN 0.689 nan 8.150 nan 0.000 0.461 224 N N -0.353 118.642 118.700 0.492 0.000 2.478 224 N HA 0.236 4.976 4.740 -0.000 0.000 0.291 224 N C 0.453 176.059 175.510 0.161 0.000 1.090 224 N CA -0.144 53.068 53.050 0.270 0.000 0.911 224 N CB 2.092 40.659 38.487 0.133 0.000 1.546 224 N HN -0.137 nan 8.380 nan 0.000 0.500 225 V N 3.056 122.750 119.914 -0.366 0.000 2.252 225 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 225 V C 2.272 178.226 176.094 -0.235 0.000 1.056 225 V CA 1.710 63.614 62.300 -0.659 0.000 1.022 225 V CB -0.301 30.903 31.823 -1.032 0.000 0.641 225 V HN 0.667 nan 8.190 nan 0.000 0.445 226 Q N -0.286 119.412 119.800 -0.169 0.000 2.096 226 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 226 Q C 2.031 178.012 176.000 -0.032 0.000 0.982 226 Q CA 1.877 57.628 55.803 -0.085 0.000 0.850 226 Q CB -0.821 27.878 28.738 -0.065 0.000 0.901 226 Q HN 0.643 nan 8.270 nan 0.000 0.422 227 D N 0.897 121.300 120.400 0.005 0.000 2.104 227 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 227 D C 1.471 177.789 176.300 0.030 0.000 0.994 227 D CA 1.193 55.212 54.000 0.032 0.000 0.830 227 D CB -0.237 40.606 40.800 0.072 0.000 0.959 227 D HN 0.221 nan 8.370 nan 0.000 0.452 228 D N 0.244 120.698 120.400 0.091 0.000 2.123 228 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 228 D C 2.148 178.423 176.300 -0.043 0.000 0.992 228 D CA 0.320 54.385 54.000 0.108 0.000 0.833 228 D CB -0.311 40.711 40.800 0.370 0.000 0.954 228 D HN 0.256 nan 8.370 nan 0.000 0.455 229 I N 0.159 120.697 120.570 -0.052 0.000 2.546 229 I HA -0.164 4.006 4.170 -0.000 0.000 0.255 229 I C 2.313 178.295 176.117 -0.224 0.000 1.163 229 I CA 0.697 61.918 61.300 -0.132 0.000 1.457 229 I CB 0.171 38.199 38.000 0.046 0.000 1.092 229 I HN -0.125 nan 8.210 nan 0.000 0.434 230 R N 1.015 121.446 120.500 -0.115 0.000 2.055 230 R HA -0.120 4.220 4.340 -0.000 0.000 0.226 230 R C 2.368 178.587 176.300 -0.136 0.000 1.135 230 R CA 1.235 57.281 56.100 -0.089 0.000 0.959 230 R CB -0.314 29.966 30.300 -0.034 0.000 0.854 230 R HN 0.279 nan 8.270 nan 0.000 0.431 231 R N -0.375 120.056 120.500 -0.116 0.000 2.105 231 R HA -0.121 4.219 4.340 -0.000 0.000 0.239 231 R C 2.415 178.595 176.300 -0.200 0.000 1.135 231 R CA 1.740 57.774 56.100 -0.109 0.000 0.967 231 R CB -0.329 29.935 30.300 -0.061 0.000 0.861 231 R HN 0.316 nan 8.270 nan 0.000 0.442 232 C N -0.755 118.329 119.300 -0.361 0.000 2.464 232 C HA 0.046 4.506 4.460 -0.000 0.000 0.278 232 C C 2.526 177.086 174.990 -0.716 0.000 1.375 232 C CA 0.131 58.815 59.018 -0.556 0.000 1.761 232 C CB -0.696 26.573 27.740 -0.785 0.000 1.944 232 C HN 0.432 nan 8.230 nan 0.000 0.509 233 R N 0.838 120.918 120.500 -0.701 0.000 2.061 233 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 233 R C 2.037 178.311 176.300 -0.044 0.000 1.140 233 R CA 1.400 57.362 56.100 -0.231 0.000 0.940 233 R CB -0.376 29.919 30.300 -0.008 0.000 0.839 233 R HN 0.427 nan 8.270 nan 0.000 0.429 234 L N 0.141 121.324 121.223 -0.066 0.000 2.265 234 L HA -0.121 4.219 4.340 -0.000 0.000 0.215 234 L C 2.432 179.290 176.870 -0.021 0.000 1.117 234 L CA 1.074 55.902 54.840 -0.021 0.000 0.782 234 L CB -0.491 41.557 42.059 -0.019 0.000 0.914 234 L HN 0.366 nan 8.230 nan 0.000 0.441 235 A N 0.365 123.151 122.820 -0.056 0.000 1.861 235 A HA -0.165 4.155 4.320 -0.000 0.000 0.212 235 A C 2.358 179.936 177.584 -0.009 0.000 1.199 235 A CA 1.142 53.153 52.037 -0.042 0.000 0.613 235 A CB -0.376 18.575 19.000 -0.082 0.000 0.846 235 A HN 0.273 nan 8.150 nan 0.000 0.446 236 R N 0.670 121.177 120.500 0.013 0.000 2.127 236 R HA -0.036 4.304 4.340 -0.000 0.000 0.238 236 R C 1.955 178.296 176.300 0.068 0.000 1.134 236 R CA 1.987 58.131 56.100 0.074 0.000 0.975 236 R CB -0.940 29.476 30.300 0.193 0.000 0.865 236 R HN 0.391 nan 8.270 nan 0.000 0.447 237 A N 0.438 123.296 122.820 0.065 0.000 1.835 237 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 237 A C 2.420 180.027 177.584 0.037 0.000 1.199 237 A CA 1.858 53.928 52.037 0.054 0.000 0.615 237 A CB -1.384 17.646 19.000 0.050 0.000 0.838 237 A HN 0.474 nan 8.150 nan 0.000 0.444 238 A N -1.181 121.656 122.820 0.028 0.000 2.024 238 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 238 A C 1.960 179.559 177.584 0.026 0.000 1.164 238 A CA 1.825 53.877 52.037 0.025 0.000 0.643 238 A CB -0.476 18.536 19.000 0.020 0.000 0.806 238 A HN 0.437 nan 8.150 nan 0.000 0.451 239 I N -1.924 118.662 120.570 0.025 0.000 3.030 239 I HA 0.256 4.426 4.170 -0.000 0.000 0.270 239 I C 1.321 177.457 176.117 0.032 0.000 1.211 239 I CA 1.118 62.434 61.300 0.027 0.000 1.479 239 I CB -0.263 37.748 38.000 0.018 0.000 1.105 239 I HN 0.559 nan 8.210 nan 0.000 0.447 240 G N 0.981 109.802 108.800 0.035 0.000 2.757 240 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.638 240 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.638 240 G C -2.177 172.745 174.900 0.037 0.000 1.344 240 G CA -0.144 44.977 45.100 0.035 0.000 0.855 240 G HN 0.066 nan 8.290 nan 0.000 0.537 241 P HA 0.219 nan 4.420 nan 0.000 0.261 241 P C 0.203 177.523 177.300 0.033 0.000 1.268 241 P CA 0.804 63.923 63.100 0.033 0.000 0.833 241 P CB 0.459 32.175 31.700 0.027 0.000 1.231 242 D N -0.551 119.869 120.400 0.034 0.000 2.389 242 D HA 0.108 4.748 4.640 -0.000 0.000 0.206 242 D C 0.707 177.033 176.300 0.043 0.000 1.055 242 D CA 0.183 54.205 54.000 0.037 0.000 0.856 242 D CB 0.871 41.692 40.800 0.034 0.000 0.957 242 D HN 0.145 nan 8.370 nan 0.000 0.509 243 I N 1.791 122.386 120.570 0.042 0.000 2.396 243 I HA 0.270 4.440 4.170 -0.000 0.000 0.292 243 I C 0.694 176.833 176.117 0.037 0.000 0.999 243 I CA -1.160 60.167 61.300 0.046 0.000 1.310 243 I CB 0.929 38.955 38.000 0.044 0.000 1.404 243 I HN -0.216 nan 8.210 nan 0.000 0.496 244 A N 7.730 130.578 122.820 0.045 0.000 2.401 244 A HA 0.541 4.861 4.320 -0.000 0.000 0.259 244 A C -0.079 177.470 177.584 -0.058 0.000 1.103 244 A CA -0.373 51.675 52.037 0.018 0.000 0.789 244 A CB 0.434 19.476 19.000 0.071 0.000 1.035 244 A HN 0.811 nan 8.150 nan 0.000 0.491 245 M N 3.579 123.107 119.600 -0.119 0.000 2.093 245 M HA 0.607 5.087 4.480 -0.000 0.000 0.297 245 M C -0.411 175.671 176.300 -0.364 0.000 0.938 245 M CA -0.244 54.936 55.300 -0.201 0.000 0.920 245 M CB 1.248 33.782 32.600 -0.110 0.000 1.517 245 M HN 0.811 nan 8.290 nan 0.000 0.427 246 A N 3.817 126.253 122.820 -0.642 0.000 2.269 246 A HA 0.908 5.228 4.320 -0.000 0.000 0.327 246 A C -0.807 176.400 177.584 -0.628 0.000 1.112 246 A CA -0.582 50.851 52.037 -1.007 0.000 0.865 246 A CB 1.201 18.833 19.000 -2.280 0.000 1.227 246 A HN 0.986 nan 8.150 nan 0.000 0.498 247 V N -1.637 117.947 119.914 -0.551 0.000 3.007 247 V HA 0.775 4.895 4.120 -0.000 0.000 0.311 247 V C -1.444 174.497 176.094 -0.255 0.000 1.120 247 V CA -0.793 61.327 62.300 -0.299 0.000 0.980 247 V CB 2.121 33.861 31.823 -0.138 0.000 1.033 247 V HN 0.800 nan 8.190 nan 0.000 0.429 248 D N 1.985 122.261 120.400 -0.206 0.000 2.575 248 D HA 0.668 5.308 4.640 -0.000 0.000 0.250 248 D C 0.394 176.521 176.300 -0.288 0.000 1.279 248 D CA 0.104 53.990 54.000 -0.189 0.000 0.925 248 D CB 2.168 42.893 40.800 -0.125 0.000 1.261 248 D HN 0.914 nan 8.370 nan 0.000 0.567 249 A N 3.644 126.178 122.820 -0.477 0.000 2.251 249 A HA 0.077 4.397 4.320 -0.000 0.000 0.209 249 A C 0.933 178.124 177.584 -0.654 0.000 1.187 249 A CA -0.099 51.439 52.037 -0.831 0.000 0.823 249 A CB -0.312 17.559 19.000 -1.882 0.000 0.846 249 A HN 0.744 nan 8.150 nan 0.000 0.486 250 N N 0.221 118.675 118.700 -0.411 0.000 2.714 250 N HA -0.252 4.488 4.740 -0.000 0.000 0.252 250 N C -0.320 174.978 175.510 -0.353 0.000 1.014 250 N CA 1.285 54.142 53.050 -0.322 0.000 0.735 250 N CB -1.175 37.179 38.487 -0.221 0.000 0.924 250 N HN 0.786 nan 8.380 nan 0.000 0.540 251 Q N -3.242 116.326 119.800 -0.387 0.000 2.460 251 Q HA -0.268 4.072 4.340 -0.000 0.000 0.248 251 Q C 0.853 176.658 176.000 -0.325 0.000 0.847 251 Q CA 1.109 56.728 55.803 -0.307 0.000 1.214 251 Q CB -0.615 27.993 28.738 -0.216 0.000 1.523 251 Q HN 0.417 nan 8.270 nan 0.000 0.602 252 R N -0.357 119.831 120.500 -0.521 0.000 2.153 252 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 252 R C 0.676 176.866 176.300 -0.184 0.000 1.072 252 R CA 0.928 56.786 56.100 -0.403 0.000 0.990 252 R CB 0.059 30.059 30.300 -0.501 0.000 0.889 252 R HN 0.283 nan 8.270 nan 0.000 0.452 253 W N 1.379 122.563 121.300 -0.192 0.000 2.332 253 W HA 0.309 4.969 4.660 -0.000 0.000 0.351 253 W C 0.036 176.494 176.519 -0.102 0.000 1.195 253 W CA -1.285 55.973 57.345 -0.146 0.000 1.334 253 W CB -0.037 29.306 29.460 -0.195 0.000 1.206 253 W HN -0.168 nan 8.180 nan 0.000 0.637 254 D N -0.702 119.813 120.400 0.192 0.000 2.332 254 D HA 0.253 4.893 4.640 -0.000 0.000 0.252 254 D C 1.290 177.631 176.300 0.070 0.000 1.050 254 D CA -0.594 53.457 54.000 0.084 0.000 0.970 254 D CB 1.955 42.793 40.800 0.063 0.000 1.141 254 D HN -0.089 nan 8.370 nan 0.000 0.485 255 V N 1.287 121.214 119.914 0.023 0.000 2.231 255 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 255 V C 2.294 178.393 176.094 0.008 0.000 1.058 255 V CA 2.585 64.888 62.300 0.006 0.000 1.022 255 V CB -0.988 30.831 31.823 -0.007 0.000 0.640 255 V HN 0.781 nan 8.190 nan 0.000 0.445 256 G N 0.325 109.129 108.800 0.007 0.000 2.514 256 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 256 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 256 G C -0.154 174.737 174.900 -0.015 0.000 1.198 256 G CA 1.359 46.457 45.100 -0.003 0.000 0.780 256 G HN 0.528 nan 8.290 nan 0.000 0.565 257 P HA -0.072 nan 4.420 nan 0.000 0.216 257 P C 2.238 179.449 177.300 -0.148 0.000 1.153 257 P CA 2.096 65.176 63.100 -0.033 0.000 0.858 257 P CB -0.196 31.523 31.700 0.031 0.000 0.789 258 A N -0.806 121.934 122.820 -0.134 0.000 1.940 258 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 258 A C 2.200 179.677 177.584 -0.178 0.000 1.176 258 A CA 1.512 53.404 52.037 -0.241 0.000 0.631 258 A CB -1.610 17.508 19.000 0.196 0.000 0.814 258 A HN 0.129 nan 8.150 nan 0.000 0.446 259 I N -0.358 120.170 120.570 -0.070 0.000 2.202 259 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 259 I C 1.814 177.901 176.117 -0.051 0.000 1.091 259 I CA 1.469 62.746 61.300 -0.038 0.000 1.368 259 I CB -0.510 37.480 38.000 -0.017 0.000 1.058 259 I HN 0.232 nan 8.210 nan 0.000 0.410 260 D N 0.099 120.460 120.400 -0.064 0.000 2.144 260 D HA -0.207 4.433 4.640 -0.000 0.000 0.200 260 D C 1.814 178.073 176.300 -0.069 0.000 0.978 260 D CA 0.894 54.855 54.000 -0.065 0.000 0.833 260 D CB -0.299 40.458 40.800 -0.072 0.000 0.961 260 D HN 0.420 nan 8.370 nan 0.000 0.470 261 W N 0.931 122.003 121.300 -0.380 0.000 2.358 261 W HA -0.096 4.564 4.660 0.000 0.000 0.303 261 W C 1.738 178.052 176.519 -0.341 0.000 1.208 261 W CA 0.784 57.840 57.345 -0.481 0.000 1.274 261 W CB -0.237 28.600 29.460 -1.038 0.000 1.138 261 W HN -0.048 nan 8.180 nan 0.000 0.515 262 M N 0.264 119.861 119.600 -0.006 0.000 2.254 262 M HA -0.088 4.391 4.480 -0.000 0.000 0.265 262 M C 1.899 178.243 176.300 0.073 0.000 1.066 262 M CA 1.283 56.625 55.300 0.070 0.000 1.123 262 M CB -1.229 31.408 32.600 0.061 0.000 1.388 262 M HN -0.017 nan 8.290 nan 0.000 0.425 263 R N -0.116 120.401 120.500 0.028 0.000 2.285 263 R HA -0.095 4.245 4.340 -0.000 0.000 0.213 263 R C 1.793 178.104 176.300 0.018 0.000 1.068 263 R CA 0.727 56.838 56.100 0.018 0.000 1.004 263 R CB -0.136 30.162 30.300 -0.005 0.000 0.873 263 R HN 0.586 nan 8.270 nan 0.000 0.467 264 Q N -0.102 119.716 119.800 0.029 0.000 2.398 264 Q HA 0.080 4.420 4.340 -0.000 0.000 0.204 264 Q C 1.523 177.609 176.000 0.143 0.000 0.932 264 Q CA 0.576 56.398 55.803 0.032 0.000 0.916 264 Q CB 0.458 29.171 28.738 -0.042 0.000 1.024 264 Q HN 0.324 nan 8.270 nan 0.000 0.504 265 L N -0.765 120.576 121.223 0.197 0.000 2.664 265 L HA 0.255 4.595 4.340 -0.000 0.000 0.233 265 L C 2.086 179.128 176.870 0.286 0.000 1.113 265 L CA 0.012 55.059 54.840 0.346 0.000 0.896 265 L CB -0.093 42.140 42.059 0.289 0.000 1.163 265 L HN 0.101 nan 8.230 nan 0.000 0.497 266 A N 1.748 124.646 122.820 0.130 0.000 1.892 266 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 266 A C 2.190 179.779 177.584 0.008 0.000 1.188 266 A CA 2.261 54.337 52.037 0.066 0.000 0.631 266 A CB -0.485 18.532 19.000 0.027 0.000 0.822 266 A HN 0.646 nan 8.150 nan 0.000 0.447 267 E N -0.730 119.402 120.200 -0.114 0.000 2.086 267 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 267 E C 1.388 177.826 176.600 -0.270 0.000 1.012 267 E CA 1.625 57.864 56.400 -0.269 0.000 0.812 267 E CB -0.831 28.578 29.700 -0.485 0.000 0.743 267 E HN 0.605 nan 8.360 nan 0.000 0.453 268 F N 1.785 121.735 119.950 -0.000 0.000 2.706 268 F HA -0.002 4.525 4.527 -0.000 0.000 0.295 268 F C 0.116 175.909 175.800 -0.011 0.000 1.228 268 F CA 0.832 58.829 58.000 -0.005 0.000 1.474 268 F CB -0.852 38.145 39.000 -0.005 0.000 1.120 268 F HN -0.025 nan 8.300 nan 0.000 0.605 269 D N 1.285 121.737 120.400 0.086 0.000 4.478 269 D HA -0.184 4.456 4.640 -0.000 0.000 0.238 269 D C -0.783 175.551 176.300 0.056 0.000 1.056 269 D CA 0.194 54.228 54.000 0.056 0.000 1.245 269 D CB -0.455 40.370 40.800 0.042 0.000 0.794 269 D HN -0.032 nan 8.370 nan 0.000 0.394 270 I N 2.564 123.162 120.570 0.046 0.000 2.353 270 I HA 0.415 4.585 4.170 -0.000 0.000 0.293 270 I C 1.869 177.983 176.117 -0.004 0.000 0.992 270 I CA -0.287 61.015 61.300 0.004 0.000 1.268 270 I CB 0.648 38.662 38.000 0.023 0.000 1.387 270 I HN 0.477 nan 8.210 nan 0.000 0.478 271 A N 6.715 129.484 122.820 -0.086 0.000 1.930 271 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 271 A C 0.334 178.042 177.584 0.207 0.000 1.175 271 A CA 1.139 53.181 52.037 0.009 0.000 0.627 271 A CB -0.096 18.808 19.000 -0.161 0.000 0.815 271 A HN 0.879 nan 8.150 nan 0.000 0.443 272 W N -4.039 117.188 121.300 -0.120 0.000 3.235 272 W HA 0.490 5.150 4.660 -0.000 0.000 0.318 272 W C -1.924 174.544 176.519 -0.085 0.000 1.124 272 W CA -1.507 55.767 57.345 -0.117 0.000 1.110 272 W CB -0.185 29.148 29.460 -0.212 0.000 1.415 272 W HN 0.182 nan 8.180 nan 0.000 0.563 273 I N 2.525 123.222 120.570 0.213 0.000 2.362 273 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 273 I C -0.400 175.858 176.117 0.236 0.000 0.994 273 I CA -0.879 60.494 61.300 0.121 0.000 1.158 273 I CB 1.328 39.421 38.000 0.154 0.000 1.315 273 I HN 0.564 nan 8.210 nan 0.000 0.451 274 E N 6.123 126.420 120.200 0.162 0.000 2.249 274 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 274 E C -0.503 176.095 176.600 -0.003 0.000 1.016 274 E CA -0.296 56.206 56.400 0.171 0.000 0.830 274 E CB 0.603 30.435 29.700 0.219 0.000 1.081 274 E HN 0.637 nan 8.360 nan 0.000 0.395 275 E N 3.055 123.276 120.200 0.036 0.000 2.160 275 E HA -0.181 4.169 4.350 -0.000 0.000 0.180 275 E C -1.830 174.677 176.600 -0.154 0.000 1.452 275 E CA 0.090 56.492 56.400 0.003 0.000 0.683 275 E CB -0.487 29.141 29.700 -0.121 0.000 1.072 275 E HN 0.541 nan 8.360 nan 0.000 0.332 276 P HA -0.126 nan 4.420 nan 0.000 0.223 276 P C 0.717 177.865 177.300 -0.253 0.000 1.151 276 P CA 1.205 64.167 63.100 -0.231 0.000 0.787 276 P CB 0.514 32.256 31.700 0.071 0.000 0.788 277 T N -2.053 112.336 114.554 -0.275 0.000 2.647 277 T HA 0.309 4.659 4.350 -0.000 0.000 0.295 277 T C -0.982 173.663 174.700 -0.092 0.000 1.126 277 T CA -0.472 61.504 62.100 -0.207 0.000 1.040 277 T CB 0.992 69.717 68.868 -0.238 0.000 1.472 277 T HN -0.181 nan 8.240 nan 0.000 0.500 278 S N 2.093 117.762 115.700 -0.052 0.000 2.573 278 S HA 0.094 4.564 4.470 -0.000 0.000 0.297 278 S C -1.260 173.387 174.600 0.080 0.000 1.280 278 S CA -0.501 57.696 58.200 -0.005 0.000 1.061 278 S CB 0.561 63.757 63.200 -0.008 0.000 0.812 278 S HN 0.528 nan 8.310 nan 0.000 0.500 279 P HA -0.034 nan 4.420 nan 0.000 0.230 279 P C 0.159 177.429 177.300 -0.049 0.000 1.158 279 P CA 0.835 63.931 63.100 -0.006 0.000 0.769 279 P CB 0.084 31.780 31.700 -0.006 0.000 0.807 280 D N -0.766 119.622 120.400 -0.020 0.000 2.350 280 D HA -0.013 4.627 4.640 -0.000 0.000 0.213 280 D C 0.376 176.667 176.300 -0.015 0.000 1.031 280 D CA 0.498 54.472 54.000 -0.044 0.000 0.861 280 D CB -0.227 40.547 40.800 -0.043 0.000 0.926 280 D HN 0.116 nan 8.370 nan 0.000 0.520 281 D N 1.288 121.717 120.400 0.049 0.000 2.517 281 D HA 0.049 4.689 4.640 -0.000 0.000 0.220 281 D C 1.424 177.811 176.300 0.146 0.000 1.158 281 D CA -0.183 53.862 54.000 0.074 0.000 0.992 281 D CB 0.830 41.659 40.800 0.048 0.000 1.058 281 D HN -0.214 nan 8.370 nan 0.000 0.516 282 V N 3.437 123.376 119.914 0.042 0.000 2.261 282 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 282 V C 2.561 178.686 176.094 0.052 0.000 1.047 282 V CA 1.290 63.601 62.300 0.018 0.000 1.015 282 V CB -0.406 31.394 31.823 -0.039 0.000 0.642 282 V HN 0.555 nan 8.190 nan 0.000 0.446 283 L N 0.442 121.682 121.223 0.029 0.000 2.083 283 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 283 L C 2.639 179.530 176.870 0.035 0.000 1.083 283 L CA 1.657 56.512 54.840 0.026 0.000 0.752 283 L CB -1.238 40.828 42.059 0.011 0.000 0.899 283 L HN 0.487 nan 8.230 nan 0.000 0.433 284 G N -1.201 107.619 108.800 0.034 0.000 2.421 284 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 284 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 284 G C 1.415 176.301 174.900 -0.023 0.000 1.171 284 G CA 0.437 45.533 45.100 -0.006 0.000 0.775 284 G HN 0.390 nan 8.290 nan 0.000 0.543 285 H N 0.628 119.693 119.070 -0.008 0.000 2.387 285 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 285 H C 2.950 178.282 175.328 0.006 0.000 1.090 285 H CA 1.139 57.186 56.048 -0.002 0.000 1.332 285 H CB -0.047 29.701 29.762 -0.023 0.000 1.386 285 H HN 0.409 nan 8.280 nan 0.000 0.516 286 A N 1.160 124.050 122.820 0.116 0.000 1.898 286 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 286 A C 2.689 180.302 177.584 0.047 0.000 1.181 286 A CA 1.476 53.553 52.037 0.068 0.000 0.620 286 A CB -0.685 18.344 19.000 0.047 0.000 0.819 286 A HN 0.428 nan 8.150 nan 0.000 0.442 287 A N -0.042 122.798 122.820 0.033 0.000 1.902 287 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 287 A C 2.122 179.718 177.584 0.019 0.000 1.181 287 A CA 1.501 53.550 52.037 0.020 0.000 0.623 287 A CB -0.594 18.412 19.000 0.010 0.000 0.818 287 A HN 0.489 nan 8.150 nan 0.000 0.443 288 I N -1.056 119.521 120.570 0.013 0.000 2.142 288 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 288 I C 2.716 178.857 176.117 0.040 0.000 1.078 288 I CA 1.658 62.968 61.300 0.017 0.000 1.343 288 I CB -0.363 37.635 38.000 -0.004 0.000 1.046 288 I HN 0.361 nan 8.210 nan 0.000 0.405 289 R N 0.899 121.433 120.500 0.056 0.000 2.096 289 R HA -0.274 4.066 4.340 -0.000 0.000 0.240 289 R C 2.310 178.639 176.300 0.048 0.000 1.139 289 R CA 2.121 58.259 56.100 0.063 0.000 0.952 289 R CB -0.248 30.094 30.300 0.070 0.000 0.854 289 R HN 0.432 nan 8.270 nan 0.000 0.436 290 Q N -1.216 118.608 119.800 0.040 0.000 2.124 290 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 290 Q C 2.045 178.061 176.000 0.026 0.000 0.977 290 Q CA 1.566 57.388 55.803 0.032 0.000 0.850 290 Q CB -0.189 28.566 28.738 0.027 0.000 0.901 290 Q HN 0.565 nan 8.270 nan 0.000 0.429 291 G N 1.172 109.987 108.800 0.024 0.000 2.443 291 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 291 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 291 G C 1.282 176.194 174.900 0.019 0.000 1.131 291 G CA 0.763 45.873 45.100 0.017 0.000 0.775 291 G HN 0.515 nan 8.290 nan 0.000 0.547 292 I N -1.199 119.389 120.570 0.030 0.000 3.877 292 I HA 0.325 4.495 4.170 -0.000 0.000 0.332 292 I C 0.677 176.817 176.117 0.038 0.000 1.525 292 I CA -0.511 60.809 61.300 0.034 0.000 1.146 292 I CB 0.080 38.108 38.000 0.047 0.000 1.137 292 I HN -0.105 nan 8.210 nan 0.000 0.424 293 T N 3.549 118.123 114.554 0.034 0.000 2.939 293 T HA 0.098 4.448 4.350 -0.000 0.000 0.312 293 T C -0.831 173.887 174.700 0.030 0.000 1.064 293 T CA -0.385 61.736 62.100 0.035 0.000 1.136 293 T CB 0.469 69.355 68.868 0.030 0.000 1.035 293 T HN 0.405 nan 8.240 nan 0.000 0.538 294 P HA 0.216 nan 4.420 nan 0.000 0.258 294 P C -0.232 177.099 177.300 0.051 0.000 1.416 294 P CA -0.294 62.830 63.100 0.040 0.000 0.927 294 P CB 0.020 31.741 31.700 0.035 0.000 1.444 295 V N 3.185 123.133 119.914 0.056 0.000 2.450 295 V HA 0.067 4.187 4.120 -0.000 0.000 0.281 295 V C -1.970 174.176 176.094 0.087 0.000 1.019 295 V CA -0.936 61.407 62.300 0.072 0.000 1.062 295 V CB -0.224 31.644 31.823 0.075 0.000 0.979 295 V HN 0.121 nan 8.190 nan 0.000 0.477 296 P HA 0.203 nan 4.420 nan 0.000 0.269 296 P C -0.674 176.707 177.300 0.135 0.000 1.209 296 P CA 0.014 63.177 63.100 0.105 0.000 0.776 296 P CB 0.671 32.435 31.700 0.107 0.000 0.876 297 V N 2.114 122.087 119.914 0.098 0.000 2.628 297 V HA 0.643 4.763 4.120 -0.000 0.000 0.306 297 V C 0.195 176.320 176.094 0.052 0.000 1.045 297 V CA -0.247 62.126 62.300 0.121 0.000 0.905 297 V CB 1.740 33.644 31.823 0.135 0.000 0.997 297 V HN 0.760 nan 8.190 nan 0.000 0.436 298 S N 2.698 118.435 115.700 0.062 0.000 2.697 298 S HA 0.937 5.407 4.470 -0.000 0.000 0.289 298 S C -0.696 173.892 174.600 -0.021 0.000 1.149 298 S CA -0.321 57.843 58.200 -0.060 0.000 0.850 298 S CB 2.531 65.558 63.200 -0.289 0.000 1.151 298 S HN 1.041 nan 8.310 nan 0.000 0.491 299 T N -1.673 112.832 114.554 -0.083 0.000 2.717 299 T HA 0.605 4.955 4.350 -0.000 0.000 0.315 299 T C 0.228 174.887 174.700 -0.068 0.000 1.746 299 T CA 0.460 62.490 62.100 -0.116 0.000 1.001 299 T CB 0.567 69.220 68.868 -0.358 0.000 1.673 299 T HN 2.228 nan 8.240 nan 0.000 0.498 300 G N 1.153 109.909 108.800 -0.073 0.000 3.302 300 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 300 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 300 G C 0.817 175.783 174.900 0.111 0.000 1.008 300 G CA 1.070 46.202 45.100 0.054 0.000 0.852 300 G HN 0.968 nan 8.290 nan 0.000 0.485 301 E N 0.100 120.312 120.200 0.019 0.000 2.204 301 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 301 E C 1.613 178.277 176.600 0.107 0.000 0.990 301 E CA 1.489 57.853 56.400 -0.060 0.000 0.821 301 E CB -0.220 29.169 29.700 -0.519 0.000 0.750 301 E HN 0.511 nan 8.360 nan 0.000 0.477 302 H N 0.030 119.028 119.070 -0.120 0.000 2.652 302 H HA 0.229 4.785 4.556 -0.000 0.000 0.274 302 H C -0.301 174.958 175.328 -0.116 0.000 1.021 302 H CA 0.125 56.114 56.048 -0.098 0.000 1.187 302 H CB 0.708 30.407 29.762 -0.104 0.000 1.505 302 H HN -0.017 nan 8.280 nan 0.000 0.530 303 T N 2.644 117.144 114.554 -0.090 0.000 2.792 303 T HA -0.079 4.271 4.350 -0.000 0.000 0.286 303 T C 1.573 176.198 174.700 -0.124 0.000 0.970 303 T CA -0.013 61.908 62.100 -0.298 0.000 1.187 303 T CB 0.716 69.023 68.868 -0.935 0.000 0.915 303 T HN 0.567 nan 8.240 nan 0.000 0.529 304 Q N 3.156 122.894 119.800 -0.103 0.000 2.181 304 Q HA -0.185 4.155 4.340 -0.000 0.000 0.205 304 Q C 0.513 176.562 176.000 0.081 0.000 0.980 304 Q CA 1.373 57.168 55.803 -0.013 0.000 0.862 304 Q CB -0.212 28.492 28.738 -0.058 0.000 0.905 304 Q HN 0.817 nan 8.270 nan 0.000 0.429 305 N N -1.528 117.214 118.700 0.070 0.000 3.261 305 N HA 0.053 4.793 4.740 -0.000 0.000 0.248 305 N C -0.015 175.649 175.510 0.257 0.000 1.498 305 N CA -0.464 52.691 53.050 0.175 0.000 0.884 305 N CB 0.296 38.822 38.487 0.065 0.000 1.428 305 N HN 0.048 nan 8.380 nan 0.000 0.517 306 R N -0.580 120.069 120.500 0.248 0.000 2.200 306 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 306 R C 0.451 176.858 176.300 0.179 0.000 1.127 306 R CA 1.597 57.841 56.100 0.240 0.000 0.989 306 R CB -0.873 29.496 30.300 0.115 0.000 0.869 306 R HN 0.314 nan 8.270 nan 0.000 0.459 307 V N 1.211 121.191 119.914 0.109 0.000 2.453 307 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 307 V C 2.451 178.543 176.094 -0.003 0.000 1.048 307 V CA 1.325 63.655 62.300 0.051 0.000 1.049 307 V CB -0.031 31.787 31.823 -0.009 0.000 0.672 307 V HN 0.171 nan 8.190 nan 0.000 0.457 308 V N -0.897 118.990 119.914 -0.045 0.000 2.453 308 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 308 V C 2.157 178.156 176.094 -0.159 0.000 1.048 308 V CA 1.840 64.055 62.300 -0.142 0.000 1.049 308 V CB -0.722 30.964 31.823 -0.229 0.000 0.672 308 V HN 0.426 nan 8.190 nan 0.000 0.457 309 F N 0.743 120.644 119.950 -0.082 0.000 2.126 309 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 309 F C 2.529 178.236 175.800 -0.154 0.000 1.096 309 F CA 2.218 60.154 58.000 -0.107 0.000 1.255 309 F CB -0.279 38.675 39.000 -0.076 0.000 0.997 309 F HN 0.027 nan 8.300 nan 0.000 0.479 310 K N 0.443 120.883 120.400 0.067 0.000 2.044 310 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 310 K C 1.990 178.507 176.600 -0.138 0.000 1.049 310 K CA 2.023 58.277 56.287 -0.055 0.000 0.927 310 K CB -0.278 32.238 32.500 0.027 0.000 0.713 310 K HN 0.340 nan 8.250 nan 0.000 0.443 311 Q N -0.032 119.716 119.800 -0.085 0.000 2.119 311 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 311 Q C 2.111 178.041 176.000 -0.117 0.000 0.972 311 Q CA 0.933 56.682 55.803 -0.089 0.000 0.847 311 Q CB 0.033 28.727 28.738 -0.073 0.000 0.903 311 Q HN 0.256 nan 8.270 nan 0.000 0.433 312 L N 0.087 121.228 121.223 -0.137 0.000 2.042 312 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 312 L C 2.117 178.898 176.870 -0.149 0.000 1.076 312 L CA 1.483 56.241 54.840 -0.137 0.000 0.749 312 L CB -1.008 40.955 42.059 -0.159 0.000 0.893 312 L HN 0.299 nan 8.230 nan 0.000 0.432 313 L N -0.821 120.245 121.223 -0.261 0.000 2.072 313 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 313 L C 2.649 179.280 176.870 -0.398 0.000 1.079 313 L CA 1.417 55.974 54.840 -0.472 0.000 0.752 313 L CB -1.008 40.430 42.059 -1.035 0.000 0.906 313 L HN 0.322 nan 8.230 nan 0.000 0.436 314 Q N -1.059 118.549 119.800 -0.320 0.000 2.124 314 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 314 Q C 2.031 178.047 176.000 0.027 0.000 0.977 314 Q CA 1.542 57.333 55.803 -0.021 0.000 0.850 314 Q CB -0.225 28.523 28.738 0.016 0.000 0.901 314 Q HN 0.526 nan 8.270 nan 0.000 0.429 315 A N 0.043 122.852 122.820 -0.018 0.000 2.238 315 A HA 0.257 4.577 4.320 -0.000 0.000 0.208 315 A C 1.346 178.942 177.584 0.019 0.000 1.177 315 A CA 0.632 52.673 52.037 0.007 0.000 0.804 315 A CB -0.400 18.597 19.000 -0.006 0.000 0.823 315 A HN 0.429 nan 8.150 nan 0.000 0.482 316 G N -1.353 107.457 108.800 0.016 0.000 2.323 316 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.292 316 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.292 316 G C 0.784 175.701 174.900 0.028 0.000 1.040 316 G CA 0.490 45.611 45.100 0.035 0.000 0.942 316 G HN 1.405 nan 8.290 nan 0.000 0.506 317 A N -1.463 121.362 122.820 0.009 0.000 2.238 317 A HA 0.611 4.931 4.320 -0.000 0.000 0.210 317 A C 1.246 178.849 177.584 0.032 0.000 1.179 317 A CA 1.581 53.637 52.037 0.032 0.000 0.827 317 A CB 0.223 19.237 19.000 0.023 0.000 0.856 317 A HN 1.950 nan 8.150 nan 0.000 0.488 318 V N -4.308 115.608 119.914 0.004 0.000 3.007 318 V HA 0.612 4.732 4.120 -0.000 0.000 0.311 318 V C -0.484 175.614 176.094 0.008 0.000 1.120 318 V CA -0.574 61.725 62.300 -0.001 0.000 0.980 318 V CB 1.760 33.558 31.823 -0.041 0.000 1.033 318 V HN 0.112 nan 8.190 nan 0.000 0.429 319 D N 1.706 122.104 120.400 -0.003 0.000 2.355 319 D HA 0.416 5.056 4.640 -0.000 0.000 0.206 319 D C 0.098 176.379 176.300 -0.032 0.000 1.010 319 D CA 1.160 55.159 54.000 -0.001 0.000 0.875 319 D CB 0.517 41.321 40.800 0.006 0.000 0.966 319 D HN 0.723 nan 8.370 nan 0.000 0.512 320 L N -1.587 119.581 121.223 -0.091 0.000 2.710 320 L HA 0.575 4.915 4.340 -0.000 0.000 0.260 320 L C -1.522 175.274 176.870 -0.124 0.000 0.993 320 L CA -1.417 53.354 54.840 -0.115 0.000 0.877 320 L CB 1.426 43.305 42.059 -0.301 0.000 1.461 320 L HN -0.099 nan 8.230 nan 0.000 0.413 321 I N -1.529 119.019 120.570 -0.036 0.000 3.042 321 I HA 0.830 5.000 4.170 -0.000 0.000 0.310 321 I C -0.964 175.192 176.117 0.066 0.000 1.117 321 I CA -0.798 60.519 61.300 0.027 0.000 1.003 321 I CB 2.258 40.351 38.000 0.154 0.000 1.228 321 I HN 0.732 nan 8.210 nan 0.000 0.443 322 Q N 3.065 122.941 119.800 0.126 0.000 2.257 322 Q HA 0.758 5.098 4.340 -0.000 0.000 0.262 322 Q C -0.794 175.328 176.000 0.203 0.000 0.997 322 Q CA -0.539 55.367 55.803 0.172 0.000 0.873 322 Q CB 2.521 31.373 28.738 0.190 0.000 1.312 322 Q HN 0.701 nan 8.270 nan 0.000 0.450 323 I N -2.789 117.869 120.570 0.145 0.000 2.892 323 I HA 0.712 4.882 4.170 -0.000 0.000 0.306 323 I C -1.092 175.116 176.117 0.152 0.000 1.078 323 I CA -0.876 60.478 61.300 0.089 0.000 1.032 323 I CB 2.493 40.449 38.000 -0.075 0.000 1.229 323 I HN 0.385 nan 8.210 nan 0.000 0.435 324 D N 3.027 123.517 120.400 0.151 0.000 2.780 324 D HA 0.451 5.091 4.640 -0.000 0.000 0.242 324 D C 0.482 176.845 176.300 0.105 0.000 1.135 324 D CA -0.467 53.637 54.000 0.173 0.000 0.859 324 D CB 2.724 43.661 40.800 0.229 0.000 1.530 324 D HN 0.787 nan 8.370 nan 0.000 0.493 325 A N 2.747 125.613 122.820 0.076 0.000 2.019 325 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 325 A C 1.538 179.141 177.584 0.032 0.000 1.164 325 A CA 1.873 53.938 52.037 0.046 0.000 0.644 325 A CB -0.031 18.965 19.000 -0.007 0.000 0.805 325 A HN 0.547 nan 8.150 nan 0.000 0.449 326 A N -1.645 121.209 122.820 0.057 0.000 2.469 326 A HA 0.368 4.688 4.320 -0.000 0.000 0.245 326 A C 1.782 179.392 177.584 0.044 0.000 1.221 326 A CA 0.661 52.729 52.037 0.051 0.000 0.946 326 A CB -0.044 19.008 19.000 0.087 0.000 1.049 326 A HN 0.324 nan 8.150 nan 0.000 0.529 327 R N 0.340 120.876 120.500 0.060 0.000 2.127 327 R HA 0.056 4.396 4.340 -0.000 0.000 0.217 327 R C 0.955 177.278 176.300 0.039 0.000 1.074 327 R CA 1.767 57.888 56.100 0.035 0.000 0.991 327 R CB -0.598 29.731 30.300 0.050 0.000 0.895 327 R HN 0.436 nan 8.270 nan 0.000 0.450 328 V N -3.391 116.549 119.914 0.043 0.000 3.602 328 V HA 0.609 4.729 4.120 -0.000 0.000 0.285 328 V C 1.039 177.017 176.094 -0.194 0.000 1.187 328 V CA -0.490 61.831 62.300 0.034 0.000 0.940 328 V CB 0.375 32.277 31.823 0.132 0.000 1.250 328 V HN 0.026 nan 8.190 nan 0.000 0.455 329 G N -0.264 108.428 108.800 -0.180 0.000 3.397 329 G HA2 0.528 4.488 3.960 -0.000 0.000 0.248 329 G HA3 0.528 4.488 3.960 -0.000 0.000 0.248 329 G C 0.760 175.632 174.900 -0.048 0.000 1.284 329 G CA 0.589 45.535 45.100 -0.256 0.000 1.570 329 G HN 1.910 nan 8.290 nan 0.000 0.587 330 G N -0.839 107.941 108.800 -0.033 0.000 2.750 330 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.228 330 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.228 330 G C 1.024 175.889 174.900 -0.058 0.000 1.367 330 G CA -0.358 44.756 45.100 0.024 0.000 0.871 330 G HN 0.660 nan 8.290 nan 0.000 0.560 331 V N 0.571 120.351 119.914 -0.224 0.000 2.278 331 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 331 V C 2.800 178.666 176.094 -0.380 0.000 1.062 331 V CA 3.253 65.219 62.300 -0.556 0.000 1.038 331 V CB -1.048 29.819 31.823 -1.593 0.000 0.646 331 V HN 0.741 nan 8.190 nan 0.000 0.447 332 N N 0.256 118.879 118.700 -0.127 0.000 2.037 332 N HA -0.252 4.488 4.740 -0.000 0.000 0.196 332 N C 1.890 177.385 175.510 -0.024 0.000 1.034 332 N CA 1.962 55.048 53.050 0.060 0.000 0.861 332 N CB -0.356 38.264 38.487 0.221 0.000 1.039 332 N HN 0.672 nan 8.380 nan 0.000 0.427 333 E N 0.196 120.392 120.200 -0.007 0.000 2.106 333 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 333 E C 1.292 177.854 176.600 -0.063 0.000 0.984 333 E CA 0.815 57.211 56.400 -0.007 0.000 0.806 333 E CB 0.039 29.777 29.700 0.063 0.000 0.750 333 E HN 0.290 nan 8.360 nan 0.000 0.458 334 N N 0.244 118.888 118.700 -0.093 0.000 2.309 334 N HA -0.119 4.621 4.740 -0.000 0.000 0.182 334 N C 1.788 177.207 175.510 -0.151 0.000 1.018 334 N CA 0.705 53.676 53.050 -0.133 0.000 0.876 334 N CB -0.014 38.403 38.487 -0.117 0.000 0.972 334 N HN 0.273 nan 8.380 nan 0.000 0.434 335 L N 0.436 121.571 121.223 -0.147 0.000 2.072 335 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 335 L C 2.440 179.249 176.870 -0.100 0.000 1.079 335 L CA 0.861 55.629 54.840 -0.121 0.000 0.752 335 L CB -0.445 41.551 42.059 -0.106 0.000 0.906 335 L HN 0.077 nan 8.230 nan 0.000 0.436 336 A N 0.530 123.281 122.820 -0.116 0.000 1.902 336 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 336 A C 2.190 179.718 177.584 -0.094 0.000 1.181 336 A CA 1.549 53.514 52.037 -0.119 0.000 0.623 336 A CB -0.654 18.259 19.000 -0.145 0.000 0.818 336 A HN 0.353 nan 8.150 nan 0.000 0.443 337 I N -0.418 120.060 120.570 -0.154 0.000 2.226 337 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 337 I C 2.333 178.325 176.117 -0.208 0.000 1.100 337 I CA 1.076 62.215 61.300 -0.268 0.000 1.374 337 I CB -0.355 37.312 38.000 -0.556 0.000 1.057 337 I HN 0.281 nan 8.210 nan 0.000 0.413 338 L N 0.113 121.242 121.223 -0.157 0.000 2.083 338 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 338 L C 2.490 179.341 176.870 -0.032 0.000 1.083 338 L CA 1.231 56.014 54.840 -0.094 0.000 0.752 338 L CB -0.411 41.602 42.059 -0.077 0.000 0.899 338 L HN 0.273 nan 8.230 nan 0.000 0.433 339 L N -1.248 119.966 121.223 -0.015 0.000 2.109 339 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 339 L C 2.450 179.371 176.870 0.085 0.000 1.086 339 L CA 0.432 55.295 54.840 0.038 0.000 0.760 339 L CB -0.326 41.765 42.059 0.054 0.000 0.910 339 L HN 0.213 nan 8.230 nan 0.000 0.437 340 L N 0.088 121.360 121.223 0.081 0.000 1.976 340 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 340 L C 2.844 179.846 176.870 0.219 0.000 1.071 340 L CA 2.213 57.158 54.840 0.175 0.000 0.746 340 L CB -1.550 40.554 42.059 0.074 0.000 0.890 340 L HN 0.204 nan 8.230 nan 0.000 0.432 341 A N -0.705 122.163 122.820 0.080 0.000 1.917 341 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 341 A C 2.468 180.126 177.584 0.123 0.000 1.182 341 A CA 2.199 54.286 52.037 0.084 0.000 0.633 341 A CB -0.871 18.130 19.000 0.001 0.000 0.819 341 A HN 0.462 nan 8.150 nan 0.000 0.448 342 A N -0.426 122.446 122.820 0.087 0.000 1.877 342 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 342 A C 2.170 179.800 177.584 0.076 0.000 1.186 342 A CA 1.983 54.060 52.037 0.067 0.000 0.620 342 A CB -0.479 18.545 19.000 0.040 0.000 0.822 342 A HN 0.540 nan 8.150 nan 0.000 0.443 343 K N -1.563 118.898 120.400 0.101 0.000 2.097 343 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 343 K C 1.204 177.771 176.600 -0.054 0.000 1.049 343 K CA 1.454 57.753 56.287 0.020 0.000 0.933 343 K CB -0.242 32.266 32.500 0.014 0.000 0.717 343 K HN 0.422 nan 8.250 nan 0.000 0.442 344 F N 0.328 120.292 119.950 0.024 0.000 2.797 344 F HA 0.189 4.716 4.527 -0.000 0.000 0.302 344 F C 1.239 177.052 175.800 0.023 0.000 1.130 344 F CA 0.760 58.776 58.000 0.026 0.000 1.387 344 F CB 0.429 39.449 39.000 0.033 0.000 1.107 344 F HN 0.273 nan 8.300 nan 0.000 0.577 345 G N 1.397 110.285 108.800 0.148 0.000 2.246 345 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.273 345 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.273 345 G C -0.303 174.661 174.900 0.107 0.000 1.055 345 G CA 0.329 45.487 45.100 0.097 0.000 0.851 345 G HN 0.353 nan 8.290 nan 0.000 0.500 346 V N 0.061 120.046 119.914 0.119 0.000 2.448 346 V HA 0.703 4.823 4.120 -0.000 0.000 0.295 346 V C 0.871 177.011 176.094 0.077 0.000 1.025 346 V CA -1.248 61.108 62.300 0.092 0.000 0.859 346 V CB 0.987 32.862 31.823 0.087 0.000 0.988 346 V HN 0.468 nan 8.190 nan 0.000 0.431 347 R N 4.030 124.583 120.500 0.090 0.000 2.679 347 R HA 0.427 4.767 4.340 -0.000 0.000 0.268 347 R C -0.857 175.524 176.300 0.136 0.000 1.044 347 R CA -0.179 55.988 56.100 0.113 0.000 1.105 347 R CB 0.996 31.429 30.300 0.221 0.000 0.989 347 R HN 0.607 nan 8.270 nan 0.000 0.447 348 V N 4.445 124.404 119.914 0.074 0.000 2.409 348 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 348 V C -0.859 175.270 176.094 0.058 0.000 1.020 348 V CA -0.503 61.847 62.300 0.084 0.000 0.848 348 V CB 1.100 32.928 31.823 0.008 0.000 0.990 348 V HN 0.524 nan 8.190 nan 0.000 0.430 349 F N 5.844 125.759 119.950 -0.058 0.000 2.359 349 F HA 0.483 5.010 4.527 -0.000 0.000 0.370 349 F C -2.182 173.685 175.800 0.112 0.000 1.077 349 F CA -2.842 55.174 58.000 0.028 0.000 1.136 349 F CB 1.252 40.166 39.000 -0.142 0.000 1.387 349 F HN 0.327 nan 8.300 nan 0.000 0.468 350 P HA -0.106 nan 4.420 nan 0.000 0.264 350 P C -0.500 176.929 177.300 0.216 0.000 1.179 350 P CA 0.437 63.615 63.100 0.130 0.000 0.763 350 P CB 0.302 31.977 31.700 -0.041 0.000 0.806 351 H N 2.362 121.501 119.070 0.115 0.000 2.525 351 H HA 0.630 5.186 4.556 -0.000 0.000 0.339 351 H C -0.248 175.099 175.328 0.032 0.000 1.109 351 H CA -0.089 56.031 56.048 0.119 0.000 1.352 351 H CB 0.511 30.352 29.762 0.132 0.000 1.461 351 H HN 0.479 nan 8.280 nan 0.000 0.533 352 A N 2.702 125.142 122.820 -0.633 0.000 3.065 352 A HA 0.809 5.129 4.320 -0.000 0.000 0.293 352 A C 0.524 177.761 177.584 -0.579 0.000 1.213 352 A CA -0.253 51.485 52.037 -0.499 0.000 0.667 352 A CB 0.348 19.213 19.000 -0.225 0.000 1.412 352 A HN 1.557 nan 8.150 nan 0.000 0.601 353 G N -1.712 106.873 108.800 -0.359 0.000 2.488 353 G HA2 0.453 4.413 3.960 -0.000 0.000 0.237 353 G HA3 0.453 4.413 3.960 -0.000 0.000 0.237 353 G C 1.560 176.156 174.900 -0.506 0.000 1.209 353 G CA 0.961 45.891 45.100 -0.284 0.000 0.929 353 G HN 2.937 nan 8.290 nan 0.000 0.578 354 G N -1.798 106.594 108.800 -0.680 0.000 2.594 354 G HA2 0.081 4.041 3.960 -0.000 0.000 0.297 354 G HA3 0.081 4.041 3.960 -0.000 0.000 0.297 354 G C 0.399 174.861 174.900 -0.731 0.000 1.273 354 G CA 1.402 45.490 45.100 -1.686 0.000 0.974 354 G HN 2.043 nan 8.290 nan 0.000 0.552 355 V N 1.505 121.004 119.914 -0.693 0.000 2.318 355 V HA 0.560 4.680 4.120 -0.000 0.000 0.271 355 V C 1.440 177.527 176.094 -0.012 0.000 1.030 355 V CA 1.064 63.350 62.300 -0.023 0.000 0.844 355 V CB 0.096 32.130 31.823 0.352 0.000 1.015 355 V HN 2.630 nan 8.190 nan 0.000 0.460 356 G N 4.508 113.220 108.800 -0.147 0.000 2.187 356 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.261 356 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.261 356 G C 0.586 175.264 174.900 -0.369 0.000 1.000 356 G CA 0.441 45.187 45.100 -0.590 0.000 0.718 356 G HN 0.561 nan 8.290 nan 0.000 0.519 357 L N -0.185 120.854 121.223 -0.307 0.000 2.156 357 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 357 L C 2.987 179.744 176.870 -0.189 0.000 1.095 357 L CA 1.969 56.657 54.840 -0.253 0.000 0.770 357 L CB -1.016 40.839 42.059 -0.340 0.000 0.914 357 L HN 0.521 nan 8.230 nan 0.000 0.439 358 C N -0.926 118.293 119.300 -0.136 0.000 2.446 358 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 358 C C 2.577 177.541 174.990 -0.044 0.000 1.275 358 C CA 0.121 59.132 59.018 -0.011 0.000 1.727 358 C CB -0.625 27.256 27.740 0.235 0.000 2.010 358 C HN 0.467 nan 8.230 nan 0.000 0.486 359 E N 1.140 121.273 120.200 -0.111 0.000 2.085 359 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 359 E C 2.021 178.637 176.600 0.027 0.000 0.994 359 E CA 1.113 57.451 56.400 -0.103 0.000 0.801 359 E CB -0.314 29.165 29.700 -0.369 0.000 0.743 359 E HN 0.595 nan 8.360 nan 0.000 0.453 360 L N -0.764 120.408 121.223 -0.086 0.000 2.022 360 L HA -0.066 4.274 4.340 -0.000 0.000 0.204 360 L C 2.342 179.352 176.870 0.232 0.000 1.076 360 L CA 0.574 55.381 54.840 -0.054 0.000 0.749 360 L CB -0.672 41.154 42.059 -0.388 0.000 0.903 360 L HN 0.031 nan 8.230 nan 0.000 0.439 361 V N 0.899 120.830 119.914 0.028 0.000 2.568 361 V HA -0.318 3.802 4.120 -0.000 0.000 0.253 361 V C 2.650 178.669 176.094 -0.125 0.000 1.072 361 V CA 2.218 64.511 62.300 -0.011 0.000 1.084 361 V CB -0.545 31.229 31.823 -0.081 0.000 0.676 361 V HN 0.689 nan 8.190 nan 0.000 0.469 362 Q N -1.201 118.454 119.800 -0.242 0.000 2.181 362 Q HA -0.303 4.037 4.340 -0.000 0.000 0.205 362 Q C 1.870 177.653 176.000 -0.362 0.000 0.980 362 Q CA 2.519 58.020 55.803 -0.504 0.000 0.862 362 Q CB -0.656 27.722 28.738 -0.600 0.000 0.905 362 Q HN 0.755 nan 8.270 nan 0.000 0.429 363 H N 0.750 119.797 119.070 -0.039 0.000 2.389 363 H HA 0.020 4.576 4.556 -0.000 0.000 0.299 363 H C 1.986 177.312 175.328 -0.002 0.000 1.081 363 H CA 1.657 57.745 56.048 0.067 0.000 1.345 363 H CB 0.035 29.878 29.762 0.137 0.000 1.393 363 H HN 0.147 nan 8.280 nan 0.000 0.520 364 L N -0.309 120.955 121.223 0.069 0.000 2.056 364 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 364 L C 2.703 179.532 176.870 -0.069 0.000 1.078 364 L CA 0.956 55.784 54.840 -0.020 0.000 0.749 364 L CB -0.535 41.508 42.059 -0.027 0.000 0.901 364 L HN 0.341 nan 8.230 nan 0.000 0.433 365 A N -0.106 122.600 122.820 -0.190 0.000 1.898 365 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 365 A C 2.292 179.787 177.584 -0.150 0.000 1.181 365 A CA 1.505 53.376 52.037 -0.276 0.000 0.620 365 A CB -0.427 18.158 19.000 -0.691 0.000 0.819 365 A HN 0.329 nan 8.150 nan 0.000 0.442 366 M N -0.550 118.906 119.600 -0.241 0.000 2.229 366 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 366 M C 2.449 178.847 176.300 0.163 0.000 1.063 366 M CA 1.259 56.492 55.300 -0.111 0.000 1.114 366 M CB -0.319 31.956 32.600 -0.543 0.000 1.387 366 M HN 0.473 nan 8.290 nan 0.000 0.420 367 A N 0.296 123.232 122.820 0.193 0.000 1.897 367 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 367 A C 1.707 179.384 177.584 0.156 0.000 1.181 367 A CA 2.121 54.300 52.037 0.236 0.000 0.620 367 A CB -0.877 18.220 19.000 0.161 0.000 0.821 367 A HN 0.532 nan 8.150 nan 0.000 0.443 368 D N -1.270 119.199 120.400 0.115 0.000 2.123 368 D HA -0.227 4.413 4.640 -0.000 0.000 0.196 368 D C 1.661 178.041 176.300 0.133 0.000 0.992 368 D CA 1.692 55.748 54.000 0.093 0.000 0.833 368 D CB -0.260 40.585 40.800 0.075 0.000 0.954 368 D HN 0.425 nan 8.370 nan 0.000 0.455 369 F N 0.201 120.197 119.950 0.077 0.000 2.102 369 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 369 F C 2.020 177.845 175.800 0.041 0.000 1.105 369 F CA 1.198 59.229 58.000 0.052 0.000 1.239 369 F CB -0.235 38.806 39.000 0.069 0.000 0.991 369 F HN -0.085 nan 8.300 nan 0.000 0.474 370 V N 0.034 119.995 119.914 0.079 0.000 2.453 370 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 370 V C 2.247 178.310 176.094 -0.053 0.000 1.048 370 V CA 1.796 64.093 62.300 -0.006 0.000 1.049 370 V CB -0.956 31.024 31.823 0.261 0.000 0.672 370 V HN 0.489 nan 8.190 nan 0.000 0.457 371 A N -2.159 120.661 122.820 -0.000 0.000 2.431 371 A HA 0.435 4.755 4.320 -0.000 0.000 0.239 371 A C 1.735 179.304 177.584 -0.026 0.000 1.230 371 A CA 0.121 52.150 52.037 -0.013 0.000 0.928 371 A CB 0.291 19.301 19.000 0.016 0.000 1.006 371 A HN 0.435 nan 8.150 nan 0.000 0.520 372 I N -1.486 119.065 120.570 -0.031 0.000 3.623 372 I HA 0.007 4.177 4.170 -0.000 0.000 0.253 372 I C 2.392 178.484 176.117 -0.040 0.000 1.144 372 I CA 1.349 62.636 61.300 -0.022 0.000 1.461 372 I CB 0.216 38.217 38.000 0.001 0.000 1.575 372 I HN 0.310 nan 8.210 nan 0.000 0.445 373 T N -2.145 112.381 114.554 -0.047 0.000 3.042 373 T HA 0.234 4.584 4.350 -0.000 0.000 0.245 373 T C 1.620 176.246 174.700 -0.124 0.000 1.029 373 T CA 0.712 62.782 62.100 -0.050 0.000 1.120 373 T CB 0.405 69.275 68.868 0.003 0.000 0.917 373 T HN 0.478 nan 8.240 nan 0.000 0.467 374 G N 1.926 110.560 108.800 -0.277 0.000 2.198 374 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 374 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 374 G C -0.211 174.557 174.900 -0.220 0.000 1.025 374 G CA 0.295 45.069 45.100 -0.543 0.000 0.769 374 G HN 0.714 nan 8.290 nan 0.000 0.507 375 K N -0.590 119.840 120.400 0.050 0.000 2.507 375 K HA 0.649 4.969 4.320 -0.000 0.000 0.252 375 K C 0.846 177.557 176.600 0.186 0.000 0.943 375 K CA -0.295 56.080 56.287 0.147 0.000 0.808 375 K CB 1.465 33.989 32.500 0.040 0.000 1.142 375 K HN 0.341 nan 8.250 nan 0.000 0.426 376 M N -0.659 118.940 119.600 -0.002 0.000 1.999 376 M HA 0.231 4.711 4.480 -0.000 0.000 0.312 376 M C 0.339 176.370 176.300 -0.450 0.000 0.982 376 M CA -0.052 54.956 55.300 -0.486 0.000 1.125 376 M CB 0.563 32.411 32.600 -1.253 0.000 2.053 376 M HN 0.166 nan 8.290 nan 0.000 0.703 377 E N 2.450 122.496 120.200 -0.256 0.000 2.478 377 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 377 E C 0.641 177.181 176.600 -0.100 0.000 1.046 377 E CA 1.200 57.496 56.400 -0.174 0.000 0.870 377 E CB -0.185 29.453 29.700 -0.104 0.000 0.818 377 E HN 0.785 nan 8.360 nan 0.000 0.527 378 D N 0.362 120.702 120.400 -0.101 0.000 2.369 378 D HA -0.031 4.609 4.640 -0.000 0.000 0.211 378 D C 0.879 177.116 176.300 -0.104 0.000 1.077 378 D CA -0.021 53.957 54.000 -0.037 0.000 0.842 378 D CB 0.378 41.175 40.800 -0.005 0.000 0.947 378 D HN 0.054 nan 8.370 nan 0.000 0.509 379 R N -0.551 119.766 120.500 -0.306 0.000 2.929 379 R HA 0.843 5.183 4.340 -0.000 0.000 0.259 379 R C -1.367 174.630 176.300 -0.505 0.000 1.141 379 R CA -0.986 54.595 56.100 -0.865 0.000 0.991 379 R CB 0.868 30.614 30.300 -0.923 0.000 1.287 379 R HN -0.033 nan 8.270 nan 0.000 0.450 380 A N 0.123 122.604 122.820 -0.566 0.000 2.601 380 A HA 0.621 4.941 4.320 -0.000 0.000 0.291 380 A C -1.453 176.309 177.584 0.298 0.000 1.075 380 A CA -0.876 51.260 52.037 0.165 0.000 0.671 380 A CB 1.327 20.609 19.000 0.471 0.000 1.277 380 A HN 0.554 nan 8.150 nan 0.000 0.417 381 I N 1.285 122.028 120.570 0.289 0.000 2.354 381 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 381 I C 0.525 176.688 176.117 0.077 0.000 0.989 381 I CA -0.357 60.987 61.300 0.075 0.000 1.188 381 I CB 1.713 39.502 38.000 -0.351 0.000 1.342 381 I HN 0.864 nan 8.210 nan 0.000 0.457 382 E N 5.704 125.777 120.200 -0.211 0.000 2.415 382 E HA 0.110 4.460 4.350 -0.000 0.000 0.262 382 E C -1.542 174.973 176.600 -0.141 0.000 1.038 382 E CA 0.091 56.013 56.400 -0.797 0.000 0.921 382 E CB 0.818 30.201 29.700 -0.528 0.000 0.950 382 E HN 0.448 nan 8.360 nan 0.000 0.438 383 F N 4.130 123.891 119.950 -0.314 0.000 2.574 383 F HA 0.450 4.977 4.527 -0.000 0.000 0.313 383 F C -1.857 173.840 175.800 -0.172 0.000 1.130 383 F CA -0.674 57.266 58.000 -0.100 0.000 0.936 383 F CB 1.410 40.383 39.000 -0.045 0.000 1.219 383 F HN 0.179 nan 8.300 nan 0.000 0.445 384 V N 4.440 123.705 119.914 -1.082 0.000 2.638 384 V HA 0.264 4.384 4.120 -0.000 0.000 0.306 384 V C -0.898 174.461 176.094 -1.225 0.000 1.052 384 V CA -0.793 60.962 62.300 -0.908 0.000 0.885 384 V CB 1.727 33.344 31.823 -0.343 0.000 0.999 384 V HN 0.683 nan 8.190 nan 0.000 0.424 385 D N 3.486 123.278 120.400 -1.014 0.000 2.713 385 D HA 0.201 4.841 4.640 -0.000 0.000 0.229 385 D C -0.353 175.759 176.300 -0.313 0.000 1.136 385 D CA 0.108 53.847 54.000 -0.434 0.000 1.010 385 D CB -0.346 40.452 40.800 -0.003 0.000 1.084 385 D HN 0.570 nan 8.370 nan 0.000 0.495 386 H N 1.121 119.981 119.070 -0.351 0.000 2.851 386 H HA 0.219 4.775 4.556 -0.000 0.000 0.372 386 H C 0.994 175.984 175.328 -0.564 0.000 1.158 386 H CA -0.997 54.831 56.048 -0.367 0.000 1.159 386 H CB 1.573 31.147 29.762 -0.313 0.000 1.757 386 H HN -0.081 nan 8.280 nan 0.000 0.546 387 L N 0.838 121.934 121.223 -0.213 0.000 4.491 387 L HA -0.288 4.052 4.340 -0.000 0.000 0.433 387 L C 1.515 178.413 176.870 0.046 0.000 1.135 387 L CA 0.953 55.691 54.840 -0.170 0.000 0.971 387 L CB -2.012 39.785 42.059 -0.437 0.000 1.949 387 L HN 0.759 nan 8.230 nan 0.000 0.953 388 H N 0.361 119.534 119.070 0.172 0.000 2.489 388 H HA -0.065 4.491 4.556 -0.000 0.000 0.293 388 H C 2.029 177.504 175.328 0.246 0.000 1.066 388 H CA 1.463 57.658 56.048 0.246 0.000 1.305 388 H CB 0.100 29.952 29.762 0.150 0.000 1.386 388 H HN 0.754 nan 8.280 nan 0.000 0.551 389 Q N 1.027 120.929 119.800 0.169 0.000 2.437 389 Q HA -0.136 4.204 4.340 -0.000 0.000 0.210 389 Q C 0.636 176.617 176.000 -0.032 0.000 0.972 389 Q CA 1.204 57.014 55.803 0.013 0.000 0.903 389 Q CB -0.609 28.030 28.738 -0.165 0.000 0.967 389 Q HN 0.573 nan 8.270 nan 0.000 0.486 390 H N -0.824 118.290 119.070 0.074 0.000 2.539 390 H HA 0.288 4.844 4.556 -0.000 0.000 0.267 390 H C -0.587 174.544 175.328 -0.329 0.000 0.982 390 H CA -0.081 55.927 56.048 -0.067 0.000 1.146 390 H CB -0.010 29.563 29.762 -0.314 0.000 1.382 390 H HN 0.085 nan 8.280 nan 0.000 0.577 391 F N -0.561 119.458 119.950 0.115 0.000 2.480 391 F HA 0.187 4.714 4.527 -0.000 0.000 0.329 391 F C 0.613 176.291 175.800 -0.202 0.000 1.091 391 F CA -0.997 56.971 58.000 -0.053 0.000 0.972 391 F CB 1.415 40.441 39.000 0.044 0.000 1.150 391 F HN -0.146 nan 8.300 nan 0.000 0.467 392 L N 0.828 121.934 121.223 -0.195 0.000 2.141 392 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 392 L C 0.732 177.623 176.870 0.034 0.000 1.094 392 L CA 1.593 56.310 54.840 -0.205 0.000 0.763 392 L CB -0.427 41.510 42.059 -0.202 0.000 0.908 392 L HN 0.530 nan 8.230 nan 0.000 0.437 393 D N 0.059 120.526 120.400 0.112 0.000 2.607 393 D HA 0.172 4.812 4.640 -0.000 0.000 0.318 393 D C -2.383 174.001 176.300 0.141 0.000 1.212 393 D CA -2.129 51.947 54.000 0.127 0.000 0.861 393 D CB 0.651 41.534 40.800 0.137 0.000 1.064 393 D HN -0.008 nan 8.370 nan 0.000 0.500 394 P HA -0.005 nan 4.420 nan 0.000 0.269 394 P C 0.309 177.629 177.300 0.034 0.000 1.217 394 P CA -0.445 62.736 63.100 0.135 0.000 0.783 394 P CB 0.885 32.696 31.700 0.184 0.000 0.898 395 V N 0.221 120.102 119.914 -0.055 0.000 2.924 395 V HA 0.307 4.427 4.120 -0.000 0.000 0.305 395 V C 0.357 176.369 176.094 -0.137 0.000 1.073 395 V CA -0.332 61.936 62.300 -0.053 0.000 1.098 395 V CB -0.225 31.615 31.823 0.029 0.000 1.000 395 V HN 0.411 nan 8.190 nan 0.000 0.484 396 R N 4.171 124.593 120.500 -0.130 0.000 2.360 396 R HA 0.647 4.987 4.340 -0.000 0.000 0.318 396 R C -1.173 174.933 176.300 -0.325 0.000 0.950 396 R CA -0.687 55.303 56.100 -0.183 0.000 0.837 396 R CB 1.639 31.883 30.300 -0.094 0.000 1.165 396 R HN 0.641 nan 8.270 nan 0.000 0.458 397 I N 2.912 123.213 120.570 -0.448 0.000 2.354 397 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 397 I C -0.136 175.750 176.117 -0.384 0.000 0.989 397 I CA -0.368 60.580 61.300 -0.587 0.000 1.188 397 I CB 1.607 39.043 38.000 -0.939 0.000 1.342 397 I HN 0.604 nan 8.210 nan 0.000 0.457 398 Q N 6.313 125.922 119.800 -0.319 0.000 2.363 398 Q HA 0.199 4.539 4.340 -0.000 0.000 0.265 398 Q C -0.184 175.708 176.000 -0.181 0.000 1.032 398 Q CA -0.437 55.245 55.803 -0.201 0.000 0.746 398 Q CB 0.587 29.244 28.738 -0.134 0.000 1.237 398 Q HN 0.671 nan 8.270 nan 0.000 0.475 399 H N 3.001 121.881 119.070 -0.317 0.000 2.591 399 H HA -0.241 4.315 4.556 -0.000 0.000 0.325 399 H C 0.522 175.568 175.328 -0.471 0.000 1.096 399 H CA 1.249 57.099 56.048 -0.330 0.000 1.108 399 H CB -0.747 28.891 29.762 -0.206 0.000 1.590 399 H HN 1.172 nan 8.280 nan 0.000 0.399 400 G N 1.543 109.773 108.800 -0.950 0.000 2.153 400 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.252 400 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.252 400 G C 0.096 174.629 174.900 -0.613 0.000 0.994 400 G CA 0.687 45.051 45.100 -1.227 0.000 0.698 400 G HN 0.699 nan 8.290 nan 0.000 0.521 401 R N -1.531 118.692 120.500 -0.462 0.000 2.651 401 R HA 0.496 4.836 4.340 -0.000 0.000 0.278 401 R C -1.032 175.120 176.300 -0.246 0.000 1.010 401 R CA -0.950 55.013 56.100 -0.228 0.000 0.896 401 R CB 1.304 31.515 30.300 -0.148 0.000 1.211 401 R HN 0.122 nan 8.270 nan 0.000 0.456 402 Y N 1.988 122.181 120.300 -0.178 0.000 2.335 402 Y HA 0.206 4.756 4.550 -0.000 0.000 0.331 402 Y C 0.490 176.280 175.900 -0.184 0.000 1.094 402 Y CA -0.050 57.932 58.100 -0.196 0.000 1.253 402 Y CB 0.776 39.120 38.460 -0.193 0.000 1.203 402 Y HN 0.217 nan 8.280 nan 0.000 0.508 403 L N 3.659 124.858 121.223 -0.039 0.000 2.350 403 L HA 0.492 4.832 4.340 -0.000 0.000 0.275 403 L C 0.314 177.145 176.870 -0.066 0.000 1.099 403 L CA -1.042 53.762 54.840 -0.060 0.000 0.808 403 L CB 0.930 42.953 42.059 -0.060 0.000 1.149 403 L HN 0.679 nan 8.230 nan 0.000 0.442 404 A N 4.561 127.315 122.820 -0.109 0.000 2.492 404 A HA 0.399 4.719 4.320 -0.000 0.000 0.254 404 A C -2.214 175.422 177.584 0.085 0.000 1.091 404 A CA -1.003 50.932 52.037 -0.170 0.000 0.768 404 A CB -0.572 18.272 19.000 -0.260 0.000 1.028 404 A HN 0.426 nan 8.150 nan 0.000 0.498 405 P HA 0.081 nan 4.420 nan 0.000 0.267 405 P C 0.236 177.764 177.300 0.379 0.000 1.200 405 P CA 0.298 63.547 63.100 0.249 0.000 0.772 405 P CB 0.581 32.428 31.700 0.244 0.000 0.855 406 E N 0.017 120.362 120.200 0.242 0.000 2.421 406 E HA 0.081 4.431 4.350 -0.000 0.000 0.209 406 E C -0.013 176.670 176.600 0.138 0.000 0.871 406 E CA -0.016 56.496 56.400 0.187 0.000 1.064 406 E CB 0.300 30.081 29.700 0.135 0.000 1.075 406 E HN 0.133 nan 8.360 nan 0.000 0.513 407 V N 4.245 124.248 119.914 0.148 0.000 2.637 407 V HA 0.073 4.193 4.120 -0.000 0.000 0.296 407 V C -2.212 173.954 176.094 0.120 0.000 1.046 407 V CA -1.365 61.006 62.300 0.119 0.000 1.066 407 V CB 0.471 32.366 31.823 0.120 0.000 0.968 407 V HN 0.004 nan 8.190 nan 0.000 0.483 408 P HA 0.395 nan 4.420 nan 0.000 0.265 408 P C 0.303 177.636 177.300 0.056 0.000 1.193 408 P CA 1.158 64.282 63.100 0.040 0.000 0.765 408 P CB 0.395 32.104 31.700 0.016 0.000 0.823 409 G N 1.741 110.551 108.800 0.016 0.000 2.408 409 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.682 409 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.682 409 G C -0.386 174.493 174.900 -0.035 0.000 1.303 409 G CA -0.756 44.362 45.100 0.029 0.000 0.966 409 G HN 0.449 nan 8.290 nan 0.000 0.560 410 F N 0.854 120.706 119.950 -0.163 0.000 2.765 410 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 410 F C 1.771 177.518 175.800 -0.088 0.000 1.111 410 F CA 0.562 58.373 58.000 -0.315 0.000 1.359 410 F CB 0.125 39.063 39.000 -0.103 0.000 1.097 410 F HN 0.779 nan 8.300 nan 0.000 0.577 411 S N -0.235 115.615 115.700 0.250 0.000 3.490 411 S HA -0.288 4.182 4.470 -0.000 0.000 0.301 411 S C 0.912 175.608 174.600 0.161 0.000 1.233 411 S CA 0.480 58.821 58.200 0.234 0.000 0.914 411 S CB -1.861 61.537 63.200 0.330 0.000 1.047 411 S HN 0.584 nan 8.310 nan 0.000 0.602 412 A N 0.297 123.222 122.820 0.174 0.000 2.238 412 A HA 0.267 4.587 4.320 -0.000 0.000 0.210 412 A C 0.634 178.455 177.584 0.395 0.000 1.179 412 A CA 0.209 52.398 52.037 0.253 0.000 0.827 412 A CB 0.039 19.122 19.000 0.139 0.000 0.856 412 A HN 0.640 nan 8.150 nan 0.000 0.488 413 E N 0.640 120.912 120.200 0.120 0.000 2.417 413 E HA 0.261 4.611 4.350 -0.000 0.000 0.261 413 E C -0.460 176.085 176.600 -0.092 0.000 1.000 413 E CA 0.117 56.361 56.400 -0.260 0.000 0.919 413 E CB 0.255 29.576 29.700 -0.631 0.000 0.955 413 E HN 0.452 nan 8.360 nan 0.000 0.455 414 M N 2.947 122.444 119.600 -0.172 0.000 2.598 414 M HA 0.257 4.737 4.480 -0.000 0.000 0.317 414 M C -0.154 175.960 176.300 -0.311 0.000 1.201 414 M CA -0.902 54.142 55.300 -0.426 0.000 0.971 414 M CB 1.441 33.616 32.600 -0.709 0.000 1.657 414 M HN 0.450 nan 8.290 nan 0.000 0.470 415 H N 1.357 120.331 119.070 -0.160 0.000 2.964 415 H HA 0.053 4.609 4.556 -0.000 0.000 0.328 415 H C -1.772 173.516 175.328 -0.068 0.000 1.030 415 H CA -0.790 55.214 56.048 -0.073 0.000 1.445 415 H CB 0.380 30.120 29.762 -0.037 0.000 1.449 415 H HN 0.349 nan 8.280 nan 0.000 0.581 416 P HA -0.110 nan 4.420 nan 0.000 0.220 416 P C 1.207 178.537 177.300 0.050 0.000 1.148 416 P CA 1.502 64.629 63.100 0.045 0.000 0.803 416 P CB 0.271 32.009 31.700 0.064 0.000 0.782 417 A N -0.852 122.014 122.820 0.078 0.000 1.969 417 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 417 A C 2.280 179.925 177.584 0.100 0.000 1.169 417 A CA 1.813 53.883 52.037 0.056 0.000 0.635 417 A CB -1.318 17.693 19.000 0.018 0.000 0.810 417 A HN 0.113 nan 8.150 nan 0.000 0.445 418 S N -0.146 115.662 115.700 0.181 0.000 2.383 418 S HA -0.047 4.423 4.470 -0.000 0.000 0.227 418 S C 1.739 176.481 174.600 0.237 0.000 1.026 418 S CA 1.316 59.733 58.200 0.360 0.000 0.981 418 S CB -0.406 63.074 63.200 0.467 0.000 0.818 418 S HN 0.574 nan 8.310 nan 0.000 0.472 419 I N 1.586 122.188 120.570 0.054 0.000 2.353 419 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 419 I C 2.587 178.722 176.117 0.031 0.000 1.119 419 I CA 0.971 62.254 61.300 -0.027 0.000 1.417 419 I CB -0.396 37.495 38.000 -0.183 0.000 1.078 419 I HN 0.250 nan 8.210 nan 0.000 0.421 420 A N 0.234 123.071 122.820 0.028 0.000 2.014 420 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 420 A C 2.187 179.764 177.584 -0.012 0.000 1.163 420 A CA 1.605 53.656 52.037 0.024 0.000 0.652 420 A CB -0.307 18.703 19.000 0.017 0.000 0.808 420 A HN 0.368 nan 8.150 nan 0.000 0.449 421 E N -0.873 119.291 120.200 -0.060 0.000 2.086 421 E HA 0.045 4.395 4.350 -0.000 0.000 0.190 421 E C 0.781 177.117 176.600 -0.440 0.000 0.975 421 E CA 1.045 57.267 56.400 -0.296 0.000 0.813 421 E CB -0.220 29.213 29.700 -0.444 0.000 0.768 421 E HN 0.566 nan 8.360 nan 0.000 0.457 422 F N 0.047 120.029 119.950 0.054 0.000 2.653 422 F HA 0.354 4.881 4.527 -0.000 0.000 0.304 422 F C 0.741 176.697 175.800 0.259 0.000 1.092 422 F CA -0.351 57.703 58.000 0.090 0.000 1.279 422 F CB 0.538 39.354 39.000 -0.306 0.000 1.044 422 F HN -0.179 nan 8.300 nan 0.000 0.564 423 S N 0.632 116.510 115.700 0.296 0.000 2.549 423 S HA 0.041 4.511 4.470 -0.000 0.000 0.286 423 S C -0.742 174.043 174.600 0.310 0.000 1.314 423 S CA -0.142 58.201 58.200 0.239 0.000 1.062 423 S CB 0.115 63.427 63.200 0.186 0.000 0.865 423 S HN 0.312 nan 8.310 nan 0.000 0.498 424 Y N 6.776 127.074 120.300 -0.003 0.000 2.360 424 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 424 Y C -1.744 174.101 175.900 -0.092 0.000 1.039 424 Y CA -2.000 55.981 58.100 -0.198 0.000 1.109 424 Y CB 1.964 40.087 38.460 -0.562 0.000 1.201 424 Y HN 0.535 nan 8.280 nan 0.000 0.458 425 P HA 0.110 nan 4.420 nan 0.000 0.272 425 P C -0.486 176.665 177.300 -0.248 0.000 1.408 425 P CA 0.211 62.781 63.100 -0.883 0.000 0.996 425 P CB 0.449 31.472 31.700 -1.128 0.000 1.481 426 D N -0.865 119.486 120.400 -0.082 0.000 2.350 426 D HA 0.081 4.721 4.640 -0.000 0.000 0.213 426 D C 1.146 177.479 176.300 0.055 0.000 1.031 426 D CA -0.103 53.893 54.000 -0.007 0.000 0.861 426 D CB -0.726 40.074 40.800 0.000 0.000 0.926 426 D HN -0.012 nan 8.370 nan 0.000 0.520 427 G N 0.495 109.379 108.800 0.140 0.000 2.594 427 G HA2 0.057 4.017 3.960 -0.000 0.000 0.243 427 G HA3 0.057 4.017 3.960 -0.000 0.000 0.243 427 G C 0.892 175.829 174.900 0.060 0.000 1.229 427 G CA -0.638 44.542 45.100 0.133 0.000 0.843 427 G HN -0.020 nan 8.290 nan 0.000 0.578 428 R N 0.424 120.906 120.500 -0.031 0.000 2.096 428 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 428 R C 2.150 178.362 176.300 -0.146 0.000 1.139 428 R CA 1.872 57.920 56.100 -0.087 0.000 0.952 428 R CB -0.463 29.771 30.300 -0.111 0.000 0.854 428 R HN 0.596 nan 8.270 nan 0.000 0.436 429 F N 0.096 119.814 119.950 -0.387 0.000 2.134 429 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 429 F C 1.593 177.123 175.800 -0.450 0.000 1.097 429 F CA 1.416 59.100 58.000 -0.525 0.000 1.264 429 F CB -0.239 38.229 39.000 -0.887 0.000 1.001 429 F HN 0.018 nan 8.300 nan 0.000 0.479 430 W N -0.684 120.643 121.300 0.046 0.000 2.518 430 W HA 0.017 4.677 4.660 -0.000 0.000 0.273 430 W C 2.210 178.637 176.519 -0.154 0.000 1.247 430 W CA 0.826 58.162 57.345 -0.014 0.000 1.288 430 W CB -0.611 28.903 29.460 0.090 0.000 1.107 430 W HN -0.241 nan 8.180 nan 0.000 0.586 431 V N 0.222 120.147 119.914 0.018 0.000 2.488 431 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 431 V C 2.113 178.146 176.094 -0.101 0.000 1.046 431 V CA 2.117 64.394 62.300 -0.038 0.000 1.053 431 V CB -0.601 31.198 31.823 -0.040 0.000 0.679 431 V HN 0.212 nan 8.190 nan 0.000 0.458 432 E N 0.429 120.517 120.200 -0.186 0.000 2.047 432 E HA -0.287 4.063 4.350 -0.000 0.000 0.191 432 E C 1.935 178.376 176.600 -0.264 0.000 0.987 432 E CA 1.787 58.050 56.400 -0.228 0.000 0.799 432 E CB -0.083 29.439 29.700 -0.295 0.000 0.752 432 E HN 0.687 nan 8.360 nan 0.000 0.449 433 D N 0.260 120.411 120.400 -0.414 0.000 2.078 433 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 433 D C 1.570 177.809 176.300 -0.101 0.000 0.990 433 D CA 1.058 54.848 54.000 -0.350 0.000 0.827 433 D CB -0.121 40.344 40.800 -0.558 0.000 0.975 433 D HN 0.176 nan 8.370 nan 0.000 0.451 434 L N 0.089 121.311 121.223 -0.003 0.000 2.869 434 L HA 0.136 4.476 4.340 -0.000 0.000 0.259 434 L C 0.921 177.786 176.870 -0.008 0.000 1.162 434 L CA 0.195 55.061 54.840 0.042 0.000 0.975 434 L CB -0.423 41.679 42.059 0.072 0.000 1.217 434 L HN 0.146 nan 8.230 nan 0.000 0.418 435 A N -0.858 121.938 122.820 -0.041 0.000 2.609 435 A HA 0.698 5.018 4.320 -0.000 0.000 0.286 435 A C 0.579 178.138 177.584 -0.042 0.000 1.138 435 A CA 0.274 52.285 52.037 -0.043 0.000 0.960 435 A CB 0.309 19.273 19.000 -0.061 0.000 1.208 435 A HN 0.291 nan 8.150 nan 0.000 0.541 436 A N 0.000 122.799 122.820 -0.034 0.000 2.254 436 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 436 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 436 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 436 A HN 0.000 nan 8.150 nan 0.000 0.486