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_A DATA FIRST_RESID 1 DATA SEQUENCE MRTIIALETH DVRFPTSREX XXXXXXXPDP 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 VEDL 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 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 R N 2.024 122.513 120.500 -0.019 0.000 2.590 2 R HA 0.622 4.962 4.340 0.000 0.000 0.274 2 R C 0.107 176.391 176.300 -0.026 0.000 1.061 2 R CA 0.556 56.643 56.100 -0.023 0.000 1.081 2 R CB 0.771 31.054 30.300 -0.029 0.000 0.984 2 R HN 0.656 nan 8.270 nan 0.000 0.448 3 T N -1.446 113.094 114.554 -0.024 0.000 2.883 3 T HA 0.530 4.880 4.350 0.000 0.000 0.296 3 T C 0.050 174.735 174.700 -0.026 0.000 1.117 3 T CA -0.958 61.129 62.100 -0.023 0.000 1.006 3 T CB 1.001 69.862 68.868 -0.011 0.000 1.191 3 T HN 0.323 nan 8.240 nan 0.000 0.508 4 I N 2.507 123.063 120.570 -0.023 0.000 2.452 4 I HA 0.212 4.382 4.170 0.000 0.000 0.287 4 I C 1.474 177.585 176.117 -0.009 0.000 1.079 4 I CA -0.531 60.754 61.300 -0.024 0.000 1.387 4 I CB 0.800 38.793 38.000 -0.012 0.000 1.404 4 I HN 0.678 nan 8.210 nan 0.000 0.522 5 I N 3.363 123.925 120.570 -0.014 0.000 3.783 5 I HA 0.535 4.705 4.170 0.000 0.000 0.310 5 I C 0.693 176.807 176.117 -0.005 0.000 1.274 5 I CA 0.060 61.356 61.300 -0.007 0.000 1.294 5 I CB 0.263 38.259 38.000 -0.007 0.000 1.051 5 I HN 0.530 nan 8.210 nan 0.000 0.435 6 A N 1.495 124.309 122.820 -0.011 0.000 2.594 6 A HA 0.640 4.960 4.320 0.000 0.000 0.296 6 A C -1.832 175.739 177.584 -0.022 0.000 1.056 6 A CA -0.509 51.522 52.037 -0.011 0.000 0.693 6 A CB 1.310 20.304 19.000 -0.010 0.000 1.278 6 A HN 0.221 nan 8.150 nan 0.000 0.408 7 L N 2.157 123.370 121.223 -0.017 0.000 2.387 7 L HA 0.499 4.839 4.340 0.000 0.000 0.259 7 L C 0.243 177.084 176.870 -0.048 0.000 1.050 7 L CA -0.031 54.794 54.840 -0.026 0.000 0.922 7 L CB 0.598 42.659 42.059 0.005 0.000 1.280 7 L HN 0.728 nan 8.230 nan 0.000 0.449 8 E N 1.677 121.836 120.200 -0.070 0.000 2.301 8 E HA 0.532 4.882 4.350 0.000 0.000 0.275 8 E C -0.823 175.667 176.600 -0.184 0.000 1.030 8 E CA -0.618 55.706 56.400 -0.127 0.000 0.852 8 E CB 0.922 30.558 29.700 -0.107 0.000 1.060 8 E HN 0.513 nan 8.360 nan 0.000 0.401 9 T N 0.692 115.092 114.554 -0.257 0.000 2.829 9 T HA 0.450 4.800 4.350 0.000 0.000 0.280 9 T C -0.910 173.602 174.700 -0.312 0.000 0.999 9 T CA -0.932 61.063 62.100 -0.177 0.000 0.983 9 T CB 0.897 69.722 68.868 -0.071 0.000 0.968 9 T HN 0.554 nan 8.240 nan 0.000 0.446 10 H N 0.706 119.871 119.070 0.158 0.000 2.609 10 H HA 0.458 5.014 4.556 -0.000 0.000 0.344 10 H C -0.972 174.437 175.328 0.135 0.000 1.040 10 H CA -0.723 55.429 56.048 0.175 0.000 1.216 10 H CB 1.476 31.408 29.762 0.283 0.000 1.529 10 H HN 0.615 nan 8.280 nan 0.000 0.519 11 D N 3.954 124.465 120.400 0.185 0.000 2.422 11 D HA 0.127 4.767 4.640 0.000 0.000 0.227 11 D C -0.748 175.604 176.300 0.085 0.000 1.190 11 D CA -0.187 53.879 54.000 0.110 0.000 0.905 11 D CB 0.326 41.181 40.800 0.092 0.000 1.034 11 D HN 0.201 nan 8.370 nan 0.000 0.507 12 V N 5.569 125.498 119.914 0.026 0.000 2.370 12 V HA 0.494 4.614 4.120 0.000 0.000 0.283 12 V C 0.392 176.335 176.094 -0.252 0.000 1.023 12 V CA -0.719 61.513 62.300 -0.114 0.000 0.857 12 V CB 1.401 33.098 31.823 -0.210 0.000 0.985 12 V HN 0.347 nan 8.190 nan 0.000 0.443 13 R N 4.073 124.419 120.500 -0.257 0.000 2.575 13 R HA 0.611 4.951 4.340 0.000 0.000 0.293 13 R C -1.709 174.565 176.300 -0.043 0.000 0.983 13 R CA -0.538 55.434 56.100 -0.214 0.000 0.887 13 R CB 2.210 32.293 30.300 -0.363 0.000 1.184 13 R HN 0.502 nan 8.270 nan 0.000 0.445 14 F N 3.405 123.436 119.950 0.134 0.000 2.415 14 F HA 0.321 4.848 4.527 -0.000 0.000 0.348 14 F C -1.326 174.507 175.800 0.055 0.000 1.119 14 F CA -2.696 55.231 58.000 -0.121 0.000 1.069 14 F CB 1.385 40.172 39.000 -0.354 0.000 1.124 14 F HN 0.330 nan 8.300 nan 0.000 0.472 15 P HA -0.033 nan 4.420 nan 0.000 0.277 15 P C 0.946 178.287 177.300 0.068 0.000 1.617 15 P CA 0.370 63.555 63.100 0.142 0.000 0.829 15 P CB -0.819 30.837 31.700 -0.074 0.000 1.774 16 T N -4.634 109.948 114.554 0.047 0.000 3.052 16 T HA -0.125 4.225 4.350 0.000 0.000 0.270 16 T C 1.780 176.464 174.700 -0.027 0.000 1.147 16 T CA 1.080 63.145 62.100 -0.057 0.000 1.089 16 T CB -0.732 67.995 68.868 -0.235 0.000 0.875 16 T HN 0.100 nan 8.240 nan 0.000 0.541 17 S N 0.785 116.511 115.700 0.043 0.000 2.489 17 S HA 0.096 4.566 4.470 0.000 0.000 0.228 17 S C 1.951 176.593 174.600 0.069 0.000 0.995 17 S CA -0.025 58.211 58.200 0.060 0.000 0.934 17 S CB -0.237 63.017 63.200 0.091 0.000 0.771 17 S HN 0.616 nan 8.310 nan 0.000 0.522 18 R N 0.233 120.776 120.500 0.071 0.000 2.317 18 R HA 0.263 4.603 4.340 0.000 0.000 0.208 18 R C 0.127 176.454 176.300 0.044 0.000 0.914 18 R CA 0.251 56.392 56.100 0.069 0.000 1.060 18 R CB 0.262 30.617 30.300 0.093 0.000 1.015 18 R HN 0.307 nan 8.270 nan 0.000 0.498 29 D N 0.331 120.741 120.400 0.016 0.000 2.736 29 D HA 0.299 4.939 4.640 0.000 0.000 0.293 29 D C -2.469 173.863 176.300 0.052 0.000 1.241 29 D CA -1.177 52.845 54.000 0.037 0.000 0.965 29 D CB -0.013 40.814 40.800 0.045 0.000 0.992 29 D HN -0.000 nan 8.370 nan 0.000 0.510 30 P HA 0.173 nan 4.420 nan 0.000 0.271 30 P C -0.749 176.647 177.300 0.160 0.000 1.220 30 P CA -0.024 63.164 63.100 0.147 0.000 0.768 30 P CB 0.610 32.481 31.700 0.285 0.000 0.848 31 D N 2.413 122.915 120.400 0.170 0.000 2.485 31 D HA 0.131 4.771 4.640 0.000 0.000 0.221 31 D C -0.135 176.356 176.300 0.318 0.000 1.112 31 D CA -0.260 53.852 54.000 0.185 0.000 0.911 31 D CB -0.275 40.611 40.800 0.143 0.000 1.019 31 D HN 0.355 nan 8.370 nan 0.000 0.516 32 Y N 1.327 121.749 120.300 0.203 0.000 2.895 32 Y HA -0.018 4.532 4.550 0.000 0.000 0.334 32 Y C 0.958 177.025 175.900 0.278 0.000 1.261 32 Y CA -0.026 58.279 58.100 0.341 0.000 1.560 32 Y CB 0.390 39.104 38.460 0.423 0.000 1.253 32 Y HN 0.242 nan 8.280 nan 0.000 0.582 33 S N 1.066 116.965 115.700 0.333 0.000 2.685 33 S HA 0.877 5.347 4.470 0.000 0.000 0.282 33 S C -1.149 173.562 174.600 0.184 0.000 1.159 33 S CA -0.840 57.438 58.200 0.131 0.000 0.833 33 S CB 2.114 65.294 63.200 -0.033 0.000 1.151 33 S HN 0.748 nan 8.310 nan 0.000 0.485 34 A N 0.462 123.346 122.820 0.107 0.000 2.517 34 A HA 0.801 5.121 4.320 0.000 0.000 0.297 34 A C -0.974 176.698 177.584 0.148 0.000 1.050 34 A CA -0.514 51.630 52.037 0.178 0.000 0.694 34 A CB 1.135 20.294 19.000 0.265 0.000 1.277 34 A HN 1.229 nan 8.150 nan 0.000 0.400 35 A N 1.696 124.605 122.820 0.148 0.000 2.391 35 A HA 0.532 4.852 4.320 0.000 0.000 0.316 35 A C -0.711 177.015 177.584 0.236 0.000 1.381 35 A CA -0.187 51.937 52.037 0.145 0.000 0.998 35 A CB -0.485 18.561 19.000 0.078 0.000 1.147 35 A HN 1.086 nan 8.150 nan 0.000 0.545 36 Y N 3.341 123.728 120.300 0.145 0.000 2.393 36 Y HA 0.413 4.963 4.550 -0.000 0.000 0.338 36 Y C -0.219 175.811 175.900 0.217 0.000 1.029 36 Y CA -0.224 57.999 58.100 0.204 0.000 1.239 36 Y CB 0.803 39.410 38.460 0.245 0.000 1.170 36 Y HN 0.419 nan 8.280 nan 0.000 0.515 37 V N 6.833 126.675 119.914 -0.120 0.000 2.459 37 V HA 0.573 4.693 4.120 0.000 0.000 0.295 37 V C -0.725 175.189 176.094 -0.301 0.000 1.029 37 V CA -1.003 61.213 62.300 -0.140 0.000 0.874 37 V CB 1.516 33.306 31.823 -0.054 0.000 0.985 37 V HN 0.491 nan 8.190 nan 0.000 0.438 38 V N 5.383 125.161 119.914 -0.227 0.000 2.577 38 V HA 0.442 4.562 4.120 0.000 0.000 0.303 38 V C -0.780 175.177 176.094 -0.229 0.000 1.042 38 V CA -0.562 61.544 62.300 -0.323 0.000 0.872 38 V CB 1.917 33.614 31.823 -0.211 0.000 0.998 38 V HN 0.619 nan 8.190 nan 0.000 0.423 39 L N 6.266 127.319 121.223 -0.283 0.000 2.272 39 L HA 0.546 4.886 4.340 0.000 0.000 0.284 39 L C 0.305 177.063 176.870 -0.188 0.000 1.045 39 L CA 0.005 54.740 54.840 -0.176 0.000 0.842 39 L CB 0.585 42.554 42.059 -0.151 0.000 1.224 39 L HN 0.508 nan 8.230 nan 0.000 0.430 40 R N 1.854 122.282 120.500 -0.121 0.000 2.459 40 R HA 0.686 5.026 4.340 0.000 0.000 0.281 40 R C 0.107 176.370 176.300 -0.062 0.000 1.050 40 R CA -0.247 55.800 56.100 -0.087 0.000 1.055 40 R CB 1.329 31.602 30.300 -0.045 0.000 1.045 40 R HN 0.683 nan 8.270 nan 0.000 0.495 41 T N -2.843 111.680 114.554 -0.051 0.000 2.864 41 T HA 0.268 4.618 4.350 0.000 0.000 0.289 41 T C 0.114 174.801 174.700 -0.021 0.000 1.082 41 T CA -0.831 61.246 62.100 -0.039 0.000 1.009 41 T CB 1.636 70.473 68.868 -0.051 0.000 1.234 41 T HN 0.490 nan 8.240 nan 0.000 0.526 42 D N -0.916 119.474 120.400 -0.017 0.000 2.388 42 D HA 0.281 4.921 4.640 0.000 0.000 0.221 42 D C 1.027 177.323 176.300 -0.007 0.000 1.133 42 D CA -0.399 53.596 54.000 -0.008 0.000 0.831 42 D CB -0.281 40.515 40.800 -0.006 0.000 0.962 42 D HN 0.753 nan 8.370 nan 0.000 0.502 43 G N 0.211 109.004 108.800 -0.012 0.000 2.666 43 G HA2 0.474 4.434 3.960 0.000 0.000 0.207 43 G HA3 0.474 4.434 3.960 0.000 0.000 0.207 43 G C -0.040 174.859 174.900 -0.002 0.000 1.481 43 G CA -0.373 44.721 45.100 -0.010 0.000 1.071 43 G HN 0.344 nan 8.290 nan 0.000 0.572 44 A N -0.612 122.208 122.820 -0.001 0.000 2.567 44 A HA 0.258 4.578 4.320 0.000 0.000 0.240 44 A C 1.467 179.061 177.584 0.017 0.000 1.053 44 A CA 0.905 52.947 52.037 0.009 0.000 0.755 44 A CB 0.090 19.095 19.000 0.008 0.000 0.978 44 A HN 0.810 nan 8.150 nan 0.000 0.507 45 E N 1.657 121.871 120.200 0.024 0.000 2.236 45 E HA -0.263 4.087 4.350 0.000 0.000 0.205 45 E C 1.100 177.731 176.600 0.051 0.000 1.028 45 E CA 2.322 58.743 56.400 0.036 0.000 0.827 45 E CB -0.057 29.667 29.700 0.040 0.000 0.735 45 E HN 0.744 nan 8.360 nan 0.000 0.470 46 D N -0.838 119.591 120.400 0.050 0.000 2.349 46 D HA -0.039 4.601 4.640 0.000 0.000 0.224 46 D C -0.218 176.122 176.300 0.068 0.000 1.029 46 D CA -0.020 54.021 54.000 0.069 0.000 0.879 46 D CB -0.033 40.803 40.800 0.059 0.000 0.906 46 D HN 0.141 nan 8.370 nan 0.000 0.528 47 L N 1.438 122.681 121.223 0.033 0.000 2.295 47 L HA 0.559 4.899 4.340 0.000 0.000 0.288 47 L C -0.679 176.178 176.870 -0.022 0.000 1.079 47 L CA -0.033 54.809 54.840 0.004 0.000 0.830 47 L CB -0.214 41.833 42.059 -0.020 0.000 1.200 47 L HN -0.003 nan 8.230 nan 0.000 0.438 48 A N 3.451 126.249 122.820 -0.036 0.000 2.605 48 A HA 0.726 5.046 4.320 0.000 0.000 0.294 48 A C -0.486 176.954 177.584 -0.239 0.000 1.062 48 A CA -0.180 51.749 52.037 -0.180 0.000 0.682 48 A CB 1.317 20.162 19.000 -0.259 0.000 1.278 48 A HN 0.711 nan 8.150 nan 0.000 0.410 49 G N -0.075 108.515 108.800 -0.349 0.000 2.379 49 G HA2 0.609 4.569 3.960 0.000 0.000 0.327 49 G HA3 0.609 4.569 3.960 0.000 0.000 0.327 49 G C -1.349 173.297 174.900 -0.424 0.000 1.145 49 G CA -0.296 44.666 45.100 -0.230 0.000 0.905 49 G HN 0.501 nan 8.290 nan 0.000 0.466 50 Y N 0.205 120.504 120.300 -0.003 0.000 2.446 50 Y HA 0.717 5.267 4.550 -0.000 0.000 0.345 50 Y C 0.732 176.610 175.900 -0.037 0.000 0.984 50 Y CA -0.315 57.748 58.100 -0.061 0.000 1.058 50 Y CB 2.875 41.340 38.460 0.010 0.000 1.220 50 Y HN 0.847 nan 8.280 nan 0.000 0.455 51 G N 1.451 110.270 108.800 0.032 0.000 2.682 51 G HA2 0.735 4.695 3.960 0.000 0.000 0.290 51 G HA3 0.735 4.695 3.960 0.000 0.000 0.290 51 G C -2.178 172.763 174.900 0.068 0.000 1.425 51 G CA -1.006 44.110 45.100 0.026 0.000 0.807 51 G HN 0.728 nan 8.290 nan 0.000 0.482 52 L N -2.635 118.637 121.223 0.081 0.000 2.653 52 L HA 0.837 5.177 4.340 0.000 0.000 0.257 52 L C -1.283 175.656 176.870 0.115 0.000 0.969 52 L CA -1.099 53.839 54.840 0.163 0.000 0.869 52 L CB 1.504 43.752 42.059 0.315 0.000 1.439 52 L HN 0.502 nan 8.230 nan 0.000 0.414 53 V N 1.924 121.915 119.914 0.129 0.000 2.417 53 V HA 0.490 4.610 4.120 0.000 0.000 0.291 53 V C -0.626 175.564 176.094 0.161 0.000 1.024 53 V CA -0.223 62.139 62.300 0.102 0.000 0.861 53 V CB 1.418 33.268 31.823 0.045 0.000 0.985 53 V HN 0.727 nan 8.190 nan 0.000 0.436 54 F N 4.495 124.451 119.950 0.009 0.000 2.424 54 F HA 0.635 5.162 4.527 -0.000 0.000 0.356 54 F C 0.349 176.133 175.800 -0.027 0.000 1.110 54 F CA 0.221 58.216 58.000 -0.008 0.000 1.161 54 F CB 0.798 39.774 39.000 -0.040 0.000 1.115 54 F HN 0.537 nan 8.300 nan 0.000 0.507 55 T N 7.076 121.271 114.554 -0.599 0.000 2.926 55 T HA 0.468 4.818 4.350 0.000 0.000 0.289 55 T C 0.352 174.613 174.700 -0.731 0.000 1.054 55 T CA -0.532 61.217 62.100 -0.586 0.000 1.015 55 T CB 1.592 70.315 68.868 -0.242 0.000 1.167 55 T HN 0.521 nan 8.240 nan 0.000 0.526 56 I N -1.097 119.208 120.570 -0.443 0.000 3.283 56 I HA 0.672 4.842 4.170 0.000 0.000 0.342 56 I C 0.770 176.843 176.117 -0.073 0.000 1.510 56 I CA -0.525 60.647 61.300 -0.213 0.000 1.006 56 I CB -0.515 37.393 38.000 -0.153 0.000 1.596 56 I HN 0.870 nan 8.210 nan 0.000 0.509 57 G N 2.305 111.046 108.800 -0.098 0.000 3.110 57 G HA2 -0.183 3.777 3.960 0.000 0.000 0.238 57 G HA3 -0.183 3.777 3.960 0.000 0.000 0.238 57 G C -0.060 174.757 174.900 -0.137 0.000 1.647 57 G CA -0.610 44.424 45.100 -0.111 0.000 1.146 57 G HN 0.451 nan 8.290 nan 0.000 0.545 58 R N 1.942 122.379 120.500 -0.106 0.000 2.504 58 R HA 0.350 4.690 4.340 0.000 0.000 0.291 58 R C 1.449 177.696 176.300 -0.089 0.000 0.974 58 R CA 1.520 57.565 56.100 -0.090 0.000 1.077 58 R CB -0.068 30.195 30.300 -0.062 0.000 0.926 58 R HN 2.215 nan 8.270 nan 0.000 0.407 59 G N 2.480 111.234 108.800 -0.076 0.000 2.195 59 G HA2 -0.318 3.642 3.960 0.000 0.000 0.224 59 G HA3 -0.318 3.642 3.960 0.000 0.000 0.224 59 G C 0.806 175.665 174.900 -0.068 0.000 0.990 59 G CA 0.294 45.354 45.100 -0.067 0.000 0.639 59 G HN 0.623 nan 8.290 nan 0.000 0.514 60 N N 1.672 120.323 118.700 -0.082 0.000 2.309 60 N HA -0.051 4.689 4.740 0.000 0.000 0.182 60 N C 1.914 177.407 175.510 -0.028 0.000 1.018 60 N CA 2.032 55.043 53.050 -0.066 0.000 0.876 60 N CB -0.161 38.275 38.487 -0.086 0.000 0.972 60 N HN 0.632 nan 8.380 nan 0.000 0.434 61 D N -0.192 120.197 120.400 -0.019 0.000 2.117 61 D HA -0.136 4.504 4.640 0.000 0.000 0.198 61 D C 2.049 178.347 176.300 -0.003 0.000 0.982 61 D CA 1.480 55.484 54.000 0.006 0.000 0.828 61 D CB -0.994 39.820 40.800 0.024 0.000 0.967 61 D HN 0.279 nan 8.370 nan 0.000 0.464 62 V N -1.181 118.725 119.914 -0.013 0.000 2.453 62 V HA -0.195 3.925 4.120 0.000 0.000 0.247 62 V C 2.478 178.564 176.094 -0.013 0.000 1.048 62 V CA 1.688 63.980 62.300 -0.013 0.000 1.049 62 V CB -1.025 30.787 31.823 -0.018 0.000 0.672 62 V HN 0.025 nan 8.190 nan 0.000 0.457 63 Q N 1.130 120.918 119.800 -0.020 0.000 2.119 63 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 63 Q C 2.183 178.182 176.000 -0.002 0.000 0.972 63 Q CA 2.637 58.430 55.803 -0.017 0.000 0.847 63 Q CB -0.934 27.788 28.738 -0.028 0.000 0.903 63 Q HN 0.712 nan 8.270 nan 0.000 0.433 64 T N -0.041 114.515 114.554 0.004 0.000 2.812 64 T HA -0.032 4.318 4.350 0.000 0.000 0.264 64 T C 1.671 176.372 174.700 0.003 0.000 1.042 64 T CA 1.126 63.233 62.100 0.012 0.000 1.140 64 T CB -0.460 68.419 68.868 0.019 0.000 0.870 64 T HN 0.445 nan 8.240 nan 0.000 0.445 65 A N 1.509 124.330 122.820 0.001 0.000 1.902 65 A HA 0.119 4.439 4.320 0.000 0.000 0.217 65 A C 2.625 180.211 177.584 0.003 0.000 1.181 65 A CA 1.858 53.895 52.037 0.000 0.000 0.623 65 A CB -1.081 17.919 19.000 0.000 0.000 0.818 65 A HN 0.499 nan 8.150 nan 0.000 0.443 66 A N -0.586 122.235 122.820 0.002 0.000 1.877 66 A HA -0.017 4.303 4.320 0.000 0.000 0.216 66 A C 2.241 179.825 177.584 -0.001 0.000 1.186 66 A CA 1.861 53.900 52.037 0.002 0.000 0.620 66 A CB -0.952 18.047 19.000 -0.001 0.000 0.822 66 A HN 0.402 nan 8.150 nan 0.000 0.443 67 V N -0.182 119.732 119.914 -0.000 0.000 2.358 67 V HA -0.220 3.900 4.120 0.000 0.000 0.246 67 V C 3.024 179.118 176.094 0.001 0.000 1.047 67 V CA 1.864 64.164 62.300 -0.001 0.000 1.035 67 V CB -1.192 30.634 31.823 0.006 0.000 0.658 67 V HN 0.607 nan 8.190 nan 0.000 0.452 68 A N -0.006 122.814 122.820 -0.000 0.000 2.019 68 A HA -0.040 4.280 4.320 0.000 0.000 0.219 68 A C 2.258 179.852 177.584 0.016 0.000 1.164 68 A CA 1.658 53.694 52.037 -0.001 0.000 0.644 68 A CB -0.574 18.421 19.000 -0.009 0.000 0.805 68 A HN 0.588 nan 8.150 nan 0.000 0.449 69 A N -0.792 122.040 122.820 0.020 0.000 2.239 69 A HA 0.247 4.567 4.320 0.000 0.000 0.209 69 A C 1.717 179.347 177.584 0.078 0.000 1.171 69 A CA 0.766 52.827 52.037 0.041 0.000 0.768 69 A CB -0.417 18.603 19.000 0.034 0.000 0.790 69 A HN 0.474 nan 8.150 nan 0.000 0.478 70 L N -1.620 119.635 121.223 0.054 0.000 2.585 70 L HA 0.111 4.451 4.340 0.000 0.000 0.226 70 L C 2.680 179.636 176.870 0.143 0.000 1.113 70 L CA 0.425 55.308 54.840 0.073 0.000 0.876 70 L CB -0.265 41.768 42.059 -0.044 0.000 1.072 70 L HN 0.378 nan 8.230 nan 0.000 0.468 71 A N 0.899 123.774 122.820 0.093 0.000 1.884 71 A HA -0.277 4.043 4.320 0.000 0.000 0.219 71 A C 2.129 179.762 177.584 0.082 0.000 1.197 71 A CA 2.045 54.125 52.037 0.072 0.000 0.637 71 A CB -0.431 18.591 19.000 0.036 0.000 0.827 71 A HN 0.472 nan 8.150 nan 0.000 0.450 72 E N -1.044 119.199 120.200 0.071 0.000 2.130 72 E HA -0.235 4.115 4.350 0.000 0.000 0.196 72 E C 1.819 178.396 176.600 -0.038 0.000 0.998 72 E CA 1.373 57.767 56.400 -0.010 0.000 0.806 72 E CB -0.389 29.260 29.700 -0.084 0.000 0.738 72 E HN 0.799 nan 8.360 nan 0.000 0.459 73 H N -0.844 118.222 119.070 -0.007 0.000 2.495 73 H HA -0.009 4.547 4.556 -0.000 0.000 0.287 73 H C 1.870 177.206 175.328 0.014 0.000 1.033 73 H CA 0.914 56.950 56.048 -0.020 0.000 1.307 73 H CB 0.582 30.305 29.762 -0.066 0.000 1.401 73 H HN 0.065 nan 8.280 nan 0.000 0.555 74 V N 0.772 120.787 119.914 0.169 0.000 3.307 74 V HA -0.029 4.091 4.120 0.000 0.000 0.244 74 V C 0.989 177.154 176.094 0.118 0.000 1.196 74 V CA 0.276 62.689 62.300 0.189 0.000 1.132 74 V CB 0.762 32.725 31.823 0.233 0.000 0.875 74 V HN 0.128 nan 8.190 nan 0.000 0.468 75 V N 0.814 120.772 119.914 0.073 0.000 2.540 75 V HA 0.633 4.753 4.120 0.000 0.000 0.297 75 V C 1.245 177.358 176.094 0.031 0.000 1.024 75 V CA 0.814 63.138 62.300 0.040 0.000 1.105 75 V CB -0.264 31.572 31.823 0.023 0.000 0.938 75 V HN 0.772 nan 8.190 nan 0.000 0.482 76 G N 3.063 111.877 108.800 0.023 0.000 2.213 76 G HA2 -0.193 3.767 3.960 0.000 0.000 0.226 76 G HA3 -0.193 3.767 3.960 0.000 0.000 0.226 76 G C 0.021 174.935 174.900 0.023 0.000 0.992 76 G CA -0.002 45.108 45.100 0.017 0.000 0.632 76 G HN 0.864 nan 8.290 nan 0.000 0.511 77 L N 1.981 123.228 121.223 0.041 0.000 2.416 77 L HA 0.460 4.800 4.340 0.000 0.000 0.272 77 L C 1.339 178.217 176.870 0.013 0.000 1.161 77 L CA 0.184 55.053 54.840 0.049 0.000 0.845 77 L CB 1.331 43.455 42.059 0.108 0.000 1.119 77 L HN 0.290 nan 8.230 nan 0.000 0.464 78 S N 1.817 117.521 115.700 0.006 0.000 2.533 78 S HA 0.087 4.557 4.470 0.000 0.000 0.282 78 S C 1.159 175.734 174.600 -0.042 0.000 1.304 78 S CA -0.839 57.352 58.200 -0.015 0.000 1.063 78 S CB 1.110 64.304 63.200 -0.011 0.000 0.881 78 S HN 0.390 nan 8.310 nan 0.000 0.493 79 V N 4.867 124.746 119.914 -0.059 0.000 2.343 79 V HA -0.123 3.997 4.120 0.000 0.000 0.247 79 V C 2.188 178.220 176.094 -0.103 0.000 1.051 79 V CA 2.074 64.316 62.300 -0.097 0.000 1.036 79 V CB -0.641 31.128 31.823 -0.089 0.000 0.654 79 V HN 0.830 nan 8.190 nan 0.000 0.451 80 D N -0.108 120.250 120.400 -0.070 0.000 2.144 80 D HA -0.192 4.448 4.640 0.000 0.000 0.199 80 D C 2.166 178.429 176.300 -0.061 0.000 0.984 80 D CA 1.400 55.362 54.000 -0.063 0.000 0.834 80 D CB -0.094 40.681 40.800 -0.041 0.000 0.955 80 D HN 0.458 nan 8.370 nan 0.000 0.465 81 K N 1.129 121.501 120.400 -0.047 0.000 2.057 81 K HA -0.117 4.203 4.320 0.000 0.000 0.207 81 K C 2.103 178.675 176.600 -0.046 0.000 1.049 81 K CA 0.816 57.086 56.287 -0.029 0.000 0.931 81 K CB 0.043 32.541 32.500 -0.002 0.000 0.714 81 K HN -0.098 nan 8.250 nan 0.000 0.440 82 V N 1.389 121.248 119.914 -0.093 0.000 2.237 82 V HA -0.256 3.864 4.120 0.000 0.000 0.245 82 V C 2.292 178.241 176.094 -0.242 0.000 1.046 82 V CA 1.616 63.797 62.300 -0.197 0.000 1.007 82 V CB -0.372 31.216 31.823 -0.393 0.000 0.638 82 V HN 0.282 nan 8.190 nan 0.000 0.445 83 I N 0.669 121.101 120.570 -0.231 0.000 2.454 83 I HA -0.169 4.001 4.170 0.000 0.000 0.254 83 I C 2.374 178.408 176.117 -0.138 0.000 1.156 83 I CA 1.522 62.691 61.300 -0.219 0.000 1.433 83 I CB -0.880 37.011 38.000 -0.182 0.000 1.082 83 I HN 0.231 nan 8.210 nan 0.000 0.432 84 A N -1.308 121.454 122.820 -0.097 0.000 2.016 84 A HA -0.061 4.259 4.320 0.000 0.000 0.217 84 A C 1.188 178.737 177.584 -0.058 0.000 1.162 84 A CA 1.156 53.157 52.037 -0.060 0.000 0.662 84 A CB -0.080 18.896 19.000 -0.039 0.000 0.812 84 A HN 0.320 nan 8.150 nan 0.000 0.450 85 D N -0.113 120.250 120.400 -0.061 0.000 2.621 85 D HA 0.245 4.885 4.640 0.000 0.000 0.274 85 D C 0.515 176.802 176.300 -0.021 0.000 1.215 85 D CA -0.382 53.601 54.000 -0.028 0.000 0.810 85 D CB 0.426 41.235 40.800 0.015 0.000 1.248 85 D HN -0.037 nan 8.370 nan 0.000 0.517 86 L N 1.213 122.362 121.223 -0.122 0.000 2.131 86 L HA 0.021 4.361 4.340 0.000 0.000 0.210 86 L C 2.328 179.261 176.870 0.105 0.000 1.092 86 L CA 1.725 56.480 54.840 -0.141 0.000 0.759 86 L CB -1.190 40.504 42.059 -0.609 0.000 0.903 86 L HN 0.421 nan 8.230 nan 0.000 0.435 87 G N -0.841 108.019 108.800 0.100 0.000 2.421 87 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 87 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 87 G C 1.720 176.698 174.900 0.131 0.000 1.171 87 G CA 0.863 46.050 45.100 0.145 0.000 0.775 87 G HN 0.482 nan 8.290 nan 0.000 0.543 88 A N 0.214 123.102 122.820 0.113 0.000 1.930 88 A HA 0.100 4.420 4.320 0.000 0.000 0.217 88 A C 2.152 179.813 177.584 0.128 0.000 1.175 88 A CA 1.507 53.605 52.037 0.101 0.000 0.627 88 A CB -0.501 18.549 19.000 0.084 0.000 0.815 88 A HN 0.407 nan 8.150 nan 0.000 0.443 89 F N 1.015 120.975 119.950 0.018 0.000 2.102 89 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 89 F C 2.494 178.322 175.800 0.047 0.000 1.105 89 F CA 1.225 59.238 58.000 0.022 0.000 1.239 89 F CB -0.452 38.543 39.000 -0.008 0.000 0.991 89 F HN 0.242 nan 8.300 nan 0.000 0.474 90 A N 0.780 123.679 122.820 0.131 0.000 1.877 90 A HA -0.195 4.125 4.320 0.000 0.000 0.216 90 A C 2.310 179.870 177.584 -0.040 0.000 1.186 90 A CA 1.750 53.811 52.037 0.039 0.000 0.620 90 A CB -0.772 18.343 19.000 0.191 0.000 0.822 90 A HN 0.467 nan 8.150 nan 0.000 0.443 91 R N -0.772 119.735 120.500 0.013 0.000 2.189 91 R HA -0.039 4.301 4.340 0.000 0.000 0.223 91 R C 2.247 178.532 176.300 -0.026 0.000 1.092 91 R CA 1.052 57.156 56.100 0.008 0.000 0.989 91 R CB -0.221 30.101 30.300 0.036 0.000 0.876 91 R HN 0.510 nan 8.270 nan 0.000 0.457 92 R N -0.092 120.364 120.500 -0.074 0.000 2.115 92 R HA -0.084 4.256 4.340 0.000 0.000 0.230 92 R C 1.641 177.892 176.300 -0.082 0.000 1.111 92 R CA 0.878 56.941 56.100 -0.062 0.000 0.976 92 R CB -0.085 30.159 30.300 -0.093 0.000 0.870 92 R HN 0.060 nan 8.270 nan 0.000 0.445 93 L N -0.434 120.670 121.223 -0.199 0.000 2.084 93 L HA -0.007 4.333 4.340 0.000 0.000 0.202 93 L C 2.143 178.942 176.870 -0.118 0.000 1.074 93 L CA 1.801 56.492 54.840 -0.248 0.000 0.757 93 L CB -0.897 40.970 42.059 -0.320 0.000 0.918 93 L HN 0.036 nan 8.230 nan 0.000 0.444 94 T N -0.200 114.325 114.554 -0.047 0.000 2.915 94 T HA -0.088 4.262 4.350 0.000 0.000 0.269 94 T C 1.437 176.156 174.700 0.032 0.000 1.071 94 T CA 0.975 63.093 62.100 0.029 0.000 1.132 94 T CB -0.185 68.728 68.868 0.076 0.000 0.878 94 T HN 0.196 nan 8.240 nan 0.000 0.479 95 N N 1.446 120.157 118.700 0.020 0.000 2.398 95 N HA 0.001 4.741 4.740 0.000 0.000 0.188 95 N C 0.101 175.640 175.510 0.049 0.000 1.122 95 N CA 0.169 53.240 53.050 0.035 0.000 0.866 95 N CB -0.064 38.440 38.487 0.029 0.000 0.970 95 N HN 0.360 nan 8.380 nan 0.000 0.462 96 D N 0.853 121.283 120.400 0.051 0.000 2.348 96 D HA -0.001 4.639 4.640 0.000 0.000 0.259 96 D C 1.187 177.538 176.300 0.086 0.000 1.296 96 D CA 0.027 54.079 54.000 0.087 0.000 0.931 96 D CB 0.665 41.542 40.800 0.129 0.000 1.067 96 D HN 0.142 nan 8.370 nan 0.000 0.503 97 S N 3.382 119.135 115.700 0.087 0.000 2.402 97 S HA -0.287 4.183 4.470 0.000 0.000 0.233 97 S C 1.590 176.276 174.600 0.143 0.000 1.030 97 S CA 1.080 59.346 58.200 0.111 0.000 1.003 97 S CB -0.201 63.057 63.200 0.097 0.000 0.813 97 S HN 0.623 nan 8.310 nan 0.000 0.477 98 Q N 0.002 119.867 119.800 0.107 0.000 2.123 98 Q HA 0.103 4.443 4.340 0.000 0.000 0.199 98 Q C 1.975 178.061 176.000 0.144 0.000 0.966 98 Q CA 1.059 56.924 55.803 0.102 0.000 0.845 98 Q CB -0.256 28.512 28.738 0.049 0.000 0.907 98 Q HN 0.405 nan 8.270 nan 0.000 0.439 99 L N 0.421 121.713 121.223 0.115 0.000 2.217 99 L HA -0.082 4.258 4.340 0.000 0.000 0.211 99 L C 2.081 179.013 176.870 0.103 0.000 1.107 99 L CA 1.464 56.360 54.840 0.093 0.000 0.783 99 L CB -0.429 41.650 42.059 0.033 0.000 0.919 99 L HN 0.084 nan 8.230 nan 0.000 0.442 100 R N -1.661 118.906 120.500 0.112 0.000 2.120 100 R HA -0.241 4.099 4.340 0.000 0.000 0.234 100 R C 2.157 178.516 176.300 0.098 0.000 1.123 100 R CA 1.356 57.507 56.100 0.086 0.000 0.975 100 R CB -0.498 29.857 30.300 0.093 0.000 0.866 100 R HN 0.480 nan 8.270 nan 0.000 0.446 101 W N 1.144 122.441 121.300 -0.005 0.000 2.350 101 W HA -0.175 4.485 4.660 0.000 0.000 0.289 101 W C 1.024 177.533 176.519 -0.016 0.000 1.215 101 W CA 0.998 58.338 57.345 -0.009 0.000 1.236 101 W CB 0.112 29.570 29.460 -0.003 0.000 1.130 101 W HN 0.086 nan 8.180 nan 0.000 0.541 102 L N 0.130 121.443 121.223 0.151 0.000 2.549 102 L HA -0.003 4.337 4.340 0.000 0.000 0.229 102 L C 1.898 178.744 176.870 -0.040 0.000 1.158 102 L CA 1.663 56.540 54.840 0.062 0.000 0.842 102 L CB -1.924 40.182 42.059 0.079 0.000 0.952 102 L HN -0.020 nan 8.230 nan 0.000 0.452 103 G N 0.153 108.904 108.800 -0.082 0.000 2.694 103 G HA2 0.241 4.201 3.960 0.000 0.000 0.212 103 G HA3 0.241 4.201 3.960 0.000 0.000 0.212 103 G C -2.268 172.514 174.900 -0.197 0.000 2.030 103 G CA 0.091 45.116 45.100 -0.126 0.000 0.731 103 G HN 0.131 nan 8.290 nan 0.000 0.795 104 P HA 0.310 nan 4.420 nan 0.000 0.288 104 P C -0.884 176.269 177.300 -0.246 0.000 1.267 104 P CA 0.093 63.094 63.100 -0.164 0.000 0.815 104 P CB 1.446 33.072 31.700 -0.123 0.000 0.989 105 E N 0.519 120.500 120.200 -0.364 0.000 2.297 105 E HA -0.220 4.130 4.350 0.000 0.000 0.228 105 E C -0.000 176.176 176.600 -0.707 0.000 1.213 105 E CA 0.869 56.698 56.400 -0.953 0.000 0.712 105 E CB -1.336 27.962 29.700 -0.668 0.000 1.202 105 E HN 0.631 nan 8.360 nan 0.000 0.376 106 K N -1.978 118.237 120.400 -0.308 0.000 2.607 106 K HA 0.660 4.980 4.320 0.000 0.000 0.287 106 K C 0.325 176.909 176.600 -0.027 0.000 0.996 106 K CA -0.645 55.575 56.287 -0.111 0.000 0.876 106 K CB 1.551 33.967 32.500 -0.140 0.000 1.496 106 K HN 0.266 nan 8.250 nan 0.000 0.415 107 G N 0.365 109.146 108.800 -0.031 0.000 2.692 107 G HA2 -0.278 3.682 3.960 0.000 0.000 0.248 107 G HA3 -0.278 3.682 3.960 0.000 0.000 0.248 107 G C 0.657 175.552 174.900 -0.008 0.000 1.340 107 G CA -0.033 45.043 45.100 -0.041 0.000 0.896 107 G HN 0.607 nan 8.290 nan 0.000 0.570 108 V N -0.265 119.633 119.914 -0.026 0.000 2.250 108 V HA -0.330 3.790 4.120 0.000 0.000 0.250 108 V C 2.931 179.028 176.094 0.005 0.000 1.060 108 V CA 3.620 65.909 62.300 -0.019 0.000 1.030 108 V CB -0.734 31.074 31.823 -0.024 0.000 0.643 108 V HN 0.736 nan 8.190 nan 0.000 0.445 109 M N -0.722 118.890 119.600 0.020 0.000 2.117 109 M HA -0.164 4.316 4.480 0.000 0.000 0.262 109 M C 2.037 178.380 176.300 0.073 0.000 1.065 109 M CA 1.989 57.309 55.300 0.034 0.000 1.114 109 M CB -0.819 31.802 32.600 0.035 0.000 1.361 109 M HN 0.507 nan 8.290 nan 0.000 0.408 110 H N -0.739 118.311 119.070 -0.033 0.000 2.389 110 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 110 H C 1.742 177.059 175.328 -0.018 0.000 1.081 110 H CA 2.037 58.069 56.048 -0.026 0.000 1.345 110 H CB -0.080 29.666 29.762 -0.027 0.000 1.393 110 H HN 0.374 nan 8.280 nan 0.000 0.520 111 M N -0.842 118.757 119.600 -0.001 0.000 2.229 111 M HA -0.086 4.394 4.480 0.000 0.000 0.264 111 M C 2.504 178.773 176.300 -0.051 0.000 1.063 111 M CA 1.236 56.502 55.300 -0.057 0.000 1.114 111 M CB -0.141 32.441 32.600 -0.030 0.000 1.387 111 M HN 0.407 nan 8.290 nan 0.000 0.420 112 A N 0.767 123.569 122.820 -0.029 0.000 1.898 112 A HA -0.110 4.210 4.320 0.000 0.000 0.216 112 A C 2.034 179.595 177.584 -0.037 0.000 1.181 112 A CA 1.285 53.309 52.037 -0.022 0.000 0.620 112 A CB -0.759 18.232 19.000 -0.015 0.000 0.819 112 A HN 0.427 nan 8.150 nan 0.000 0.442 113 I N -0.196 120.338 120.570 -0.061 0.000 2.226 113 I HA -0.204 3.966 4.170 0.000 0.000 0.245 113 I C 2.667 178.740 176.117 -0.073 0.000 1.100 113 I CA 1.093 62.345 61.300 -0.079 0.000 1.374 113 I CB -0.540 37.415 38.000 -0.076 0.000 1.057 113 I HN 0.402 nan 8.210 nan 0.000 0.413 114 G N 0.422 109.140 108.800 -0.136 0.000 2.442 114 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 114 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 114 G C 1.816 176.714 174.900 -0.002 0.000 1.141 114 G CA 0.837 45.876 45.100 -0.101 0.000 0.763 114 G HN 0.502 nan 8.290 nan 0.000 0.554 115 A N -0.068 122.752 122.820 -0.000 0.000 1.968 115 A HA 0.210 4.530 4.320 0.000 0.000 0.217 115 A C 2.538 180.162 177.584 0.066 0.000 1.169 115 A CA 1.512 53.565 52.037 0.026 0.000 0.638 115 A CB -0.317 18.697 19.000 0.022 0.000 0.812 115 A HN 0.233 nan 8.150 nan 0.000 0.446 116 V N 0.112 120.072 119.914 0.078 0.000 2.453 116 V HA -0.204 3.916 4.120 0.000 0.000 0.247 116 V C 2.365 178.627 176.094 0.281 0.000 1.048 116 V CA 1.707 64.091 62.300 0.141 0.000 1.049 116 V CB -0.603 31.285 31.823 0.109 0.000 0.672 116 V HN 0.553 nan 8.190 nan 0.000 0.457 117 I N 0.454 121.193 120.570 0.281 0.000 2.179 117 I HA -0.216 3.954 4.170 0.000 0.000 0.242 117 I C 2.414 178.805 176.117 0.456 0.000 1.088 117 I CA 1.393 62.953 61.300 0.435 0.000 1.357 117 I CB -0.472 37.714 38.000 0.310 0.000 1.051 117 I HN 0.341 nan 8.210 nan 0.000 0.409 118 N N 1.139 120.027 118.700 0.314 0.000 2.149 118 N HA -0.157 4.583 4.740 0.000 0.000 0.188 118 N C 1.839 177.576 175.510 0.378 0.000 1.019 118 N CA 1.653 54.925 53.050 0.371 0.000 0.857 118 N CB -0.363 38.209 38.487 0.141 0.000 0.997 118 N HN 0.368 nan 8.380 nan 0.000 0.426 119 A N 0.685 123.633 122.820 0.214 0.000 1.969 119 A HA 0.083 4.403 4.320 0.000 0.000 0.218 119 A C 2.338 179.969 177.584 0.078 0.000 1.169 119 A CA 1.685 53.796 52.037 0.123 0.000 0.635 119 A CB -0.620 18.395 19.000 0.025 0.000 0.810 119 A HN 0.312 nan 8.150 nan 0.000 0.445 120 A N -1.307 121.560 122.820 0.078 0.000 1.898 120 A HA -0.121 4.199 4.320 0.000 0.000 0.216 120 A C 1.925 179.442 177.584 -0.111 0.000 1.181 120 A CA 1.350 53.294 52.037 -0.155 0.000 0.620 120 A CB -0.832 17.939 19.000 -0.381 0.000 0.819 120 A HN 0.712 nan 8.150 nan 0.000 0.442 121 W N 0.072 121.346 121.300 -0.043 0.000 2.388 121 W HA -0.060 4.600 4.660 -0.000 0.000 0.294 121 W C 1.951 178.357 176.519 -0.188 0.000 1.212 121 W CA 1.325 58.613 57.345 -0.096 0.000 1.271 121 W CB -0.347 29.098 29.460 -0.025 0.000 1.126 121 W HN 0.535 nan 8.180 nan 0.000 0.535 122 D N 0.126 120.654 120.400 0.213 0.000 2.097 122 D HA -0.220 4.420 4.640 0.000 0.000 0.195 122 D C 2.153 178.432 176.300 -0.034 0.000 0.989 122 D CA 1.538 55.623 54.000 0.142 0.000 0.827 122 D CB -0.463 40.495 40.800 0.265 0.000 0.966 122 D HN 0.100 nan 8.370 nan 0.000 0.456 123 L N -0.179 120.999 121.223 -0.075 0.000 2.042 123 L HA -0.196 4.144 4.340 0.000 0.000 0.210 123 L C 2.281 179.000 176.870 -0.251 0.000 1.076 123 L CA 1.720 56.471 54.840 -0.147 0.000 0.749 123 L CB -0.461 41.491 42.059 -0.180 0.000 0.893 123 L HN 0.150 nan 8.230 nan 0.000 0.432 124 A N -0.245 122.346 122.820 -0.382 0.000 1.902 124 A HA -0.188 4.132 4.320 0.000 0.000 0.217 124 A C 2.415 179.478 177.584 -0.868 0.000 1.181 124 A CA 1.769 53.444 52.037 -0.603 0.000 0.623 124 A CB -0.896 17.648 19.000 -0.760 0.000 0.818 124 A HN 0.595 nan 8.150 nan 0.000 0.443 125 A N -0.281 121.995 122.820 -0.907 0.000 1.930 125 A HA -0.126 4.194 4.320 0.000 0.000 0.217 125 A C 2.223 179.628 177.584 -0.298 0.000 1.175 125 A CA 1.312 52.927 52.037 -0.703 0.000 0.627 125 A CB -0.408 18.344 19.000 -0.414 0.000 0.815 125 A HN 0.477 nan 8.150 nan 0.000 0.443 126 R N -0.109 120.267 120.500 -0.207 0.000 2.070 126 R HA -0.097 4.243 4.340 0.000 0.000 0.233 126 R C 2.428 178.672 176.300 -0.093 0.000 1.137 126 R CA 1.491 57.537 56.100 -0.090 0.000 0.945 126 R CB -1.299 28.979 30.300 -0.037 0.000 0.845 126 R HN 0.482 nan 8.270 nan 0.000 0.430 127 A N 1.495 124.237 122.820 -0.130 0.000 1.978 127 A HA -0.063 4.257 4.320 0.000 0.000 0.220 127 A C 2.176 179.719 177.584 -0.068 0.000 1.170 127 A CA 1.841 53.821 52.037 -0.095 0.000 0.636 127 A CB -0.406 18.525 19.000 -0.115 0.000 0.810 127 A HN 0.404 nan 8.150 nan 0.000 0.448 128 A N -1.371 121.397 122.820 -0.087 0.000 2.275 128 A HA 0.236 4.556 4.320 0.000 0.000 0.212 128 A C 0.869 178.452 177.584 -0.001 0.000 1.201 128 A CA 0.402 52.438 52.037 -0.002 0.000 0.843 128 A CB -0.484 18.586 19.000 0.117 0.000 0.873 128 A HN 0.509 nan 8.150 nan 0.000 0.492 129 N N -0.123 118.560 118.700 -0.028 0.000 2.705 129 N HA -0.141 4.599 4.740 0.000 0.000 0.255 129 N C -0.886 174.617 175.510 -0.012 0.000 1.008 129 N CA 1.267 54.309 53.050 -0.014 0.000 0.742 129 N CB -0.806 37.680 38.487 -0.001 0.000 0.906 129 N HN 0.702 nan 8.380 nan 0.000 0.541 130 K N 0.077 120.463 120.400 -0.025 0.000 2.502 130 K HA 0.465 4.785 4.320 0.000 0.000 0.257 130 K C -2.619 173.950 176.600 -0.051 0.000 0.938 130 K CA -1.505 54.757 56.287 -0.041 0.000 0.819 130 K CB 2.592 35.084 32.500 -0.013 0.000 1.333 130 K HN -0.050 nan 8.250 nan 0.000 0.434 131 P HA -0.016 nan 4.420 nan 0.000 0.271 131 P C 0.587 177.866 177.300 -0.035 0.000 1.218 131 P CA -0.399 62.718 63.100 0.028 0.000 0.780 131 P CB 0.820 32.569 31.700 0.081 0.000 0.901 132 L N 4.943 126.163 121.223 -0.005 0.000 2.021 132 L HA -0.174 4.166 4.340 0.000 0.000 0.215 132 L C 2.347 179.295 176.870 0.129 0.000 1.074 132 L CA 1.989 56.781 54.840 -0.081 0.000 0.760 132 L CB -1.629 40.049 42.059 -0.635 0.000 0.889 132 L HN 0.578 nan 8.230 nan 0.000 0.433 133 W N -0.428 121.058 121.300 0.310 0.000 2.325 133 W HA -0.218 4.442 4.660 -0.000 0.000 0.299 133 W C 2.077 178.678 176.519 0.136 0.000 1.215 133 W CA 1.140 58.586 57.345 0.168 0.000 1.244 133 W CB -1.212 28.314 29.460 0.110 0.000 1.140 133 W HN 0.168 nan 8.180 nan 0.000 0.523 134 R N -0.078 119.962 120.500 -0.767 0.000 2.073 134 R HA -0.105 4.235 4.340 0.000 0.000 0.229 134 R C 2.291 178.467 176.300 -0.207 0.000 1.120 134 R CA 1.587 57.249 56.100 -0.729 0.000 0.967 134 R CB -1.130 28.597 30.300 -0.954 0.000 0.862 134 R HN 0.164 nan 8.270 nan 0.000 0.436 135 F N 1.892 121.712 119.950 -0.217 0.000 2.095 135 F HA -0.217 4.310 4.527 0.000 0.000 0.298 135 F C 2.025 177.826 175.800 0.002 0.000 1.104 135 F CA 1.438 59.386 58.000 -0.087 0.000 1.232 135 F CB -0.290 38.684 39.000 -0.044 0.000 0.987 135 F HN -0.104 nan 8.300 nan 0.000 0.475 136 I N 0.151 120.764 120.570 0.072 0.000 2.142 136 I HA -0.288 3.882 4.170 0.000 0.000 0.240 136 I C 2.644 178.741 176.117 -0.033 0.000 1.078 136 I CA 1.344 62.664 61.300 0.035 0.000 1.343 136 I CB -1.088 36.967 38.000 0.092 0.000 1.046 136 I HN 0.210 nan 8.210 nan 0.000 0.405 137 A N 0.078 122.909 122.820 0.018 0.000 2.125 137 A HA -0.165 4.155 4.320 0.000 0.000 0.219 137 A C 1.900 179.464 177.584 -0.034 0.000 1.156 137 A CA 1.366 53.422 52.037 0.032 0.000 0.671 137 A CB -0.502 18.582 19.000 0.141 0.000 0.794 137 A HN 0.499 nan 8.150 nan 0.000 0.459 138 E N -0.675 119.464 120.200 -0.102 0.000 2.476 138 E HA 0.260 4.610 4.350 0.000 0.000 0.196 138 E C -0.450 176.053 176.600 -0.161 0.000 1.029 138 E CA -0.395 55.935 56.400 -0.117 0.000 0.896 138 E CB 0.168 29.797 29.700 -0.118 0.000 1.012 138 E HN 0.538 nan 8.360 nan 0.000 0.475 139 L N 1.475 122.579 121.223 -0.199 0.000 2.399 139 L HA 0.188 4.528 4.340 0.000 0.000 0.266 139 L C 1.000 177.808 176.870 -0.104 0.000 1.114 139 L CA -0.588 54.127 54.840 -0.208 0.000 0.804 139 L CB 0.833 42.748 42.059 -0.241 0.000 1.146 139 L HN 0.057 nan 8.230 nan 0.000 0.451 140 T N -1.564 112.941 114.554 -0.081 0.000 2.868 140 T HA 0.170 4.520 4.350 0.000 0.000 0.292 140 T C -1.916 172.771 174.700 -0.023 0.000 1.028 140 T CA -1.544 60.529 62.100 -0.044 0.000 1.059 140 T CB 1.110 69.957 68.868 -0.036 0.000 0.991 140 T HN 0.349 nan 8.240 nan 0.000 0.531 141 P HA -0.106 nan 4.420 nan 0.000 0.216 141 P C 1.190 178.505 177.300 0.025 0.000 1.150 141 P CA 1.119 64.225 63.100 0.011 0.000 0.843 141 P CB 0.068 31.772 31.700 0.007 0.000 0.787 142 E N -0.802 119.406 120.200 0.013 0.000 2.072 142 E HA -0.153 4.197 4.350 0.000 0.000 0.190 142 E C 2.146 178.763 176.600 0.029 0.000 0.982 142 E CA 1.073 57.485 56.400 0.021 0.000 0.803 142 E CB -0.728 28.976 29.700 0.006 0.000 0.755 142 E HN 0.377 nan 8.360 nan 0.000 0.453 143 Q N -0.234 119.570 119.800 0.006 0.000 2.119 143 Q HA -0.128 4.212 4.340 0.000 0.000 0.201 143 Q C 1.936 177.957 176.000 0.034 0.000 0.972 143 Q CA 0.756 56.557 55.803 -0.003 0.000 0.847 143 Q CB -0.080 28.625 28.738 -0.055 0.000 0.903 143 Q HN 0.168 nan 8.270 nan 0.000 0.433 144 L N -0.027 121.222 121.223 0.044 0.000 2.005 144 L HA -0.139 4.201 4.340 0.000 0.000 0.207 144 L C 2.252 179.199 176.870 0.128 0.000 1.072 144 L CA 1.342 56.237 54.840 0.092 0.000 0.744 144 L CB -0.958 41.139 42.059 0.062 0.000 0.895 144 L HN 0.071 nan 8.230 nan 0.000 0.433 145 V N -0.257 119.738 119.914 0.134 0.000 2.469 145 V HA -0.286 3.834 4.120 0.000 0.000 0.251 145 V C 1.841 178.092 176.094 0.261 0.000 1.064 145 V CA 2.032 64.467 62.300 0.225 0.000 1.066 145 V CB -0.463 31.488 31.823 0.215 0.000 0.667 145 V HN 0.506 nan 8.190 nan 0.000 0.461 146 D N -0.346 120.157 120.400 0.172 0.000 2.371 146 D HA -0.077 4.563 4.640 0.000 0.000 0.221 146 D C 2.089 178.478 176.300 0.149 0.000 0.986 146 D CA 1.506 55.600 54.000 0.156 0.000 0.899 146 D CB 0.102 40.959 40.800 0.094 0.000 0.902 146 D HN 0.729 nan 8.370 nan 0.000 0.530 147 T N -1.400 113.252 114.554 0.162 0.000 3.081 147 T HA 0.041 4.391 4.350 0.000 0.000 0.255 147 T C 1.005 175.790 174.700 0.143 0.000 1.113 147 T CA -0.383 61.836 62.100 0.199 0.000 1.082 147 T CB -0.063 69.027 68.868 0.370 0.000 0.939 147 T HN 0.094 nan 8.240 nan 0.000 0.506 148 I N 0.359 120.954 120.570 0.042 0.000 2.499 148 I HA 0.577 4.747 4.170 0.000 0.000 0.296 148 I C -0.768 175.219 176.117 -0.217 0.000 0.992 148 I CA -0.826 60.381 61.300 -0.156 0.000 1.297 148 I CB 1.202 38.962 38.000 -0.400 0.000 1.410 148 I HN -0.195 nan 8.210 nan 0.000 0.507 149 D N 5.166 125.445 120.400 -0.201 0.000 2.380 149 D HA 0.191 4.831 4.640 0.000 0.000 0.230 149 D C 0.159 176.340 176.300 -0.199 0.000 1.154 149 D CA -0.013 53.924 54.000 -0.105 0.000 0.859 149 D CB 0.199 40.984 40.800 -0.025 0.000 1.045 149 D HN 0.545 nan 8.370 nan 0.000 0.495 150 F N 1.808 121.764 119.950 0.009 0.000 2.811 150 F HA 0.103 4.630 4.527 0.000 0.000 0.301 150 F C 1.734 177.514 175.800 -0.033 0.000 1.151 150 F CA -0.160 57.844 58.000 0.007 0.000 1.412 150 F CB -0.010 38.996 39.000 0.010 0.000 1.113 150 F HN 0.154 nan 8.300 nan 0.000 0.579 151 R N 0.421 120.927 120.500 0.011 0.000 2.585 151 R HA -0.124 4.216 4.340 0.000 0.000 0.275 151 R C -0.210 175.980 176.300 -0.184 0.000 1.018 151 R CA 0.412 56.371 56.100 -0.235 0.000 1.072 151 R CB -0.068 29.940 30.300 -0.486 0.000 0.953 151 R HN 0.333 nan 8.270 nan 0.000 0.419 152 Y N 1.179 121.523 120.300 0.073 0.000 4.907 152 Y HA -0.274 4.276 4.550 -0.000 0.000 0.246 152 Y C 0.588 176.530 175.900 0.070 0.000 0.968 152 Y CA 0.780 58.912 58.100 0.054 0.000 1.961 152 Y CB -1.847 36.630 38.460 0.028 0.000 1.487 152 Y HN 0.645 nan 8.280 nan 0.000 0.575 153 L N -0.916 120.435 121.223 0.213 0.000 2.781 153 L HA 0.108 4.448 4.340 0.000 0.000 0.245 153 L C 2.065 179.059 176.870 0.207 0.000 1.118 153 L CA 0.776 55.737 54.840 0.202 0.000 0.918 153 L CB 0.037 42.212 42.059 0.193 0.000 1.246 153 L HN 0.258 nan 8.230 nan 0.000 0.526 154 S N 0.147 115.956 115.700 0.181 0.000 2.440 154 S HA -0.219 4.251 4.470 0.000 0.000 0.240 154 S C 1.423 176.092 174.600 0.115 0.000 1.014 154 S CA 1.552 59.832 58.200 0.133 0.000 0.980 154 S CB -0.466 62.784 63.200 0.084 0.000 0.775 154 S HN 0.609 nan 8.310 nan 0.000 0.499 155 D N 1.071 121.547 120.400 0.126 0.000 2.347 155 D HA 0.237 4.877 4.640 0.000 0.000 0.213 155 D C 1.412 177.800 176.300 0.146 0.000 0.985 155 D CA 0.862 54.931 54.000 0.115 0.000 0.879 155 D CB -0.051 40.813 40.800 0.106 0.000 0.919 155 D HN 0.635 nan 8.370 nan 0.000 0.526 156 A N -0.376 122.555 122.820 0.186 0.000 2.140 156 A HA 0.393 4.713 4.320 0.000 0.000 0.199 156 A C 0.312 178.060 177.584 0.273 0.000 1.416 156 A CA -0.161 52.040 52.037 0.274 0.000 1.018 156 A CB 0.652 19.845 19.000 0.322 0.000 1.117 156 A HN 0.152 nan 8.150 nan 0.000 0.480 157 L N 1.437 122.801 121.223 0.236 0.000 2.611 157 L HA 0.481 4.821 4.340 0.000 0.000 0.263 157 L C -0.195 176.833 176.870 0.263 0.000 0.969 157 L CA 0.125 55.114 54.840 0.248 0.000 0.894 157 L CB 1.502 43.731 42.059 0.284 0.000 1.229 157 L HN 0.276 nan 8.230 nan 0.000 0.416 158 T N 0.008 114.633 114.554 0.118 0.000 2.874 158 T HA 0.349 4.699 4.350 0.000 0.000 0.281 158 T C 1.116 175.665 174.700 -0.253 0.000 0.994 158 T CA -0.292 61.776 62.100 -0.054 0.000 1.015 158 T CB 1.420 70.246 68.868 -0.071 0.000 1.028 158 T HN 0.720 nan 8.240 nan 0.000 0.523 159 R N 0.457 120.515 120.500 -0.737 0.000 2.105 159 R HA -0.149 4.191 4.340 0.000 0.000 0.239 159 R C 1.434 177.566 176.300 -0.279 0.000 1.135 159 R CA 2.327 57.891 56.100 -0.893 0.000 0.967 159 R CB -0.622 29.169 30.300 -0.848 0.000 0.861 159 R HN 0.830 nan 8.270 nan 0.000 0.442 160 D N -0.301 119.985 120.400 -0.191 0.000 2.117 160 D HA -0.134 4.506 4.640 0.000 0.000 0.198 160 D C 1.604 177.881 176.300 -0.039 0.000 0.982 160 D CA 1.322 55.269 54.000 -0.090 0.000 0.828 160 D CB 0.034 40.788 40.800 -0.076 0.000 0.967 160 D HN 0.387 nan 8.370 nan 0.000 0.464 161 E N 0.354 120.540 120.200 -0.023 0.000 2.106 161 E HA -0.111 4.239 4.350 0.000 0.000 0.192 161 E C 2.117 178.747 176.600 0.050 0.000 0.984 161 E CA 0.831 57.240 56.400 0.016 0.000 0.806 161 E CB -0.057 29.663 29.700 0.033 0.000 0.750 161 E HN 0.264 nan 8.360 nan 0.000 0.458 162 A N 1.025 123.900 122.820 0.090 0.000 1.898 162 A HA -0.141 4.179 4.320 0.000 0.000 0.216 162 A C 2.151 179.787 177.584 0.088 0.000 1.181 162 A CA 0.921 53.045 52.037 0.145 0.000 0.620 162 A CB -0.548 18.640 19.000 0.313 0.000 0.819 162 A HN 0.140 nan 8.150 nan 0.000 0.442 163 L N -0.806 120.448 121.223 0.051 0.000 2.046 163 L HA -0.205 4.135 4.340 0.000 0.000 0.208 163 L C 3.111 179.991 176.870 0.016 0.000 1.077 163 L CA 1.037 55.894 54.840 0.028 0.000 0.747 163 L CB -0.492 41.569 42.059 0.002 0.000 0.896 163 L HN 0.458 nan 8.230 nan 0.000 0.432 164 A N 0.291 123.117 122.820 0.009 0.000 1.902 164 A HA -0.194 4.126 4.320 0.000 0.000 0.217 164 A C 2.181 179.768 177.584 0.005 0.000 1.181 164 A CA 1.526 53.564 52.037 0.002 0.000 0.623 164 A CB -0.635 18.363 19.000 -0.003 0.000 0.818 164 A HN 0.352 nan 8.150 nan 0.000 0.443 165 I N -0.351 120.229 120.570 0.016 0.000 2.142 165 I HA -0.275 3.895 4.170 0.000 0.000 0.240 165 I C 2.354 178.476 176.117 0.009 0.000 1.078 165 I CA 1.319 62.627 61.300 0.014 0.000 1.343 165 I CB -0.391 37.627 38.000 0.030 0.000 1.046 165 I HN 0.281 nan 8.210 nan 0.000 0.405 166 L N 0.013 121.247 121.223 0.018 0.000 2.131 166 L HA -0.169 4.171 4.340 0.000 0.000 0.210 166 L C 2.694 179.563 176.870 -0.000 0.000 1.092 166 L CA 1.222 56.069 54.840 0.011 0.000 0.759 166 L CB -0.497 41.577 42.059 0.025 0.000 0.903 166 L HN 0.182 nan 8.230 nan 0.000 0.435 167 R N -0.303 120.197 120.500 -0.000 0.000 2.093 167 R HA -0.103 4.237 4.340 0.000 0.000 0.224 167 R C 1.867 178.160 176.300 -0.012 0.000 1.101 167 R CA 1.115 57.211 56.100 -0.007 0.000 0.979 167 R CB -0.145 30.152 30.300 -0.006 0.000 0.877 167 R HN 0.278 nan 8.270 nan 0.000 0.441 168 D N 0.686 121.079 120.400 -0.013 0.000 2.117 168 D HA -0.126 4.514 4.640 0.000 0.000 0.197 168 D C 1.674 177.958 176.300 -0.026 0.000 0.987 168 D CA 1.548 55.537 54.000 -0.018 0.000 0.829 168 D CB -0.192 40.598 40.800 -0.017 0.000 0.961 168 D HN 0.233 nan 8.370 nan 0.000 0.460 169 A N 0.522 123.324 122.820 -0.030 0.000 2.066 169 A HA -0.170 4.150 4.320 0.000 0.000 0.218 169 A C 2.045 179.605 177.584 -0.042 0.000 1.157 169 A CA 1.429 53.438 52.037 -0.046 0.000 0.670 169 A CB -0.490 18.479 19.000 -0.052 0.000 0.804 169 A HN 0.136 nan 8.150 nan 0.000 0.453 170 Q N 0.874 120.658 119.800 -0.028 0.000 2.082 170 Q HA -0.186 4.154 4.340 0.000 0.000 0.211 170 Q C -0.778 175.207 176.000 -0.024 0.000 1.002 170 Q CA 2.918 58.707 55.803 -0.023 0.000 0.868 170 Q CB -1.443 27.285 28.738 -0.018 0.000 0.931 170 Q HN 0.469 nan 8.270 nan 0.000 0.414 171 P HA -0.109 nan 4.420 nan 0.000 0.218 171 P C 0.595 177.880 177.300 -0.024 0.000 1.148 171 P CA 1.401 64.489 63.100 -0.021 0.000 0.822 171 P CB 0.003 31.691 31.700 -0.020 0.000 0.784 172 Q N -1.626 118.151 119.800 -0.038 0.000 2.403 172 Q HA 0.100 4.440 4.340 0.000 0.000 0.203 172 Q C 1.892 177.861 176.000 -0.052 0.000 0.932 172 Q CA 0.387 56.160 55.803 -0.050 0.000 0.945 172 Q CB -0.428 28.262 28.738 -0.078 0.000 1.045 172 Q HN 0.144 nan 8.270 nan 0.000 0.511 173 R N 0.288 120.766 120.500 -0.037 0.000 2.103 173 R HA -0.165 4.175 4.340 0.000 0.000 0.242 173 R C 2.047 178.362 176.300 0.024 0.000 1.142 173 R CA 1.609 57.701 56.100 -0.014 0.000 0.960 173 R CB -0.461 29.837 30.300 -0.003 0.000 0.858 173 R HN 0.319 nan 8.270 nan 0.000 0.439 174 A N 0.685 123.518 122.820 0.021 0.000 1.877 174 A HA -0.134 4.186 4.320 0.000 0.000 0.216 174 A C 2.333 179.948 177.584 0.053 0.000 1.186 174 A CA 1.770 53.831 52.037 0.039 0.000 0.620 174 A CB -0.820 18.195 19.000 0.024 0.000 0.822 174 A HN 0.428 nan 8.150 nan 0.000 0.443 175 A N -0.179 122.661 122.820 0.032 0.000 1.898 175 A HA -0.146 4.174 4.320 0.000 0.000 0.216 175 A C 2.240 179.867 177.584 0.071 0.000 1.181 175 A CA 1.465 53.526 52.037 0.040 0.000 0.620 175 A CB -0.452 18.558 19.000 0.017 0.000 0.819 175 A HN 0.565 nan 8.150 nan 0.000 0.442 176 R N -0.894 119.631 120.500 0.042 0.000 2.081 176 R HA -0.075 4.265 4.340 0.000 0.000 0.235 176 R C 2.214 178.673 176.300 0.264 0.000 1.131 176 R CA 1.734 57.885 56.100 0.086 0.000 0.960 176 R CB -0.830 29.328 30.300 -0.237 0.000 0.856 176 R HN 0.494 nan 8.270 nan 0.000 0.436 177 T N 1.089 115.775 114.554 0.221 0.000 2.746 177 T HA -0.139 4.211 4.350 0.000 0.000 0.267 177 T C 1.992 176.841 174.700 0.249 0.000 1.039 177 T CA 1.480 63.770 62.100 0.317 0.000 1.142 177 T CB -0.218 68.823 68.868 0.289 0.000 0.866 177 T HN 0.390 nan 8.240 nan 0.000 0.444 178 A N 1.252 124.173 122.820 0.169 0.000 1.898 178 A HA -0.103 4.217 4.320 0.000 0.000 0.216 178 A C 2.562 180.209 177.584 0.105 0.000 1.181 178 A CA 1.982 54.093 52.037 0.124 0.000 0.620 178 A CB -1.219 17.834 19.000 0.087 0.000 0.819 178 A HN 0.463 nan 8.150 nan 0.000 0.442 179 T N 0.201 114.830 114.554 0.124 0.000 2.746 179 T HA -0.120 4.230 4.350 0.000 0.000 0.267 179 T C 1.844 176.563 174.700 0.031 0.000 1.039 179 T CA 1.369 63.527 62.100 0.097 0.000 1.142 179 T CB -0.347 68.627 68.868 0.176 0.000 0.866 179 T HN 0.372 nan 8.240 nan 0.000 0.444 180 L N 0.385 121.642 121.223 0.056 0.000 2.056 180 L HA 0.009 4.349 4.340 0.000 0.000 0.207 180 L C 2.294 179.102 176.870 -0.103 0.000 1.078 180 L CA 1.397 56.171 54.840 -0.111 0.000 0.749 180 L CB -0.287 41.689 42.059 -0.139 0.000 0.901 180 L HN 0.286 nan 8.230 nan 0.000 0.433 181 I N 0.168 120.740 120.570 0.004 0.000 2.454 181 I HA -0.290 3.880 4.170 0.000 0.000 0.254 181 I C 2.376 178.503 176.117 0.016 0.000 1.156 181 I CA 1.658 62.986 61.300 0.046 0.000 1.433 181 I CB -0.106 37.984 38.000 0.151 0.000 1.082 181 I HN 0.474 nan 8.210 nan 0.000 0.432 182 E N 0.055 120.256 120.200 0.003 0.000 2.290 182 E HA -0.081 4.269 4.350 0.000 0.000 0.197 182 E C 1.922 178.498 176.600 -0.040 0.000 0.948 182 E CA 0.104 56.498 56.400 -0.010 0.000 0.895 182 E CB -0.076 29.625 29.700 0.002 0.000 0.865 182 E HN 0.442 nan 8.360 nan 0.000 0.486 183 Q N 0.616 120.378 119.800 -0.064 0.000 2.391 183 Q HA 0.226 4.566 4.340 0.000 0.000 0.211 183 Q C 0.484 176.412 176.000 -0.121 0.000 0.908 183 Q CA 0.340 56.087 55.803 -0.093 0.000 0.920 183 Q CB 1.106 29.778 28.738 -0.110 0.000 1.056 183 Q HN 0.351 nan 8.270 nan 0.000 0.523 184 G N 0.773 109.493 108.800 -0.134 0.000 2.828 184 G HA2 -0.314 3.646 3.960 0.000 0.000 0.463 184 G HA3 -0.314 3.646 3.960 0.000 0.000 0.463 184 G C -1.377 173.438 174.900 -0.142 0.000 1.394 184 G CA -0.535 44.493 45.100 -0.120 0.000 0.862 184 G HN 0.219 nan 8.290 nan 0.000 0.540 185 Y N 1.229 121.413 120.300 -0.194 0.000 2.377 185 Y HA 0.610 5.160 4.550 0.000 0.000 0.339 185 Y C -1.943 173.923 175.900 -0.056 0.000 1.011 185 Y CA -2.106 55.872 58.100 -0.203 0.000 1.093 185 Y CB 2.058 40.371 38.460 -0.244 0.000 1.201 185 Y HN 0.510 nan 8.280 nan 0.000 0.455 186 P HA 0.220 nan 4.420 nan 0.000 0.267 186 P C -1.420 176.115 177.300 0.391 0.000 1.200 186 P CA 0.317 63.497 63.100 0.134 0.000 0.772 186 P CB 0.664 32.370 31.700 0.009 0.000 0.855 187 A N 2.464 125.502 122.820 0.363 0.000 2.469 187 A HA 0.778 5.098 4.320 0.000 0.000 0.299 187 A C -1.555 176.452 177.584 0.706 0.000 1.098 187 A CA -0.493 51.876 52.037 0.553 0.000 0.737 187 A CB 1.054 20.294 19.000 0.400 0.000 1.312 187 A HN 0.574 nan 8.150 nan 0.000 0.414 188 Y N -0.943 119.673 120.300 0.526 0.000 2.570 188 Y HA 0.831 5.381 4.550 0.000 0.000 0.345 188 Y C -0.086 175.924 175.900 0.184 0.000 1.014 188 Y CA -0.723 57.625 58.100 0.414 0.000 1.063 188 Y CB 1.264 39.974 38.460 0.418 0.000 1.272 188 Y HN 0.730 nan 8.280 nan 0.000 0.477 189 T N -1.797 112.741 114.554 -0.026 0.000 2.885 189 T HA 0.464 4.814 4.350 0.000 0.000 0.285 189 T C 0.362 175.031 174.700 -0.052 0.000 1.019 189 T CA -0.164 61.776 62.100 -0.266 0.000 1.010 189 T CB 1.540 70.021 68.868 -0.646 0.000 1.022 189 T HN 0.968 nan 8.240 nan 0.000 0.466 190 T N -2.409 112.117 114.554 -0.047 0.000 3.010 190 T HA 0.101 4.451 4.350 0.000 0.000 0.257 190 T C 2.060 176.857 174.700 0.161 0.000 1.020 190 T CA 0.378 62.518 62.100 0.068 0.000 0.938 190 T CB -0.448 68.456 68.868 0.059 0.000 1.049 190 T HN 0.678 nan 8.240 nan 0.000 0.522 191 S N 2.989 118.739 115.700 0.083 0.000 2.407 191 S HA -0.066 4.404 4.470 0.000 0.000 0.235 191 S C -0.690 173.975 174.600 0.109 0.000 1.036 191 S CA 1.148 59.398 58.200 0.083 0.000 1.013 191 S CB -1.783 61.404 63.200 -0.022 0.000 0.820 191 S HN 0.476 nan 8.310 nan 0.000 0.476 192 P HA 0.259 nan 4.420 nan 0.000 0.245 192 P C 1.216 178.655 177.300 0.232 0.000 1.203 192 P CA 0.837 64.040 63.100 0.171 0.000 0.792 192 P CB -0.359 31.388 31.700 0.079 0.000 0.997 193 G N -1.510 107.418 108.800 0.213 0.000 3.141 193 G HA2 -0.012 3.948 3.960 0.000 0.000 0.218 193 G HA3 -0.012 3.948 3.960 0.000 0.000 0.218 193 G C -0.394 174.572 174.900 0.109 0.000 1.170 193 G CA -0.334 44.854 45.100 0.146 0.000 0.769 193 G HN 0.071 nan 8.290 nan 0.000 0.546 194 W N 0.584 121.638 121.300 -0.409 0.000 2.257 194 W HA 0.243 4.903 4.660 -0.000 0.000 0.337 194 W C 1.373 177.637 176.519 -0.426 0.000 1.321 194 W CA -0.661 56.321 57.345 -0.604 0.000 1.267 194 W CB 0.323 29.035 29.460 -1.247 0.000 1.187 194 W HN -0.075 nan 8.180 nan 0.000 0.565 195 L N 2.950 124.124 121.223 -0.080 0.000 2.127 195 L HA -0.154 4.186 4.340 0.000 0.000 0.211 195 L C 2.317 179.214 176.870 0.044 0.000 1.089 195 L CA 1.583 56.414 54.840 -0.015 0.000 0.757 195 L CB -0.903 41.136 42.059 -0.034 0.000 0.899 195 L HN 0.812 nan 8.230 nan 0.000 0.434 196 G N -1.647 107.187 108.800 0.056 0.000 2.598 196 G HA2 -0.152 3.808 3.960 0.000 0.000 0.215 196 G HA3 -0.152 3.808 3.960 0.000 0.000 0.215 196 G C 0.352 175.423 174.900 0.284 0.000 1.131 196 G CA -0.178 45.012 45.100 0.150 0.000 0.785 196 G HN 0.095 nan 8.290 nan 0.000 0.539 197 Y N 1.856 122.221 120.300 0.108 0.000 2.425 197 Y HA 0.312 4.862 4.550 -0.000 0.000 0.331 197 Y C 1.320 177.242 175.900 0.035 0.000 1.157 197 Y CA -1.635 56.497 58.100 0.054 0.000 1.372 197 Y CB 0.554 39.040 38.460 0.044 0.000 1.253 197 Y HN 0.085 nan 8.280 nan 0.000 0.536 198 S N 0.943 116.734 115.700 0.153 0.000 2.589 198 S HA 0.046 4.516 4.470 0.000 0.000 0.265 198 S C 0.703 175.343 174.600 0.067 0.000 1.342 198 S CA -0.519 57.729 58.200 0.079 0.000 1.005 198 S CB 0.805 64.022 63.200 0.028 0.000 0.909 198 S HN 0.566 nan 8.310 nan 0.000 0.555 199 D N 1.222 121.647 120.400 0.042 0.000 2.123 199 D HA -0.118 4.522 4.640 0.000 0.000 0.196 199 D C 2.145 178.452 176.300 0.012 0.000 0.992 199 D CA 1.740 55.756 54.000 0.026 0.000 0.833 199 D CB -0.213 40.594 40.800 0.012 0.000 0.954 199 D HN 0.794 nan 8.370 nan 0.000 0.455 200 E N 1.010 121.210 120.200 -0.000 0.000 2.077 200 E HA -0.204 4.146 4.350 0.000 0.000 0.193 200 E C 1.938 178.518 176.600 -0.032 0.000 0.989 200 E CA 0.815 57.205 56.400 -0.016 0.000 0.800 200 E CB -0.470 29.217 29.700 -0.022 0.000 0.746 200 E HN 0.304 nan 8.360 nan 0.000 0.452 201 K N 1.046 121.416 120.400 -0.050 0.000 2.097 201 K HA -0.079 4.241 4.320 0.000 0.000 0.205 201 K C 2.302 178.865 176.600 -0.061 0.000 1.050 201 K CA 0.647 56.866 56.287 -0.113 0.000 0.938 201 K CB -0.067 32.296 32.500 -0.227 0.000 0.718 201 K HN 0.111 nan 8.250 nan 0.000 0.442 202 L N 1.581 122.817 121.223 0.022 0.000 1.994 202 L HA -0.134 4.206 4.340 0.000 0.000 0.208 202 L C 2.277 179.164 176.870 0.027 0.000 1.071 202 L CA 2.162 57.044 54.840 0.070 0.000 0.745 202 L CB -0.984 41.126 42.059 0.085 0.000 0.892 202 L HN 0.259 nan 8.230 nan 0.000 0.431 203 V N -1.505 118.413 119.914 0.007 0.000 2.427 203 V HA -0.211 3.909 4.120 0.000 0.000 0.248 203 V C 2.772 178.862 176.094 -0.005 0.000 1.051 203 V CA 1.792 64.092 62.300 0.001 0.000 1.048 203 V CB -1.055 30.766 31.823 -0.004 0.000 0.666 203 V HN 0.514 nan 8.190 nan 0.000 0.456 204 R N -0.299 120.188 120.500 -0.020 0.000 2.073 204 R HA -0.084 4.256 4.340 0.000 0.000 0.234 204 R C 2.180 178.462 176.300 -0.029 0.000 1.134 204 R CA 2.004 58.085 56.100 -0.030 0.000 0.952 204 R CB -0.341 29.927 30.300 -0.053 0.000 0.850 204 R HN 0.489 nan 8.270 nan 0.000 0.433 205 L N 0.561 121.761 121.223 -0.038 0.000 2.156 205 L HA 0.011 4.351 4.340 0.000 0.000 0.208 205 L C 2.426 179.296 176.870 0.000 0.000 1.095 205 L CA 1.768 56.589 54.840 -0.031 0.000 0.770 205 L CB -0.765 41.270 42.059 -0.040 0.000 0.914 205 L HN 0.286 nan 8.230 nan 0.000 0.439 206 A N -0.546 122.282 122.820 0.012 0.000 1.873 206 A HA -0.212 4.108 4.320 0.000 0.000 0.215 206 A C 2.361 179.963 177.584 0.029 0.000 1.186 206 A CA 1.589 53.641 52.037 0.024 0.000 0.616 206 A CB -0.365 18.649 19.000 0.023 0.000 0.823 206 A HN 0.348 nan 8.150 nan 0.000 0.442 207 K N -0.566 119.846 120.400 0.020 0.000 2.097 207 K HA -0.183 4.137 4.320 0.000 0.000 0.206 207 K C 2.130 178.748 176.600 0.030 0.000 1.049 207 K CA 1.518 57.819 56.287 0.024 0.000 0.933 207 K CB -0.129 32.379 32.500 0.013 0.000 0.717 207 K HN 0.730 nan 8.250 nan 0.000 0.442 208 E N 0.889 121.102 120.200 0.022 0.000 2.106 208 E HA -0.184 4.166 4.350 0.000 0.000 0.192 208 E C 1.946 178.586 176.600 0.067 0.000 0.984 208 E CA 0.961 57.379 56.400 0.030 0.000 0.806 208 E CB -0.025 29.681 29.700 0.010 0.000 0.750 208 E HN 0.292 nan 8.360 nan 0.000 0.458 209 A N 0.693 123.558 122.820 0.075 0.000 1.883 209 A HA -0.170 4.150 4.320 0.000 0.000 0.217 209 A C 2.437 180.150 177.584 0.217 0.000 1.186 209 A CA 1.712 53.839 52.037 0.151 0.000 0.624 209 A CB -0.879 18.151 19.000 0.049 0.000 0.822 209 A HN 0.234 nan 8.150 nan 0.000 0.444 210 V N -0.097 119.890 119.914 0.123 0.000 2.287 210 V HA -0.272 3.848 4.120 0.000 0.000 0.248 210 V C 3.062 179.176 176.094 0.033 0.000 1.053 210 V CA 2.013 64.366 62.300 0.088 0.000 1.027 210 V CB -1.322 30.542 31.823 0.068 0.000 0.646 210 V HN 0.636 nan 8.190 nan 0.000 0.447 211 A N -0.363 122.480 122.820 0.038 0.000 1.940 211 A HA -0.259 4.061 4.320 0.000 0.000 0.219 211 A C 1.891 179.459 177.584 -0.026 0.000 1.176 211 A CA 1.975 54.028 52.037 0.027 0.000 0.631 211 A CB -0.542 18.478 19.000 0.034 0.000 0.814 211 A HN 0.573 nan 8.150 nan 0.000 0.446 212 D N -1.422 118.953 120.400 -0.041 0.000 2.363 212 D HA 0.202 4.842 4.640 0.000 0.000 0.226 212 D C 1.375 177.298 176.300 -0.628 0.000 1.020 212 D CA 1.135 55.043 54.000 -0.153 0.000 0.892 212 D CB 0.121 40.958 40.800 0.061 0.000 0.900 212 D HN 0.647 nan 8.370 nan 0.000 0.531 213 G N 0.500 108.875 108.800 -0.709 0.000 2.179 213 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 213 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 213 G C 0.184 174.763 174.900 -0.535 0.000 0.990 213 G CA -0.551 43.896 45.100 -1.089 0.000 0.646 213 G HN 0.229 nan 8.290 nan 0.000 0.517 214 F N 0.967 120.813 119.950 -0.174 0.000 2.484 214 F HA 0.531 5.058 4.527 -0.000 0.000 0.360 214 F C 1.762 177.573 175.800 0.018 0.000 1.101 214 F CA -0.257 57.722 58.000 -0.034 0.000 1.251 214 F CB 0.768 39.782 39.000 0.024 0.000 1.132 214 F HN -0.147 nan 8.300 nan 0.000 0.570 215 R N 0.735 121.375 120.500 0.234 0.000 2.397 215 R HA 0.211 4.551 4.340 0.000 0.000 0.241 215 R C -0.433 175.995 176.300 0.213 0.000 0.914 215 R CA 0.219 56.426 56.100 0.179 0.000 1.071 215 R CB 0.348 30.727 30.300 0.132 0.000 1.116 215 R HN 0.546 nan 8.270 nan 0.000 0.524 216 T N 0.822 115.550 114.554 0.290 0.000 2.952 216 T HA 0.503 4.853 4.350 0.000 0.000 0.305 216 T C -0.814 174.037 174.700 0.252 0.000 1.064 216 T CA -0.420 61.833 62.100 0.256 0.000 1.008 216 T CB 2.353 71.418 68.868 0.329 0.000 1.078 216 T HN 0.007 nan 8.240 nan 0.000 0.459 217 I N 1.916 122.559 120.570 0.122 0.000 2.785 217 I HA 0.712 4.882 4.170 0.000 0.000 0.302 217 I C -1.299 174.814 176.117 -0.007 0.000 1.069 217 I CA -0.973 60.379 61.300 0.087 0.000 1.045 217 I CB 2.014 40.043 38.000 0.049 0.000 1.236 217 I HN 0.461 nan 8.210 nan 0.000 0.429 218 K N 7.302 127.718 120.400 0.027 0.000 2.443 218 K HA 0.612 4.932 4.320 0.000 0.000 0.252 218 K C -1.916 174.669 176.600 -0.026 0.000 0.933 218 K CA -0.629 55.616 56.287 -0.070 0.000 0.792 218 K CB 1.627 34.127 32.500 0.001 0.000 1.185 218 K HN 0.582 nan 8.250 nan 0.000 0.425 219 L N 3.098 124.282 121.223 -0.064 0.000 2.330 219 L HA 0.532 4.872 4.340 0.000 0.000 0.271 219 L C -0.152 176.686 176.870 -0.053 0.000 1.013 219 L CA -1.210 53.615 54.840 -0.025 0.000 0.816 219 L CB 1.833 43.884 42.059 -0.014 0.000 1.287 219 L HN 0.519 nan 8.230 nan 0.000 0.435 220 K N 1.321 121.690 120.400 -0.053 0.000 2.144 220 K HA 0.628 4.948 4.320 0.000 0.000 0.270 220 K C -0.562 176.010 176.600 -0.047 0.000 1.005 220 K CA -0.446 55.782 56.287 -0.097 0.000 0.932 220 K CB 2.029 34.439 32.500 -0.150 0.000 1.021 220 K HN 0.465 nan 8.250 nan 0.000 0.462 221 V N -2.723 117.147 119.914 -0.073 0.000 3.112 221 V HA 0.833 4.953 4.120 0.000 0.000 0.310 221 V C 0.424 176.449 176.094 -0.115 0.000 1.364 221 V CA 0.035 62.361 62.300 0.042 0.000 1.058 221 V CB 1.227 33.166 31.823 0.193 0.000 1.079 221 V HN 0.883 nan 8.190 nan 0.000 0.463 222 G N -0.956 107.846 108.800 0.004 0.000 2.316 222 G HA2 -0.021 3.939 3.960 0.000 0.000 0.203 222 G HA3 -0.021 3.939 3.960 0.000 0.000 0.203 222 G C 0.879 175.754 174.900 -0.041 0.000 0.999 222 G CA 1.060 45.946 45.100 -0.357 0.000 0.649 222 G HN 1.943 nan 8.290 nan 0.000 0.489 223 A N -0.239 122.706 122.820 0.208 0.000 1.887 223 A HA 0.465 4.785 4.320 0.000 0.000 0.212 223 A C 1.010 178.872 177.584 0.463 0.000 1.198 223 A CA 1.754 53.947 52.037 0.259 0.000 0.628 223 A CB 0.030 19.112 19.000 0.136 0.000 0.847 223 A HN 0.719 nan 8.150 nan 0.000 0.449 224 N N -0.266 118.735 118.700 0.501 0.000 2.500 224 N HA 0.272 5.012 4.740 0.000 0.000 0.291 224 N C 0.537 176.143 175.510 0.161 0.000 1.092 224 N CA -0.069 53.159 53.050 0.296 0.000 0.890 224 N CB 2.118 40.693 38.487 0.147 0.000 1.466 224 N HN -0.092 nan 8.380 nan 0.000 0.507 225 V N 3.050 122.731 119.914 -0.387 0.000 2.287 225 V HA -0.276 3.844 4.120 0.000 0.000 0.248 225 V C 2.334 178.269 176.094 -0.266 0.000 1.053 225 V CA 1.558 63.417 62.300 -0.734 0.000 1.027 225 V CB -0.448 30.671 31.823 -1.174 0.000 0.646 225 V HN 0.656 nan 8.190 nan 0.000 0.447 226 Q N 0.141 119.831 119.800 -0.184 0.000 2.077 226 Q HA -0.255 4.085 4.340 0.000 0.000 0.206 226 Q C 2.023 178.004 176.000 -0.031 0.000 0.989 226 Q CA 2.002 57.752 55.803 -0.089 0.000 0.853 226 Q CB -0.850 27.851 28.738 -0.062 0.000 0.907 226 Q HN 0.627 nan 8.270 nan 0.000 0.418 227 D N 1.064 121.468 120.400 0.006 0.000 2.104 227 D HA -0.132 4.508 4.640 0.000 0.000 0.194 227 D C 1.533 177.860 176.300 0.046 0.000 0.994 227 D CA 1.181 55.205 54.000 0.039 0.000 0.830 227 D CB -0.250 40.597 40.800 0.078 0.000 0.959 227 D HN 0.216 nan 8.370 nan 0.000 0.452 228 D N 0.162 120.625 120.400 0.105 0.000 2.123 228 D HA -0.099 4.541 4.640 0.000 0.000 0.196 228 D C 2.308 178.629 176.300 0.035 0.000 0.992 228 D CA 0.402 54.488 54.000 0.144 0.000 0.833 228 D CB -0.269 40.759 40.800 0.380 0.000 0.954 228 D HN 0.287 nan 8.370 nan 0.000 0.455 229 I N 0.467 121.049 120.570 0.020 0.000 2.179 229 I HA -0.253 3.917 4.170 0.000 0.000 0.242 229 I C 2.638 178.655 176.117 -0.167 0.000 1.088 229 I CA 0.947 62.262 61.300 0.025 0.000 1.357 229 I CB -0.174 37.880 38.000 0.090 0.000 1.051 229 I HN -0.068 nan 8.210 nan 0.000 0.409 230 R N 1.141 121.587 120.500 -0.092 0.000 2.081 230 R HA -0.156 4.184 4.340 0.000 0.000 0.235 230 R C 2.468 178.673 176.300 -0.159 0.000 1.131 230 R CA 1.491 57.528 56.100 -0.104 0.000 0.960 230 R CB -0.081 30.195 30.300 -0.040 0.000 0.856 230 R HN 0.222 nan 8.270 nan 0.000 0.436 231 R N -0.679 119.748 120.500 -0.122 0.000 2.092 231 R HA -0.073 4.267 4.340 0.000 0.000 0.231 231 R C 2.466 178.645 176.300 -0.203 0.000 1.119 231 R CA 1.512 57.549 56.100 -0.106 0.000 0.970 231 R CB -0.363 29.919 30.300 -0.030 0.000 0.864 231 R HN 0.288 nan 8.270 nan 0.000 0.440 232 C N -0.071 119.021 119.300 -0.347 0.000 2.440 232 C HA -0.019 4.441 4.460 0.000 0.000 0.278 232 C C 2.661 177.164 174.990 -0.810 0.000 1.295 232 C CA 0.412 59.121 59.018 -0.515 0.000 1.738 232 C CB -0.738 26.673 27.740 -0.549 0.000 1.987 232 C HN 0.479 nan 8.230 nan 0.000 0.492 233 R N 0.687 120.512 120.500 -1.125 0.000 2.073 233 R HA -0.102 4.238 4.340 0.000 0.000 0.234 233 R C 2.070 178.237 176.300 -0.222 0.000 1.134 233 R CA 1.543 57.245 56.100 -0.665 0.000 0.952 233 R CB -0.355 29.766 30.300 -0.298 0.000 0.850 233 R HN 0.477 nan 8.270 nan 0.000 0.433 234 L N 0.231 121.344 121.223 -0.185 0.000 2.083 234 L HA -0.112 4.228 4.340 0.000 0.000 0.209 234 L C 2.744 179.578 176.870 -0.060 0.000 1.083 234 L CA 1.244 56.034 54.840 -0.084 0.000 0.752 234 L CB -0.570 41.451 42.059 -0.064 0.000 0.899 234 L HN 0.349 nan 8.230 nan 0.000 0.433 235 A N 0.216 122.985 122.820 -0.084 0.000 1.873 235 A HA -0.236 4.084 4.320 0.000 0.000 0.215 235 A C 2.344 179.918 177.584 -0.017 0.000 1.186 235 A CA 1.689 53.701 52.037 -0.042 0.000 0.616 235 A CB -0.454 18.518 19.000 -0.047 0.000 0.823 235 A HN 0.279 nan 8.150 nan 0.000 0.442 236 R N 0.491 120.978 120.500 -0.021 0.000 2.080 236 R HA -0.082 4.258 4.340 0.000 0.000 0.236 236 R C 2.147 178.472 176.300 0.041 0.000 1.137 236 R CA 2.286 58.409 56.100 0.038 0.000 0.943 236 R CB -1.162 29.202 30.300 0.107 0.000 0.846 236 R HN 0.382 nan 8.270 nan 0.000 0.431 237 A N 0.274 123.114 122.820 0.032 0.000 1.883 237 A HA -0.041 4.279 4.320 0.000 0.000 0.217 237 A C 2.399 179.998 177.584 0.025 0.000 1.186 237 A CA 2.031 54.088 52.037 0.033 0.000 0.624 237 A CB -1.173 17.844 19.000 0.027 0.000 0.822 237 A HN 0.521 nan 8.150 nan 0.000 0.444 238 A N -1.266 121.562 122.820 0.015 0.000 2.019 238 A HA 0.016 4.336 4.320 0.000 0.000 0.219 238 A C 1.955 179.553 177.584 0.024 0.000 1.164 238 A CA 1.709 53.755 52.037 0.015 0.000 0.644 238 A CB -0.372 18.633 19.000 0.008 0.000 0.805 238 A HN 0.437 nan 8.150 nan 0.000 0.449 239 I N -2.288 118.299 120.570 0.029 0.000 3.081 239 I HA 0.324 4.494 4.170 0.000 0.000 0.274 239 I C 1.171 177.313 176.117 0.043 0.000 1.178 239 I CA 1.323 62.645 61.300 0.038 0.000 1.460 239 I CB 0.205 38.229 38.000 0.041 0.000 1.137 239 I HN 0.519 nan 8.210 nan 0.000 0.443 240 G N 0.888 109.714 108.800 0.043 0.000 2.663 240 G HA2 -0.108 3.852 3.960 0.000 0.000 0.686 240 G HA3 -0.108 3.852 3.960 0.000 0.000 0.686 240 G C -2.260 172.671 174.900 0.051 0.000 1.288 240 G CA -0.228 44.899 45.100 0.044 0.000 0.836 240 G HN 0.012 nan 8.290 nan 0.000 0.584 241 P HA 0.151 nan 4.420 nan 0.000 0.245 241 P C 0.225 177.557 177.300 0.053 0.000 1.212 241 P CA 1.024 64.155 63.100 0.052 0.000 0.774 241 P CB 0.311 32.039 31.700 0.046 0.000 0.999 242 D N -0.763 119.668 120.400 0.053 0.000 2.407 242 D HA 0.125 4.765 4.640 0.000 0.000 0.208 242 D C 0.754 177.094 176.300 0.067 0.000 1.083 242 D CA 0.183 54.217 54.000 0.057 0.000 0.844 242 D CB 0.547 41.377 40.800 0.051 0.000 0.967 242 D HN 0.153 nan 8.370 nan 0.000 0.506 243 I N 1.467 122.078 120.570 0.068 0.000 2.385 243 I HA 0.373 4.543 4.170 0.000 0.000 0.294 243 I C 0.625 176.787 176.117 0.076 0.000 0.988 243 I CA -1.215 60.133 61.300 0.080 0.000 1.265 243 I CB 1.048 39.095 38.000 0.077 0.000 1.388 243 I HN -0.201 nan 8.210 nan 0.000 0.480 244 A N 7.532 130.406 122.820 0.091 0.000 2.401 244 A HA 0.544 4.864 4.320 0.000 0.000 0.259 244 A C -0.125 177.466 177.584 0.012 0.000 1.103 244 A CA -0.343 51.736 52.037 0.071 0.000 0.789 244 A CB 0.512 19.586 19.000 0.122 0.000 1.035 244 A HN 0.813 nan 8.150 nan 0.000 0.491 245 M N 3.338 122.911 119.600 -0.044 0.000 2.067 245 M HA 0.579 5.059 4.480 0.000 0.000 0.286 245 M C -0.408 175.741 176.300 -0.252 0.000 0.922 245 M CA -0.241 54.995 55.300 -0.106 0.000 0.937 245 M CB 1.217 33.796 32.600 -0.035 0.000 1.550 245 M HN 0.826 nan 8.290 nan 0.000 0.433 246 A N 4.032 126.553 122.820 -0.499 0.000 2.281 246 A HA 0.897 5.217 4.320 0.000 0.000 0.329 246 A C -1.151 176.123 177.584 -0.517 0.000 1.122 246 A CA -0.622 50.891 52.037 -0.874 0.000 0.850 246 A CB 1.516 19.221 19.000 -2.158 0.000 1.207 246 A HN 0.633 nan 8.150 nan 0.000 0.495 247 V N 0.761 120.399 119.914 -0.460 0.000 2.876 247 V HA 0.479 4.599 4.120 0.000 0.000 0.312 247 V C -1.321 174.667 176.094 -0.178 0.000 1.085 247 V CA -0.535 61.641 62.300 -0.207 0.000 0.945 247 V CB 2.172 33.963 31.823 -0.053 0.000 1.017 247 V HN 0.958 nan 8.190 nan 0.000 0.428 248 D N 2.349 122.667 120.400 -0.137 0.000 2.549 248 D HA 0.584 5.224 4.640 0.000 0.000 0.251 248 D C 0.292 176.432 176.300 -0.267 0.000 1.153 248 D CA -0.166 53.748 54.000 -0.143 0.000 0.861 248 D CB 2.268 43.009 40.800 -0.099 0.000 1.207 248 D HN 0.581 nan 8.370 nan 0.000 0.543 249 A N 3.616 126.185 122.820 -0.417 0.000 2.238 249 A HA 0.083 4.403 4.320 0.000 0.000 0.210 249 A C 0.853 178.048 177.584 -0.648 0.000 1.179 249 A CA -0.091 51.464 52.037 -0.803 0.000 0.827 249 A CB -0.231 17.797 19.000 -1.620 0.000 0.856 249 A HN 0.745 nan 8.150 nan 0.000 0.488 250 N N 0.327 118.780 118.700 -0.412 0.000 2.714 250 N HA -0.255 4.485 4.740 0.000 0.000 0.252 250 N C -0.293 175.011 175.510 -0.343 0.000 1.014 250 N CA 1.237 54.084 53.050 -0.338 0.000 0.735 250 N CB -1.285 37.017 38.487 -0.308 0.000 0.924 250 N HN 0.789 nan 8.380 nan 0.000 0.540 251 Q N -3.462 116.136 119.800 -0.335 0.000 2.416 251 Q HA -0.298 4.042 4.340 0.000 0.000 0.235 251 Q C 1.057 176.875 176.000 -0.303 0.000 0.773 251 Q CA 1.652 57.299 55.803 -0.261 0.000 1.286 251 Q CB -1.061 27.574 28.738 -0.172 0.000 1.556 251 Q HN 0.588 nan 8.270 nan 0.000 0.650 252 R N -0.197 120.003 120.500 -0.501 0.000 2.092 252 R HA -0.067 4.273 4.340 0.000 0.000 0.231 252 R C 0.688 176.831 176.300 -0.262 0.000 1.119 252 R CA 1.241 57.065 56.100 -0.461 0.000 0.970 252 R CB 0.052 29.947 30.300 -0.675 0.000 0.864 252 R HN 0.219 nan 8.270 nan 0.000 0.440 253 W N 1.403 122.581 121.300 -0.203 0.000 2.332 253 W HA 0.280 4.940 4.660 -0.000 0.000 0.351 253 W C 0.054 176.497 176.519 -0.127 0.000 1.195 253 W CA -1.284 55.959 57.345 -0.170 0.000 1.334 253 W CB 0.013 29.348 29.460 -0.208 0.000 1.206 253 W HN -0.103 nan 8.180 nan 0.000 0.637 254 D N -0.608 119.893 120.400 0.168 0.000 2.388 254 D HA 0.208 4.848 4.640 0.000 0.000 0.254 254 D C 1.317 177.648 176.300 0.051 0.000 1.111 254 D CA -0.522 53.517 54.000 0.064 0.000 0.993 254 D CB 1.511 42.336 40.800 0.043 0.000 1.118 254 D HN -0.095 nan 8.370 nan 0.000 0.502 255 V N 0.874 120.792 119.914 0.007 0.000 2.231 255 V HA -0.188 3.932 4.120 0.000 0.000 0.248 255 V C 2.287 178.373 176.094 -0.013 0.000 1.054 255 V CA 2.515 64.809 62.300 -0.009 0.000 1.015 255 V CB -0.988 30.825 31.823 -0.018 0.000 0.638 255 V HN 0.759 nan 8.190 nan 0.000 0.444 256 G N 0.411 109.204 108.800 -0.012 0.000 2.514 256 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 256 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 256 G C -0.164 174.709 174.900 -0.045 0.000 1.198 256 G CA 1.309 46.395 45.100 -0.022 0.000 0.780 256 G HN 0.511 nan 8.290 nan 0.000 0.565 257 P HA -0.080 nan 4.420 nan 0.000 0.216 257 P C 2.223 179.357 177.300 -0.277 0.000 1.150 257 P CA 2.030 65.073 63.100 -0.096 0.000 0.843 257 P CB -0.162 31.517 31.700 -0.035 0.000 0.787 258 A N -0.801 121.856 122.820 -0.272 0.000 1.908 258 A HA -0.200 4.120 4.320 0.000 0.000 0.218 258 A C 2.199 179.629 177.584 -0.257 0.000 1.181 258 A CA 1.576 53.373 52.037 -0.400 0.000 0.627 258 A CB -1.610 17.429 19.000 0.065 0.000 0.818 258 A HN 0.121 nan 8.150 nan 0.000 0.445 259 I N -0.286 120.216 120.570 -0.113 0.000 2.202 259 I HA -0.220 3.950 4.170 0.000 0.000 0.242 259 I C 1.884 177.962 176.117 -0.066 0.000 1.091 259 I CA 1.458 62.723 61.300 -0.060 0.000 1.368 259 I CB -0.484 37.497 38.000 -0.032 0.000 1.058 259 I HN 0.231 nan 8.210 nan 0.000 0.410 260 D N 0.118 120.470 120.400 -0.080 0.000 2.117 260 D HA -0.221 4.419 4.640 0.000 0.000 0.197 260 D C 1.758 178.011 176.300 -0.078 0.000 0.987 260 D CA 0.998 54.953 54.000 -0.074 0.000 0.829 260 D CB -0.286 40.470 40.800 -0.075 0.000 0.961 260 D HN 0.427 nan 8.370 nan 0.000 0.460 261 W N 0.823 121.901 121.300 -0.370 0.000 2.380 261 W HA -0.119 4.541 4.660 -0.000 0.000 0.317 261 W C 1.850 178.205 176.519 -0.273 0.000 1.196 261 W CA 0.757 57.846 57.345 -0.426 0.000 1.307 261 W CB -0.330 28.570 29.460 -0.933 0.000 1.157 261 W HN -0.047 nan 8.180 nan 0.000 0.483 262 M N 0.344 119.983 119.600 0.064 0.000 2.213 262 M HA -0.168 4.312 4.480 0.000 0.000 0.263 262 M C 1.941 178.285 176.300 0.073 0.000 1.062 262 M CA 1.435 56.805 55.300 0.116 0.000 1.105 262 M CB -1.514 31.141 32.600 0.091 0.000 1.385 262 M HN -0.037 nan 8.290 nan 0.000 0.417 263 R N 0.063 120.572 120.500 0.016 0.000 2.241 263 R HA -0.112 4.228 4.340 0.000 0.000 0.224 263 R C 1.891 178.176 176.300 -0.025 0.000 1.101 263 R CA 1.011 57.106 56.100 -0.008 0.000 0.995 263 R CB -0.010 30.274 30.300 -0.027 0.000 0.870 263 R HN 0.526 nan 8.270 nan 0.000 0.463 264 Q N -0.809 118.978 119.800 -0.021 0.000 2.425 264 Q HA 0.083 4.423 4.340 0.000 0.000 0.204 264 Q C 1.042 177.069 176.000 0.045 0.000 0.933 264 Q CA 0.469 56.251 55.803 -0.034 0.000 0.939 264 Q CB 0.591 29.272 28.738 -0.096 0.000 1.044 264 Q HN 0.343 nan 8.270 nan 0.000 0.513 265 L N -1.051 120.241 121.223 0.115 0.000 2.701 265 L HA 0.294 4.634 4.340 0.000 0.000 0.238 265 L C 2.074 179.020 176.870 0.126 0.000 1.106 265 L CA 0.069 55.072 54.840 0.270 0.000 0.898 265 L CB -0.059 42.207 42.059 0.344 0.000 1.188 265 L HN 0.088 nan 8.230 nan 0.000 0.508 266 A N 1.763 124.591 122.820 0.014 0.000 1.948 266 A HA -0.268 4.052 4.320 0.000 0.000 0.220 266 A C 2.148 179.663 177.584 -0.114 0.000 1.177 266 A CA 2.207 54.233 52.037 -0.019 0.000 0.636 266 A CB -0.489 18.495 19.000 -0.025 0.000 0.815 266 A HN 0.662 nan 8.150 nan 0.000 0.449 267 E N -1.066 118.947 120.200 -0.312 0.000 2.267 267 E HA -0.178 4.172 4.350 0.000 0.000 0.197 267 E C 1.095 177.420 176.600 -0.459 0.000 0.998 267 E CA 1.244 57.375 56.400 -0.448 0.000 0.830 267 E CB -0.543 28.770 29.700 -0.646 0.000 0.751 267 E HN 0.703 nan 8.360 nan 0.000 0.491 268 F N 1.273 121.234 119.950 0.018 0.000 2.773 268 F HA 0.141 4.668 4.527 0.000 0.000 0.304 268 F C 0.039 175.848 175.800 0.016 0.000 1.129 268 F CA -0.016 57.994 58.000 0.017 0.000 1.378 268 F CB 0.114 39.125 39.000 0.019 0.000 1.095 268 F HN -0.122 nan 8.300 nan 0.000 0.565 269 D N 1.972 122.432 120.400 0.100 0.000 3.437 269 D HA -0.185 4.455 4.640 0.000 0.000 0.243 269 D C -0.569 175.783 176.300 0.087 0.000 1.104 269 D CA 0.142 54.189 54.000 0.078 0.000 1.009 269 D CB -0.706 40.138 40.800 0.073 0.000 0.937 269 D HN -0.016 nan 8.370 nan 0.000 0.417 270 I N 1.887 122.506 120.570 0.081 0.000 2.416 270 I HA 0.288 4.458 4.170 0.000 0.000 0.288 270 I C 2.051 178.191 176.117 0.039 0.000 1.051 270 I CA 0.141 61.471 61.300 0.052 0.000 1.375 270 I CB 0.461 38.505 38.000 0.073 0.000 1.407 270 I HN 0.406 nan 8.210 nan 0.000 0.516 271 A N 7.275 130.078 122.820 -0.028 0.000 1.930 271 A HA -0.024 4.296 4.320 0.000 0.000 0.217 271 A C 0.381 178.103 177.584 0.229 0.000 1.175 271 A CA 1.191 53.259 52.037 0.051 0.000 0.627 271 A CB -0.120 18.825 19.000 -0.092 0.000 0.815 271 A HN 0.876 nan 8.150 nan 0.000 0.443 272 W N -3.994 117.272 121.300 -0.057 0.000 3.370 272 W HA 0.498 5.158 4.660 0.000 0.000 0.304 272 W C -1.887 174.620 176.519 -0.020 0.000 1.161 272 W CA -1.574 55.736 57.345 -0.059 0.000 1.132 272 W CB -0.205 29.163 29.460 -0.153 0.000 1.377 272 W HN 0.166 nan 8.180 nan 0.000 0.568 273 I N 2.727 123.451 120.570 0.256 0.000 2.339 273 I HA 0.474 4.644 4.170 0.000 0.000 0.290 273 I C -0.321 175.981 176.117 0.309 0.000 0.994 273 I CA -0.793 60.614 61.300 0.179 0.000 1.191 273 I CB 1.253 39.379 38.000 0.211 0.000 1.343 273 I HN 0.564 nan 8.210 nan 0.000 0.458 274 E N 6.335 126.679 120.200 0.240 0.000 2.216 274 E HA 0.250 4.600 4.350 0.000 0.000 0.279 274 E C -0.535 176.107 176.600 0.070 0.000 0.997 274 E CA -0.287 56.264 56.400 0.251 0.000 0.817 274 E CB 0.589 30.477 29.700 0.314 0.000 1.096 274 E HN 0.641 nan 8.360 nan 0.000 0.393 275 E N 3.185 123.440 120.200 0.091 0.000 2.183 275 E HA -0.181 4.169 4.350 0.000 0.000 0.196 275 E C -1.823 174.749 176.600 -0.047 0.000 1.364 275 E CA 0.157 56.596 56.400 0.064 0.000 0.700 275 E CB -0.506 29.152 29.700 -0.070 0.000 1.106 275 E HN 0.577 nan 8.360 nan 0.000 0.347 276 P HA -0.165 nan 4.420 nan 0.000 0.218 276 P C 0.855 178.072 177.300 -0.138 0.000 1.149 276 P CA 1.374 64.445 63.100 -0.049 0.000 0.817 276 P CB 0.419 32.217 31.700 0.165 0.000 0.785 277 T N -1.948 112.471 114.554 -0.224 0.000 2.591 277 T HA 0.336 4.686 4.350 0.000 0.000 0.274 277 T C -0.747 173.893 174.700 -0.100 0.000 0.945 277 T CA -0.481 61.500 62.100 -0.199 0.000 1.087 277 T CB 0.903 69.624 68.868 -0.244 0.000 1.416 277 T HN -0.122 nan 8.240 nan 0.000 0.514 278 S N 1.975 117.636 115.700 -0.065 0.000 2.573 278 S HA 0.116 4.587 4.470 0.000 0.000 0.297 278 S C -1.366 173.293 174.600 0.100 0.000 1.280 278 S CA -0.630 57.568 58.200 -0.004 0.000 1.061 278 S CB 0.561 63.751 63.200 -0.016 0.000 0.812 278 S HN 0.531 nan 8.310 nan 0.000 0.500 279 P HA 0.038 nan 4.420 nan 0.000 0.234 279 P C 0.002 177.281 177.300 -0.035 0.000 1.167 279 P CA 0.634 63.749 63.100 0.026 0.000 0.763 279 P CB 0.109 31.817 31.700 0.013 0.000 0.835 280 D N -0.942 119.450 120.400 -0.013 0.000 2.389 280 D HA 0.001 4.641 4.640 0.000 0.000 0.206 280 D C 0.318 176.610 176.300 -0.013 0.000 1.055 280 D CA 0.428 54.401 54.000 -0.045 0.000 0.856 280 D CB -0.159 40.610 40.800 -0.052 0.000 0.957 280 D HN 0.071 nan 8.370 nan 0.000 0.509 281 D N 1.307 121.738 120.400 0.053 0.000 2.517 281 D HA 0.046 4.686 4.640 0.000 0.000 0.220 281 D C 1.457 177.853 176.300 0.161 0.000 1.158 281 D CA -0.150 53.893 54.000 0.071 0.000 0.992 281 D CB 0.696 41.513 40.800 0.027 0.000 1.058 281 D HN -0.210 nan 8.370 nan 0.000 0.516 282 V N 3.158 123.106 119.914 0.057 0.000 2.261 282 V HA -0.248 3.872 4.120 0.000 0.000 0.246 282 V C 2.538 178.670 176.094 0.064 0.000 1.047 282 V CA 1.304 63.624 62.300 0.034 0.000 1.015 282 V CB -0.377 31.427 31.823 -0.031 0.000 0.642 282 V HN 0.556 nan 8.190 nan 0.000 0.446 283 L N 0.373 121.617 121.223 0.035 0.000 2.141 283 L HA -0.055 4.285 4.340 0.000 0.000 0.209 283 L C 2.596 179.488 176.870 0.036 0.000 1.094 283 L CA 1.506 56.364 54.840 0.030 0.000 0.763 283 L CB -1.105 40.962 42.059 0.012 0.000 0.908 283 L HN 0.486 nan 8.230 nan 0.000 0.437 284 G N -1.356 107.462 108.800 0.029 0.000 2.408 284 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 284 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 284 G C 1.409 176.293 174.900 -0.027 0.000 1.150 284 G CA 0.267 45.356 45.100 -0.018 0.000 0.776 284 G HN 0.375 nan 8.290 nan 0.000 0.542 285 H N 0.613 119.685 119.070 0.003 0.000 2.389 285 H HA 0.020 4.576 4.556 -0.000 0.000 0.299 285 H C 2.923 178.262 175.328 0.018 0.000 1.081 285 H CA 1.119 57.175 56.048 0.012 0.000 1.345 285 H CB -0.020 29.738 29.762 -0.006 0.000 1.393 285 H HN 0.405 nan 8.280 nan 0.000 0.520 286 A N 1.167 124.064 122.820 0.129 0.000 1.898 286 A HA -0.061 4.259 4.320 0.000 0.000 0.216 286 A C 2.697 180.315 177.584 0.057 0.000 1.181 286 A CA 1.460 53.545 52.037 0.079 0.000 0.620 286 A CB -0.707 18.327 19.000 0.057 0.000 0.819 286 A HN 0.417 nan 8.150 nan 0.000 0.442 287 A N 0.039 122.883 122.820 0.040 0.000 1.877 287 A HA -0.094 4.226 4.320 0.000 0.000 0.216 287 A C 2.130 179.728 177.584 0.024 0.000 1.186 287 A CA 1.568 53.620 52.037 0.024 0.000 0.620 287 A CB -0.629 18.377 19.000 0.010 0.000 0.822 287 A HN 0.495 nan 8.150 nan 0.000 0.443 288 I N -1.099 119.484 120.570 0.023 0.000 2.142 288 I HA -0.264 3.906 4.170 0.000 0.000 0.240 288 I C 2.725 178.873 176.117 0.052 0.000 1.078 288 I CA 1.699 63.016 61.300 0.029 0.000 1.343 288 I CB -0.374 37.639 38.000 0.022 0.000 1.046 288 I HN 0.365 nan 8.210 nan 0.000 0.405 289 R N 0.876 121.418 120.500 0.071 0.000 2.096 289 R HA -0.254 4.086 4.340 0.000 0.000 0.240 289 R C 2.292 178.626 176.300 0.056 0.000 1.139 289 R CA 1.942 58.088 56.100 0.076 0.000 0.952 289 R CB -0.219 30.131 30.300 0.084 0.000 0.854 289 R HN 0.461 nan 8.270 nan 0.000 0.436 290 Q N -1.296 118.532 119.800 0.046 0.000 2.119 290 Q HA -0.086 4.254 4.340 0.000 0.000 0.201 290 Q C 1.920 177.937 176.000 0.028 0.000 0.972 290 Q CA 1.371 57.195 55.803 0.036 0.000 0.847 290 Q CB -0.057 28.699 28.738 0.030 0.000 0.903 290 Q HN 0.547 nan 8.270 nan 0.000 0.433 291 G N 0.909 109.724 108.800 0.025 0.000 2.650 291 G HA2 -0.049 3.911 3.960 0.000 0.000 0.214 291 G HA3 -0.049 3.911 3.960 0.000 0.000 0.214 291 G C 1.243 176.152 174.900 0.016 0.000 1.136 291 G CA 0.365 45.474 45.100 0.015 0.000 0.789 291 G HN 0.483 nan 8.290 nan 0.000 0.536 292 I N -1.103 119.485 120.570 0.029 0.000 4.050 292 I HA 0.274 4.444 4.170 0.000 0.000 0.327 292 I C 0.549 176.689 176.117 0.039 0.000 1.473 292 I CA -0.443 60.877 61.300 0.033 0.000 1.124 292 I CB -0.141 37.888 38.000 0.049 0.000 1.129 292 I HN -0.079 nan 8.210 nan 0.000 0.428 293 T N 1.128 115.704 114.554 0.036 0.000 2.939 293 T HA 0.107 4.457 4.350 0.000 0.000 0.312 293 T C -0.977 173.741 174.700 0.031 0.000 1.064 293 T CA -0.529 61.594 62.100 0.038 0.000 1.136 293 T CB 0.049 68.937 68.868 0.033 0.000 1.035 293 T HN 0.317 nan 8.240 nan 0.000 0.538 294 P HA 0.222 nan 4.420 nan 0.000 0.258 294 P C -0.246 177.090 177.300 0.061 0.000 1.416 294 P CA -0.429 62.699 63.100 0.046 0.000 0.927 294 P CB -0.024 31.701 31.700 0.041 0.000 1.444 295 V N 3.277 123.230 119.914 0.065 0.000 2.458 295 V HA 0.058 4.178 4.120 0.000 0.000 0.287 295 V C -1.973 174.184 176.094 0.106 0.000 1.009 295 V CA -0.887 61.465 62.300 0.087 0.000 1.091 295 V CB -0.241 31.636 31.823 0.090 0.000 0.960 295 V HN 0.148 nan 8.190 nan 0.000 0.476 296 P HA 0.238 nan 4.420 nan 0.000 0.271 296 P C -0.652 176.751 177.300 0.172 0.000 1.218 296 P CA -0.050 63.130 63.100 0.133 0.000 0.780 296 P CB 0.738 32.521 31.700 0.138 0.000 0.901 297 V N 2.148 122.140 119.914 0.130 0.000 2.581 297 V HA 0.668 4.788 4.120 0.000 0.000 0.303 297 V C 0.264 176.402 176.094 0.073 0.000 1.041 297 V CA -0.263 62.129 62.300 0.152 0.000 0.907 297 V CB 1.694 33.612 31.823 0.157 0.000 0.994 297 V HN 0.763 nan 8.190 nan 0.000 0.442 298 S N 2.564 118.314 115.700 0.084 0.000 2.651 298 S HA 0.916 5.386 4.470 0.000 0.000 0.279 298 S C -0.744 173.846 174.600 -0.018 0.000 1.148 298 S CA -0.298 57.868 58.200 -0.057 0.000 0.837 298 S CB 2.516 65.531 63.200 -0.308 0.000 1.138 298 S HN 1.013 nan 8.310 nan 0.000 0.478 299 T N -1.310 113.192 114.554 -0.087 0.000 2.700 299 T HA 0.644 4.994 4.350 0.000 0.000 0.307 299 T C 0.296 174.961 174.700 -0.058 0.000 1.580 299 T CA 0.471 62.499 62.100 -0.121 0.000 0.992 299 T CB 0.644 69.281 68.868 -0.385 0.000 1.577 299 T HN 2.201 nan 8.240 nan 0.000 0.496 300 G N 1.087 109.849 108.800 -0.062 0.000 3.110 300 G HA2 -0.111 3.849 3.960 0.000 0.000 0.205 300 G HA3 -0.111 3.849 3.960 0.000 0.000 0.205 300 G C 0.782 175.751 174.900 0.114 0.000 1.019 300 G CA 1.012 46.162 45.100 0.084 0.000 0.826 300 G HN 0.943 nan 8.290 nan 0.000 0.481 301 E N -0.023 120.174 120.200 -0.006 0.000 2.268 301 E HA -0.085 4.265 4.350 0.000 0.000 0.195 301 E C 1.519 178.159 176.600 0.066 0.000 0.995 301 E CA 1.317 57.650 56.400 -0.111 0.000 0.836 301 E CB -0.175 29.169 29.700 -0.595 0.000 0.763 301 E HN 0.475 nan 8.360 nan 0.000 0.491 302 H N -0.006 118.980 119.070 -0.141 0.000 2.893 302 H HA 0.254 4.810 4.556 -0.000 0.000 0.270 302 H C -0.436 174.810 175.328 -0.137 0.000 1.095 302 H CA -0.164 55.810 56.048 -0.123 0.000 1.186 302 H CB 0.743 30.429 29.762 -0.127 0.000 1.562 302 H HN -0.026 nan 8.280 nan 0.000 0.536 303 T N 2.496 116.989 114.554 -0.101 0.000 2.829 303 T HA -0.052 4.298 4.350 0.000 0.000 0.293 303 T C 1.575 176.176 174.700 -0.165 0.000 0.970 303 T CA -0.074 61.830 62.100 -0.326 0.000 1.168 303 T CB 0.903 69.199 68.868 -0.954 0.000 0.911 303 T HN 0.538 nan 8.240 nan 0.000 0.535 304 Q N 3.318 123.030 119.800 -0.146 0.000 2.096 304 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 304 Q C 0.507 176.540 176.000 0.055 0.000 0.982 304 Q CA 1.285 57.059 55.803 -0.049 0.000 0.850 304 Q CB -0.235 28.446 28.738 -0.095 0.000 0.901 304 Q HN 0.802 nan 8.270 nan 0.000 0.422 305 N N -1.351 117.372 118.700 0.039 0.000 3.179 305 N HA 0.081 4.821 4.740 0.000 0.000 0.250 305 N C -0.006 175.648 175.510 0.239 0.000 1.507 305 N CA -0.553 52.592 53.050 0.157 0.000 0.883 305 N CB 0.363 38.880 38.487 0.050 0.000 1.435 305 N HN 0.065 nan 8.380 nan 0.000 0.532 306 R N -0.597 120.045 120.500 0.238 0.000 2.193 306 R HA -0.013 4.327 4.340 0.000 0.000 0.229 306 R C 0.412 176.808 176.300 0.161 0.000 1.110 306 R CA 1.539 57.777 56.100 0.229 0.000 0.988 306 R CB -0.872 29.490 30.300 0.102 0.000 0.871 306 R HN 0.320 nan 8.270 nan 0.000 0.458 307 V N 1.141 121.108 119.914 0.090 0.000 2.453 307 V HA -0.147 3.973 4.120 0.000 0.000 0.247 307 V C 2.442 178.524 176.094 -0.021 0.000 1.048 307 V CA 1.268 63.586 62.300 0.030 0.000 1.049 307 V CB -0.046 31.755 31.823 -0.037 0.000 0.672 307 V HN 0.159 nan 8.190 nan 0.000 0.457 308 V N -0.842 119.033 119.914 -0.066 0.000 2.453 308 V HA -0.173 3.947 4.120 0.000 0.000 0.247 308 V C 2.167 178.163 176.094 -0.163 0.000 1.048 308 V CA 1.823 64.030 62.300 -0.154 0.000 1.049 308 V CB -0.739 30.936 31.823 -0.245 0.000 0.672 308 V HN 0.429 nan 8.190 nan 0.000 0.457 309 F N 0.660 120.554 119.950 -0.093 0.000 2.134 309 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 309 F C 2.509 178.209 175.800 -0.166 0.000 1.097 309 F CA 2.090 60.019 58.000 -0.118 0.000 1.264 309 F CB -0.240 38.703 39.000 -0.094 0.000 1.001 309 F HN 0.022 nan 8.300 nan 0.000 0.479 310 K N 0.467 120.893 120.400 0.044 0.000 2.044 310 K HA -0.274 4.046 4.320 0.000 0.000 0.210 310 K C 1.988 178.505 176.600 -0.138 0.000 1.049 310 K CA 1.973 58.211 56.287 -0.081 0.000 0.927 310 K CB -0.255 32.241 32.500 -0.007 0.000 0.713 310 K HN 0.329 nan 8.250 nan 0.000 0.443 311 Q N -0.014 119.736 119.800 -0.084 0.000 2.119 311 Q HA -0.126 4.214 4.340 0.000 0.000 0.201 311 Q C 2.080 178.025 176.000 -0.092 0.000 0.972 311 Q CA 0.839 56.595 55.803 -0.078 0.000 0.847 311 Q CB 0.029 28.727 28.738 -0.066 0.000 0.903 311 Q HN 0.208 nan 8.270 nan 0.000 0.433 312 L N 0.034 121.190 121.223 -0.112 0.000 2.012 312 L HA -0.197 4.143 4.340 0.000 0.000 0.210 312 L C 2.031 178.839 176.870 -0.104 0.000 1.073 312 L CA 1.620 56.396 54.840 -0.106 0.000 0.748 312 L CB -0.970 41.013 42.059 -0.126 0.000 0.891 312 L HN 0.252 nan 8.230 nan 0.000 0.431 313 L N -1.179 119.926 121.223 -0.197 0.000 2.056 313 L HA -0.162 4.178 4.340 0.000 0.000 0.207 313 L C 2.582 179.314 176.870 -0.229 0.000 1.078 313 L CA 1.393 56.031 54.840 -0.336 0.000 0.749 313 L CB -0.981 40.567 42.059 -0.851 0.000 0.901 313 L HN 0.328 nan 8.230 nan 0.000 0.433 314 Q N -0.937 118.737 119.800 -0.210 0.000 2.084 314 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 314 Q C 2.093 178.135 176.000 0.070 0.000 0.978 314 Q CA 1.612 57.438 55.803 0.038 0.000 0.844 314 Q CB -0.245 28.510 28.738 0.029 0.000 0.898 314 Q HN 0.549 nan 8.270 nan 0.000 0.426 315 A N -0.098 122.734 122.820 0.020 0.000 2.208 315 A HA 0.257 4.577 4.320 0.000 0.000 0.209 315 A C 1.277 178.888 177.584 0.044 0.000 1.161 315 A CA 0.647 52.703 52.037 0.032 0.000 0.782 315 A CB -0.332 18.677 19.000 0.015 0.000 0.816 315 A HN 0.434 nan 8.150 nan 0.000 0.477 316 G N -1.248 107.581 108.800 0.049 0.000 2.314 316 G HA2 -0.027 3.933 3.960 0.000 0.000 0.292 316 G HA3 -0.027 3.933 3.960 0.000 0.000 0.292 316 G C 0.778 175.707 174.900 0.048 0.000 1.059 316 G CA 0.481 45.618 45.100 0.062 0.000 0.982 316 G HN 1.375 nan 8.290 nan 0.000 0.505 317 A N -1.418 121.419 122.820 0.029 0.000 2.178 317 A HA 0.600 4.920 4.320 0.000 0.000 0.211 317 A C 1.299 178.908 177.584 0.041 0.000 1.157 317 A CA 1.646 53.710 52.037 0.045 0.000 0.780 317 A CB 0.250 19.268 19.000 0.032 0.000 0.828 317 A HN 1.928 nan 8.150 nan 0.000 0.476 318 V N -3.926 115.998 119.914 0.016 0.000 2.962 318 V HA 0.615 4.735 4.120 0.000 0.000 0.313 318 V C -0.387 175.718 176.094 0.020 0.000 1.099 318 V CA -0.541 61.763 62.300 0.007 0.000 0.971 318 V CB 1.778 33.581 31.823 -0.033 0.000 1.028 318 V HN 0.134 nan 8.190 nan 0.000 0.430 319 D N 1.745 122.150 120.400 0.009 0.000 2.338 319 D HA 0.395 5.035 4.640 0.000 0.000 0.208 319 D C 0.111 176.401 176.300 -0.017 0.000 0.997 319 D CA 1.168 55.176 54.000 0.014 0.000 0.880 319 D CB 0.493 41.308 40.800 0.026 0.000 0.980 319 D HN 0.711 nan 8.370 nan 0.000 0.509 320 L N -1.596 119.578 121.223 -0.082 0.000 2.671 320 L HA 0.579 4.919 4.340 0.000 0.000 0.259 320 L C -1.513 175.279 176.870 -0.130 0.000 1.021 320 L CA -1.405 53.369 54.840 -0.109 0.000 0.871 320 L CB 1.470 43.374 42.059 -0.258 0.000 1.472 320 L HN -0.099 nan 8.230 nan 0.000 0.410 321 I N -1.701 118.836 120.570 -0.055 0.000 3.074 321 I HA 0.806 4.976 4.170 0.000 0.000 0.310 321 I C -1.013 175.129 176.117 0.041 0.000 1.153 321 I CA -0.780 60.523 61.300 0.006 0.000 0.993 321 I CB 2.290 40.365 38.000 0.124 0.000 1.237 321 I HN 0.738 nan 8.210 nan 0.000 0.443 322 Q N 3.007 122.870 119.800 0.104 0.000 2.204 322 Q HA 0.775 5.115 4.340 0.000 0.000 0.254 322 Q C -0.793 175.312 176.000 0.175 0.000 0.981 322 Q CA -0.506 55.391 55.803 0.157 0.000 0.897 322 Q CB 2.354 31.199 28.738 0.179 0.000 1.273 322 Q HN 0.697 nan 8.270 nan 0.000 0.464 323 I N -2.961 117.693 120.570 0.140 0.000 2.865 323 I HA 0.728 4.898 4.170 0.000 0.000 0.302 323 I C -1.301 174.902 176.117 0.143 0.000 1.140 323 I CA -1.082 60.267 61.300 0.082 0.000 1.021 323 I CB 2.676 40.636 38.000 -0.068 0.000 1.233 323 I HN 0.429 nan 8.210 nan 0.000 0.427 324 D N 2.915 123.400 120.400 0.141 0.000 2.649 324 D HA 0.654 5.294 4.640 0.000 0.000 0.249 324 D C 0.659 177.015 176.300 0.095 0.000 1.112 324 D CA -0.404 53.692 54.000 0.160 0.000 0.850 324 D CB 2.527 43.437 40.800 0.184 0.000 1.399 324 D HN 0.750 nan 8.370 nan 0.000 0.503 325 A N 3.056 125.918 122.820 0.070 0.000 2.019 325 A HA 0.120 4.440 4.320 0.000 0.000 0.219 325 A C 1.667 179.258 177.584 0.011 0.000 1.164 325 A CA 1.648 53.706 52.037 0.034 0.000 0.644 325 A CB -0.299 18.697 19.000 -0.006 0.000 0.805 325 A HN 0.596 nan 8.150 nan 0.000 0.449 326 A N -1.703 121.138 122.820 0.034 0.000 2.508 326 A HA 0.404 4.724 4.320 0.000 0.000 0.257 326 A C 1.690 179.294 177.584 0.032 0.000 1.226 326 A CA 0.556 52.609 52.037 0.026 0.000 0.947 326 A CB -0.059 18.971 19.000 0.051 0.000 1.079 326 A HN 0.315 nan 8.150 nan 0.000 0.531 327 R N 0.140 120.671 120.500 0.052 0.000 2.173 327 R HA 0.095 4.435 4.340 0.000 0.000 0.208 327 R C 0.879 177.202 176.300 0.039 0.000 1.035 327 R CA 1.653 57.777 56.100 0.040 0.000 1.004 327 R CB -0.494 29.848 30.300 0.069 0.000 0.917 327 R HN 0.446 nan 8.270 nan 0.000 0.462 328 V N -3.442 116.494 119.914 0.037 0.000 3.547 328 V HA 0.631 4.751 4.120 0.000 0.000 0.289 328 V C 0.985 176.953 176.094 -0.210 0.000 1.226 328 V CA -0.515 61.804 62.300 0.032 0.000 0.966 328 V CB 0.459 32.359 31.823 0.128 0.000 1.255 328 V HN 0.004 nan 8.190 nan 0.000 0.466 329 G N -0.227 108.432 108.800 -0.235 0.000 3.397 329 G HA2 0.525 4.485 3.960 0.000 0.000 0.248 329 G HA3 0.525 4.485 3.960 0.000 0.000 0.248 329 G C 0.779 175.616 174.900 -0.105 0.000 1.284 329 G CA 0.649 45.541 45.100 -0.347 0.000 1.570 329 G HN 1.938 nan 8.290 nan 0.000 0.587 330 G N -0.843 107.910 108.800 -0.077 0.000 2.698 330 G HA2 -0.220 3.740 3.960 0.000 0.000 0.233 330 G HA3 -0.220 3.740 3.960 0.000 0.000 0.233 330 G C 1.024 175.881 174.900 -0.072 0.000 1.352 330 G CA -0.300 44.793 45.100 -0.012 0.000 0.879 330 G HN 0.657 nan 8.290 nan 0.000 0.567 331 V N 0.600 120.393 119.914 -0.202 0.000 2.282 331 V HA -0.293 3.827 4.120 0.000 0.000 0.249 331 V C 2.810 178.678 176.094 -0.376 0.000 1.057 331 V CA 3.228 65.213 62.300 -0.524 0.000 1.032 331 V CB -1.048 29.852 31.823 -1.539 0.000 0.645 331 V HN 0.737 nan 8.190 nan 0.000 0.447 332 N N 0.252 118.866 118.700 -0.142 0.000 2.060 332 N HA -0.251 4.489 4.740 0.000 0.000 0.195 332 N C 1.864 177.355 175.510 -0.032 0.000 1.028 332 N CA 1.930 55.006 53.050 0.043 0.000 0.861 332 N CB -0.339 38.269 38.487 0.202 0.000 1.029 332 N HN 0.686 nan 8.380 nan 0.000 0.428 333 E N 0.146 120.332 120.200 -0.024 0.000 2.107 333 E HA -0.046 4.304 4.350 0.000 0.000 0.191 333 E C 1.337 177.893 176.600 -0.073 0.000 0.982 333 E CA 0.756 57.144 56.400 -0.020 0.000 0.809 333 E CB 0.056 29.783 29.700 0.045 0.000 0.756 333 E HN 0.286 nan 8.360 nan 0.000 0.459 334 N N 0.361 118.999 118.700 -0.103 0.000 2.223 334 N HA -0.129 4.611 4.740 0.000 0.000 0.185 334 N C 1.878 177.294 175.510 -0.157 0.000 1.016 334 N CA 0.798 53.763 53.050 -0.141 0.000 0.863 334 N CB -0.088 38.326 38.487 -0.122 0.000 0.983 334 N HN 0.257 nan 8.380 nan 0.000 0.429 335 L N 0.637 121.768 121.223 -0.153 0.000 2.046 335 L HA -0.129 4.211 4.340 0.000 0.000 0.208 335 L C 2.455 179.260 176.870 -0.108 0.000 1.077 335 L CA 1.164 55.930 54.840 -0.124 0.000 0.747 335 L CB -0.515 41.479 42.059 -0.108 0.000 0.896 335 L HN 0.100 nan 8.230 nan 0.000 0.432 336 A N 0.262 123.007 122.820 -0.126 0.000 1.930 336 A HA -0.154 4.166 4.320 0.000 0.000 0.217 336 A C 2.198 179.712 177.584 -0.117 0.000 1.175 336 A CA 1.439 53.395 52.037 -0.134 0.000 0.627 336 A CB -0.597 18.304 19.000 -0.165 0.000 0.815 336 A HN 0.350 nan 8.150 nan 0.000 0.443 337 I N -0.431 120.035 120.570 -0.174 0.000 2.252 337 I HA -0.235 3.935 4.170 0.000 0.000 0.245 337 I C 2.344 178.322 176.117 -0.232 0.000 1.102 337 I CA 0.942 62.066 61.300 -0.293 0.000 1.385 337 I CB -0.275 37.371 38.000 -0.591 0.000 1.064 337 I HN 0.277 nan 8.210 nan 0.000 0.414 338 L N 0.011 121.129 121.223 -0.175 0.000 2.046 338 L HA -0.221 4.119 4.340 0.000 0.000 0.208 338 L C 2.511 179.354 176.870 -0.044 0.000 1.077 338 L CA 1.369 56.145 54.840 -0.106 0.000 0.747 338 L CB -0.472 41.537 42.059 -0.084 0.000 0.896 338 L HN 0.259 nan 8.230 nan 0.000 0.432 339 L N -1.133 120.074 121.223 -0.027 0.000 2.046 339 L HA -0.238 4.102 4.340 0.000 0.000 0.208 339 L C 2.513 179.424 176.870 0.069 0.000 1.077 339 L CA 0.680 55.537 54.840 0.028 0.000 0.747 339 L CB -0.389 41.696 42.059 0.044 0.000 0.896 339 L HN 0.211 nan 8.230 nan 0.000 0.432 340 L N -0.014 121.237 121.223 0.047 0.000 1.989 340 L HA -0.206 4.134 4.340 0.000 0.000 0.211 340 L C 2.778 179.732 176.870 0.141 0.000 1.071 340 L CA 2.182 57.083 54.840 0.101 0.000 0.749 340 L CB -1.253 40.799 42.059 -0.011 0.000 0.890 340 L HN 0.200 nan 8.230 nan 0.000 0.431 341 A N -0.962 121.878 122.820 0.033 0.000 1.883 341 A HA -0.187 4.133 4.320 0.000 0.000 0.217 341 A C 2.475 180.127 177.584 0.114 0.000 1.186 341 A CA 2.067 54.137 52.037 0.055 0.000 0.624 341 A CB -1.040 17.951 19.000 -0.014 0.000 0.822 341 A HN 0.444 nan 8.150 nan 0.000 0.444 342 A N -0.098 122.771 122.820 0.081 0.000 1.883 342 A HA -0.232 4.088 4.320 0.000 0.000 0.217 342 A C 2.144 179.786 177.584 0.096 0.000 1.186 342 A CA 2.290 54.370 52.037 0.072 0.000 0.624 342 A CB -0.545 18.482 19.000 0.046 0.000 0.822 342 A HN 0.596 nan 8.150 nan 0.000 0.444 343 K N -1.644 118.840 120.400 0.140 0.000 2.063 343 K HA -0.129 4.191 4.320 0.000 0.000 0.208 343 K C 1.092 177.724 176.600 0.054 0.000 1.048 343 K CA 1.706 58.057 56.287 0.107 0.000 0.928 343 K CB -0.284 32.315 32.500 0.165 0.000 0.713 343 K HN 0.376 nan 8.250 nan 0.000 0.442 344 F N 0.482 120.446 119.950 0.024 0.000 2.797 344 F HA 0.254 4.781 4.527 0.000 0.000 0.302 344 F C 1.118 176.932 175.800 0.023 0.000 1.130 344 F CA 0.553 58.568 58.000 0.026 0.000 1.387 344 F CB 0.423 39.442 39.000 0.032 0.000 1.107 344 F HN 0.273 nan 8.300 nan 0.000 0.577 345 G N 1.309 110.199 108.800 0.151 0.000 2.295 345 G HA2 -0.214 3.746 3.960 0.000 0.000 0.287 345 G HA3 -0.214 3.746 3.960 0.000 0.000 0.287 345 G C -0.399 174.564 174.900 0.106 0.000 1.055 345 G CA 0.172 45.331 45.100 0.097 0.000 0.922 345 G HN 0.176 nan 8.290 nan 0.000 0.503 346 V N 0.463 120.445 119.914 0.113 0.000 2.448 346 V HA 0.479 4.599 4.120 0.000 0.000 0.295 346 V C 0.999 177.133 176.094 0.068 0.000 1.025 346 V CA -1.077 61.276 62.300 0.088 0.000 0.859 346 V CB 1.620 33.493 31.823 0.083 0.000 0.988 346 V HN 0.499 nan 8.190 nan 0.000 0.431 347 R N 2.396 122.943 120.500 0.079 0.000 2.694 347 R HA 0.496 4.836 4.340 0.000 0.000 0.268 347 R C -0.890 175.470 176.300 0.100 0.000 1.061 347 R CA -0.251 55.903 56.100 0.090 0.000 1.133 347 R CB 0.925 31.336 30.300 0.185 0.000 1.020 347 R HN 0.505 nan 8.270 nan 0.000 0.475 348 V N 3.771 123.706 119.914 0.034 0.000 2.487 348 V HA 0.318 4.438 4.120 0.000 0.000 0.298 348 V C -0.934 175.155 176.094 -0.009 0.000 1.028 348 V CA -0.526 61.800 62.300 0.043 0.000 0.860 348 V CB 1.331 33.144 31.823 -0.015 0.000 0.991 348 V HN 0.535 nan 8.190 nan 0.000 0.427 349 F N 5.490 125.389 119.950 -0.085 0.000 2.363 349 F HA 0.476 5.003 4.527 -0.000 0.000 0.366 349 F C -2.236 173.637 175.800 0.122 0.000 1.083 349 F CA -2.655 55.337 58.000 -0.014 0.000 1.176 349 F CB 1.352 40.190 39.000 -0.271 0.000 1.432 349 F HN 0.322 nan 8.300 nan 0.000 0.482 350 P HA -0.109 nan 4.420 nan 0.000 0.264 350 P C -0.543 176.928 177.300 0.285 0.000 1.179 350 P CA 0.519 63.725 63.100 0.177 0.000 0.763 350 P CB 0.299 32.007 31.700 0.013 0.000 0.806 351 H N 2.407 121.566 119.070 0.148 0.000 2.481 351 H HA 0.670 5.226 4.556 -0.000 0.000 0.339 351 H C -0.278 175.071 175.328 0.036 0.000 1.131 351 H CA -0.248 55.878 56.048 0.129 0.000 1.301 351 H CB 0.693 30.522 29.762 0.112 0.000 1.476 351 H HN 0.471 nan 8.280 nan 0.000 0.529 352 A N 2.553 124.958 122.820 -0.693 0.000 3.613 352 A HA 0.805 5.125 4.320 0.000 0.000 0.276 352 A C 0.539 177.724 177.584 -0.664 0.000 1.115 352 A CA -0.242 51.483 52.037 -0.519 0.000 0.652 352 A CB 0.261 19.130 19.000 -0.219 0.000 1.498 352 A HN 1.588 nan 8.150 nan 0.000 0.710 353 G N -1.719 106.821 108.800 -0.433 0.000 2.503 353 G HA2 0.433 4.393 3.960 0.000 0.000 0.235 353 G HA3 0.433 4.393 3.960 0.000 0.000 0.235 353 G C 1.608 176.140 174.900 -0.613 0.000 1.179 353 G CA 1.024 45.860 45.100 -0.441 0.000 0.944 353 G HN 2.872 nan 8.290 nan 0.000 0.580 354 G N -1.557 106.724 108.800 -0.866 0.000 2.602 354 G HA2 0.058 4.018 3.960 0.000 0.000 0.306 354 G HA3 0.058 4.018 3.960 0.000 0.000 0.306 354 G C 0.457 174.719 174.900 -1.064 0.000 1.301 354 G CA 1.652 45.620 45.100 -1.886 0.000 0.974 354 G HN 2.019 nan 8.290 nan 0.000 0.547 355 V N 1.407 120.702 119.914 -1.032 0.000 2.328 355 V HA 0.567 4.687 4.120 0.000 0.000 0.278 355 V C 1.429 177.510 176.094 -0.023 0.000 1.021 355 V CA 1.021 63.243 62.300 -0.130 0.000 0.838 355 V CB 0.177 32.174 31.823 0.289 0.000 0.999 355 V HN 2.594 nan 8.190 nan 0.000 0.447 356 G N 4.568 113.348 108.800 -0.033 0.000 2.186 356 G HA2 -0.279 3.681 3.960 0.000 0.000 0.266 356 G HA3 -0.279 3.681 3.960 0.000 0.000 0.266 356 G C 0.711 175.427 174.900 -0.306 0.000 0.982 356 G CA 0.521 45.370 45.100 -0.418 0.000 0.670 356 G HN 0.545 nan 8.290 nan 0.000 0.533 357 L N 0.086 121.151 121.223 -0.264 0.000 2.083 357 L HA -0.019 4.321 4.340 0.000 0.000 0.209 357 L C 3.088 179.869 176.870 -0.149 0.000 1.083 357 L CA 1.983 56.697 54.840 -0.211 0.000 0.752 357 L CB -1.445 40.444 42.059 -0.282 0.000 0.899 357 L HN 0.531 nan 8.230 nan 0.000 0.433 358 C N -0.784 118.454 119.300 -0.104 0.000 2.432 358 C HA -0.137 4.323 4.460 0.000 0.000 0.277 358 C C 2.608 177.603 174.990 0.007 0.000 1.249 358 C CA 0.312 59.348 59.018 0.030 0.000 1.725 358 C CB -0.678 27.230 27.740 0.280 0.000 2.028 358 C HN 0.483 nan 8.230 nan 0.000 0.477 359 E N 0.926 121.092 120.200 -0.056 0.000 2.118 359 E HA -0.146 4.204 4.350 0.000 0.000 0.195 359 E C 2.015 178.666 176.600 0.085 0.000 0.992 359 E CA 1.129 57.496 56.400 -0.056 0.000 0.804 359 E CB -0.273 29.225 29.700 -0.338 0.000 0.741 359 E HN 0.606 nan 8.360 nan 0.000 0.458 360 L N -0.865 120.348 121.223 -0.017 0.000 2.071 360 L HA -0.048 4.292 4.340 0.000 0.000 0.201 360 L C 2.329 179.361 176.870 0.270 0.000 1.076 360 L CA 0.485 55.356 54.840 0.051 0.000 0.755 360 L CB -0.622 41.256 42.059 -0.301 0.000 0.915 360 L HN 0.016 nan 8.230 nan 0.000 0.445 361 V N 0.974 120.925 119.914 0.062 0.000 2.568 361 V HA -0.298 3.822 4.120 0.000 0.000 0.253 361 V C 2.666 178.702 176.094 -0.096 0.000 1.072 361 V CA 2.108 64.417 62.300 0.014 0.000 1.084 361 V CB -0.524 31.272 31.823 -0.045 0.000 0.676 361 V HN 0.678 nan 8.190 nan 0.000 0.469 362 Q N -1.054 118.629 119.800 -0.196 0.000 2.135 362 Q HA -0.308 4.032 4.340 0.000 0.000 0.204 362 Q C 1.885 177.687 176.000 -0.330 0.000 0.981 362 Q CA 2.539 58.062 55.803 -0.467 0.000 0.856 362 Q CB -0.664 27.738 28.738 -0.559 0.000 0.902 362 Q HN 0.746 nan 8.270 nan 0.000 0.425 363 H N 0.815 119.853 119.070 -0.053 0.000 2.389 363 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 363 H C 2.029 177.353 175.328 -0.007 0.000 1.081 363 H CA 1.724 57.802 56.048 0.050 0.000 1.345 363 H CB -0.006 29.814 29.762 0.095 0.000 1.393 363 H HN 0.149 nan 8.280 nan 0.000 0.520 364 L N -0.300 120.967 121.223 0.073 0.000 2.056 364 L HA -0.124 4.216 4.340 0.000 0.000 0.207 364 L C 2.708 179.540 176.870 -0.062 0.000 1.078 364 L CA 0.923 55.755 54.840 -0.014 0.000 0.749 364 L CB -0.527 41.517 42.059 -0.024 0.000 0.901 364 L HN 0.334 nan 8.230 nan 0.000 0.433 365 A N -0.208 122.504 122.820 -0.181 0.000 1.930 365 A HA -0.180 4.140 4.320 0.000 0.000 0.217 365 A C 2.301 179.773 177.584 -0.188 0.000 1.175 365 A CA 1.548 53.413 52.037 -0.287 0.000 0.627 365 A CB -0.413 18.175 19.000 -0.686 0.000 0.815 365 A HN 0.336 nan 8.150 nan 0.000 0.443 366 M N -0.746 118.713 119.600 -0.235 0.000 2.200 366 M HA -0.060 4.420 4.480 0.000 0.000 0.265 366 M C 2.476 178.891 176.300 0.192 0.000 1.066 366 M CA 1.202 56.447 55.300 -0.092 0.000 1.127 366 M CB -0.276 32.048 32.600 -0.460 0.000 1.379 366 M HN 0.470 nan 8.290 nan 0.000 0.420 367 A N 0.215 123.170 122.820 0.224 0.000 1.930 367 A HA -0.211 4.109 4.320 0.000 0.000 0.217 367 A C 1.688 179.373 177.584 0.168 0.000 1.175 367 A CA 2.165 54.358 52.037 0.259 0.000 0.627 367 A CB -0.861 18.241 19.000 0.171 0.000 0.815 367 A HN 0.519 nan 8.150 nan 0.000 0.443 368 D N -1.228 119.246 120.400 0.123 0.000 2.104 368 D HA -0.219 4.421 4.640 0.000 0.000 0.194 368 D C 1.683 178.070 176.300 0.145 0.000 0.994 368 D CA 1.672 55.732 54.000 0.100 0.000 0.830 368 D CB -0.271 40.573 40.800 0.073 0.000 0.959 368 D HN 0.421 nan 8.370 nan 0.000 0.452 369 F N 0.178 120.185 119.950 0.095 0.000 2.134 369 F HA -0.159 4.368 4.527 0.000 0.000 0.299 369 F C 1.942 177.779 175.800 0.062 0.000 1.097 369 F CA 1.261 59.310 58.000 0.083 0.000 1.264 369 F CB -0.182 38.894 39.000 0.127 0.000 1.001 369 F HN -0.072 nan 8.300 nan 0.000 0.479 370 V N 0.090 120.026 119.914 0.037 0.000 2.346 370 V HA -0.131 3.989 4.120 0.000 0.000 0.244 370 V C 2.379 178.433 176.094 -0.067 0.000 1.037 370 V CA 1.770 64.039 62.300 -0.052 0.000 1.029 370 V CB -1.018 30.943 31.823 0.230 0.000 0.663 370 V HN 0.460 nan 8.190 nan 0.000 0.454 371 A N -1.889 120.935 122.820 0.006 0.000 2.303 371 A HA 0.390 4.710 4.320 0.000 0.000 0.217 371 A C 1.803 179.376 177.584 -0.018 0.000 1.205 371 A CA 0.282 52.316 52.037 -0.006 0.000 0.875 371 A CB 0.123 19.136 19.000 0.022 0.000 0.910 371 A HN 0.474 nan 8.150 nan 0.000 0.501 372 I N -1.719 118.838 120.570 -0.023 0.000 3.623 372 I HA 0.003 4.173 4.170 0.000 0.000 0.253 372 I C 2.379 178.478 176.117 -0.030 0.000 1.144 372 I CA 1.282 62.574 61.300 -0.014 0.000 1.461 372 I CB -0.024 37.980 38.000 0.007 0.000 1.575 372 I HN 0.299 nan 8.210 nan 0.000 0.445 373 T N -2.047 112.488 114.554 -0.032 0.000 3.042 373 T HA 0.252 4.602 4.350 0.000 0.000 0.245 373 T C 1.674 176.316 174.700 -0.097 0.000 1.029 373 T CA 0.783 62.864 62.100 -0.031 0.000 1.120 373 T CB 0.512 69.393 68.868 0.022 0.000 0.917 373 T HN 0.516 nan 8.240 nan 0.000 0.467 374 G N 1.853 110.510 108.800 -0.238 0.000 2.162 374 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 374 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 374 G C -0.130 174.647 174.900 -0.205 0.000 0.976 374 G CA 0.376 45.162 45.100 -0.524 0.000 0.655 374 G HN 0.719 nan 8.290 nan 0.000 0.533 375 K N -0.313 120.159 120.400 0.120 0.000 2.323 375 K HA 0.714 5.034 4.320 0.000 0.000 0.259 375 K C 0.920 177.669 176.600 0.248 0.000 0.947 375 K CA -0.267 56.153 56.287 0.220 0.000 0.819 375 K CB 1.504 34.049 32.500 0.074 0.000 1.109 375 K HN 0.353 nan 8.250 nan 0.000 0.429 376 M N -1.124 118.472 119.600 -0.006 0.000 1.999 376 M HA 0.270 4.750 4.480 0.000 0.000 0.312 376 M C 0.805 176.823 176.300 -0.470 0.000 0.982 376 M CA 0.064 55.049 55.300 -0.525 0.000 1.125 376 M CB 0.435 32.209 32.600 -1.378 0.000 2.053 376 M HN 0.254 nan 8.290 nan 0.000 0.703 377 E N 2.641 122.676 120.200 -0.276 0.000 2.338 377 E HA -0.127 4.223 4.350 0.000 0.000 0.197 377 E C 0.994 177.534 176.600 -0.100 0.000 1.007 377 E CA 1.633 57.924 56.400 -0.182 0.000 0.849 377 E CB -0.139 29.498 29.700 -0.105 0.000 0.774 377 E HN 0.784 nan 8.360 nan 0.000 0.506 378 D N -0.349 119.997 120.400 -0.090 0.000 2.340 378 D HA -0.023 4.617 4.640 0.000 0.000 0.217 378 D C 0.591 176.843 176.300 -0.080 0.000 1.081 378 D CA -0.028 53.958 54.000 -0.024 0.000 0.842 378 D CB 0.123 40.929 40.800 0.010 0.000 0.934 378 D HN 0.088 nan 8.370 nan 0.000 0.511 379 R N -0.893 119.445 120.500 -0.270 0.000 2.929 379 R HA 0.835 5.175 4.340 0.000 0.000 0.259 379 R C -1.518 174.513 176.300 -0.450 0.000 1.141 379 R CA -1.003 54.627 56.100 -0.784 0.000 0.991 379 R CB 0.797 30.518 30.300 -0.964 0.000 1.287 379 R HN -0.038 nan 8.270 nan 0.000 0.450 380 A N 0.234 122.734 122.820 -0.533 0.000 2.601 380 A HA 0.607 4.927 4.320 0.000 0.000 0.291 380 A C -1.331 176.508 177.584 0.425 0.000 1.075 380 A CA -0.886 51.285 52.037 0.223 0.000 0.671 380 A CB 1.306 20.602 19.000 0.492 0.000 1.277 380 A HN 0.563 nan 8.150 nan 0.000 0.417 381 I N 1.098 121.953 120.570 0.475 0.000 2.437 381 I HA 0.327 4.497 4.170 0.000 0.000 0.298 381 I C 0.590 176.927 176.117 0.367 0.000 0.984 381 I CA -0.393 61.085 61.300 0.297 0.000 1.214 381 I CB 1.709 39.602 38.000 -0.179 0.000 1.365 381 I HN 0.872 nan 8.210 nan 0.000 0.469 382 E N 5.379 125.611 120.200 0.054 0.000 2.373 382 E HA 0.182 4.532 4.350 0.000 0.000 0.267 382 E C -1.630 174.967 176.600 -0.005 0.000 1.032 382 E CA -0.193 55.884 56.400 -0.539 0.000 0.889 382 E CB 0.918 30.313 29.700 -0.508 0.000 0.984 382 E HN 0.437 nan 8.360 nan 0.000 0.425 383 F N 4.343 124.179 119.950 -0.190 0.000 2.556 383 F HA 0.534 5.061 4.527 0.000 0.000 0.314 383 F C -1.710 174.050 175.800 -0.066 0.000 1.106 383 F CA -0.669 57.322 58.000 -0.015 0.000 0.911 383 F CB 1.589 40.592 39.000 0.006 0.000 1.190 383 F HN 0.236 nan 8.300 nan 0.000 0.448 384 V N 4.384 123.651 119.914 -1.079 0.000 2.733 384 V HA 0.220 4.340 4.120 0.000 0.000 0.306 384 V C -1.296 174.353 176.094 -0.740 0.000 1.084 384 V CA -0.782 61.101 62.300 -0.695 0.000 0.905 384 V CB 1.903 33.533 31.823 -0.321 0.000 1.010 384 V HN 0.673 nan 8.190 nan 0.000 0.424 385 D N 3.330 123.525 120.400 -0.342 0.000 2.517 385 D HA 0.354 4.994 4.640 0.000 0.000 0.220 385 D C -0.618 175.676 176.300 -0.010 0.000 1.158 385 D CA 0.193 54.183 54.000 -0.018 0.000 0.992 385 D CB -0.288 40.565 40.800 0.088 0.000 1.058 385 D HN 0.639 nan 8.370 nan 0.000 0.516 386 H N 2.020 120.936 119.070 -0.257 0.000 2.894 386 H HA 0.277 4.833 4.556 -0.000 0.000 0.367 386 H C 0.510 175.578 175.328 -0.434 0.000 1.144 386 H CA -0.862 55.025 56.048 -0.267 0.000 1.180 386 H CB 1.410 31.081 29.762 -0.152 0.000 1.758 386 H HN -0.089 nan 8.280 nan 0.000 0.541 387 L N 1.242 122.366 121.223 -0.165 0.000 4.668 387 L HA -0.322 4.018 4.340 0.000 0.000 0.439 387 L C 1.239 178.143 176.870 0.056 0.000 1.120 387 L CA 1.076 55.845 54.840 -0.119 0.000 0.961 387 L CB -1.951 39.964 42.059 -0.239 0.000 1.918 387 L HN 0.875 nan 8.230 nan 0.000 0.926 388 H N 0.955 120.132 119.070 0.178 0.000 2.489 388 H HA -0.106 4.450 4.556 0.000 0.000 0.293 388 H C 2.119 177.571 175.328 0.206 0.000 1.066 388 H CA 1.646 57.862 56.048 0.279 0.000 1.305 388 H CB 0.173 30.035 29.762 0.167 0.000 1.386 388 H HN 0.706 nan 8.280 nan 0.000 0.551 389 Q N 0.928 120.766 119.800 0.065 0.000 2.437 389 Q HA -0.133 4.207 4.340 0.000 0.000 0.210 389 Q C 0.546 176.436 176.000 -0.182 0.000 0.972 389 Q CA 1.196 56.943 55.803 -0.093 0.000 0.903 389 Q CB -0.551 28.031 28.738 -0.260 0.000 0.967 389 Q HN 0.594 nan 8.270 nan 0.000 0.486 390 H N -0.904 118.139 119.070 -0.044 0.000 2.539 390 H HA 0.289 4.845 4.556 -0.000 0.000 0.269 390 H C -0.605 174.431 175.328 -0.486 0.000 0.980 390 H CA -0.190 55.728 56.048 -0.215 0.000 1.152 390 H CB 0.127 29.623 29.762 -0.443 0.000 1.407 390 H HN 0.080 nan 8.280 nan 0.000 0.564 391 F N -0.495 119.483 119.950 0.046 0.000 2.480 391 F HA 0.184 4.711 4.527 0.000 0.000 0.329 391 F C 0.596 176.225 175.800 -0.285 0.000 1.091 391 F CA -1.018 56.921 58.000 -0.103 0.000 0.972 391 F CB 1.346 40.367 39.000 0.035 0.000 1.150 391 F HN -0.149 nan 8.300 nan 0.000 0.467 392 L N 0.678 121.769 121.223 -0.219 0.000 2.093 392 L HA -0.100 4.240 4.340 0.000 0.000 0.208 392 L C 0.776 177.668 176.870 0.036 0.000 1.085 392 L CA 1.584 56.300 54.840 -0.208 0.000 0.755 392 L CB -0.459 41.503 42.059 -0.162 0.000 0.904 392 L HN 0.525 nan 8.230 nan 0.000 0.435 393 D N 0.519 120.985 120.400 0.111 0.000 2.551 393 D HA 0.177 4.817 4.640 0.000 0.000 0.294 393 D C -2.426 173.962 176.300 0.145 0.000 1.201 393 D CA -2.309 51.769 54.000 0.131 0.000 0.941 393 D CB 0.652 41.538 40.800 0.143 0.000 0.995 393 D HN 0.010 nan 8.370 nan 0.000 0.502 394 P HA 0.030 nan 4.420 nan 0.000 0.271 394 P C 0.412 177.745 177.300 0.055 0.000 1.218 394 P CA -0.509 62.680 63.100 0.148 0.000 0.780 394 P CB 1.127 32.933 31.700 0.176 0.000 0.901 395 V N 1.472 121.383 119.914 -0.006 0.000 3.139 395 V HA 0.237 4.357 4.120 0.000 0.000 0.307 395 V C 0.327 176.367 176.094 -0.090 0.000 1.095 395 V CA -0.155 62.147 62.300 0.003 0.000 1.160 395 V CB -0.410 31.478 31.823 0.108 0.000 1.003 395 V HN 0.471 nan 8.190 nan 0.000 0.489 396 R N 3.317 123.755 120.500 -0.103 0.000 2.483 396 R HA 0.634 4.974 4.340 0.000 0.000 0.303 396 R C -1.277 174.832 176.300 -0.318 0.000 0.987 396 R CA -0.705 55.291 56.100 -0.174 0.000 0.881 396 R CB 1.705 31.952 30.300 -0.088 0.000 1.177 396 R HN 0.631 nan 8.270 nan 0.000 0.451 397 I N 2.637 122.930 120.570 -0.461 0.000 2.392 397 I HA 0.267 4.437 4.170 0.000 0.000 0.295 397 I C -0.082 175.808 176.117 -0.378 0.000 0.985 397 I CA -0.346 60.595 61.300 -0.598 0.000 1.221 397 I CB 1.641 39.072 38.000 -0.948 0.000 1.366 397 I HN 0.628 nan 8.210 nan 0.000 0.467 398 Q N 5.885 125.488 119.800 -0.327 0.000 2.303 398 Q HA 0.189 4.529 4.340 0.000 0.000 0.267 398 Q C -0.249 175.638 176.000 -0.189 0.000 1.011 398 Q CA -0.469 55.211 55.803 -0.205 0.000 0.740 398 Q CB 0.710 29.366 28.738 -0.136 0.000 1.250 398 Q HN 0.683 nan 8.270 nan 0.000 0.458 399 H N 3.098 121.984 119.070 -0.306 0.000 2.496 399 H HA -0.244 4.312 4.556 -0.000 0.000 0.323 399 H C 0.507 175.554 175.328 -0.469 0.000 1.054 399 H CA 1.671 57.526 56.048 -0.323 0.000 1.095 399 H CB -0.787 28.852 29.762 -0.205 0.000 1.595 399 H HN 1.165 nan 8.280 nan 0.000 0.388 400 G N 1.515 109.754 108.800 -0.935 0.000 2.179 400 G HA2 -0.306 3.654 3.960 0.000 0.000 0.257 400 G HA3 -0.306 3.654 3.960 0.000 0.000 0.257 400 G C 0.115 174.666 174.900 -0.582 0.000 1.010 400 G CA 0.684 45.035 45.100 -1.248 0.000 0.736 400 G HN 0.718 nan 8.290 nan 0.000 0.513 401 R N -1.627 118.615 120.500 -0.430 0.000 2.698 401 R HA 0.513 4.853 4.340 0.000 0.000 0.275 401 R C -1.011 175.146 176.300 -0.239 0.000 1.001 401 R CA -0.968 55.011 56.100 -0.202 0.000 0.896 401 R CB 1.286 31.509 30.300 -0.129 0.000 1.218 401 R HN 0.117 nan 8.270 nan 0.000 0.462 402 Y N 1.654 121.876 120.300 -0.130 0.000 2.319 402 Y HA 0.225 4.775 4.550 -0.000 0.000 0.328 402 Y C 0.465 176.270 175.900 -0.158 0.000 1.133 402 Y CA -0.102 57.905 58.100 -0.154 0.000 1.265 402 Y CB 0.830 39.209 38.460 -0.135 0.000 1.218 402 Y HN 0.193 nan 8.280 nan 0.000 0.508 403 L N 3.710 124.919 121.223 -0.023 0.000 2.312 403 L HA 0.479 4.819 4.340 0.000 0.000 0.281 403 L C 0.298 177.133 176.870 -0.059 0.000 1.070 403 L CA -1.055 53.755 54.840 -0.051 0.000 0.805 403 L CB 0.981 43.008 42.059 -0.053 0.000 1.174 403 L HN 0.697 nan 8.230 nan 0.000 0.434 404 A N 5.249 127.996 122.820 -0.121 0.000 2.524 404 A HA 0.360 4.680 4.320 0.000 0.000 0.250 404 A C -2.203 175.392 177.584 0.019 0.000 1.078 404 A CA -0.905 50.994 52.037 -0.229 0.000 0.761 404 A CB -0.576 18.201 19.000 -0.371 0.000 1.012 404 A HN 0.435 nan 8.150 nan 0.000 0.500 405 P HA 0.081 nan 4.420 nan 0.000 0.266 405 P C 0.222 177.757 177.300 0.392 0.000 1.193 405 P CA 0.333 63.566 63.100 0.222 0.000 0.770 405 P CB 0.593 32.408 31.700 0.191 0.000 0.836 406 E N 0.009 120.362 120.200 0.255 0.000 2.399 406 E HA 0.076 4.426 4.350 0.000 0.000 0.206 406 E C 0.103 176.794 176.600 0.152 0.000 0.812 406 E CA -0.034 56.491 56.400 0.207 0.000 1.138 406 E CB 0.155 29.945 29.700 0.149 0.000 1.140 406 E HN 0.122 nan 8.360 nan 0.000 0.536 407 V N 4.567 124.572 119.914 0.151 0.000 2.999 407 V HA 0.048 4.168 4.120 0.000 0.000 0.307 407 V C -2.019 174.148 176.094 0.121 0.000 1.084 407 V CA -1.023 61.349 62.300 0.121 0.000 1.155 407 V CB 0.187 32.082 31.823 0.120 0.000 0.975 407 V HN 0.105 nan 8.190 nan 0.000 0.490 408 P HA 0.492 nan 4.420 nan 0.000 0.279 408 P C 0.061 177.400 177.300 0.065 0.000 1.239 408 P CA 0.632 63.763 63.100 0.051 0.000 0.789 408 P CB 1.306 33.019 31.700 0.022 0.000 0.933 409 G N 1.567 110.385 108.800 0.029 0.000 2.384 409 G HA2 -0.174 3.786 3.960 0.000 0.000 0.668 409 G HA3 -0.174 3.786 3.960 0.000 0.000 0.668 409 G C -0.592 174.299 174.900 -0.015 0.000 1.280 409 G CA -0.595 44.528 45.100 0.038 0.000 0.992 409 G HN 0.416 nan 8.290 nan 0.000 0.512 410 F N 0.899 120.764 119.950 -0.142 0.000 2.765 410 F HA 0.327 4.854 4.527 0.000 0.000 0.302 410 F C 1.680 177.397 175.800 -0.139 0.000 1.111 410 F CA 0.558 58.367 58.000 -0.319 0.000 1.359 410 F CB 0.174 39.104 39.000 -0.118 0.000 1.097 410 F HN 0.740 nan 8.300 nan 0.000 0.577 411 S N 0.099 115.943 115.700 0.240 0.000 3.635 411 S HA -0.265 4.205 4.470 0.000 0.000 0.328 411 S C 0.796 175.477 174.600 0.135 0.000 1.135 411 S CA 0.401 58.737 58.200 0.227 0.000 0.942 411 S CB -1.747 61.660 63.200 0.345 0.000 0.930 411 S HN 0.605 nan 8.310 nan 0.000 0.512 412 A N 0.262 123.181 122.820 0.165 0.000 2.140 412 A HA 0.304 4.624 4.320 0.000 0.000 0.209 412 A C 0.621 178.434 177.584 0.382 0.000 1.181 412 A CA 0.306 52.477 52.037 0.224 0.000 0.824 412 A CB 0.057 19.139 19.000 0.137 0.000 0.879 412 A HN 0.638 nan 8.150 nan 0.000 0.480 413 E N 0.735 121.012 120.200 0.128 0.000 2.465 413 E HA 0.203 4.553 4.350 0.000 0.000 0.260 413 E C -0.457 176.152 176.600 0.015 0.000 0.980 413 E CA 0.200 56.485 56.400 -0.191 0.000 0.927 413 E CB 0.217 29.499 29.700 -0.696 0.000 0.934 413 E HN 0.449 nan 8.360 nan 0.000 0.459 414 M N 3.069 122.651 119.600 -0.031 0.000 2.537 414 M HA 0.248 4.728 4.480 0.000 0.000 0.324 414 M C -0.212 175.955 176.300 -0.223 0.000 1.187 414 M CA -0.955 54.172 55.300 -0.288 0.000 0.993 414 M CB 1.452 33.728 32.600 -0.541 0.000 1.666 414 M HN 0.461 nan 8.290 nan 0.000 0.461 415 H N 3.208 122.216 119.070 -0.103 0.000 3.070 415 H HA 0.023 4.579 4.556 0.000 0.000 0.313 415 H C -1.549 173.760 175.328 -0.032 0.000 0.997 415 H CA -0.662 55.364 56.048 -0.036 0.000 1.438 415 H CB 0.261 30.019 29.762 -0.007 0.000 1.455 415 H HN 0.394 nan 8.280 nan 0.000 0.575 416 P HA -0.165 nan 4.420 nan 0.000 0.219 416 P C 1.139 178.482 177.300 0.071 0.000 1.146 416 P CA 1.461 64.603 63.100 0.070 0.000 0.808 416 P CB 0.190 31.942 31.700 0.088 0.000 0.779 417 A N -0.089 122.790 122.820 0.098 0.000 2.015 417 A HA -0.080 4.240 4.320 0.000 0.000 0.219 417 A C 2.451 180.115 177.584 0.132 0.000 1.163 417 A CA 1.642 53.728 52.037 0.082 0.000 0.646 417 A CB -1.243 17.786 19.000 0.048 0.000 0.806 417 A HN 0.174 nan 8.150 nan 0.000 0.448 418 S N -0.165 115.652 115.700 0.196 0.000 2.357 418 S HA -0.091 4.379 4.470 0.000 0.000 0.221 418 S C 1.698 176.432 174.600 0.223 0.000 1.031 418 S CA 1.402 59.803 58.200 0.334 0.000 0.982 418 S CB -0.370 63.053 63.200 0.372 0.000 0.853 418 S HN 0.453 nan 8.310 nan 0.000 0.458 419 I N 2.165 122.758 120.570 0.040 0.000 2.361 419 I HA -0.103 4.067 4.170 0.000 0.000 0.251 419 I C 2.422 178.559 176.117 0.033 0.000 1.133 419 I CA 0.863 62.134 61.300 -0.049 0.000 1.413 419 I CB -0.713 37.159 38.000 -0.214 0.000 1.073 419 I HN 0.236 nan 8.210 nan 0.000 0.424 420 A N -0.479 122.368 122.820 0.045 0.000 2.014 420 A HA -0.173 4.147 4.320 0.000 0.000 0.218 420 A C 2.272 179.873 177.584 0.029 0.000 1.163 420 A CA 1.655 53.720 52.037 0.047 0.000 0.652 420 A CB -0.398 18.627 19.000 0.041 0.000 0.808 420 A HN 0.390 nan 8.150 nan 0.000 0.449 421 E N -0.999 119.201 120.200 0.001 0.000 2.102 421 E HA 0.056 4.406 4.350 0.000 0.000 0.190 421 E C 0.724 177.093 176.600 -0.386 0.000 0.971 421 E CA 0.955 57.227 56.400 -0.213 0.000 0.821 421 E CB -0.206 29.317 29.700 -0.294 0.000 0.777 421 E HN 0.541 nan 8.360 nan 0.000 0.460 422 F N 0.188 120.204 119.950 0.110 0.000 2.639 422 F HA 0.368 4.895 4.527 0.000 0.000 0.302 422 F C 0.775 176.739 175.800 0.273 0.000 1.097 422 F CA -0.310 57.803 58.000 0.188 0.000 1.294 422 F CB 0.401 39.295 39.000 -0.176 0.000 1.027 422 F HN -0.173 nan 8.300 nan 0.000 0.550 423 S N 0.495 116.369 115.700 0.291 0.000 2.560 423 S HA 0.064 4.534 4.470 0.000 0.000 0.284 423 S C -0.867 173.910 174.600 0.295 0.000 1.327 423 S CA -0.067 58.266 58.200 0.222 0.000 1.055 423 S CB 0.248 63.551 63.200 0.172 0.000 0.868 423 S HN 0.284 nan 8.310 nan 0.000 0.506 424 Y N 5.485 125.773 120.300 -0.019 0.000 2.364 424 Y HA 0.536 5.086 4.550 0.000 0.000 0.340 424 Y C -2.233 173.621 175.900 -0.077 0.000 0.975 424 Y CA -2.126 55.876 58.100 -0.165 0.000 1.089 424 Y CB 2.058 40.214 38.460 -0.507 0.000 1.192 424 Y HN 0.523 nan 8.280 nan 0.000 0.454 425 P HA 0.025 nan 4.420 nan 0.000 0.245 425 P C 0.727 177.968 177.300 -0.098 0.000 1.199 425 P CA 0.680 63.367 63.100 -0.688 0.000 0.807 425 P CB 0.395 31.561 31.700 -0.891 0.000 1.002 426 D N 0.201 120.562 120.400 -0.064 0.000 2.354 426 D HA -0.093 4.547 4.640 0.000 0.000 0.216 426 D C 1.040 177.393 176.300 0.089 0.000 0.970 426 D CA 0.455 54.465 54.000 0.017 0.000 0.905 426 D CB -0.917 39.892 40.800 0.016 0.000 0.903 426 D HN 0.033 nan 8.370 nan 0.000 0.508 427 G N 0.760 109.668 108.800 0.179 0.000 2.484 427 G HA2 -0.071 3.889 3.960 0.000 0.000 0.235 427 G HA3 -0.071 3.889 3.960 0.000 0.000 0.235 427 G C 0.910 175.897 174.900 0.146 0.000 1.282 427 G CA -0.502 44.723 45.100 0.210 0.000 0.857 427 G HN -0.021 nan 8.290 nan 0.000 0.571 428 R N 1.802 122.329 120.500 0.045 0.000 2.096 428 R HA -0.200 4.140 4.340 0.000 0.000 0.240 428 R C 2.101 178.368 176.300 -0.055 0.000 1.139 428 R CA 1.971 58.063 56.100 -0.014 0.000 0.952 428 R CB -0.711 29.563 30.300 -0.044 0.000 0.854 428 R HN 0.653 nan 8.270 nan 0.000 0.436 429 F N -0.466 119.301 119.950 -0.305 0.000 2.134 429 F HA -0.186 4.341 4.527 0.000 0.000 0.299 429 F C 1.671 177.250 175.800 -0.369 0.000 1.097 429 F CA 1.623 59.350 58.000 -0.455 0.000 1.264 429 F CB -0.525 37.960 39.000 -0.858 0.000 1.001 429 F HN 0.024 nan 8.300 nan 0.000 0.479 430 W N -0.485 120.884 121.300 0.114 0.000 2.584 430 W HA 0.031 4.691 4.660 -0.000 0.000 0.264 430 W C 2.205 178.713 176.519 -0.018 0.000 1.264 430 W CA 0.786 58.192 57.345 0.102 0.000 1.306 430 W CB -0.588 29.112 29.460 0.399 0.000 1.110 430 W HN -0.209 nan 8.180 nan 0.000 0.606 431 V N 1.284 121.271 119.914 0.122 0.000 2.379 431 V HA -0.273 3.847 4.120 0.000 0.000 0.245 431 V C 2.247 178.322 176.094 -0.032 0.000 1.044 431 V CA 2.451 64.777 62.300 0.044 0.000 1.036 431 V CB -0.791 31.044 31.823 0.020 0.000 0.664 431 V HN 0.308 nan 8.190 nan 0.000 0.453 432 E N 0.189 120.318 120.200 -0.117 0.000 2.076 432 E HA -0.242 4.108 4.350 0.000 0.000 0.190 432 E C 1.981 178.458 176.600 -0.205 0.000 0.979 432 E CA 1.301 57.608 56.400 -0.154 0.000 0.807 432 E CB -0.609 28.983 29.700 -0.180 0.000 0.761 432 E HN 0.585 nan 8.360 nan 0.000 0.454 433 D N 1.073 121.245 120.400 -0.379 0.000 2.133 433 D HA -0.160 4.480 4.640 0.000 0.000 0.192 433 D C 0.924 177.150 176.300 -0.123 0.000 1.001 433 D CA 1.051 54.817 54.000 -0.390 0.000 0.844 433 D CB 0.076 40.446 40.800 -0.717 0.000 0.944 433 D HN 0.176 nan 8.370 nan 0.000 0.447 434 L N 0.000 121.216 121.223 -0.012 0.000 2.949 434 L HA 0.000 4.340 4.340 0.000 0.000 0.249 434 L CA 0.000 54.872 54.840 0.053 0.000 0.813 434 L CB 0.000 42.151 42.059 0.153 0.000 0.961 434 L HN 0.000 nan 8.230 nan 0.000 0.502