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 2hi9_1_A DATA FIRST_RESID 25 DATA SEQUENCE SRRDFTFDLY RALASAAPSQ NIFFSPVSIS MSLAMLSLGA GSSTKMQILE DATA SEQUENCE GLGLNLQKSS EKELHRGFQQ LLQELNQPRD GFQLSLGNAL FTDLVVDLQD DATA SEQUENCE TFVSAMKTLY LADTFPTNFR DSAGAMKQIN DYVAKQTKGK IVDLLKNLDS DATA SEQUENCE NAVVIMVNYI FFKAKWETSF NHKGTQEQDF YVTSETVVRV PMMSREDQYH DATA SEQUENCE YLLDRNLSCR VVGVPYQGNA TALFILPSEG KMQQVENGLS EKTLRKWLKM DATA SEQUENCE FKKRQLELYL PKFSIEGSYQ LEKVLPSLGI SNVFTSHADL SGISNHSNIQ DATA SEQUENCE VSEMVHKAVV EVDESGTRAA AATGTIFTXX XXXXXSQRLV FNRPFLMFIV DATA SEQUENCE DNNILFLGKV NRP 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 25 S HA 0.000 nan 4.470 nan 0.000 0.327 25 S C 0.000 174.611 174.600 0.019 0.000 1.055 25 S CA 0.000 58.209 58.200 0.015 0.000 1.107 25 S CB 0.000 63.209 63.200 0.016 0.000 0.593 26 R N 1.556 122.068 120.500 0.021 0.000 2.668 26 R HA 0.529 4.869 4.340 0.001 0.000 0.279 26 R C -0.754 175.573 176.300 0.044 0.000 0.976 26 R CA -0.735 55.382 56.100 0.027 0.000 0.978 26 R CB 1.078 31.390 30.300 0.019 0.000 1.133 26 R HN 0.566 nan 8.270 nan 0.000 0.484 27 R N 1.782 122.313 120.500 0.052 0.000 2.267 27 R HA 0.118 4.459 4.340 0.001 0.000 0.319 27 R C -0.922 175.439 176.300 0.102 0.000 1.067 27 R CA 0.097 56.242 56.100 0.075 0.000 0.936 27 R CB 0.159 30.502 30.300 0.072 0.000 1.006 27 R HN 0.447 nan 8.270 nan 0.000 0.452 28 D N 4.737 125.216 120.400 0.133 0.000 2.381 28 D HA 0.020 4.660 4.640 0.001 0.000 0.245 28 D C 0.836 177.250 176.300 0.190 0.000 1.297 28 D CA -0.547 53.563 54.000 0.183 0.000 0.931 28 D CB 0.071 40.999 40.800 0.215 0.000 1.334 28 D HN 0.277 nan 8.370 nan 0.000 0.535 29 F N 2.569 122.546 119.950 0.047 0.000 2.054 29 F HA -0.379 4.149 4.527 0.000 0.000 0.294 29 F C 1.964 177.740 175.800 -0.038 0.000 1.126 29 F CA 2.668 60.669 58.000 0.002 0.000 1.226 29 F CB -0.849 38.147 39.000 -0.007 0.000 0.947 29 F HN 0.319 nan 8.300 nan 0.000 0.509 30 T N 0.892 115.305 114.554 -0.235 0.000 2.570 30 T HA -0.278 4.072 4.350 0.001 0.000 0.266 30 T C 1.773 176.164 174.700 -0.514 0.000 1.071 30 T CA 2.282 64.082 62.100 -0.499 0.000 1.172 30 T CB -0.962 67.524 68.868 -0.637 0.000 0.864 30 T HN 0.252 nan 8.240 nan 0.000 0.421 31 F N 1.528 121.471 119.950 -0.011 0.000 2.293 31 F HA 0.017 4.545 4.527 0.001 0.000 0.300 31 F C 2.306 178.134 175.800 0.046 0.000 1.086 31 F CA 0.506 58.530 58.000 0.041 0.000 1.375 31 F CB -0.572 38.432 39.000 0.007 0.000 1.045 31 F HN 0.097 nan 8.300 nan 0.000 0.516 32 D N -0.021 120.417 120.400 0.064 0.000 2.149 32 D HA -0.101 4.539 4.640 0.001 0.000 0.201 32 D C 2.279 178.499 176.300 -0.133 0.000 0.972 32 D CA 0.713 54.715 54.000 0.002 0.000 0.835 32 D CB -0.425 40.376 40.800 0.001 0.000 0.966 32 D HN 0.173 nan 8.370 nan 0.000 0.476 33 L N -0.031 120.998 121.223 -0.324 0.000 2.056 33 L HA -0.135 4.205 4.340 0.001 0.000 0.207 33 L C 2.190 178.789 176.870 -0.452 0.000 1.078 33 L CA 1.497 56.028 54.840 -0.516 0.000 0.749 33 L CB -0.976 40.557 42.059 -0.876 0.000 0.901 33 L HN 0.042 nan 8.230 nan 0.000 0.433 34 Y N 0.581 120.715 120.300 -0.276 0.000 2.081 34 Y HA -0.309 4.241 4.550 0.001 0.000 0.280 34 Y C 2.706 178.556 175.900 -0.082 0.000 1.163 34 Y CA 2.232 60.290 58.100 -0.070 0.000 1.135 34 Y CB -0.232 38.296 38.460 0.113 0.000 0.970 34 Y HN 0.142 nan 8.280 nan 0.000 0.498 35 R N -0.016 120.510 120.500 0.044 0.000 2.096 35 R HA -0.151 4.189 4.340 0.001 0.000 0.235 35 R C 2.522 178.731 176.300 -0.151 0.000 1.127 35 R CA 1.055 57.154 56.100 -0.001 0.000 0.968 35 R CB -0.611 29.764 30.300 0.124 0.000 0.861 35 R HN 0.498 nan 8.270 nan 0.000 0.440 36 A N 1.263 123.968 122.820 -0.190 0.000 1.877 36 A HA -0.128 4.192 4.320 0.001 0.000 0.216 36 A C 2.172 179.601 177.584 -0.258 0.000 1.186 36 A CA 1.110 53.028 52.037 -0.198 0.000 0.620 36 A CB -0.542 18.330 19.000 -0.214 0.000 0.822 36 A HN 0.163 nan 8.150 nan 0.000 0.443 37 L N -0.797 120.185 121.223 -0.403 0.000 2.017 37 L HA -0.206 4.134 4.340 0.001 0.000 0.208 37 L C 3.111 179.791 176.870 -0.317 0.000 1.073 37 L CA 1.195 55.776 54.840 -0.432 0.000 0.745 37 L CB -0.606 41.014 42.059 -0.733 0.000 0.894 37 L HN 0.447 nan 8.230 nan 0.000 0.432 38 A N -0.670 121.895 122.820 -0.424 0.000 1.933 38 A HA -0.169 4.152 4.320 0.001 0.000 0.218 38 A C 2.468 179.974 177.584 -0.130 0.000 1.175 38 A CA 1.950 53.812 52.037 -0.291 0.000 0.628 38 A CB -0.512 18.241 19.000 -0.412 0.000 0.814 38 A HN 0.398 nan 8.150 nan 0.000 0.444 39 S N -0.131 115.496 115.700 -0.121 0.000 2.402 39 S HA 0.037 4.508 4.470 0.001 0.000 0.229 39 S C 2.111 176.682 174.600 -0.049 0.000 1.021 39 S CA 0.985 59.150 58.200 -0.058 0.000 0.974 39 S CB -0.269 62.900 63.200 -0.051 0.000 0.800 39 S HN 0.776 nan 8.310 nan 0.000 0.484 40 A N 0.536 123.314 122.820 -0.070 0.000 2.067 40 A HA 0.560 4.880 4.320 0.001 0.000 0.217 40 A C 1.275 178.847 177.584 -0.019 0.000 1.156 40 A CA 0.890 52.900 52.037 -0.045 0.000 0.683 40 A CB -0.095 18.870 19.000 -0.058 0.000 0.808 40 A HN 0.443 nan 8.150 nan 0.000 0.455 41 A N 0.329 123.139 122.820 -0.016 0.000 3.258 41 A HA 0.611 4.931 4.320 0.001 0.000 0.318 41 A C -2.905 174.690 177.584 0.018 0.000 0.990 41 A CA -1.301 50.745 52.037 0.014 0.000 0.885 41 A CB 0.071 19.100 19.000 0.048 0.000 1.090 41 A HN 0.157 nan 8.150 nan 0.000 0.479 42 P HA 0.183 nan 4.420 nan 0.000 0.268 42 P C 0.668 177.993 177.300 0.042 0.000 1.208 42 P CA 0.828 63.946 63.100 0.030 0.000 0.777 42 P CB 0.544 32.260 31.700 0.027 0.000 0.875 43 S N -1.531 114.203 115.700 0.056 0.000 3.476 43 S HA -0.216 4.254 4.470 0.001 0.000 0.309 43 S C -0.022 174.614 174.600 0.060 0.000 1.222 43 S CA 0.986 59.224 58.200 0.063 0.000 0.922 43 S CB -2.034 61.198 63.200 0.053 0.000 1.023 43 S HN 0.641 nan 8.310 nan 0.000 0.591 44 Q N 0.152 119.989 119.800 0.063 0.000 2.484 44 Q HA 0.501 4.842 4.340 0.001 0.000 0.285 44 Q C -0.508 175.540 176.000 0.080 0.000 1.097 44 Q CA -1.198 54.642 55.803 0.062 0.000 0.802 44 Q CB 0.846 29.620 28.738 0.060 0.000 1.444 44 Q HN 0.146 nan 8.270 nan 0.000 0.429 45 N N 0.749 119.494 118.700 0.076 0.000 2.415 45 N HA 0.277 5.018 4.740 0.001 0.000 0.248 45 N C -0.719 174.907 175.510 0.193 0.000 1.271 45 N CA 0.397 53.508 53.050 0.101 0.000 0.913 45 N CB 0.531 39.058 38.487 0.067 0.000 1.129 45 N HN 0.394 nan 8.380 nan 0.000 0.444 46 I N 1.291 122.027 120.570 0.278 0.000 2.569 46 I HA 0.391 4.562 4.170 0.001 0.000 0.290 46 I C -1.155 175.304 176.117 0.570 0.000 1.088 46 I CA -0.435 61.090 61.300 0.377 0.000 1.047 46 I CB 1.250 39.371 38.000 0.202 0.000 1.237 46 I HN 0.356 nan 8.210 nan 0.000 0.421 47 F N 8.713 128.967 119.950 0.507 0.000 2.651 47 F HA 0.649 5.177 4.527 0.001 0.000 0.329 47 F C -1.477 174.737 175.800 0.691 0.000 1.186 47 F CA -0.849 57.427 58.000 0.461 0.000 1.046 47 F CB 1.375 40.574 39.000 0.331 0.000 1.296 47 F HN 0.323 nan 8.300 nan 0.000 0.497 48 F N 1.962 121.762 119.950 -0.251 0.000 2.741 48 F HA 0.677 5.205 4.527 0.001 0.000 0.313 48 F C -1.403 174.275 175.800 -0.203 0.000 1.153 48 F CA -1.408 56.598 58.000 0.009 0.000 0.931 48 F CB 1.196 40.176 39.000 -0.033 0.000 1.335 48 F HN 0.279 nan 8.300 nan 0.000 0.460 49 S N 2.033 117.769 115.700 0.061 0.000 2.474 49 S HA 0.503 4.974 4.470 0.001 0.000 0.320 49 S C -2.156 172.289 174.600 -0.259 0.000 1.067 49 S CA -1.511 56.452 58.200 -0.396 0.000 1.127 49 S CB 0.830 63.777 63.200 -0.422 0.000 0.971 49 S HN 0.489 nan 8.310 nan 0.000 0.472 50 P HA -0.136 nan 4.420 nan 0.000 0.215 50 P C 1.605 178.883 177.300 -0.037 0.000 1.157 50 P CA 0.657 63.689 63.100 -0.113 0.000 0.874 50 P CB 0.083 31.634 31.700 -0.248 0.000 0.790 51 V N 0.038 119.879 119.914 -0.120 0.000 2.490 51 V HA -0.225 3.896 4.120 0.001 0.000 0.250 51 V C 2.336 178.416 176.094 -0.024 0.000 1.061 51 V CA 2.682 64.961 62.300 -0.035 0.000 1.064 51 V CB -1.264 30.517 31.823 -0.071 0.000 0.670 51 V HN 0.244 nan 8.190 nan 0.000 0.461 52 S N -0.514 115.134 115.700 -0.087 0.000 2.371 52 S HA -0.096 4.374 4.470 0.001 0.000 0.224 52 S C 1.965 176.552 174.600 -0.022 0.000 1.029 52 S CA 1.609 59.787 58.200 -0.035 0.000 0.978 52 S CB -0.609 62.598 63.200 0.011 0.000 0.833 52 S HN 0.561 nan 8.310 nan 0.000 0.466 53 I N 2.846 123.379 120.570 -0.060 0.000 2.226 53 I HA -0.167 4.004 4.170 0.001 0.000 0.245 53 I C 2.966 179.078 176.117 -0.008 0.000 1.100 53 I CA 1.517 62.783 61.300 -0.057 0.000 1.374 53 I CB -0.475 37.455 38.000 -0.117 0.000 1.057 53 I HN 0.561 nan 8.210 nan 0.000 0.413 54 S N 0.263 115.974 115.700 0.018 0.000 2.453 54 S HA -0.171 4.300 4.470 0.001 0.000 0.231 54 S C 2.006 176.407 174.600 -0.331 0.000 1.005 54 S CA 0.663 58.784 58.200 -0.131 0.000 0.949 54 S CB -0.374 62.803 63.200 -0.038 0.000 0.774 54 S HN 0.415 nan 8.310 nan 0.000 0.510 55 M N 1.586 121.031 119.600 -0.257 0.000 2.156 55 M HA 0.009 4.490 4.480 0.001 0.000 0.264 55 M C 2.425 178.523 176.300 -0.336 0.000 1.067 55 M CA 1.527 56.589 55.300 -0.398 0.000 1.131 55 M CB -0.338 32.223 32.600 -0.065 0.000 1.368 55 M HN 0.437 nan 8.290 nan 0.000 0.416 56 S N 0.336 115.921 115.700 -0.190 0.000 2.383 56 S HA -0.139 4.332 4.470 0.001 0.000 0.229 56 S C 1.752 176.230 174.600 -0.203 0.000 1.030 56 S CA 1.360 59.469 58.200 -0.153 0.000 1.002 56 S CB -0.417 62.762 63.200 -0.034 0.000 0.829 56 S HN 0.556 nan 8.310 nan 0.000 0.467 57 L N 0.817 121.913 121.223 -0.212 0.000 2.072 57 L HA 0.016 4.356 4.340 0.001 0.000 0.205 57 L C 2.969 179.672 176.870 -0.279 0.000 1.079 57 L CA 1.126 55.839 54.840 -0.211 0.000 0.752 57 L CB -0.689 41.243 42.059 -0.212 0.000 0.906 57 L HN 0.402 nan 8.230 nan 0.000 0.436 58 A N -0.187 122.383 122.820 -0.415 0.000 1.908 58 A HA -0.293 4.028 4.320 0.001 0.000 0.218 58 A C 2.355 179.749 177.584 -0.316 0.000 1.181 58 A CA 2.056 53.864 52.037 -0.382 0.000 0.627 58 A CB -0.613 17.919 19.000 -0.781 0.000 0.818 58 A HN 0.450 nan 8.150 nan 0.000 0.445 59 M N -0.975 118.221 119.600 -0.674 0.000 2.108 59 M HA -0.172 4.308 4.480 0.001 0.000 0.261 59 M C 2.067 178.157 176.300 -0.350 0.000 1.066 59 M CA 2.189 56.904 55.300 -0.974 0.000 1.107 59 M CB -0.252 31.725 32.600 -1.037 0.000 1.356 59 M HN 0.388 nan 8.290 nan 0.000 0.406 60 L N 0.763 121.860 121.223 -0.210 0.000 2.046 60 L HA -0.157 4.183 4.340 0.001 0.000 0.208 60 L C 2.625 179.468 176.870 -0.045 0.000 1.077 60 L CA 2.404 57.205 54.840 -0.065 0.000 0.747 60 L CB -0.876 41.116 42.059 -0.111 0.000 0.896 60 L HN 0.587 nan 8.230 nan 0.000 0.432 61 S N -1.387 114.272 115.700 -0.069 0.000 2.537 61 S HA -0.159 4.312 4.470 0.001 0.000 0.240 61 S C 1.927 176.550 174.600 0.037 0.000 0.981 61 S CA 0.935 59.119 58.200 -0.027 0.000 0.948 61 S CB -0.815 62.381 63.200 -0.007 0.000 0.759 61 S HN 0.371 nan 8.310 nan 0.000 0.531 62 L N 1.763 123.023 121.223 0.061 0.000 2.201 62 L HA 0.262 4.602 4.340 0.001 0.000 0.212 62 L C 2.049 179.011 176.870 0.153 0.000 1.105 62 L CA 1.662 56.538 54.840 0.060 0.000 0.775 62 L CB -0.850 41.205 42.059 -0.008 0.000 0.913 62 L HN 0.518 nan 8.230 nan 0.000 0.440 63 G N -1.967 106.888 108.800 0.092 0.000 3.651 63 G HA2 0.521 4.481 3.960 0.001 0.000 0.279 63 G HA3 0.521 4.481 3.960 0.001 0.000 0.279 63 G C 0.172 174.926 174.900 -0.243 0.000 1.024 63 G CA 0.402 45.361 45.100 -0.234 0.000 0.813 63 G HN 0.438 nan 8.290 nan 0.000 0.518 64 A N -0.563 122.178 122.820 -0.131 0.000 2.288 64 A HA 0.974 5.295 4.320 0.001 0.000 0.328 64 A C 0.324 177.863 177.584 -0.075 0.000 1.123 64 A CA -0.083 51.880 52.037 -0.124 0.000 0.861 64 A CB 1.566 20.493 19.000 -0.121 0.000 1.272 64 A HN 0.777 nan 8.150 nan 0.000 0.490 65 G N -1.404 107.355 108.800 -0.069 0.000 2.766 65 G HA2 0.677 4.638 3.960 0.001 0.000 0.288 65 G HA3 0.677 4.638 3.960 0.001 0.000 0.288 65 G C 0.229 175.109 174.900 -0.034 0.000 1.408 65 G CA 0.781 45.855 45.100 -0.042 0.000 0.852 65 G HN 2.374 nan 8.290 nan 0.000 0.487 66 S N -0.745 114.943 115.700 -0.021 0.000 3.917 66 S HA -0.378 4.093 4.470 0.001 0.000 0.601 66 S C 2.176 176.767 174.600 -0.014 0.000 2.206 66 S CA 3.092 61.283 58.200 -0.014 0.000 4.167 66 S CB -1.802 61.391 63.200 -0.011 0.000 0.372 66 S HN 2.432 nan 8.310 nan 0.000 0.766 67 S N 0.270 115.964 115.700 -0.009 0.000 2.447 67 S HA -0.015 4.455 4.470 0.001 0.000 0.233 67 S C 1.750 176.339 174.600 -0.018 0.000 1.006 67 S CA 1.589 59.785 58.200 -0.006 0.000 0.957 67 S CB -1.316 61.888 63.200 0.007 0.000 0.773 67 S HN 0.865 nan 8.310 nan 0.000 0.507 68 T N 2.278 116.812 114.554 -0.033 0.000 2.737 68 T HA -0.032 4.318 4.350 0.001 0.000 0.265 68 T C 1.751 176.403 174.700 -0.079 0.000 1.038 68 T CA 1.628 63.687 62.100 -0.069 0.000 1.144 68 T CB -0.293 68.517 68.868 -0.096 0.000 0.866 68 T HN 0.618 nan 8.240 nan 0.000 0.434 69 K N 0.551 120.914 120.400 -0.062 0.000 1.985 69 K HA -0.087 4.233 4.320 0.001 0.000 0.210 69 K C 2.344 178.918 176.600 -0.043 0.000 1.047 69 K CA 1.270 57.526 56.287 -0.052 0.000 0.932 69 K CB -0.170 32.315 32.500 -0.025 0.000 0.716 69 K HN 0.070 nan 8.250 nan 0.000 0.439 70 M N 1.153 120.737 119.600 -0.028 0.000 2.106 70 M HA -0.233 4.248 4.480 0.001 0.000 0.259 70 M C 2.184 178.467 176.300 -0.028 0.000 1.068 70 M CA 1.677 56.964 55.300 -0.022 0.000 1.100 70 M CB -1.191 31.402 32.600 -0.012 0.000 1.351 70 M HN 0.341 nan 8.290 nan 0.000 0.404 71 Q N -0.077 119.705 119.800 -0.030 0.000 2.096 71 Q HA -0.155 4.185 4.340 0.001 0.000 0.204 71 Q C 2.095 178.069 176.000 -0.043 0.000 0.982 71 Q CA 1.380 57.169 55.803 -0.024 0.000 0.850 71 Q CB -0.078 28.646 28.738 -0.022 0.000 0.901 71 Q HN 0.514 nan 8.270 nan 0.000 0.422 72 I N 0.011 120.538 120.570 -0.072 0.000 2.193 72 I HA -0.291 3.879 4.170 0.001 0.000 0.240 72 I C 2.078 178.121 176.117 -0.124 0.000 1.084 72 I CA 0.868 62.103 61.300 -0.108 0.000 1.365 72 I CB -0.197 37.726 38.000 -0.128 0.000 1.064 72 I HN 0.220 nan 8.210 nan 0.000 0.410 73 L N 0.270 121.441 121.223 -0.086 0.000 2.017 73 L HA -0.219 4.122 4.340 0.001 0.000 0.208 73 L C 2.478 179.307 176.870 -0.068 0.000 1.073 73 L CA 1.642 56.438 54.840 -0.074 0.000 0.745 73 L CB -0.736 41.299 42.059 -0.040 0.000 0.894 73 L HN 0.286 nan 8.230 nan 0.000 0.432 74 E N 0.112 120.284 120.200 -0.047 0.000 2.107 74 E HA -0.126 4.224 4.350 0.001 0.000 0.191 74 E C 2.258 178.841 176.600 -0.028 0.000 0.982 74 E CA 0.912 57.295 56.400 -0.027 0.000 0.809 74 E CB -0.284 29.410 29.700 -0.010 0.000 0.756 74 E HN 0.546 nan 8.360 nan 0.000 0.459 75 G N 1.332 110.106 108.800 -0.044 0.000 2.432 75 G HA2 -0.222 3.739 3.960 0.001 0.000 0.219 75 G HA3 -0.222 3.739 3.960 0.001 0.000 0.219 75 G C 1.512 176.336 174.900 -0.126 0.000 1.135 75 G CA 0.360 45.446 45.100 -0.023 0.000 0.767 75 G HN 0.109 nan 8.290 nan 0.000 0.550 76 L N 0.261 121.307 121.223 -0.295 0.000 2.478 76 L HA 0.194 4.535 4.340 0.001 0.000 0.223 76 L C 2.031 178.802 176.870 -0.164 0.000 1.140 76 L CA 0.471 55.007 54.840 -0.508 0.000 0.842 76 L CB -0.143 41.660 42.059 -0.428 0.000 0.953 76 L HN 0.388 nan 8.230 nan 0.000 0.452 77 G N 0.357 109.125 108.800 -0.052 0.000 2.160 77 G HA2 -0.247 3.713 3.960 0.001 0.000 0.244 77 G HA3 -0.247 3.713 3.960 0.001 0.000 0.244 77 G C -0.103 174.799 174.900 0.002 0.000 1.022 77 G CA -0.378 44.731 45.100 0.014 0.000 0.741 77 G HN 0.085 nan 8.290 nan 0.000 0.508 78 L N 0.674 121.886 121.223 -0.018 0.000 2.426 78 L HA 0.346 4.687 4.340 0.001 0.000 0.271 78 L C 0.875 177.734 176.870 -0.017 0.000 1.169 78 L CA -0.597 54.234 54.840 -0.017 0.000 0.836 78 L CB 0.776 42.827 42.059 -0.014 0.000 1.112 78 L HN 0.249 nan 8.230 nan 0.000 0.465 79 N N 2.970 121.656 118.700 -0.025 0.000 2.807 79 N HA 0.091 4.831 4.740 0.001 0.000 0.259 79 N C 0.806 176.302 175.510 -0.023 0.000 1.149 79 N CA 0.097 53.135 53.050 -0.020 0.000 1.042 79 N CB 0.255 38.728 38.487 -0.023 0.000 1.367 79 N HN 0.576 nan 8.380 nan 0.000 0.516 80 L N 1.253 122.466 121.223 -0.017 0.000 2.291 80 L HA -0.100 4.241 4.340 0.001 0.000 0.214 80 L C 2.349 179.212 176.870 -0.011 0.000 1.120 80 L CA 0.619 55.450 54.840 -0.014 0.000 0.799 80 L CB -0.141 41.911 42.059 -0.010 0.000 0.925 80 L HN 0.546 nan 8.230 nan 0.000 0.446 81 Q N 1.052 120.846 119.800 -0.009 0.000 2.050 81 Q HA -0.278 4.063 4.340 0.001 0.000 0.202 81 Q C 2.247 178.241 176.000 -0.009 0.000 0.980 81 Q CA 1.928 57.727 55.803 -0.007 0.000 0.840 81 Q CB 0.097 28.831 28.738 -0.006 0.000 0.898 81 Q HN 0.379 nan 8.270 nan 0.000 0.424 82 K N -0.663 119.729 120.400 -0.013 0.000 2.137 82 K HA 0.033 4.353 4.320 0.001 0.000 0.202 82 K C -0.195 176.394 176.600 -0.018 0.000 1.052 82 K CA 0.749 57.027 56.287 -0.016 0.000 0.961 82 K CB 0.400 32.889 32.500 -0.019 0.000 0.741 82 K HN 0.036 nan 8.250 nan 0.000 0.452 83 S N 0.239 115.925 115.700 -0.022 0.000 2.566 83 S HA 0.264 4.735 4.470 0.001 0.000 0.298 83 S C -0.764 173.827 174.600 -0.015 0.000 1.083 83 S CA -1.014 57.172 58.200 -0.024 0.000 0.978 83 S CB 1.837 65.013 63.200 -0.041 0.000 1.073 83 S HN 0.367 nan 8.310 nan 0.000 0.491 84 S N 0.746 116.442 115.700 -0.006 0.000 2.614 84 S HA 0.269 4.740 4.470 0.001 0.000 0.265 84 S C 0.817 175.425 174.600 0.014 0.000 1.303 84 S CA -0.634 57.572 58.200 0.009 0.000 1.000 84 S CB 0.366 63.577 63.200 0.018 0.000 0.935 84 S HN 0.741 nan 8.310 nan 0.000 0.551 85 E N 0.853 121.075 120.200 0.037 0.000 2.085 85 E HA -0.217 4.133 4.350 0.001 0.000 0.194 85 E C 1.876 178.554 176.600 0.129 0.000 0.994 85 E CA 1.240 57.676 56.400 0.059 0.000 0.801 85 E CB -0.194 29.581 29.700 0.126 0.000 0.743 85 E HN 0.730 nan 8.360 nan 0.000 0.453 86 K N 1.100 121.587 120.400 0.144 0.000 2.063 86 K HA -0.222 4.098 4.320 0.001 0.000 0.208 86 K C 1.902 178.565 176.600 0.105 0.000 1.048 86 K CA 1.608 57.989 56.287 0.157 0.000 0.928 86 K CB 0.064 32.617 32.500 0.089 0.000 0.713 86 K HN 0.125 nan 8.250 nan 0.000 0.442 87 E N 0.418 120.643 120.200 0.041 0.000 2.150 87 E HA -0.165 4.186 4.350 0.001 0.000 0.193 87 E C 2.095 178.675 176.600 -0.034 0.000 0.985 87 E CA 0.907 57.307 56.400 0.001 0.000 0.814 87 E CB -0.029 29.661 29.700 -0.018 0.000 0.752 87 E HN 0.291 nan 8.360 nan 0.000 0.466 88 L N 0.635 121.823 121.223 -0.058 0.000 2.056 88 L HA -0.176 4.164 4.340 0.001 0.000 0.207 88 L C 2.554 179.389 176.870 -0.060 0.000 1.078 88 L CA 1.010 55.770 54.840 -0.134 0.000 0.749 88 L CB -0.553 41.421 42.059 -0.143 0.000 0.901 88 L HN 0.236 nan 8.230 nan 0.000 0.433 89 H N -0.252 118.924 119.070 0.176 0.000 2.353 89 H HA -0.092 4.464 4.556 0.001 0.000 0.300 89 H C 2.453 177.828 175.328 0.078 0.000 1.090 89 H CA 1.115 57.313 56.048 0.249 0.000 1.327 89 H CB -0.077 29.807 29.762 0.203 0.000 1.383 89 H HN 0.173 nan 8.280 nan 0.000 0.508 90 R N 0.430 121.000 120.500 0.118 0.000 2.091 90 R HA -0.105 4.235 4.340 0.001 0.000 0.238 90 R C 2.496 178.771 176.300 -0.042 0.000 1.136 90 R CA 1.048 57.157 56.100 0.015 0.000 0.959 90 R CB -0.869 29.432 30.300 0.003 0.000 0.856 90 R HN 0.411 nan 8.270 nan 0.000 0.437 91 G N 0.158 108.901 108.800 -0.095 0.000 2.480 91 G HA2 -0.264 3.696 3.960 0.001 0.000 0.216 91 G HA3 -0.264 3.696 3.960 0.001 0.000 0.216 91 G C 1.294 176.067 174.900 -0.211 0.000 1.200 91 G CA 0.681 45.654 45.100 -0.211 0.000 0.782 91 G HN 0.218 nan 8.290 nan 0.000 0.554 92 F N 1.070 120.988 119.950 -0.054 0.000 2.134 92 F HA -0.078 4.449 4.527 0.001 0.000 0.299 92 F C 2.908 178.600 175.800 -0.181 0.000 1.097 92 F CA 1.611 59.574 58.000 -0.061 0.000 1.264 92 F CB -0.679 38.361 39.000 0.066 0.000 1.001 92 F HN 0.261 nan 8.300 nan 0.000 0.479 93 Q N 0.402 120.142 119.800 -0.100 0.000 2.061 93 Q HA -0.303 4.037 4.340 0.001 0.000 0.204 93 Q C 2.324 178.260 176.000 -0.107 0.000 0.984 93 Q CA 2.056 57.726 55.803 -0.222 0.000 0.846 93 Q CB -0.406 28.202 28.738 -0.216 0.000 0.902 93 Q HN 0.552 nan 8.270 nan 0.000 0.421 94 Q N -0.172 119.585 119.800 -0.072 0.000 2.084 94 Q HA -0.192 4.148 4.340 0.001 0.000 0.202 94 Q C 2.207 178.187 176.000 -0.034 0.000 0.978 94 Q CA 1.433 57.206 55.803 -0.051 0.000 0.844 94 Q CB -0.140 28.567 28.738 -0.051 0.000 0.898 94 Q HN 0.472 nan 8.270 nan 0.000 0.426 95 L N 0.652 121.857 121.223 -0.029 0.000 2.046 95 L HA -0.169 4.171 4.340 0.001 0.000 0.208 95 L C 2.054 178.933 176.870 0.016 0.000 1.077 95 L CA 1.565 56.404 54.840 -0.001 0.000 0.747 95 L CB -0.744 41.323 42.059 0.014 0.000 0.896 95 L HN 0.357 nan 8.230 nan 0.000 0.432 96 L N -0.801 120.429 121.223 0.013 0.000 2.012 96 L HA -0.292 4.048 4.340 0.001 0.000 0.210 96 L C 2.697 179.560 176.870 -0.011 0.000 1.073 96 L CA 1.858 56.699 54.840 0.002 0.000 0.748 96 L CB -0.329 41.713 42.059 -0.028 0.000 0.891 96 L HN 0.477 nan 8.230 nan 0.000 0.431 97 Q N -0.482 119.304 119.800 -0.023 0.000 2.096 97 Q HA -0.279 4.061 4.340 0.001 0.000 0.204 97 Q C 1.907 177.908 176.000 0.001 0.000 0.982 97 Q CA 1.918 57.712 55.803 -0.016 0.000 0.850 97 Q CB -0.190 28.535 28.738 -0.022 0.000 0.901 97 Q HN 0.621 nan 8.270 nan 0.000 0.422 98 E N 0.480 120.686 120.200 0.010 0.000 2.204 98 E HA -0.112 4.238 4.350 0.001 0.000 0.194 98 E C 1.998 178.625 176.600 0.045 0.000 0.989 98 E CA 0.602 57.021 56.400 0.032 0.000 0.824 98 E CB 0.023 29.745 29.700 0.037 0.000 0.756 98 E HN 0.336 nan 8.360 nan 0.000 0.477 99 L N 0.967 122.205 121.223 0.025 0.000 2.095 99 L HA -0.088 4.252 4.340 0.001 0.000 0.204 99 L C 1.861 178.719 176.870 -0.021 0.000 1.080 99 L CA 0.642 55.486 54.840 0.007 0.000 0.759 99 L CB -0.262 41.788 42.059 -0.014 0.000 0.914 99 L HN 0.103 nan 8.230 nan 0.000 0.439 100 N N 0.171 118.860 118.700 -0.018 0.000 2.515 100 N HA -0.105 4.635 4.740 0.001 0.000 0.185 100 N C 0.716 176.222 175.510 -0.007 0.000 1.109 100 N CA 0.255 53.290 53.050 -0.024 0.000 0.903 100 N CB 0.029 38.506 38.487 -0.017 0.000 0.969 100 N HN 0.407 nan 8.380 nan 0.000 0.450 101 Q N 3.003 122.810 119.800 0.011 0.000 2.244 101 Q HA 0.057 4.398 4.340 0.001 0.000 0.276 101 Q C -2.239 173.783 176.000 0.037 0.000 1.122 101 Q CA -1.415 54.405 55.803 0.028 0.000 0.920 101 Q CB 0.612 29.376 28.738 0.044 0.000 1.186 101 Q HN 0.089 nan 8.270 nan 0.000 0.393 102 P HA -0.074 nan 4.420 nan 0.000 0.261 102 P C -1.220 176.118 177.300 0.064 0.000 1.183 102 P CA 0.722 63.841 63.100 0.032 0.000 0.761 102 P CB 0.373 32.088 31.700 0.025 0.000 0.785 103 R N 3.396 123.948 120.500 0.088 0.000 2.473 103 R HA 0.130 4.470 4.340 0.001 0.000 0.303 103 R C 1.130 177.510 176.300 0.133 0.000 1.002 103 R CA -0.654 55.535 56.100 0.147 0.000 0.884 103 R CB 1.338 31.821 30.300 0.306 0.000 1.173 103 R HN 0.530 nan 8.270 nan 0.000 0.464 104 D N 2.639 123.095 120.400 0.093 0.000 2.210 104 D HA -0.299 4.342 4.640 0.001 0.000 0.613 104 D C 0.573 176.915 176.300 0.069 0.000 0.583 104 D CA 2.176 56.220 54.000 0.072 0.000 1.621 104 D CB -0.498 40.344 40.800 0.070 0.000 0.176 104 D HN 0.672 nan 8.370 nan 0.000 0.189 105 G N -0.789 108.064 108.800 0.088 0.000 4.829 105 G HA2 0.427 4.388 3.960 0.001 0.000 0.320 105 G HA3 0.427 4.388 3.960 0.001 0.000 0.320 105 G C -0.846 174.124 174.900 0.118 0.000 1.445 105 G CA -0.445 44.693 45.100 0.062 0.000 1.151 105 G HN 0.386 nan 8.290 nan 0.000 0.572 106 F N 0.820 120.711 119.950 -0.098 0.000 2.526 106 F HA 0.339 4.866 4.527 0.001 0.000 0.379 106 F C -0.317 175.422 175.800 -0.102 0.000 1.506 106 F CA -0.768 57.147 58.000 -0.142 0.000 1.076 106 F CB 0.733 39.713 39.000 -0.034 0.000 1.746 106 F HN 0.068 nan 8.300 nan 0.000 0.520 107 Q N 2.873 122.514 119.800 -0.265 0.000 2.344 107 Q HA 0.257 4.598 4.340 0.001 0.000 0.253 107 Q C -0.739 175.081 176.000 -0.300 0.000 1.050 107 Q CA -0.263 55.398 55.803 -0.236 0.000 0.912 107 Q CB 1.703 30.372 28.738 -0.115 0.000 1.258 107 Q HN 0.547 nan 8.270 nan 0.000 0.443 108 L N 2.242 123.283 121.223 -0.304 0.000 2.275 108 L HA 0.332 4.673 4.340 0.001 0.000 0.288 108 L C -0.335 176.392 176.870 -0.239 0.000 1.046 108 L CA 0.127 54.841 54.840 -0.210 0.000 0.805 108 L CB 1.690 43.627 42.059 -0.204 0.000 1.193 108 L HN 0.416 nan 8.230 nan 0.000 0.426 109 S N 6.218 121.671 115.700 -0.412 0.000 2.733 109 S HA 0.752 5.222 4.470 0.001 0.000 0.307 109 S C -1.102 173.219 174.600 -0.466 0.000 1.127 109 S CA -0.714 57.154 58.200 -0.552 0.000 1.097 109 S CB 0.071 62.649 63.200 -1.037 0.000 1.003 109 S HN 0.520 nan 8.310 nan 0.000 0.477 110 L N 2.515 123.612 121.223 -0.211 0.000 2.354 110 L HA 1.112 5.452 4.340 0.001 0.000 0.264 110 L C 0.052 176.771 176.870 -0.252 0.000 1.008 110 L CA -0.911 53.815 54.840 -0.190 0.000 0.819 110 L CB 1.038 43.009 42.059 -0.148 0.000 1.339 110 L HN 0.603 nan 8.230 nan 0.000 0.420 111 G N 0.533 108.900 108.800 -0.722 0.000 2.696 111 G HA2 0.613 4.574 3.960 0.001 0.000 0.295 111 G HA3 0.613 4.574 3.960 0.001 0.000 0.295 111 G C -1.717 172.803 174.900 -0.633 0.000 1.398 111 G CA -0.658 44.041 45.100 -0.668 0.000 0.920 111 G HN 0.610 nan 8.290 nan 0.000 0.492 112 N N -0.465 118.148 118.700 -0.146 0.000 2.249 112 N HA 0.739 5.480 4.740 0.001 0.000 0.296 112 N C -0.980 174.628 175.510 0.163 0.000 1.051 112 N CA -0.289 52.764 53.050 0.004 0.000 0.815 112 N CB 2.446 40.926 38.487 -0.011 0.000 1.487 112 N HN 0.903 nan 8.380 nan 0.000 0.475 113 A N 1.492 124.457 122.820 0.241 0.000 2.547 113 A HA 0.596 4.916 4.320 0.001 0.000 0.297 113 A C -1.804 175.865 177.584 0.143 0.000 1.056 113 A CA -0.516 51.634 52.037 0.188 0.000 0.688 113 A CB 1.391 20.664 19.000 0.455 0.000 1.282 113 A HN 0.475 nan 8.150 nan 0.000 0.400 114 L N 1.664 122.824 121.223 -0.105 0.000 2.322 114 L HA 0.841 5.181 4.340 0.001 0.000 0.281 114 L C -1.671 175.098 176.870 -0.167 0.000 1.014 114 L CA -0.379 54.466 54.840 0.008 0.000 0.815 114 L CB 0.932 43.001 42.059 0.018 0.000 1.247 114 L HN 0.539 nan 8.230 nan 0.000 0.421 115 F N 2.481 122.545 119.950 0.191 0.000 2.427 115 F HA 0.568 5.095 4.527 0.001 0.000 0.348 115 F C 0.278 176.264 175.800 0.309 0.000 1.125 115 F CA -0.604 57.534 58.000 0.231 0.000 0.989 115 F CB 1.924 41.097 39.000 0.289 0.000 1.165 115 F HN 0.467 nan 8.300 nan 0.000 0.442 116 T N -0.707 114.029 114.554 0.302 0.000 2.829 116 T HA 0.374 4.725 4.350 0.001 0.000 0.280 116 T C -0.606 174.216 174.700 0.204 0.000 0.999 116 T CA -0.969 61.293 62.100 0.269 0.000 0.983 116 T CB 1.717 70.645 68.868 0.100 0.000 0.968 116 T HN 0.441 nan 8.240 nan 0.000 0.446 117 D N 1.316 121.903 120.400 0.311 0.000 2.449 117 D HA 0.048 4.688 4.640 0.001 0.000 0.236 117 D C 1.265 177.591 176.300 0.043 0.000 1.149 117 D CA -0.563 53.554 54.000 0.196 0.000 0.878 117 D CB 0.482 41.457 40.800 0.291 0.000 1.198 117 D HN 0.303 nan 8.370 nan 0.000 0.446 118 L N 3.682 124.908 121.223 0.006 0.000 2.064 118 L HA -0.174 4.166 4.340 0.001 0.000 0.216 118 L C 2.335 179.217 176.870 0.020 0.000 1.077 118 L CA 1.337 56.180 54.840 0.004 0.000 0.766 118 L CB -1.119 40.941 42.059 0.002 0.000 0.890 118 L HN 0.566 nan 8.230 nan 0.000 0.435 119 V N -0.530 119.402 119.914 0.029 0.000 3.078 119 V HA -0.036 4.085 4.120 0.001 0.000 0.265 119 V C 0.965 177.090 176.094 0.052 0.000 1.122 119 V CA 0.472 62.809 62.300 0.060 0.000 1.141 119 V CB 0.172 32.061 31.823 0.111 0.000 0.735 119 V HN 0.154 nan 8.190 nan 0.000 0.498 120 V N 1.420 121.299 119.914 -0.058 0.000 2.385 120 V HA 0.416 4.537 4.120 0.001 0.000 0.269 120 V C -0.472 175.627 176.094 0.008 0.000 1.043 120 V CA -0.820 61.436 62.300 -0.073 0.000 0.906 120 V CB 1.019 32.729 31.823 -0.188 0.000 0.995 120 V HN 0.369 nan 8.190 nan 0.000 0.467 121 D N 6.285 126.715 120.400 0.049 0.000 2.256 121 D HA 0.442 5.083 4.640 0.001 0.000 0.250 121 D C -0.282 176.028 176.300 0.016 0.000 1.093 121 D CA 0.182 54.201 54.000 0.032 0.000 0.882 121 D CB 1.959 42.783 40.800 0.040 0.000 1.185 121 D HN 0.527 nan 8.370 nan 0.000 0.437 122 L N 1.826 123.056 121.223 0.013 0.000 2.334 122 L HA 0.203 4.543 4.340 0.001 0.000 0.275 122 L C 0.528 177.416 176.870 0.031 0.000 1.036 122 L CA -0.945 53.907 54.840 0.019 0.000 0.807 122 L CB 1.010 43.094 42.059 0.043 0.000 1.231 122 L HN -0.003 nan 8.230 nan 0.000 0.438 123 Q N 2.128 121.952 119.800 0.040 0.000 2.281 123 Q HA 0.038 4.378 4.340 0.001 0.000 0.267 123 Q C 0.315 176.361 176.000 0.077 0.000 1.053 123 Q CA 0.040 55.872 55.803 0.049 0.000 0.905 123 Q CB 0.934 29.699 28.738 0.043 0.000 1.195 123 Q HN 0.541 nan 8.270 nan 0.000 0.398 124 D N 1.574 121.997 120.400 0.038 0.000 2.228 124 D HA -0.164 4.477 4.640 0.001 0.000 0.203 124 D C 1.551 177.862 176.300 0.019 0.000 0.988 124 D CA 1.970 55.981 54.000 0.019 0.000 0.864 124 D CB 0.156 40.957 40.800 0.002 0.000 0.928 124 D HN 0.653 nan 8.370 nan 0.000 0.469 125 T N -0.779 113.798 114.554 0.038 0.000 2.708 125 T HA -0.208 4.143 4.350 0.001 0.000 0.266 125 T C 1.955 176.682 174.700 0.045 0.000 1.037 125 T CA 0.733 62.852 62.100 0.032 0.000 1.146 125 T CB -0.836 68.056 68.868 0.040 0.000 0.865 125 T HN 0.104 nan 8.240 nan 0.000 0.435 126 F N 2.389 122.303 119.950 -0.059 0.000 2.051 126 F HA -0.023 4.504 4.527 0.001 0.000 0.296 126 F C 2.391 178.144 175.800 -0.078 0.000 1.122 126 F CA 0.909 58.866 58.000 -0.073 0.000 1.201 126 F CB -0.763 38.191 39.000 -0.077 0.000 0.978 126 F HN -0.026 nan 8.300 nan 0.000 0.472 127 V N 0.736 120.611 119.914 -0.066 0.000 2.282 127 V HA -0.379 3.742 4.120 0.001 0.000 0.249 127 V C 2.715 178.668 176.094 -0.235 0.000 1.057 127 V CA 2.304 64.485 62.300 -0.198 0.000 1.032 127 V CB -1.365 30.414 31.823 -0.074 0.000 0.645 127 V HN 0.631 nan 8.190 nan 0.000 0.447 128 S N 0.976 116.588 115.700 -0.146 0.000 2.348 128 S HA -0.176 4.294 4.470 0.001 0.000 0.221 128 S C 2.180 176.693 174.600 -0.144 0.000 1.033 128 S CA 1.438 59.566 58.200 -0.121 0.000 1.010 128 S CB -0.810 62.347 63.200 -0.072 0.000 0.891 128 S HN 0.619 nan 8.310 nan 0.000 0.442 129 A N 2.920 125.647 122.820 -0.154 0.000 1.884 129 A HA -0.122 4.199 4.320 0.001 0.000 0.219 129 A C 2.474 179.964 177.584 -0.156 0.000 1.197 129 A CA 2.218 54.172 52.037 -0.140 0.000 0.637 129 A CB -0.981 17.934 19.000 -0.142 0.000 0.827 129 A HN 0.547 nan 8.150 nan 0.000 0.450 130 M N -0.942 118.455 119.600 -0.338 0.000 2.088 130 M HA -0.189 4.291 4.480 0.001 0.000 0.256 130 M C 2.239 178.451 176.300 -0.147 0.000 1.071 130 M CA 1.979 57.080 55.300 -0.331 0.000 1.097 130 M CB -0.919 31.297 32.600 -0.639 0.000 1.315 130 M HN 0.370 nan 8.290 nan 0.000 0.406 131 K N 0.204 120.500 120.400 -0.173 0.000 2.057 131 K HA -0.102 4.218 4.320 0.001 0.000 0.206 131 K C 1.934 178.493 176.600 -0.068 0.000 1.050 131 K CA 2.091 58.310 56.287 -0.114 0.000 0.935 131 K CB -0.406 32.018 32.500 -0.127 0.000 0.715 131 K HN 0.559 nan 8.250 nan 0.000 0.439 132 T N -1.466 113.046 114.554 -0.071 0.000 3.044 132 T HA -0.025 4.326 4.350 0.001 0.000 0.255 132 T C 1.829 176.488 174.700 -0.068 0.000 1.073 132 T CA 0.355 62.420 62.100 -0.058 0.000 1.125 132 T CB 0.026 68.861 68.868 -0.055 0.000 0.908 132 T HN 0.086 nan 8.240 nan 0.000 0.480 133 L N -0.900 120.282 121.223 -0.069 0.000 2.354 133 L HA 0.445 4.785 4.340 0.001 0.000 0.212 133 L C 0.950 177.637 176.870 -0.306 0.000 1.091 133 L CA 1.027 55.778 54.840 -0.148 0.000 0.828 133 L CB -0.035 41.970 42.059 -0.090 0.000 0.973 133 L HN 0.245 nan 8.230 nan 0.000 0.461 134 Y N -1.606 118.644 120.300 -0.083 0.000 2.588 134 Y HA 0.343 4.893 4.550 0.001 0.000 0.247 134 Y C 0.414 176.272 175.900 -0.070 0.000 1.157 134 Y CA -0.790 57.268 58.100 -0.071 0.000 1.215 134 Y CB 0.541 38.940 38.460 -0.102 0.000 1.245 134 Y HN -0.148 nan 8.280 nan 0.000 0.534 135 L N -0.609 120.633 121.223 0.032 0.000 3.976 135 L HA -0.266 4.074 4.340 0.001 0.000 0.418 135 L C 0.360 177.245 176.870 0.025 0.000 1.177 135 L CA 0.791 55.640 54.840 0.016 0.000 0.968 135 L CB -2.247 39.822 42.059 0.016 0.000 1.933 135 L HN 0.216 nan 8.230 nan 0.000 0.976 136 A N -1.115 121.705 122.820 -0.001 0.000 2.317 136 A HA 0.699 5.020 4.320 0.001 0.000 0.327 136 A C 0.310 177.816 177.584 -0.130 0.000 1.178 136 A CA -0.643 51.376 52.037 -0.031 0.000 0.817 136 A CB 0.862 19.830 19.000 -0.053 0.000 1.189 136 A HN 0.199 nan 8.150 nan 0.000 0.489 137 D N 0.599 120.900 120.400 -0.165 0.000 2.387 137 D HA 0.632 5.273 4.640 0.001 0.000 0.255 137 D C -0.464 175.441 176.300 -0.659 0.000 1.081 137 D CA 0.244 53.974 54.000 -0.451 0.000 0.994 137 D CB 1.607 42.057 40.800 -0.583 0.000 1.127 137 D HN 0.424 nan 8.370 nan 0.000 0.513 138 T N 0.445 114.432 114.554 -0.946 0.000 2.921 138 T HA 0.530 4.881 4.350 0.001 0.000 0.297 138 T C -0.921 173.150 174.700 -1.048 0.000 1.013 138 T CA -0.530 61.115 62.100 -0.757 0.000 0.990 138 T CB 0.625 69.278 68.868 -0.358 0.000 1.023 138 T HN 0.101 nan 8.240 nan 0.000 0.447 139 F N 2.569 122.236 119.950 -0.472 0.000 2.536 139 F HA 0.460 4.987 4.527 0.001 0.000 0.322 139 F C -2.533 173.152 175.800 -0.192 0.000 1.144 139 F CA -2.540 55.236 58.000 -0.375 0.000 0.924 139 F CB 1.749 40.413 39.000 -0.560 0.000 1.181 139 F HN 0.256 nan 8.300 nan 0.000 0.438 140 P HA 0.251 nan 4.420 nan 0.000 0.268 140 P C -0.713 176.588 177.300 0.001 0.000 1.205 140 P CA 0.192 63.303 63.100 0.018 0.000 0.771 140 P CB 0.792 32.498 31.700 0.011 0.000 0.858 141 T N 1.592 116.082 114.554 -0.107 0.000 2.956 141 T HA 0.276 4.626 4.350 0.001 0.000 0.312 141 T C -0.733 173.730 174.700 -0.395 0.000 1.151 141 T CA -0.591 61.341 62.100 -0.280 0.000 1.024 141 T CB 0.918 69.484 68.868 -0.505 0.000 1.140 141 T HN 0.188 nan 8.240 nan 0.000 0.473 142 N N 1.689 120.207 118.700 -0.302 0.000 2.602 142 N HA 0.244 4.984 4.740 0.001 0.000 0.238 142 N C -0.019 175.373 175.510 -0.197 0.000 1.084 142 N CA -0.892 52.047 53.050 -0.185 0.000 0.952 142 N CB -0.285 38.152 38.487 -0.083 0.000 1.244 142 N HN 0.440 nan 8.380 nan 0.000 0.512 143 F N 1.508 121.472 119.950 0.023 0.000 2.699 143 F HA 0.130 4.657 4.527 0.001 0.000 0.298 143 F C 1.908 177.712 175.800 0.008 0.000 1.154 143 F CA 0.187 58.195 58.000 0.014 0.000 1.457 143 F CB 0.186 39.194 39.000 0.014 0.000 1.106 143 F HN 0.407 nan 8.300 nan 0.000 0.585 144 R N -0.231 120.353 120.500 0.139 0.000 2.189 144 R HA -0.071 4.269 4.340 0.001 0.000 0.218 144 R C 0.241 176.581 176.300 0.067 0.000 1.074 144 R CA 0.668 56.823 56.100 0.092 0.000 0.991 144 R CB -0.712 29.625 30.300 0.060 0.000 0.883 144 R HN 0.185 nan 8.270 nan 0.000 0.457 145 D N 0.719 121.149 120.400 0.050 0.000 2.505 145 D HA 0.056 4.697 4.640 0.001 0.000 0.242 145 D C 0.935 177.262 176.300 0.046 0.000 1.136 145 D CA -0.127 53.892 54.000 0.031 0.000 0.954 145 D CB 0.682 41.484 40.800 0.004 0.000 1.002 145 D HN -0.003 nan 8.370 nan 0.000 0.512 146 S N 2.283 118.025 115.700 0.069 0.000 2.365 146 S HA -0.272 4.198 4.470 0.001 0.000 0.225 146 S C 2.147 176.775 174.600 0.048 0.000 1.039 146 S CA 0.985 59.237 58.200 0.087 0.000 1.033 146 S CB -0.471 62.769 63.200 0.068 0.000 0.887 146 S HN 0.391 nan 8.310 nan 0.000 0.447 147 A N 1.944 124.778 122.820 0.023 0.000 1.908 147 A HA 0.181 4.501 4.320 0.001 0.000 0.218 147 A C 2.432 180.012 177.584 -0.006 0.000 1.181 147 A CA 1.700 53.740 52.037 0.005 0.000 0.627 147 A CB -1.752 17.248 19.000 0.001 0.000 0.818 147 A HN 0.699 nan 8.150 nan 0.000 0.445 148 G N -0.843 107.951 108.800 -0.009 0.000 2.408 148 G HA2 0.086 4.046 3.960 0.001 0.000 0.217 148 G HA3 0.086 4.046 3.960 0.001 0.000 0.217 148 G C 1.687 176.559 174.900 -0.046 0.000 1.150 148 G CA 1.257 46.342 45.100 -0.026 0.000 0.776 148 G HN 0.763 nan 8.290 nan 0.000 0.542 149 A N 0.469 123.265 122.820 -0.041 0.000 1.898 149 A HA 0.110 4.431 4.320 0.001 0.000 0.216 149 A C 2.314 179.859 177.584 -0.065 0.000 1.181 149 A CA 1.701 53.689 52.037 -0.082 0.000 0.620 149 A CB -0.362 18.614 19.000 -0.040 0.000 0.819 149 A HN 0.374 nan 8.150 nan 0.000 0.442 150 M N -0.621 118.969 119.600 -0.017 0.000 2.117 150 M HA -0.160 4.320 4.480 0.001 0.000 0.262 150 M C 2.188 178.450 176.300 -0.063 0.000 1.065 150 M CA 2.207 57.485 55.300 -0.036 0.000 1.114 150 M CB -0.168 32.425 32.600 -0.012 0.000 1.361 150 M HN 0.473 nan 8.290 nan 0.000 0.408 151 K N -0.104 120.266 120.400 -0.050 0.000 2.025 151 K HA -0.253 4.067 4.320 0.001 0.000 0.207 151 K C 2.074 178.641 176.600 -0.055 0.000 1.049 151 K CA 1.853 58.111 56.287 -0.047 0.000 0.933 151 K CB -0.333 32.146 32.500 -0.035 0.000 0.714 151 K HN 0.490 nan 8.250 nan 0.000 0.438 152 Q N 0.694 120.453 119.800 -0.067 0.000 2.096 152 Q HA -0.194 4.147 4.340 0.001 0.000 0.204 152 Q C 2.025 177.982 176.000 -0.072 0.000 0.982 152 Q CA 1.796 57.563 55.803 -0.060 0.000 0.850 152 Q CB -0.104 28.593 28.738 -0.067 0.000 0.901 152 Q HN 0.450 nan 8.270 nan 0.000 0.422 153 I N 1.017 121.456 120.570 -0.219 0.000 2.202 153 I HA -0.259 3.912 4.170 0.001 0.000 0.242 153 I C 1.875 177.942 176.117 -0.083 0.000 1.091 153 I CA 0.918 61.984 61.300 -0.389 0.000 1.368 153 I CB -0.336 37.289 38.000 -0.625 0.000 1.058 153 I HN 0.248 nan 8.210 nan 0.000 0.410 154 N N 0.822 119.477 118.700 -0.075 0.000 2.244 154 N HA -0.163 4.578 4.740 0.001 0.000 0.183 154 N C 1.390 176.879 175.510 -0.034 0.000 1.016 154 N CA 1.205 54.227 53.050 -0.047 0.000 0.866 154 N CB -0.394 38.061 38.487 -0.053 0.000 0.980 154 N HN 0.304 nan 8.380 nan 0.000 0.430 155 D N -0.341 120.050 120.400 -0.016 0.000 2.117 155 D HA -0.151 4.489 4.640 0.001 0.000 0.198 155 D C 1.800 178.104 176.300 0.007 0.000 0.982 155 D CA 0.671 54.663 54.000 -0.014 0.000 0.828 155 D CB -0.493 40.303 40.800 -0.008 0.000 0.967 155 D HN 0.300 nan 8.370 nan 0.000 0.464 156 Y N 1.737 122.010 120.300 -0.045 0.000 2.165 156 Y HA -0.234 4.317 4.550 0.001 0.000 0.286 156 Y C 2.128 178.038 175.900 0.017 0.000 1.155 156 Y CA 1.213 59.312 58.100 -0.003 0.000 1.164 156 Y CB -0.374 38.137 38.460 0.084 0.000 0.978 156 Y HN -0.195 nan 8.280 nan 0.000 0.513 157 V N 0.417 120.241 119.914 -0.149 0.000 2.548 157 V HA -0.237 3.883 4.120 0.001 0.000 0.249 157 V C 2.673 178.552 176.094 -0.359 0.000 1.055 157 V CA 1.427 63.509 62.300 -0.363 0.000 1.065 157 V CB -1.502 30.170 31.823 -0.251 0.000 0.681 157 V HN 0.568 nan 8.190 nan 0.000 0.462 158 A N 0.323 123.011 122.820 -0.219 0.000 1.883 158 A HA -0.254 4.066 4.320 0.001 0.000 0.217 158 A C 2.301 179.781 177.584 -0.172 0.000 1.186 158 A CA 2.101 54.031 52.037 -0.179 0.000 0.624 158 A CB -0.406 18.523 19.000 -0.119 0.000 0.822 158 A HN 0.554 nan 8.150 nan 0.000 0.444 159 K N -0.799 119.500 120.400 -0.169 0.000 2.057 159 K HA -0.114 4.207 4.320 0.001 0.000 0.206 159 K C 2.275 178.785 176.600 -0.150 0.000 1.050 159 K CA 1.250 57.457 56.287 -0.134 0.000 0.935 159 K CB -0.173 32.267 32.500 -0.101 0.000 0.715 159 K HN 0.392 nan 8.250 nan 0.000 0.439 160 Q N 0.113 119.753 119.800 -0.267 0.000 2.124 160 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 160 Q C 1.947 177.920 176.000 -0.045 0.000 0.977 160 Q CA 1.907 57.599 55.803 -0.185 0.000 0.850 160 Q CB -0.406 28.152 28.738 -0.299 0.000 0.901 160 Q HN 0.484 nan 8.270 nan 0.000 0.429 161 T N -2.927 111.562 114.554 -0.108 0.000 3.188 161 T HA 0.222 4.572 4.350 0.001 0.000 0.250 161 T C 0.245 174.928 174.700 -0.028 0.000 1.077 161 T CA -0.187 61.937 62.100 0.040 0.000 0.967 161 T CB 0.156 68.974 68.868 -0.084 0.000 1.006 161 T HN 0.012 nan 8.240 nan 0.000 0.552 162 K N 0.638 121.011 120.400 -0.046 0.000 3.035 162 K HA -0.148 4.173 4.320 0.001 0.000 0.262 162 K C 1.185 177.727 176.600 -0.097 0.000 1.024 162 K CA 0.914 57.170 56.287 -0.051 0.000 0.748 162 K CB -1.886 30.609 32.500 -0.007 0.000 1.247 162 K HN 0.973 nan 8.250 nan 0.000 0.482 163 G N -1.246 107.476 108.800 -0.130 0.000 2.175 163 G HA2 -0.383 3.578 3.960 0.001 0.000 0.244 163 G HA3 -0.383 3.578 3.960 0.001 0.000 0.244 163 G C 0.924 175.708 174.900 -0.193 0.000 0.982 163 G CA 0.489 45.505 45.100 -0.141 0.000 0.641 163 G HN 0.262 nan 8.290 nan 0.000 0.527 164 K N 0.468 120.696 120.400 -0.287 0.000 2.025 164 K HA 0.152 4.473 4.320 0.001 0.000 0.207 164 K C 1.036 177.441 176.600 -0.325 0.000 1.049 164 K CA 1.027 57.062 56.287 -0.421 0.000 0.933 164 K CB -0.189 31.768 32.500 -0.904 0.000 0.714 164 K HN 0.544 nan 8.250 nan 0.000 0.438 165 I N 1.947 122.344 120.570 -0.287 0.000 2.390 165 I HA 0.047 4.217 4.170 0.001 0.000 0.283 165 I C 0.851 176.865 176.117 -0.173 0.000 1.016 165 I CA -0.452 60.728 61.300 -0.199 0.000 1.151 165 I CB 1.857 39.752 38.000 -0.176 0.000 1.293 165 I HN -0.190 nan 8.210 nan 0.000 0.458 166 V N 0.938 120.774 119.914 -0.131 0.000 3.621 166 V HA 0.186 4.307 4.120 0.001 0.000 0.263 166 V C 0.446 176.491 176.094 -0.082 0.000 1.272 166 V CA 0.523 62.759 62.300 -0.107 0.000 1.080 166 V CB -0.071 31.696 31.823 -0.093 0.000 0.816 166 V HN 0.790 nan 8.190 nan 0.000 0.451 167 D N -0.089 120.267 120.400 -0.074 0.000 2.938 167 D HA 0.153 4.793 4.640 0.001 0.000 0.369 167 D C 1.102 177.373 176.300 -0.048 0.000 1.301 167 D CA -0.487 53.479 54.000 -0.057 0.000 0.805 167 D CB 0.749 41.519 40.800 -0.051 0.000 1.161 167 D HN 0.222 nan 8.370 nan 0.000 0.474 168 L N -0.060 121.135 121.223 -0.046 0.000 2.051 168 L HA -0.036 4.304 4.340 0.001 0.000 0.214 168 L C -0.095 176.765 176.870 -0.018 0.000 1.076 168 L CA 1.795 56.622 54.840 -0.022 0.000 0.758 168 L CB -0.176 41.884 42.059 0.002 0.000 0.890 168 L HN 0.224 nan 8.230 nan 0.000 0.433 169 L N -0.873 120.334 121.223 -0.025 0.000 2.317 169 L HA 0.320 4.661 4.340 0.001 0.000 0.281 169 L C 0.868 177.721 176.870 -0.029 0.000 1.024 169 L CA 0.166 54.991 54.840 -0.024 0.000 0.810 169 L CB 1.406 43.449 42.059 -0.027 0.000 1.240 169 L HN -0.062 nan 8.230 nan 0.000 0.427 170 K N 0.735 121.119 120.400 -0.027 0.000 2.399 170 K HA 0.332 4.652 4.320 0.001 0.000 0.196 170 K C -0.179 176.408 176.600 -0.022 0.000 1.103 170 K CA 0.318 56.589 56.287 -0.026 0.000 0.986 170 K CB 0.468 32.951 32.500 -0.029 0.000 0.952 170 K HN 0.483 nan 8.250 nan 0.000 0.541 171 N N -0.341 118.347 118.700 -0.020 0.000 2.610 171 N HA 0.410 5.151 4.740 0.001 0.000 0.264 171 N C -2.033 173.469 175.510 -0.013 0.000 1.348 171 N CA -0.670 52.370 53.050 -0.016 0.000 0.819 171 N CB 2.326 40.802 38.487 -0.018 0.000 1.521 171 N HN -0.147 nan 8.380 nan 0.000 0.497 172 L N 1.126 122.345 121.223 -0.008 0.000 2.641 172 L HA 0.337 4.678 4.340 0.001 0.000 0.261 172 L C -1.402 175.465 176.870 -0.004 0.000 0.926 172 L CA -0.433 54.404 54.840 -0.005 0.000 0.917 172 L CB 1.754 43.828 42.059 0.026 0.000 1.361 172 L HN 0.565 nan 8.230 nan 0.000 0.417 173 D N 1.201 121.583 120.400 -0.030 0.000 2.302 173 D HA 0.360 5.000 4.640 0.001 0.000 0.248 173 D C 0.832 177.122 176.300 -0.015 0.000 1.094 173 D CA 0.655 54.638 54.000 -0.028 0.000 0.897 173 D CB 1.530 42.301 40.800 -0.049 0.000 1.200 173 D HN 0.586 nan 8.370 nan 0.000 0.429 174 S N 1.334 117.042 115.700 0.012 0.000 2.607 174 S HA -0.048 4.423 4.470 0.001 0.000 0.224 174 S C 1.593 176.215 174.600 0.037 0.000 0.969 174 S CA 0.513 58.742 58.200 0.050 0.000 0.927 174 S CB -0.766 62.463 63.200 0.048 0.000 0.772 174 S HN 0.573 nan 8.310 nan 0.000 0.533 175 N N 1.053 119.745 118.700 -0.014 0.000 2.336 175 N HA 0.622 5.362 4.740 0.001 0.000 0.189 175 N C 0.640 176.097 175.510 -0.088 0.000 1.113 175 N CA 0.335 53.371 53.050 -0.024 0.000 0.858 175 N CB -0.282 38.191 38.487 -0.023 0.000 0.970 175 N HN 0.771 nan 8.380 nan 0.000 0.471 176 A N 0.088 122.780 122.820 -0.213 0.000 2.520 176 A HA 0.426 4.746 4.320 0.001 0.000 0.235 176 A C 1.701 179.035 177.584 -0.417 0.000 1.065 176 A CA 0.699 52.454 52.037 -0.469 0.000 0.764 176 A CB 0.365 18.780 19.000 -0.976 0.000 1.002 176 A HN 1.193 nan 8.150 nan 0.000 0.502 177 V N 1.396 121.128 119.914 -0.303 0.000 3.151 177 V HA 0.480 4.601 4.120 0.001 0.000 0.241 177 V C 0.407 176.500 176.094 -0.002 0.000 1.173 177 V CA 1.235 63.484 62.300 -0.086 0.000 1.154 177 V CB 0.049 31.822 31.823 -0.084 0.000 0.898 177 V HN 1.373 nan 8.190 nan 0.000 0.473 178 V N 1.198 121.049 119.914 -0.104 0.000 2.817 178 V HA 0.590 4.711 4.120 0.001 0.000 0.303 178 V C -1.659 174.442 176.094 0.010 0.000 1.151 178 V CA -0.584 61.751 62.300 0.059 0.000 0.929 178 V CB 2.066 33.922 31.823 0.054 0.000 1.030 178 V HN 0.357 nan 8.190 nan 0.000 0.427 179 I N 6.823 127.497 120.570 0.174 0.000 2.498 179 I HA 0.508 4.678 4.170 0.001 0.000 0.290 179 I C -0.402 175.895 176.117 0.301 0.000 1.032 179 I CA -0.582 60.822 61.300 0.172 0.000 1.073 179 I CB 2.027 40.110 38.000 0.138 0.000 1.251 179 I HN 0.712 nan 8.210 nan 0.000 0.426 180 M N 7.971 127.711 119.600 0.233 0.000 2.336 180 M HA 0.624 5.105 4.480 0.001 0.000 0.342 180 M C -1.287 175.174 176.300 0.268 0.000 1.128 180 M CA -0.587 54.864 55.300 0.253 0.000 1.016 180 M CB 1.665 34.372 32.600 0.178 0.000 1.665 180 M HN 0.400 nan 8.290 nan 0.000 0.445 181 V N 2.511 122.624 119.914 0.331 0.000 2.540 181 V HA 0.667 4.787 4.120 0.001 0.000 0.302 181 V C -1.196 175.074 176.094 0.293 0.000 1.035 181 V CA -0.642 61.862 62.300 0.339 0.000 0.873 181 V CB 1.679 33.770 31.823 0.447 0.000 0.992 181 V HN 0.971 nan 8.190 nan 0.000 0.428 182 N N 3.278 122.131 118.700 0.256 0.000 2.371 182 N HA 0.554 5.295 4.740 0.001 0.000 0.291 182 N C -1.911 173.692 175.510 0.154 0.000 1.053 182 N CA -0.290 52.842 53.050 0.136 0.000 0.870 182 N CB 2.761 41.379 38.487 0.219 0.000 1.503 182 N HN 0.961 nan 8.380 nan 0.000 0.485 183 Y N 2.177 122.563 120.300 0.142 0.000 2.534 183 Y HA 0.771 5.321 4.550 0.001 0.000 0.345 183 Y C -1.268 174.709 175.900 0.128 0.000 1.031 183 Y CA -1.130 57.032 58.100 0.103 0.000 1.022 183 Y CB 1.332 39.881 38.460 0.149 0.000 1.292 183 Y HN 0.384 nan 8.280 nan 0.000 0.459 184 I N 4.053 124.827 120.570 0.340 0.000 2.787 184 I HA 0.673 4.844 4.170 0.001 0.000 0.294 184 I C -2.143 174.253 176.117 0.466 0.000 1.365 184 I CA -1.084 60.377 61.300 0.268 0.000 1.029 184 I CB 1.961 40.059 38.000 0.164 0.000 1.313 184 I HN 0.746 nan 8.210 nan 0.000 0.431 185 F N 6.104 126.255 119.950 0.334 0.000 2.601 185 F HA 0.827 5.355 4.527 0.001 0.000 0.309 185 F C -1.746 174.228 175.800 0.291 0.000 1.089 185 F CA -1.023 57.142 58.000 0.276 0.000 0.940 185 F CB 1.528 40.622 39.000 0.156 0.000 1.273 185 F HN 0.400 nan 8.300 nan 0.000 0.450 186 F N 2.122 122.148 119.950 0.126 0.000 2.619 186 F HA 0.773 5.300 4.527 0.001 0.000 0.308 186 F C -1.865 173.868 175.800 -0.111 0.000 1.097 186 F CA -1.364 56.600 58.000 -0.059 0.000 0.953 186 F CB 2.366 41.322 39.000 -0.075 0.000 1.287 186 F HN 0.781 nan 8.300 nan 0.000 0.446 187 K N 4.122 123.997 120.400 -0.876 0.000 2.635 187 K HA 0.751 5.072 4.320 0.001 0.000 0.266 187 K C -2.168 173.906 176.600 -0.877 0.000 1.033 187 K CA -0.407 55.391 56.287 -0.815 0.000 0.919 187 K CB 1.404 33.718 32.500 -0.310 0.000 1.289 187 K HN 1.079 nan 8.250 nan 0.000 0.463 188 A N 3.462 125.689 122.820 -0.988 0.000 2.454 188 A HA 0.661 4.982 4.320 0.001 0.000 0.302 188 A C -1.133 176.318 177.584 -0.222 0.000 1.079 188 A CA -0.916 50.826 52.037 -0.491 0.000 0.731 188 A CB 1.212 20.003 19.000 -0.347 0.000 1.299 188 A HN 0.498 nan 8.150 nan 0.000 0.413 189 K N 0.759 121.130 120.400 -0.048 0.000 2.295 189 K HA 0.132 4.453 4.320 0.001 0.000 0.270 189 K C -0.647 176.045 176.600 0.153 0.000 1.011 189 K CA 0.186 56.479 56.287 0.009 0.000 0.953 189 K CB 0.460 33.001 32.500 0.068 0.000 0.956 189 K HN 0.713 nan 8.250 nan 0.000 0.477 190 W N 1.026 122.466 121.300 0.234 0.000 2.093 190 W HA 0.015 4.676 4.660 0.000 0.000 0.352 190 W C 1.926 178.503 176.519 0.097 0.000 1.294 190 W CA -0.240 57.193 57.345 0.146 0.000 1.290 190 W CB 0.313 29.823 29.460 0.083 0.000 1.149 190 W HN 0.708 nan 8.180 nan 0.000 0.606 191 E N -0.335 120.069 120.200 0.340 0.000 2.110 191 E HA -0.118 4.233 4.350 0.001 0.000 0.193 191 E C -0.086 176.583 176.600 0.114 0.000 0.988 191 E CA 1.024 57.528 56.400 0.173 0.000 0.804 191 E CB 0.155 29.922 29.700 0.111 0.000 0.745 191 E HN 0.274 nan 8.360 nan 0.000 0.458 192 T N 0.438 115.048 114.554 0.092 0.000 2.879 192 T HA 0.274 4.625 4.350 0.001 0.000 0.290 192 T C -0.725 173.971 174.700 -0.007 0.000 0.993 192 T CA -0.754 61.345 62.100 -0.002 0.000 0.975 192 T CB 1.888 70.680 68.868 -0.127 0.000 0.981 192 T HN -0.045 nan 8.240 nan 0.000 0.439 193 S N 2.066 117.801 115.700 0.059 0.000 2.580 193 S HA 0.433 4.903 4.470 0.001 0.000 0.266 193 S C 0.046 174.623 174.600 -0.038 0.000 1.354 193 S CA -0.511 57.771 58.200 0.136 0.000 1.008 193 S CB 0.154 63.455 63.200 0.167 0.000 0.898 193 S HN 0.466 nan 8.310 nan 0.000 0.555 194 F N 1.151 121.143 119.950 0.071 0.000 2.375 194 F HA 0.240 4.768 4.527 0.001 0.000 0.313 194 F C 1.222 177.036 175.800 0.022 0.000 1.176 194 F CA -0.752 57.247 58.000 -0.002 0.000 1.142 194 F CB 0.416 39.399 39.000 -0.028 0.000 1.275 194 F HN 0.377 nan 8.300 nan 0.000 0.544 195 N N 1.063 119.859 118.700 0.159 0.000 2.359 195 N HA -0.122 4.618 4.740 0.001 0.000 0.261 195 N C 0.923 176.517 175.510 0.139 0.000 1.267 195 N CA 0.466 53.585 53.050 0.115 0.000 0.864 195 N CB -0.054 38.477 38.487 0.073 0.000 1.063 195 N HN 0.619 nan 8.380 nan 0.000 0.474 196 H N 2.461 121.570 119.070 0.066 0.000 2.460 196 H HA -0.083 4.474 4.556 0.001 0.000 0.297 196 H C 0.400 175.761 175.328 0.055 0.000 1.103 196 H CA 1.818 57.903 56.048 0.062 0.000 1.292 196 H CB 0.448 30.237 29.762 0.045 0.000 1.376 196 H HN 0.498 nan 8.280 nan 0.000 0.531 197 K N -1.346 119.086 120.400 0.055 0.000 2.469 197 K HA 0.230 4.550 4.320 0.001 0.000 0.204 197 K C 1.275 177.892 176.600 0.028 0.000 1.047 197 K CA 0.371 56.666 56.287 0.013 0.000 1.072 197 K CB 1.227 33.772 32.500 0.075 0.000 0.863 197 K HN 0.221 nan 8.250 nan 0.000 0.530 198 G N 0.875 109.699 108.800 0.040 0.000 3.088 198 G HA2 -0.037 3.923 3.960 0.001 0.000 0.212 198 G HA3 -0.037 3.923 3.960 0.001 0.000 0.212 198 G C 0.144 175.071 174.900 0.045 0.000 1.173 198 G CA 0.136 45.266 45.100 0.049 0.000 0.779 198 G HN 0.048 nan 8.290 nan 0.000 0.540 199 T N 2.047 116.615 114.554 0.023 0.000 2.738 199 T HA 0.467 4.817 4.350 0.001 0.000 0.298 199 T C -0.426 174.292 174.700 0.031 0.000 0.962 199 T CA -0.290 61.820 62.100 0.018 0.000 0.972 199 T CB 1.423 70.283 68.868 -0.013 0.000 0.928 199 T HN 0.092 nan 8.240 nan 0.000 0.474 200 Q N 1.794 121.630 119.800 0.060 0.000 2.399 200 Q HA 0.463 4.803 4.340 0.001 0.000 0.276 200 Q C -0.499 175.533 176.000 0.052 0.000 1.098 200 Q CA -1.045 54.792 55.803 0.056 0.000 0.827 200 Q CB 2.017 30.799 28.738 0.075 0.000 1.386 200 Q HN 0.493 nan 8.270 nan 0.000 0.443 201 E N 1.338 121.560 120.200 0.036 0.000 2.316 201 E HA 0.154 4.504 4.350 0.001 0.000 0.275 201 E C -0.929 175.691 176.600 0.033 0.000 1.029 201 E CA 0.486 56.904 56.400 0.031 0.000 0.871 201 E CB 0.626 30.337 29.700 0.018 0.000 1.022 201 E HN 0.301 nan 8.360 nan 0.000 0.418 202 Q N 2.048 121.872 119.800 0.040 0.000 2.553 202 Q HA 0.330 4.671 4.340 0.001 0.000 0.293 202 Q C -1.176 174.834 176.000 0.016 0.000 1.038 202 Q CA -1.113 54.708 55.803 0.030 0.000 0.777 202 Q CB 1.462 30.226 28.738 0.043 0.000 1.487 202 Q HN 0.475 nan 8.270 nan 0.000 0.426 203 D N 0.784 121.163 120.400 -0.034 0.000 2.372 203 D HA 0.294 4.934 4.640 0.001 0.000 0.243 203 D C -1.238 174.972 176.300 -0.150 0.000 1.121 203 D CA 0.544 54.440 54.000 -0.173 0.000 0.898 203 D CB 0.544 41.147 40.800 -0.329 0.000 1.202 203 D HN 0.242 nan 8.370 nan 0.000 0.428 204 F N 2.167 121.899 119.950 -0.364 0.000 2.562 204 F HA 0.252 4.780 4.527 0.001 0.000 0.319 204 F C -1.367 174.249 175.800 -0.307 0.000 1.154 204 F CA -0.898 56.990 58.000 -0.186 0.000 0.931 204 F CB 0.858 39.835 39.000 -0.038 0.000 1.198 204 F HN 0.144 nan 8.300 nan 0.000 0.444 205 Y N 6.338 126.434 120.300 -0.340 0.000 2.650 205 Y HA 0.262 4.813 4.550 0.001 0.000 0.343 205 Y C 1.071 176.933 175.900 -0.064 0.000 1.078 205 Y CA -0.539 57.481 58.100 -0.135 0.000 1.356 205 Y CB 0.441 38.809 38.460 -0.153 0.000 1.204 205 Y HN 0.458 nan 8.280 nan 0.000 0.508 206 V N 1.175 121.243 119.914 0.257 0.000 2.332 206 V HA -0.200 3.921 4.120 0.001 0.000 0.248 206 V C 1.189 177.400 176.094 0.196 0.000 1.055 206 V CA 2.201 64.690 62.300 0.314 0.000 1.038 206 V CB -0.682 31.285 31.823 0.241 0.000 0.651 206 V HN 0.865 nan 8.190 nan 0.000 0.450 207 T N -4.349 110.302 114.554 0.160 0.000 2.681 207 T HA 0.305 4.655 4.350 0.001 0.000 0.296 207 T C 0.768 175.549 174.700 0.134 0.000 1.157 207 T CA 0.198 62.372 62.100 0.123 0.000 1.025 207 T CB 1.454 70.380 68.868 0.097 0.000 1.441 207 T HN 0.148 nan 8.240 nan 0.000 0.504 208 S N -0.631 115.122 115.700 0.089 0.000 2.561 208 S HA 0.033 4.503 4.470 0.001 0.000 0.225 208 S C 0.950 175.606 174.600 0.093 0.000 0.977 208 S CA 0.345 58.590 58.200 0.075 0.000 0.926 208 S CB -0.453 62.762 63.200 0.024 0.000 0.769 208 S HN 0.664 nan 8.310 nan 0.000 0.533 209 E N 0.802 121.055 120.200 0.088 0.000 2.413 209 E HA 0.147 4.497 4.350 0.001 0.000 0.203 209 E C -0.177 176.470 176.600 0.079 0.000 0.957 209 E CA 0.357 56.801 56.400 0.074 0.000 0.950 209 E CB 0.446 30.178 29.700 0.053 0.000 0.957 209 E HN 0.400 nan 8.360 nan 0.000 0.497 210 T N 2.004 116.613 114.554 0.091 0.000 2.779 210 T HA 0.471 4.822 4.350 0.001 0.000 0.280 210 T C -0.289 174.449 174.700 0.064 0.000 0.987 210 T CA -0.400 61.744 62.100 0.073 0.000 0.966 210 T CB 2.190 71.102 68.868 0.074 0.000 0.933 210 T HN -0.244 nan 8.240 nan 0.000 0.442 211 V N 4.191 124.110 119.914 0.008 0.000 2.531 211 V HA 0.704 4.824 4.120 0.001 0.000 0.301 211 V C -0.015 176.044 176.094 -0.059 0.000 1.034 211 V CA -0.913 61.327 62.300 -0.100 0.000 0.865 211 V CB 1.651 33.355 31.823 -0.199 0.000 0.995 211 V HN 0.827 nan 8.190 nan 0.000 0.424 212 V N 2.301 122.196 119.914 -0.031 0.000 3.046 212 V HA 0.774 4.894 4.120 0.001 0.000 0.316 212 V C -0.568 175.524 176.094 -0.004 0.000 1.104 212 V CA -1.103 61.196 62.300 -0.001 0.000 1.006 212 V CB 2.362 34.199 31.823 0.024 0.000 1.058 212 V HN 0.747 nan 8.190 nan 0.000 0.440 213 R N 1.734 122.231 120.500 -0.005 0.000 2.294 213 R HA 0.765 5.105 4.340 0.001 0.000 0.319 213 R C -0.600 175.708 176.300 0.012 0.000 0.984 213 R CA -0.288 55.813 56.100 0.002 0.000 0.861 213 R CB 1.423 31.720 30.300 -0.005 0.000 1.104 213 R HN 1.101 nan 8.270 nan 0.000 0.451 214 V N -0.213 119.722 119.914 0.036 0.000 2.962 214 V HA 0.669 4.789 4.120 0.001 0.000 0.313 214 V C -2.597 173.525 176.094 0.046 0.000 1.099 214 V CA -2.787 59.531 62.300 0.030 0.000 0.971 214 V CB 2.685 34.518 31.823 0.016 0.000 1.028 214 V HN 0.537 nan 8.190 nan 0.000 0.430 215 P HA 0.299 nan 4.420 nan 0.000 0.276 215 P C -0.897 176.428 177.300 0.042 0.000 1.264 215 P CA 0.019 63.138 63.100 0.032 0.000 0.769 215 P CB 1.068 32.778 31.700 0.017 0.000 0.840 216 M N 5.294 124.928 119.600 0.057 0.000 2.088 216 M HA 0.330 4.811 4.480 0.001 0.000 0.346 216 M C -0.149 176.168 176.300 0.030 0.000 1.111 216 M CA -0.474 54.871 55.300 0.075 0.000 1.017 216 M CB 0.665 33.358 32.600 0.155 0.000 1.568 216 M HN 0.248 nan 8.290 nan 0.000 0.445 217 M N 2.358 121.895 119.600 -0.105 0.000 2.197 217 M HA 0.613 5.094 4.480 0.001 0.000 0.305 217 M C -0.092 176.114 176.300 -0.156 0.000 1.162 217 M CA -0.406 54.763 55.300 -0.218 0.000 1.099 217 M CB 1.422 33.612 32.600 -0.683 0.000 1.430 217 M HN 0.807 nan 8.290 nan 0.000 0.481 218 S N 0.683 116.379 115.700 -0.007 0.000 2.552 218 S HA 0.804 5.275 4.470 0.001 0.000 0.272 218 S C -1.143 173.517 174.600 0.100 0.000 1.150 218 S CA -1.142 56.982 58.200 -0.126 0.000 0.849 218 S CB 2.593 65.490 63.200 -0.505 0.000 1.113 218 S HN 0.886 nan 8.310 nan 0.000 0.458 219 R N 0.623 121.099 120.500 -0.040 0.000 3.070 219 R HA 0.262 4.603 4.340 0.001 0.000 0.249 219 R C -2.021 174.271 176.300 -0.013 0.000 1.124 219 R CA -0.179 55.887 56.100 -0.056 0.000 1.111 219 R CB 1.361 31.541 30.300 -0.200 0.000 1.268 219 R HN 0.887 nan 8.270 nan 0.000 0.466 220 E N 3.238 123.417 120.200 -0.035 0.000 2.200 220 E HA 0.240 4.591 4.350 0.001 0.000 0.283 220 E C -1.221 175.333 176.600 -0.076 0.000 1.015 220 E CA -0.289 56.111 56.400 -0.001 0.000 0.819 220 E CB 1.115 30.805 29.700 -0.017 0.000 1.081 220 E HN 0.506 nan 8.360 nan 0.000 0.397 221 D N 1.929 122.264 120.400 -0.109 0.000 2.792 221 D HA 0.069 4.710 4.640 0.001 0.000 0.335 221 D C -1.434 174.604 176.300 -0.437 0.000 1.353 221 D CA -0.457 53.308 54.000 -0.391 0.000 0.839 221 D CB 1.180 41.539 40.800 -0.734 0.000 1.396 221 D HN 0.284 nan 8.370 nan 0.000 0.479 222 Q N 1.005 120.514 119.800 -0.485 0.000 2.322 222 Q HA 0.352 4.693 4.340 0.001 0.000 0.256 222 Q C -0.997 174.723 176.000 -0.467 0.000 0.960 222 Q CA -0.027 55.573 55.803 -0.339 0.000 0.934 222 Q CB 0.790 29.377 28.738 -0.252 0.000 1.200 222 Q HN 0.329 nan 8.270 nan 0.000 0.435 223 Y N -0.059 120.158 120.300 -0.138 0.000 2.499 223 Y HA 0.246 4.796 4.550 0.001 0.000 0.347 223 Y C -0.016 175.790 175.900 -0.157 0.000 0.987 223 Y CA -0.986 57.041 58.100 -0.122 0.000 1.044 223 Y CB 1.233 39.649 38.460 -0.072 0.000 1.245 223 Y HN 0.540 nan 8.280 nan 0.000 0.461 224 H N 1.390 120.412 119.070 -0.081 0.000 2.886 224 H HA 0.157 4.713 4.556 0.000 0.000 0.329 224 H C -1.084 174.052 175.328 -0.320 0.000 1.044 224 H CA 0.837 56.689 56.048 -0.326 0.000 1.456 224 H CB 0.223 29.526 29.762 -0.764 0.000 1.464 224 H HN 0.591 nan 8.280 nan 0.000 0.573 225 Y N 3.067 123.301 120.300 -0.110 0.000 2.638 225 Y HA 0.602 5.152 4.550 0.001 0.000 0.339 225 Y C -1.706 174.382 175.900 0.314 0.000 1.084 225 Y CA -1.345 56.796 58.100 0.069 0.000 1.068 225 Y CB 1.491 39.976 38.460 0.042 0.000 1.294 225 Y HN 0.640 nan 8.280 nan 0.000 0.480 226 L N 5.033 125.719 121.223 -0.895 0.000 2.781 226 L HA 0.413 4.753 4.340 0.001 0.000 0.256 226 L C -2.626 173.725 176.870 -0.865 0.000 0.930 226 L CA -0.767 53.724 54.840 -0.581 0.000 0.967 226 L CB 1.648 43.579 42.059 -0.213 0.000 1.551 226 L HN 0.769 nan 8.230 nan 0.000 0.445 227 L N 4.155 125.105 121.223 -0.454 0.000 2.333 227 L HA 0.554 4.894 4.340 0.001 0.000 0.280 227 L C -1.429 175.346 176.870 -0.158 0.000 1.004 227 L CA 0.013 54.696 54.840 -0.262 0.000 0.820 227 L CB 1.715 43.749 42.059 -0.043 0.000 1.247 227 L HN 0.783 nan 8.230 nan 0.000 0.416 228 D N 5.107 125.426 120.400 -0.135 0.000 2.427 228 D HA 0.258 4.899 4.640 0.001 0.000 0.226 228 D C 0.813 177.123 176.300 0.016 0.000 1.076 228 D CA -0.353 53.635 54.000 -0.020 0.000 0.849 228 D CB 1.158 42.001 40.800 0.072 0.000 1.052 228 D HN 0.582 nan 8.370 nan 0.000 0.515 229 R N 2.660 123.172 120.500 0.020 0.000 2.193 229 R HA -0.018 4.322 4.340 0.001 0.000 0.213 229 R C 1.487 177.806 176.300 0.032 0.000 1.055 229 R CA 0.197 56.310 56.100 0.022 0.000 0.995 229 R CB 0.218 30.528 30.300 0.017 0.000 0.893 229 R HN 0.454 nan 8.270 nan 0.000 0.459 230 N N 1.091 119.817 118.700 0.043 0.000 2.051 230 N HA -0.082 4.659 4.740 0.001 0.000 0.192 230 N C 1.859 177.399 175.510 0.050 0.000 1.049 230 N CA 1.208 54.282 53.050 0.039 0.000 0.845 230 N CB -0.059 38.449 38.487 0.034 0.000 1.031 230 N HN 0.149 nan 8.380 nan 0.000 0.425 231 L N 0.175 121.448 121.223 0.083 0.000 2.313 231 L HA 0.051 4.391 4.340 0.001 0.000 0.214 231 L C 0.675 177.597 176.870 0.086 0.000 1.119 231 L CA 0.153 55.052 54.840 0.098 0.000 0.809 231 L CB -0.121 42.041 42.059 0.172 0.000 0.933 231 L HN 0.088 nan 8.230 nan 0.000 0.449 232 S N -0.195 115.545 115.700 0.067 0.000 3.926 232 S HA -0.140 4.331 4.470 0.001 0.000 0.478 232 S C -0.334 174.287 174.600 0.034 0.000 0.830 232 S CA 0.067 58.290 58.200 0.040 0.000 1.318 232 S CB -1.568 61.653 63.200 0.035 0.000 0.848 232 S HN 0.594 nan 8.310 nan 0.000 0.628 233 C N 2.289 121.592 119.300 0.005 0.000 3.285 233 C HA 0.824 5.285 4.460 0.001 0.000 0.325 233 C C -0.495 174.421 174.990 -0.125 0.000 1.304 233 C CA -1.214 57.788 59.018 -0.027 0.000 1.319 233 C CB 1.591 29.342 27.740 0.019 0.000 1.640 233 C HN 0.781 nan 8.230 nan 0.000 0.477 234 R N 1.213 121.645 120.500 -0.113 0.000 2.407 234 R HA 0.781 5.121 4.340 0.001 0.000 0.303 234 R C -1.205 174.998 176.300 -0.161 0.000 0.981 234 R CA -0.511 55.495 56.100 -0.157 0.000 0.905 234 R CB 1.969 32.272 30.300 0.005 0.000 1.099 234 R HN 0.670 nan 8.270 nan 0.000 0.459 235 V N 3.424 123.154 119.914 -0.307 0.000 2.487 235 V HA 0.397 4.517 4.120 0.001 0.000 0.298 235 V C -0.568 175.583 176.094 0.095 0.000 1.028 235 V CA -0.803 61.387 62.300 -0.183 0.000 0.860 235 V CB 1.928 33.378 31.823 -0.622 0.000 0.991 235 V HN 0.484 nan 8.190 nan 0.000 0.427 236 V N 3.723 123.781 119.914 0.241 0.000 2.735 236 V HA 0.932 5.052 4.120 0.001 0.000 0.310 236 V C 0.281 176.439 176.094 0.107 0.000 1.061 236 V CA 0.006 62.417 62.300 0.185 0.000 0.913 236 V CB 2.124 34.078 31.823 0.219 0.000 1.005 236 V HN 0.992 nan 8.190 nan 0.000 0.428 237 G N 4.669 113.410 108.800 -0.099 0.000 2.368 237 G HA2 0.585 4.546 3.960 0.001 0.000 0.320 237 G HA3 0.585 4.546 3.960 0.001 0.000 0.320 237 G C -1.261 173.683 174.900 0.074 0.000 1.158 237 G CA -0.386 44.676 45.100 -0.063 0.000 0.912 237 G HN 0.822 nan 8.290 nan 0.000 0.456 238 V N 5.391 125.368 119.914 0.104 0.000 2.350 238 V HA 0.359 4.479 4.120 0.001 0.000 0.285 238 V C -1.934 174.210 176.094 0.085 0.000 1.014 238 V CA -1.665 60.661 62.300 0.044 0.000 0.831 238 V CB 1.884 33.585 31.823 -0.204 0.000 1.000 238 V HN 0.688 nan 8.190 nan 0.000 0.433 239 P HA 0.160 nan 4.420 nan 0.000 0.271 239 P C -1.157 176.306 177.300 0.272 0.000 1.216 239 P CA -0.011 63.188 63.100 0.165 0.000 0.771 239 P CB 0.718 32.486 31.700 0.113 0.000 0.864 240 Y N 0.625 121.132 120.300 0.346 0.000 2.354 240 Y HA 0.238 4.788 4.550 0.001 0.000 0.322 240 Y C 1.309 177.274 175.900 0.108 0.000 1.253 240 Y CA -0.233 58.042 58.100 0.292 0.000 1.272 240 Y CB 0.734 39.329 38.460 0.226 0.000 1.255 240 Y HN 0.291 nan 8.280 nan 0.000 0.500 241 Q N 1.587 121.559 119.800 0.286 0.000 2.263 241 Q HA 0.428 4.768 4.340 0.001 0.000 0.270 241 Q C 0.220 176.210 176.000 -0.018 0.000 1.104 241 Q CA 0.978 56.857 55.803 0.126 0.000 0.909 241 Q CB -0.288 28.523 28.738 0.121 0.000 1.214 241 Q HN 0.851 nan 8.270 nan 0.000 0.400 242 G N 3.668 112.435 108.800 -0.054 0.000 2.250 242 G HA2 -0.213 3.748 3.960 0.001 0.000 0.189 242 G HA3 -0.213 3.748 3.960 0.001 0.000 0.189 242 G C 0.057 174.871 174.900 -0.142 0.000 1.298 242 G CA -0.084 44.908 45.100 -0.180 0.000 1.246 242 G HN 0.524 nan 8.290 nan 0.000 0.513 243 N N 0.919 119.478 118.700 -0.234 0.000 2.322 243 N HA 0.403 5.144 4.740 0.001 0.000 0.181 243 N C 1.127 176.616 175.510 -0.035 0.000 1.088 243 N CA 1.181 54.175 53.050 -0.093 0.000 0.885 243 N CB 0.309 38.764 38.487 -0.053 0.000 1.013 243 N HN 1.025 nan 8.380 nan 0.000 0.472 244 A N -0.146 122.609 122.820 -0.108 0.000 2.332 244 A HA 0.488 4.809 4.320 0.001 0.000 0.258 244 A C 0.162 177.954 177.584 0.346 0.000 1.087 244 A CA 0.015 52.147 52.037 0.159 0.000 0.802 244 A CB 0.487 19.644 19.000 0.262 0.000 1.042 244 A HN 0.150 nan 8.150 nan 0.000 0.489 245 T N -0.566 114.233 114.554 0.410 0.000 2.952 245 T HA 0.594 4.944 4.350 0.001 0.000 0.305 245 T C -0.588 174.346 174.700 0.391 0.000 1.064 245 T CA 0.176 62.490 62.100 0.358 0.000 1.008 245 T CB 1.019 70.001 68.868 0.189 0.000 1.078 245 T HN 1.608 nan 8.240 nan 0.000 0.459 246 A N 4.682 127.693 122.820 0.319 0.000 2.309 246 A HA 0.800 5.121 4.320 0.001 0.000 0.298 246 A C -0.581 176.995 177.584 -0.014 0.000 1.165 246 A CA -0.607 51.556 52.037 0.210 0.000 0.821 246 A CB 0.316 19.504 19.000 0.314 0.000 1.102 246 A HN 0.850 nan 8.150 nan 0.000 0.500 247 L N 2.171 123.317 121.223 -0.128 0.000 2.325 247 L HA 0.514 4.855 4.340 0.001 0.000 0.281 247 L C -1.393 175.310 176.870 -0.278 0.000 1.004 247 L CA -0.158 54.640 54.840 -0.070 0.000 0.823 247 L CB 1.434 43.523 42.059 0.051 0.000 1.236 247 L HN 0.681 nan 8.230 nan 0.000 0.415 248 F N 3.811 123.850 119.950 0.148 0.000 2.444 248 F HA 0.512 5.039 4.527 0.001 0.000 0.342 248 F C -0.131 175.846 175.800 0.295 0.000 1.121 248 F CA -0.660 57.412 58.000 0.120 0.000 0.997 248 F CB 1.758 40.451 39.000 -0.512 0.000 1.130 248 F HN 0.173 nan 8.300 nan 0.000 0.454 249 I N 4.589 125.509 120.570 0.583 0.000 2.362 249 I HA 0.306 4.476 4.170 0.001 0.000 0.289 249 I C -0.927 175.540 176.117 0.583 0.000 0.994 249 I CA -0.546 61.006 61.300 0.419 0.000 1.158 249 I CB 1.572 39.726 38.000 0.255 0.000 1.315 249 I HN 0.362 nan 8.210 nan 0.000 0.451 250 L N 9.850 131.281 121.223 0.346 0.000 2.301 250 L HA 0.674 5.014 4.340 0.001 0.000 0.278 250 L C -2.502 174.411 176.870 0.071 0.000 1.022 250 L CA -1.744 53.183 54.840 0.145 0.000 0.854 250 L CB 0.758 42.596 42.059 -0.368 0.000 1.226 250 L HN 0.304 nan 8.230 nan 0.000 0.429 251 P HA 0.188 nan 4.420 nan 0.000 0.269 251 P C -0.574 176.747 177.300 0.035 0.000 1.215 251 P CA -0.067 63.089 63.100 0.093 0.000 0.780 251 P CB 0.659 32.439 31.700 0.133 0.000 0.898 252 S N 1.175 116.888 115.700 0.022 0.000 2.593 252 S HA 0.038 4.509 4.470 0.001 0.000 0.269 252 S C 0.287 174.887 174.600 -0.000 0.000 1.334 252 S CA -0.476 57.722 58.200 -0.004 0.000 1.015 252 S CB -0.039 63.160 63.200 -0.001 0.000 0.912 252 S HN 0.412 nan 8.310 nan 0.000 0.541 253 E N 0.828 121.014 120.200 -0.024 0.000 2.765 253 E HA 0.000 4.351 4.350 0.001 0.000 0.256 253 E C 1.293 177.892 176.600 -0.001 0.000 0.935 253 E CA 1.183 57.567 56.400 -0.026 0.000 0.954 253 E CB 0.032 29.702 29.700 -0.050 0.000 0.908 253 E HN 1.014 nan 8.360 nan 0.000 0.500 254 G N 4.564 113.372 108.800 0.014 0.000 2.168 254 G HA2 -0.294 3.666 3.960 0.001 0.000 0.263 254 G HA3 -0.294 3.666 3.960 0.001 0.000 0.263 254 G C 0.638 175.563 174.900 0.042 0.000 0.977 254 G CA 0.556 45.672 45.100 0.028 0.000 0.659 254 G HN 0.432 nan 8.290 nan 0.000 0.533 255 K N -0.603 119.827 120.400 0.050 0.000 2.498 255 K HA 0.405 4.726 4.320 0.001 0.000 0.207 255 K C 1.779 178.434 176.600 0.093 0.000 1.033 255 K CA 0.105 56.430 56.287 0.064 0.000 1.138 255 K CB 0.244 32.777 32.500 0.055 0.000 0.860 255 K HN 0.446 nan 8.250 nan 0.000 0.490 256 M N 1.061 120.725 119.600 0.106 0.000 2.077 256 M HA -0.152 4.329 4.480 0.001 0.000 0.261 256 M C 2.117 178.504 176.300 0.145 0.000 1.070 256 M CA 1.937 57.323 55.300 0.143 0.000 1.125 256 M CB -0.234 32.459 32.600 0.155 0.000 1.339 256 M HN 0.065 nan 8.290 nan 0.000 0.409 257 Q N 0.252 120.125 119.800 0.122 0.000 2.112 257 Q HA -0.268 4.072 4.340 0.001 0.000 0.206 257 Q C 2.163 178.228 176.000 0.108 0.000 0.987 257 Q CA 2.588 58.461 55.803 0.116 0.000 0.858 257 Q CB -0.572 28.219 28.738 0.088 0.000 0.905 257 Q HN 0.781 nan 8.270 nan 0.000 0.420 258 Q N -1.097 118.758 119.800 0.092 0.000 2.084 258 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 258 Q C 1.840 177.895 176.000 0.092 0.000 0.978 258 Q CA 1.791 57.642 55.803 0.079 0.000 0.844 258 Q CB 0.070 28.848 28.738 0.066 0.000 0.898 258 Q HN 0.355 nan 8.270 nan 0.000 0.426 259 V N 0.954 120.940 119.914 0.120 0.000 2.453 259 V HA -0.209 3.912 4.120 0.001 0.000 0.247 259 V C 1.942 178.118 176.094 0.136 0.000 1.048 259 V CA 1.982 64.370 62.300 0.147 0.000 1.049 259 V CB -0.529 31.412 31.823 0.195 0.000 0.672 259 V HN 0.389 nan 8.190 nan 0.000 0.457 260 E N 0.593 120.887 120.200 0.156 0.000 2.058 260 E HA -0.235 4.116 4.350 0.001 0.000 0.194 260 E C 1.994 178.683 176.600 0.148 0.000 0.997 260 E CA 1.666 58.175 56.400 0.183 0.000 0.801 260 E CB -0.309 29.564 29.700 0.288 0.000 0.746 260 E HN 0.699 nan 8.360 nan 0.000 0.450 261 N N -0.185 118.586 118.700 0.117 0.000 2.364 261 N HA -0.097 4.644 4.740 0.001 0.000 0.183 261 N C 1.751 177.282 175.510 0.035 0.000 1.022 261 N CA 0.527 53.626 53.050 0.081 0.000 0.883 261 N CB 0.012 38.538 38.487 0.066 0.000 0.965 261 N HN 0.116 nan 8.380 nan 0.000 0.438 262 G N 0.618 109.428 108.800 0.016 0.000 2.744 262 G HA2 0.108 4.068 3.960 0.001 0.000 0.211 262 G HA3 0.108 4.068 3.960 0.001 0.000 0.211 262 G C 0.539 175.336 174.900 -0.173 0.000 1.146 262 G CA -0.290 44.778 45.100 -0.054 0.000 0.787 262 G HN 0.066 nan 8.290 nan 0.000 0.534 263 L N 2.104 123.233 121.223 -0.157 0.000 2.525 263 L HA 0.363 4.703 4.340 0.001 0.000 0.278 263 L C 0.549 177.022 176.870 -0.661 0.000 1.218 263 L CA 0.156 54.757 54.840 -0.398 0.000 0.878 263 L CB 0.613 42.608 42.059 -0.107 0.000 1.127 263 L HN 0.310 nan 8.230 nan 0.000 0.492 264 S N 0.135 115.059 115.700 -1.293 0.000 2.633 264 S HA 0.164 4.634 4.470 0.001 0.000 0.271 264 S C 0.096 174.067 174.600 -1.048 0.000 1.112 264 S CA -0.970 56.608 58.200 -1.036 0.000 0.828 264 S CB 1.091 64.053 63.200 -0.397 0.000 1.086 264 S HN 0.647 nan 8.310 nan 0.000 0.461 265 E N 0.571 120.578 120.200 -0.321 0.000 2.204 265 E HA -0.111 4.239 4.350 0.001 0.000 0.195 265 E C 1.236 177.734 176.600 -0.171 0.000 0.990 265 E CA 0.808 57.187 56.400 -0.035 0.000 0.821 265 E CB -0.090 29.710 29.700 0.167 0.000 0.750 265 E HN 0.401 nan 8.360 nan 0.000 0.477 266 K N 0.406 120.679 120.400 -0.211 0.000 2.002 266 K HA -0.074 4.246 4.320 0.001 0.000 0.209 266 K C 2.294 178.702 176.600 -0.320 0.000 1.048 266 K CA 1.256 57.422 56.287 -0.202 0.000 0.930 266 K CB -0.903 31.496 32.500 -0.168 0.000 0.714 266 K HN 0.080 nan 8.250 nan 0.000 0.438 267 T N 2.712 116.975 114.554 -0.486 0.000 2.684 267 T HA -0.168 4.182 4.350 0.001 0.000 0.267 267 T C 1.853 175.971 174.700 -0.971 0.000 1.036 267 T CA 1.353 62.995 62.100 -0.764 0.000 1.148 267 T CB -0.327 67.970 68.868 -0.952 0.000 0.863 267 T HN 0.069 nan 8.240 nan 0.000 0.436 268 L N 1.104 121.875 121.223 -0.755 0.000 2.017 268 L HA 0.018 4.358 4.340 0.001 0.000 0.208 268 L C 2.479 179.212 176.870 -0.229 0.000 1.073 268 L CA 1.739 56.297 54.840 -0.471 0.000 0.745 268 L CB -0.578 41.401 42.059 -0.133 0.000 0.894 268 L HN 0.054 nan 8.230 nan 0.000 0.432 269 R N -0.461 119.935 120.500 -0.174 0.000 2.091 269 R HA -0.225 4.116 4.340 0.001 0.000 0.238 269 R C 2.419 178.660 176.300 -0.099 0.000 1.136 269 R CA 1.955 58.001 56.100 -0.090 0.000 0.959 269 R CB -0.296 29.964 30.300 -0.067 0.000 0.856 269 R HN 0.399 nan 8.270 nan 0.000 0.437 270 K N -0.191 120.114 120.400 -0.158 0.000 2.009 270 K HA -0.197 4.123 4.320 0.001 0.000 0.210 270 K C 1.791 178.362 176.600 -0.048 0.000 1.049 270 K CA 1.611 57.832 56.287 -0.109 0.000 0.929 270 K CB -0.146 32.265 32.500 -0.148 0.000 0.714 270 K HN 0.153 nan 8.250 nan 0.000 0.440 271 W N 1.390 122.509 121.300 -0.301 0.000 2.321 271 W HA -0.175 4.485 4.660 0.000 0.000 0.306 271 W C 1.897 178.004 176.519 -0.686 0.000 1.217 271 W CA 0.873 57.904 57.345 -0.524 0.000 1.257 271 W CB -0.904 28.199 29.460 -0.596 0.000 1.145 271 W HN 0.153 nan 8.180 nan 0.000 0.509 272 L N 0.214 121.330 121.223 -0.179 0.000 2.141 272 L HA -0.191 4.150 4.340 0.001 0.000 0.209 272 L C 2.690 179.568 176.870 0.013 0.000 1.094 272 L CA 1.861 56.646 54.840 -0.091 0.000 0.763 272 L CB -1.303 40.769 42.059 0.022 0.000 0.908 272 L HN 0.006 nan 8.230 nan 0.000 0.437 273 K N -0.401 119.997 120.400 -0.004 0.000 2.076 273 K HA -0.066 4.254 4.320 0.001 0.000 0.204 273 K C 1.771 178.409 176.600 0.064 0.000 1.051 273 K CA 1.124 57.435 56.287 0.040 0.000 0.949 273 K CB -0.501 32.009 32.500 0.018 0.000 0.726 273 K HN 0.116 nan 8.250 nan 0.000 0.443 274 M N -0.174 119.439 119.600 0.021 0.000 2.394 274 M HA 0.266 4.747 4.480 0.001 0.000 0.264 274 M C 0.464 176.846 176.300 0.137 0.000 1.073 274 M CA -0.491 54.836 55.300 0.046 0.000 1.111 274 M CB -1.050 31.553 32.600 0.006 0.000 1.401 274 M HN 0.286 nan 8.290 nan 0.000 0.448 275 F N 1.941 121.942 119.950 0.085 0.000 2.635 275 F HA -0.102 4.425 4.527 0.001 0.000 0.379 275 F C 0.610 176.504 175.800 0.157 0.000 1.094 275 F CA 0.288 58.363 58.000 0.126 0.000 1.300 275 F CB 0.282 39.404 39.000 0.202 0.000 1.035 275 F HN -0.037 nan 8.300 nan 0.000 0.581 276 K N 3.930 124.542 120.400 0.355 0.000 2.482 276 K HA 0.260 4.580 4.320 0.001 0.000 0.251 276 K C -0.810 175.818 176.600 0.047 0.000 0.936 276 K CA -0.937 55.448 56.287 0.164 0.000 0.791 276 K CB 1.467 34.057 32.500 0.150 0.000 1.213 276 K HN 0.211 nan 8.250 nan 0.000 0.428 277 K N 2.164 122.494 120.400 -0.117 0.000 2.440 277 K HA 0.159 4.480 4.320 0.001 0.000 0.270 277 K C -0.197 176.370 176.600 -0.054 0.000 0.980 277 K CA 0.157 56.329 56.287 -0.192 0.000 0.953 277 K CB 0.555 32.917 32.500 -0.230 0.000 0.925 277 K HN 0.625 nan 8.250 nan 0.000 0.497 278 R N 1.398 121.867 120.500 -0.050 0.000 2.633 278 R HA 0.025 4.365 4.340 0.001 0.000 0.255 278 R C -1.432 174.835 176.300 -0.055 0.000 1.106 278 R CA -0.644 55.429 56.100 -0.046 0.000 0.959 278 R CB 1.205 31.475 30.300 -0.050 0.000 1.259 278 R HN 0.467 nan 8.270 nan 0.000 0.453 279 Q N 2.990 122.746 119.800 -0.075 0.000 2.297 279 Q HA 0.385 4.725 4.340 0.001 0.000 0.267 279 Q C -1.455 174.522 176.000 -0.038 0.000 1.006 279 Q CA 0.238 56.002 55.803 -0.064 0.000 0.896 279 Q CB 0.813 29.505 28.738 -0.076 0.000 1.186 279 Q HN 0.406 nan 8.270 nan 0.000 0.392 280 L N 3.002 124.258 121.223 0.054 0.000 2.424 280 L HA 0.434 4.774 4.340 0.001 0.000 0.258 280 L C -0.901 176.025 176.870 0.093 0.000 0.995 280 L CA -0.298 54.577 54.840 0.058 0.000 0.821 280 L CB 2.484 44.592 42.059 0.082 0.000 1.383 280 L HN 0.707 nan 8.230 nan 0.000 0.410 281 E N 2.297 122.521 120.200 0.040 0.000 2.028 281 E HA 0.350 4.701 4.350 0.001 0.000 0.266 281 E C -1.171 175.445 176.600 0.027 0.000 0.962 281 E CA -0.649 55.781 56.400 0.050 0.000 0.784 281 E CB 1.467 31.250 29.700 0.139 0.000 1.114 281 E HN 0.241 nan 8.360 nan 0.000 0.414 282 L N 3.842 125.013 121.223 -0.087 0.000 2.275 282 L HA 0.316 4.656 4.340 0.001 0.000 0.288 282 L C -1.534 175.205 176.870 -0.219 0.000 1.046 282 L CA -0.383 54.379 54.840 -0.130 0.000 0.805 282 L CB 0.262 42.094 42.059 -0.380 0.000 1.193 282 L HN 0.329 nan 8.230 nan 0.000 0.426 283 Y N 5.909 126.219 120.300 0.015 0.000 2.328 283 Y HA 0.608 5.158 4.550 0.001 0.000 0.333 283 Y C -0.656 175.230 175.900 -0.024 0.000 0.958 283 Y CA -0.550 57.554 58.100 0.006 0.000 1.167 283 Y CB 1.778 40.242 38.460 0.006 0.000 1.151 283 Y HN 0.520 nan 8.280 nan 0.000 0.470 284 L N 7.232 128.396 121.223 -0.099 0.000 2.409 284 L HA 0.718 5.058 4.340 0.001 0.000 0.272 284 L C -2.890 173.851 176.870 -0.215 0.000 0.980 284 L CA -2.545 52.115 54.840 -0.300 0.000 0.826 284 L CB 1.963 43.642 42.059 -0.634 0.000 1.268 284 L HN 0.251 nan 8.230 nan 0.000 0.407 285 P HA 0.114 nan 4.420 nan 0.000 0.269 285 P C -1.533 175.873 177.300 0.177 0.000 1.215 285 P CA -0.252 62.910 63.100 0.103 0.000 0.780 285 P CB 0.429 32.237 31.700 0.179 0.000 0.898 286 K N 3.372 123.843 120.400 0.119 0.000 2.183 286 K HA 0.526 4.846 4.320 0.001 0.000 0.274 286 K C -0.975 175.747 176.600 0.203 0.000 1.009 286 K CA -0.377 55.944 56.287 0.056 0.000 0.888 286 K CB 0.131 32.623 32.500 -0.013 0.000 1.078 286 K HN 0.517 nan 8.250 nan 0.000 0.459 287 F N -1.022 118.928 119.950 0.000 0.000 2.807 287 F HA 0.446 4.973 4.527 0.001 0.000 0.316 287 F C -1.590 174.195 175.800 -0.026 0.000 1.162 287 F CA -1.002 56.987 58.000 -0.017 0.000 0.910 287 F CB 1.148 40.139 39.000 -0.015 0.000 1.314 287 F HN 0.208 nan 8.300 nan 0.000 0.454 288 S N 1.887 117.646 115.700 0.098 0.000 2.513 288 S HA 0.822 5.292 4.470 0.001 0.000 0.299 288 S C -1.287 173.363 174.600 0.085 0.000 1.087 288 S CA -0.676 57.508 58.200 -0.026 0.000 1.012 288 S CB 1.671 64.845 63.200 -0.042 0.000 1.044 288 S HN 0.802 nan 8.310 nan 0.000 0.485 289 I N 2.241 122.770 120.570 -0.069 0.000 2.894 289 I HA 0.590 4.761 4.170 0.001 0.000 0.302 289 I C -1.739 174.244 176.117 -0.222 0.000 1.188 289 I CA -0.571 60.651 61.300 -0.130 0.000 1.014 289 I CB 2.017 39.902 38.000 -0.190 0.000 1.242 289 I HN 0.896 nan 8.210 nan 0.000 0.430 290 E N 4.319 124.503 120.200 -0.027 0.000 2.407 290 E HA 0.714 5.064 4.350 0.001 0.000 0.279 290 E C -1.473 175.279 176.600 0.254 0.000 1.012 290 E CA -1.124 55.373 56.400 0.161 0.000 0.800 290 E CB 2.070 31.821 29.700 0.085 0.000 1.276 290 E HN 0.729 nan 8.360 nan 0.000 0.452 291 G N 0.361 109.359 108.800 0.329 0.000 2.701 291 G HA2 0.533 4.494 3.960 0.001 0.000 0.300 291 G HA3 0.533 4.494 3.960 0.001 0.000 0.300 291 G C -1.313 173.461 174.900 -0.209 0.000 1.410 291 G CA -0.691 44.479 45.100 0.117 0.000 1.014 291 G HN 0.308 nan 8.290 nan 0.000 0.509 292 S N 0.442 115.730 115.700 -0.688 0.000 2.605 292 S HA 0.699 5.169 4.470 0.001 0.000 0.308 292 S C -1.412 172.710 174.600 -0.797 0.000 1.113 292 S CA -0.371 57.541 58.200 -0.481 0.000 1.049 292 S CB 0.797 63.861 63.200 -0.227 0.000 1.001 292 S HN 0.487 nan 8.310 nan 0.000 0.480 293 Y N 0.776 121.130 120.300 0.090 0.000 2.512 293 Y HA 0.434 4.985 4.550 0.001 0.000 0.348 293 Y C 0.074 175.985 175.900 0.018 0.000 0.990 293 Y CA -1.150 56.972 58.100 0.036 0.000 1.033 293 Y CB 1.177 39.638 38.460 0.001 0.000 1.259 293 Y HN 0.348 nan 8.280 nan 0.000 0.461 294 Q N 3.366 123.232 119.800 0.110 0.000 2.571 294 Q HA 0.264 4.605 4.340 0.001 0.000 0.222 294 Q C 0.733 176.709 176.000 -0.039 0.000 1.167 294 Q CA 0.020 55.835 55.803 0.019 0.000 0.966 294 Q CB 0.781 29.503 28.738 -0.026 0.000 1.274 294 Q HN 0.884 nan 8.270 nan 0.000 0.552 295 L N 1.101 122.303 121.223 -0.034 0.000 2.353 295 L HA -0.208 4.132 4.340 0.001 0.000 0.220 295 L C 2.262 178.901 176.870 -0.386 0.000 1.133 295 L CA 0.972 55.729 54.840 -0.138 0.000 0.798 295 L CB -0.271 41.761 42.059 -0.046 0.000 0.922 295 L HN 0.517 nan 8.230 nan 0.000 0.445 296 E N 1.260 121.153 120.200 -0.512 0.000 2.268 296 E HA -0.224 4.127 4.350 0.001 0.000 0.195 296 E C 1.329 177.559 176.600 -0.617 0.000 0.995 296 E CA 1.078 56.862 56.400 -1.026 0.000 0.836 296 E CB -0.136 29.176 29.700 -0.647 0.000 0.763 296 E HN 0.502 nan 8.360 nan 0.000 0.491 297 K N 0.528 120.728 120.400 -0.334 0.000 2.444 297 K HA 0.120 4.440 4.320 0.001 0.000 0.193 297 K C 1.612 178.105 176.600 -0.178 0.000 1.024 297 K CA 0.383 56.545 56.287 -0.207 0.000 1.077 297 K CB 0.966 33.389 32.500 -0.128 0.000 0.833 297 K HN 0.032 nan 8.250 nan 0.000 0.517 298 V N -0.228 119.558 119.914 -0.213 0.000 3.102 298 V HA 0.021 4.141 4.120 0.001 0.000 0.225 298 V C 1.509 177.516 176.094 -0.144 0.000 1.301 298 V CA 0.187 62.383 62.300 -0.173 0.000 1.308 298 V CB 0.036 31.734 31.823 -0.208 0.000 1.129 298 V HN 0.134 nan 8.190 nan 0.000 0.502 299 L N 1.022 122.155 121.223 -0.149 0.000 2.103 299 L HA -0.160 4.181 4.340 0.001 0.000 0.215 299 L C -0.314 176.595 176.870 0.066 0.000 1.080 299 L CA 2.339 57.178 54.840 -0.001 0.000 0.764 299 L CB -1.868 40.264 42.059 0.121 0.000 0.890 299 L HN 0.378 nan 8.230 nan 0.000 0.435 300 P HA -0.171 nan 4.420 nan 0.000 0.216 300 P C 1.759 179.088 177.300 0.048 0.000 1.150 300 P CA 1.777 64.926 63.100 0.081 0.000 0.837 300 P CB -0.056 31.666 31.700 0.037 0.000 0.786 301 S N -1.321 114.382 115.700 0.004 0.000 2.547 301 S HA -0.026 4.444 4.470 0.001 0.000 0.235 301 S C 1.406 176.015 174.600 0.014 0.000 0.980 301 S CA 0.736 58.937 58.200 0.001 0.000 0.941 301 S CB -1.224 61.959 63.200 -0.028 0.000 0.763 301 S HN 0.109 nan 8.310 nan 0.000 0.532 302 L N 0.489 121.732 121.223 0.034 0.000 2.769 302 L HA 0.428 4.768 4.340 0.001 0.000 0.240 302 L C 1.640 178.563 176.870 0.088 0.000 1.163 302 L CA 0.251 55.127 54.840 0.059 0.000 0.962 302 L CB -0.149 41.954 42.059 0.073 0.000 1.258 302 L HN 0.556 nan 8.230 nan 0.000 0.513 303 G N 0.965 109.812 108.800 0.078 0.000 2.176 303 G HA2 -0.240 3.720 3.960 0.001 0.000 0.232 303 G HA3 -0.240 3.720 3.960 0.001 0.000 0.232 303 G C 0.172 175.121 174.900 0.082 0.000 0.986 303 G CA -0.409 44.735 45.100 0.073 0.000 0.643 303 G HN 0.263 nan 8.290 nan 0.000 0.522 304 I N 2.708 123.351 120.570 0.121 0.000 2.442 304 I HA 0.368 4.538 4.170 0.001 0.000 0.279 304 I C 1.253 177.507 176.117 0.228 0.000 1.081 304 I CA 0.232 61.612 61.300 0.132 0.000 1.197 304 I CB 1.171 39.271 38.000 0.166 0.000 1.394 304 I HN 0.215 nan 8.210 nan 0.000 0.488 305 S N 1.738 117.527 115.700 0.148 0.000 2.741 305 S HA 0.058 4.529 4.470 0.001 0.000 0.245 305 S C 1.433 176.076 174.600 0.073 0.000 1.083 305 S CA -0.165 58.157 58.200 0.203 0.000 0.873 305 S CB -0.038 63.254 63.200 0.153 0.000 0.814 305 S HN 0.450 nan 8.310 nan 0.000 0.476 306 N N 2.645 121.342 118.700 -0.004 0.000 2.021 306 N HA -0.111 4.630 4.740 0.001 0.000 0.198 306 N C 1.719 177.074 175.510 -0.258 0.000 1.041 306 N CA 1.588 54.572 53.050 -0.110 0.000 0.862 306 N CB -1.198 37.272 38.487 -0.029 0.000 1.048 306 N HN 0.278 nan 8.380 nan 0.000 0.427 307 V N -0.012 119.701 119.914 -0.335 0.000 2.546 307 V HA -0.206 3.915 4.120 0.001 0.000 0.254 307 V C 0.836 176.604 176.094 -0.542 0.000 1.076 307 V CA 1.521 63.523 62.300 -0.496 0.000 1.087 307 V CB -0.519 30.892 31.823 -0.687 0.000 0.674 307 V HN 0.219 nan 8.190 nan 0.000 0.470 308 F N 0.489 120.369 119.950 -0.117 0.000 2.732 308 F HA 0.247 4.774 4.527 0.001 0.000 0.303 308 F C 1.154 176.868 175.800 -0.143 0.000 1.110 308 F CA 0.423 58.359 58.000 -0.107 0.000 1.355 308 F CB -0.581 38.376 39.000 -0.073 0.000 1.081 308 F HN 0.284 nan 8.300 nan 0.000 0.565 309 T N -3.993 110.479 114.554 -0.137 0.000 2.926 309 T HA 0.301 4.652 4.350 0.001 0.000 0.289 309 T C 1.233 175.770 174.700 -0.270 0.000 1.054 309 T CA -0.106 61.847 62.100 -0.245 0.000 1.015 309 T CB 1.578 70.120 68.868 -0.544 0.000 1.167 309 T HN -0.012 nan 8.240 nan 0.000 0.526 310 S N 0.228 115.834 115.700 -0.157 0.000 2.442 310 S HA -0.190 4.280 4.470 0.001 0.000 0.236 310 S C 1.432 176.010 174.600 -0.036 0.000 1.007 310 S CA 0.963 59.129 58.200 -0.057 0.000 0.965 310 S CB -1.044 62.170 63.200 0.023 0.000 0.773 310 S HN 0.966 nan 8.310 nan 0.000 0.504 311 H N 0.743 119.810 119.070 -0.006 0.000 2.567 311 H HA 0.656 5.212 4.556 0.001 0.000 0.294 311 H C 0.455 175.766 175.328 -0.028 0.000 1.050 311 H CA 0.003 56.043 56.048 -0.013 0.000 1.168 311 H CB -0.766 28.990 29.762 -0.009 0.000 1.422 311 H HN 0.455 nan 8.280 nan 0.000 0.562 312 A N 1.445 124.173 122.820 -0.153 0.000 2.388 312 A HA 0.076 4.396 4.320 0.001 0.000 0.257 312 A C -0.013 177.523 177.584 -0.081 0.000 1.095 312 A CA -0.379 51.572 52.037 -0.143 0.000 0.791 312 A CB 0.406 19.285 19.000 -0.202 0.000 1.029 312 A HN 0.386 nan 8.150 nan 0.000 0.489 313 D N 2.691 123.045 120.400 -0.076 0.000 2.500 313 D HA 0.320 4.961 4.640 0.001 0.000 0.219 313 D C -0.276 175.962 176.300 -0.104 0.000 1.137 313 D CA 0.023 53.983 54.000 -0.066 0.000 0.946 313 D CB -0.013 40.761 40.800 -0.045 0.000 1.022 313 D HN 0.399 nan 8.370 nan 0.000 0.518 314 L N 2.656 123.806 121.223 -0.120 0.000 3.094 314 L HA 0.079 4.419 4.340 0.001 0.000 0.254 314 L C 1.901 178.671 176.870 -0.167 0.000 1.298 314 L CA -0.200 54.535 54.840 -0.175 0.000 1.050 314 L CB 0.162 42.099 42.059 -0.203 0.000 1.420 314 L HN 0.243 nan 8.230 nan 0.000 0.548 315 S N -1.214 114.418 115.700 -0.114 0.000 2.465 315 S HA -0.136 4.335 4.470 0.001 0.000 0.241 315 S C 1.886 176.421 174.600 -0.109 0.000 1.000 315 S CA 1.076 59.223 58.200 -0.089 0.000 0.964 315 S CB -0.342 62.824 63.200 -0.057 0.000 0.763 315 S HN 0.524 nan 8.310 nan 0.000 0.512 316 G N 1.059 109.767 108.800 -0.153 0.000 2.572 316 G HA2 0.155 4.115 3.960 0.001 0.000 0.216 316 G HA3 0.155 4.115 3.960 0.001 0.000 0.216 316 G C 1.236 175.982 174.900 -0.257 0.000 1.133 316 G CA 0.521 45.531 45.100 -0.150 0.000 0.791 316 G HN 0.606 nan 8.290 nan 0.000 0.538 317 I N -1.808 118.501 120.570 -0.435 0.000 3.172 317 I HA 0.358 4.529 4.170 0.001 0.000 0.278 317 I C 0.259 176.238 176.117 -0.230 0.000 1.174 317 I CA 0.418 61.369 61.300 -0.581 0.000 1.445 317 I CB 0.851 38.269 38.000 -0.970 0.000 1.175 317 I HN 0.085 nan 8.210 nan 0.000 0.447 318 S N 0.142 115.743 115.700 -0.165 0.000 2.537 318 S HA 0.240 4.710 4.470 0.001 0.000 0.271 318 S C -0.143 174.441 174.600 -0.026 0.000 1.148 318 S CA -0.389 57.774 58.200 -0.061 0.000 0.868 318 S CB 1.300 64.479 63.200 -0.035 0.000 1.115 318 S HN 0.479 nan 8.310 nan 0.000 0.461 319 N N 1.543 120.247 118.700 0.008 0.000 2.422 319 N HA 0.005 4.745 4.740 0.001 0.000 0.181 319 N C 0.465 175.991 175.510 0.027 0.000 1.080 319 N CA 0.128 53.181 53.050 0.004 0.000 0.893 319 N CB -0.283 38.201 38.487 -0.004 0.000 0.973 319 N HN 0.651 nan 8.380 nan 0.000 0.456 320 H N 1.636 120.685 119.070 -0.036 0.000 3.145 320 H HA -0.002 4.554 4.556 0.001 0.000 0.288 320 H C 0.805 176.116 175.328 -0.029 0.000 0.969 320 H CA 0.631 56.664 56.048 -0.025 0.000 1.444 320 H CB 0.777 30.528 29.762 -0.019 0.000 1.500 320 H HN 0.383 nan 8.280 nan 0.000 0.552 321 S N 2.720 118.368 115.700 -0.088 0.000 2.465 321 S HA -0.210 4.261 4.470 0.001 0.000 0.241 321 S C 1.449 176.100 174.600 0.086 0.000 1.000 321 S CA 1.292 59.483 58.200 -0.015 0.000 0.964 321 S CB 0.064 63.214 63.200 -0.083 0.000 0.763 321 S HN 0.706 nan 8.310 nan 0.000 0.512 322 N N 0.462 119.335 118.700 0.288 0.000 2.205 322 N HA 0.247 4.988 4.740 0.001 0.000 0.201 322 N C 0.147 175.724 175.510 0.112 0.000 1.128 322 N CA -0.436 52.738 53.050 0.206 0.000 0.867 322 N CB -0.167 38.479 38.487 0.265 0.000 0.996 322 N HN 0.569 nan 8.380 nan 0.000 0.503 323 I N 1.847 122.483 120.570 0.109 0.000 2.845 323 I HA -0.082 4.088 4.170 0.001 0.000 0.296 323 I C -0.520 175.561 176.117 -0.059 0.000 1.216 323 I CA 0.618 61.898 61.300 -0.032 0.000 1.438 323 I CB 0.128 38.096 38.000 -0.053 0.000 1.342 323 I HN 0.390 nan 8.210 nan 0.000 0.577 324 Q N 5.217 124.969 119.800 -0.080 0.000 2.594 324 Q HA 0.293 4.633 4.340 0.001 0.000 0.278 324 Q C -2.057 173.900 176.000 -0.071 0.000 0.961 324 Q CA -1.027 54.719 55.803 -0.094 0.000 0.844 324 Q CB 1.467 30.158 28.738 -0.078 0.000 1.475 324 Q HN 0.354 nan 8.270 nan 0.000 0.389 325 V N 3.175 123.048 119.914 -0.068 0.000 2.405 325 V HA 0.076 4.196 4.120 0.001 0.000 0.264 325 V C 0.798 176.965 176.094 0.121 0.000 1.048 325 V CA 0.512 62.826 62.300 0.023 0.000 0.966 325 V CB 0.780 32.614 31.823 0.017 0.000 1.015 325 V HN 0.924 nan 8.190 nan 0.000 0.477 326 S N 3.788 119.502 115.700 0.024 0.000 2.395 326 S HA 0.058 4.528 4.470 0.001 0.000 0.225 326 S C 0.524 175.126 174.600 0.004 0.000 1.027 326 S CA 0.663 58.853 58.200 -0.017 0.000 0.965 326 S CB 0.118 63.234 63.200 -0.140 0.000 0.812 326 S HN 0.846 nan 8.310 nan 0.000 0.482 327 E N -0.436 119.778 120.200 0.023 0.000 2.366 327 E HA 0.468 4.818 4.350 0.001 0.000 0.278 327 E C -1.433 175.227 176.600 0.099 0.000 0.923 327 E CA -0.210 56.204 56.400 0.023 0.000 0.761 327 E CB 2.227 31.915 29.700 -0.021 0.000 1.231 327 E HN 0.062 nan 8.360 nan 0.000 0.443 328 M N 3.337 122.996 119.600 0.097 0.000 2.035 328 M HA 0.331 4.811 4.480 0.001 0.000 0.286 328 M C -1.927 174.450 176.300 0.128 0.000 0.907 328 M CA -0.678 54.716 55.300 0.156 0.000 0.935 328 M CB 1.170 33.911 32.600 0.236 0.000 1.557 328 M HN 0.245 nan 8.290 nan 0.000 0.426 329 V N 3.895 123.901 119.914 0.154 0.000 2.439 329 V HA 0.390 4.510 4.120 0.001 0.000 0.282 329 V C -0.727 175.509 176.094 0.237 0.000 1.039 329 V CA -0.526 61.870 62.300 0.160 0.000 0.913 329 V CB 1.343 33.238 31.823 0.120 0.000 0.983 329 V HN 0.789 nan 8.190 nan 0.000 0.460 330 H N 3.987 123.153 119.070 0.160 0.000 2.529 330 H HA 0.701 5.258 4.556 0.001 0.000 0.348 330 H C -0.663 174.801 175.328 0.227 0.000 1.079 330 H CA -0.745 55.427 56.048 0.207 0.000 1.198 330 H CB 1.535 31.430 29.762 0.222 0.000 1.521 330 H HN 0.644 nan 8.280 nan 0.000 0.514 331 K N 3.852 124.023 120.400 -0.381 0.000 2.507 331 K HA 0.766 5.087 4.320 0.001 0.000 0.251 331 K C -2.024 174.479 176.600 -0.161 0.000 0.943 331 K CA -0.641 55.542 56.287 -0.172 0.000 0.794 331 K CB 1.416 33.932 32.500 0.027 0.000 1.188 331 K HN 0.644 nan 8.250 nan 0.000 0.428 332 A N 3.119 125.987 122.820 0.080 0.000 2.371 332 A HA 0.766 5.087 4.320 0.001 0.000 0.311 332 A C -1.405 176.513 177.584 0.558 0.000 1.068 332 A CA -0.694 51.573 52.037 0.382 0.000 0.744 332 A CB 1.629 20.914 19.000 0.476 0.000 1.239 332 A HN 0.409 nan 8.150 nan 0.000 0.435 333 V N 1.792 122.021 119.914 0.526 0.000 2.709 333 V HA 0.734 4.854 4.120 0.001 0.000 0.308 333 V C -0.656 175.564 176.094 0.210 0.000 1.062 333 V CA -0.548 61.942 62.300 0.317 0.000 0.901 333 V CB 1.766 33.706 31.823 0.194 0.000 1.003 333 V HN 0.789 nan 8.190 nan 0.000 0.425 334 V N 3.274 123.144 119.914 -0.073 0.000 2.932 334 V HA 0.546 4.666 4.120 0.001 0.000 0.307 334 V C -0.982 174.994 176.094 -0.196 0.000 1.147 334 V CA -0.585 61.629 62.300 -0.143 0.000 0.951 334 V CB 2.611 34.257 31.823 -0.295 0.000 1.031 334 V HN 1.005 nan 8.190 nan 0.000 0.426 335 E N 1.978 122.088 120.200 -0.151 0.000 2.248 335 E HA 0.717 5.068 4.350 0.001 0.000 0.267 335 E C -1.565 174.885 176.600 -0.250 0.000 0.877 335 E CA -0.565 55.708 56.400 -0.211 0.000 0.759 335 E CB 2.734 32.347 29.700 -0.145 0.000 1.182 335 E HN 0.382 nan 8.360 nan 0.000 0.418 336 V N 3.574 123.250 119.914 -0.396 0.000 2.444 336 V HA 0.365 4.486 4.120 0.001 0.000 0.294 336 V C -0.746 175.249 176.094 -0.165 0.000 1.022 336 V CA -0.548 61.578 62.300 -0.291 0.000 0.850 336 V CB 1.288 32.795 31.823 -0.526 0.000 0.992 336 V HN 0.794 nan 8.190 nan 0.000 0.426 337 D N 2.515 122.915 120.400 0.000 0.000 2.837 337 D HA 0.389 5.030 4.640 0.001 0.000 0.294 337 D C 0.500 176.945 176.300 0.242 0.000 1.158 337 D CA -0.667 53.359 54.000 0.043 0.000 1.073 337 D CB 0.979 41.780 40.800 0.003 0.000 1.419 337 D HN 0.177 nan 8.370 nan 0.000 0.584 338 E N -0.263 120.058 120.200 0.201 0.000 2.208 338 E HA 0.098 4.449 4.350 0.001 0.000 0.193 338 E C 0.124 177.029 176.600 0.508 0.000 0.988 338 E CA 0.511 57.147 56.400 0.393 0.000 0.828 338 E CB -0.239 29.607 29.700 0.242 0.000 0.763 338 E HN 0.328 nan 8.360 nan 0.000 0.478 339 S N 0.915 116.795 115.700 0.299 0.000 2.784 339 S HA 0.263 4.733 4.470 0.001 0.000 0.322 339 S C 0.356 175.129 174.600 0.288 0.000 1.234 339 S CA 0.463 58.797 58.200 0.223 0.000 1.064 339 S CB 0.270 63.524 63.200 0.091 0.000 0.787 339 S HN 0.367 nan 8.310 nan 0.000 0.506 340 G N 2.202 111.153 108.800 0.251 0.000 2.680 340 G HA2 0.500 4.460 3.960 0.001 0.000 0.290 340 G HA3 0.500 4.460 3.960 0.001 0.000 0.290 340 G C 0.563 175.552 174.900 0.148 0.000 1.355 340 G CA -0.639 44.612 45.100 0.251 0.000 0.903 340 G HN 0.475 nan 8.290 nan 0.000 0.474 341 T N -0.091 114.541 114.554 0.130 0.000 2.668 341 T HA -0.022 4.329 4.350 0.001 0.000 0.262 341 T C 1.345 176.084 174.700 0.065 0.000 1.045 341 T CA 1.311 63.462 62.100 0.086 0.000 1.152 341 T CB -0.206 68.709 68.868 0.079 0.000 0.864 341 T HN 0.689 nan 8.240 nan 0.000 0.419 342 R N 0.576 121.109 120.500 0.055 0.000 2.782 342 R HA 0.788 5.128 4.340 0.001 0.000 0.258 342 R C -0.621 175.698 176.300 0.031 0.000 1.055 342 R CA -0.949 55.170 56.100 0.032 0.000 1.065 342 R CB 1.108 31.416 30.300 0.013 0.000 1.172 342 R HN 0.142 nan 8.270 nan 0.000 0.510 343 A N 0.807 123.636 122.820 0.016 0.000 2.286 343 A HA 0.576 4.896 4.320 0.001 0.000 0.286 343 A C 0.045 177.621 177.584 -0.013 0.000 1.097 343 A CA -0.374 51.672 52.037 0.015 0.000 0.821 343 A CB 0.504 19.508 19.000 0.007 0.000 1.076 343 A HN 0.915 nan 8.150 nan 0.000 0.490 344 A N 0.496 123.307 122.820 -0.016 0.000 2.511 344 A HA 0.489 4.810 4.320 0.001 0.000 0.242 344 A C 0.716 178.272 177.584 -0.047 0.000 1.069 344 A CA 0.382 52.385 52.037 -0.056 0.000 0.763 344 A CB -0.341 18.629 19.000 -0.050 0.000 1.001 344 A HN 2.081 nan 8.150 nan 0.000 0.498 345 A N 2.791 125.570 122.820 -0.070 0.000 2.343 345 A HA 0.567 4.887 4.320 0.001 0.000 0.305 345 A C 0.863 178.420 177.584 -0.045 0.000 1.308 345 A CA 0.174 52.178 52.037 -0.055 0.000 0.949 345 A CB -0.651 18.308 19.000 -0.068 0.000 1.148 345 A HN 2.154 nan 8.150 nan 0.000 0.545 346 A N 3.671 126.477 122.820 -0.023 0.000 2.566 346 A HA 0.432 4.753 4.320 0.001 0.000 0.245 346 A C 1.060 178.639 177.584 -0.008 0.000 1.056 346 A CA 0.798 52.830 52.037 -0.009 0.000 0.757 346 A CB -0.535 18.467 19.000 0.004 0.000 0.979 346 A HN 1.437 nan 8.150 nan 0.000 0.508 347 T N 0.539 115.091 114.554 -0.003 0.000 2.889 347 T HA 0.531 4.881 4.350 0.001 0.000 0.291 347 T C 1.052 175.778 174.700 0.044 0.000 0.995 347 T CA 0.260 62.361 62.100 0.001 0.000 1.092 347 T CB 1.282 70.145 68.868 -0.009 0.000 0.954 347 T HN 2.371 nan 8.240 nan 0.000 0.506 348 G N 2.394 111.226 108.800 0.053 0.000 2.176 348 G HA2 -0.322 3.638 3.960 0.001 0.000 0.252 348 G HA3 -0.322 3.638 3.960 0.001 0.000 0.252 348 G C 0.793 175.772 174.900 0.133 0.000 1.024 348 G CA 0.641 45.826 45.100 0.142 0.000 0.755 348 G HN 1.468 nan 8.290 nan 0.000 0.507 349 T N -4.401 110.194 114.554 0.068 0.000 2.897 349 T HA 0.154 4.504 4.350 0.001 0.000 0.271 349 T C 2.297 177.033 174.700 0.059 0.000 1.084 349 T CA 2.311 64.439 62.100 0.047 0.000 1.123 349 T CB -0.154 68.727 68.868 0.022 0.000 0.865 349 T HN 1.606 nan 8.240 nan 0.000 0.496 350 I N -1.899 118.723 120.570 0.086 0.000 4.338 350 I HA 0.658 4.828 4.170 0.001 0.000 0.329 350 I C 0.425 176.666 176.117 0.206 0.000 1.378 350 I CA -1.102 60.257 61.300 0.098 0.000 1.170 350 I CB -0.651 37.383 38.000 0.057 0.000 1.206 350 I HN 0.280 nan 8.210 nan 0.000 0.432 351 F N 1.255 121.197 119.950 -0.014 0.000 2.132 351 F HA 0.118 4.646 4.527 0.001 0.000 0.500 351 F C 0.539 176.330 175.800 -0.015 0.000 1.266 351 F CA 1.061 59.053 58.000 -0.013 0.000 1.605 351 F CB -1.247 37.747 39.000 -0.010 0.000 2.568 351 F HN 1.171 nan 8.300 nan 0.000 0.724 361 Q N 1.601 121.355 119.800 -0.077 0.000 2.337 361 Q HA 0.294 4.634 4.340 0.001 0.000 0.270 361 Q C -0.201 175.757 176.000 -0.070 0.000 1.002 361 Q CA 0.083 55.828 55.803 -0.097 0.000 0.888 361 Q CB 0.619 29.249 28.738 -0.180 0.000 1.222 361 Q HN 0.552 nan 8.270 nan 0.000 0.400 362 R N 3.880 124.353 120.500 -0.045 0.000 2.393 362 R HA 0.453 4.794 4.340 0.001 0.000 0.310 362 R C -1.693 174.590 176.300 -0.029 0.000 0.968 362 R CA -0.659 55.446 56.100 0.009 0.000 0.867 362 R CB 0.787 31.109 30.300 0.037 0.000 1.124 362 R HN 0.534 nan 8.270 nan 0.000 0.450 363 L N 6.003 127.227 121.223 0.001 0.000 2.377 363 L HA 0.372 4.713 4.340 0.001 0.000 0.270 363 L C -1.539 175.322 176.870 -0.014 0.000 0.991 363 L CA -0.583 54.215 54.840 -0.070 0.000 0.851 363 L CB 1.789 43.804 42.059 -0.072 0.000 1.218 363 L HN 0.436 nan 8.230 nan 0.000 0.420 364 V N 5.376 125.231 119.914 -0.099 0.000 2.357 364 V HA 0.501 4.622 4.120 0.001 0.000 0.284 364 V C -0.675 175.311 176.094 -0.181 0.000 1.018 364 V CA -0.247 62.040 62.300 -0.021 0.000 0.841 364 V CB 1.059 32.834 31.823 -0.080 0.000 0.991 364 V HN 0.589 nan 8.190 nan 0.000 0.437 365 F N 7.516 127.394 119.950 -0.121 0.000 2.679 365 F HA 0.348 4.875 4.527 0.000 0.000 0.351 365 F C 1.164 176.911 175.800 -0.090 0.000 1.279 365 F CA -0.300 57.567 58.000 -0.222 0.000 1.227 365 F CB -0.037 38.597 39.000 -0.608 0.000 1.623 365 F HN 0.820 nan 8.300 nan 0.000 0.666 366 N N 1.413 120.060 118.700 -0.089 0.000 2.338 366 N HA 0.196 4.936 4.740 0.001 0.000 0.251 366 N C -0.242 174.771 175.510 -0.829 0.000 1.199 366 N CA -0.372 52.499 53.050 -0.298 0.000 0.879 366 N CB 0.349 38.807 38.487 -0.049 0.000 1.159 366 N HN 0.310 nan 8.380 nan 0.000 0.514 367 R N -0.523 119.578 120.500 -0.665 0.000 2.799 367 R HA 0.463 4.803 4.340 0.001 0.000 0.270 367 R C -3.026 173.343 176.300 0.115 0.000 1.010 367 R CA -1.986 53.855 56.100 -0.432 0.000 0.916 367 R CB 1.290 31.514 30.300 -0.127 0.000 1.228 367 R HN -0.029 nan 8.270 nan 0.000 0.469 368 P HA -0.092 nan 4.420 nan 0.000 0.260 368 P C -1.149 176.460 177.300 0.515 0.000 1.172 368 P CA 0.702 64.084 63.100 0.470 0.000 0.760 368 P CB 0.153 32.024 31.700 0.286 0.000 0.773 369 F N 2.138 122.314 119.950 0.376 0.000 2.620 369 F HA 0.716 5.243 4.527 0.001 0.000 0.320 369 F C -1.526 174.503 175.800 0.382 0.000 1.069 369 F CA -1.736 56.511 58.000 0.411 0.000 0.953 369 F CB 0.473 39.844 39.000 0.619 0.000 1.322 369 F HN -0.081 nan 8.300 nan 0.000 0.479 370 L N 2.811 124.342 121.223 0.514 0.000 2.360 370 L HA 0.628 4.969 4.340 0.001 0.000 0.271 370 L C -0.291 176.919 176.870 0.565 0.000 1.057 370 L CA -0.780 54.316 54.840 0.427 0.000 0.803 370 L CB 1.587 43.928 42.059 0.469 0.000 1.207 370 L HN 0.930 nan 8.230 nan 0.000 0.445 371 M N 1.997 121.882 119.600 0.475 0.000 2.457 371 M HA 0.613 5.093 4.480 0.001 0.000 0.300 371 M C -1.970 174.608 176.300 0.463 0.000 1.141 371 M CA -0.298 55.270 55.300 0.446 0.000 0.901 371 M CB 1.881 34.754 32.600 0.454 0.000 1.687 371 M HN 0.296 nan 8.290 nan 0.000 0.449 372 F N 4.082 124.069 119.950 0.063 0.000 2.576 372 F HA 0.661 5.188 4.527 0.001 0.000 0.313 372 F C -0.677 175.193 175.800 0.116 0.000 1.078 372 F CA -0.820 57.243 58.000 0.106 0.000 0.921 372 F CB 2.058 41.150 39.000 0.152 0.000 1.232 372 F HN 0.399 nan 8.300 nan 0.000 0.459 373 I N 3.436 124.201 120.570 0.325 0.000 2.468 373 I HA 0.465 4.636 4.170 0.001 0.000 0.284 373 I C -1.346 174.925 176.117 0.258 0.000 1.038 373 I CA -0.706 60.789 61.300 0.324 0.000 1.083 373 I CB 1.749 39.914 38.000 0.276 0.000 1.223 373 I HN 0.170 nan 8.210 nan 0.000 0.443 374 V N 4.472 124.558 119.914 0.286 0.000 2.604 374 V HA 0.483 4.603 4.120 0.001 0.000 0.305 374 V C -0.889 175.329 176.094 0.207 0.000 1.043 374 V CA -0.432 62.002 62.300 0.224 0.000 0.888 374 V CB 2.212 34.176 31.823 0.235 0.000 0.995 374 V HN 0.724 nan 8.190 nan 0.000 0.429 375 D N 3.402 123.898 120.400 0.160 0.000 2.584 375 D HA 0.329 4.969 4.640 0.001 0.000 0.238 375 D C 0.604 176.966 176.300 0.103 0.000 1.302 375 D CA -0.080 54.008 54.000 0.146 0.000 0.884 375 D CB 0.115 41.045 40.800 0.217 0.000 1.456 375 D HN 0.495 nan 8.370 nan 0.000 0.528 376 N N 0.990 119.742 118.700 0.086 0.000 1.922 376 N HA -0.204 4.537 4.740 0.001 0.000 0.219 376 N C -0.206 175.338 175.510 0.056 0.000 0.931 376 N CA 1.464 54.550 53.050 0.060 0.000 3.603 376 N CB -0.902 37.611 38.487 0.043 0.000 0.737 376 N HN 0.518 nan 8.380 nan 0.000 0.353 377 N N 0.810 119.542 118.700 0.054 0.000 2.471 377 N HA 0.470 5.211 4.740 0.001 0.000 0.288 377 N C -0.124 175.407 175.510 0.036 0.000 1.220 377 N CA -0.484 52.587 53.050 0.035 0.000 0.893 377 N CB 1.266 39.759 38.487 0.010 0.000 1.256 377 N HN 0.096 nan 8.380 nan 0.000 0.534 378 I N 2.610 123.180 120.570 0.001 0.000 2.269 378 I HA 0.013 4.184 4.170 0.001 0.000 0.293 378 I C 1.094 177.107 176.117 -0.174 0.000 1.106 378 I CA -0.316 60.963 61.300 -0.035 0.000 1.248 378 I CB 0.497 38.450 38.000 -0.078 0.000 1.444 378 I HN 0.293 nan 8.210 nan 0.000 0.497 379 L N 6.836 127.955 121.223 -0.173 0.000 2.056 379 L HA 0.050 4.390 4.340 0.001 0.000 0.207 379 L C 0.115 176.441 176.870 -0.906 0.000 1.078 379 L CA 1.779 56.351 54.840 -0.446 0.000 0.749 379 L CB -0.529 41.369 42.059 -0.269 0.000 0.901 379 L HN 0.332 nan 8.230 nan 0.000 0.433 380 F N -2.078 117.689 119.950 -0.305 0.000 2.613 380 F HA 0.592 5.120 4.527 0.001 0.000 0.310 380 F C -0.678 174.806 175.800 -0.526 0.000 1.085 380 F CA -1.119 56.592 58.000 -0.482 0.000 0.945 380 F CB 1.899 40.681 39.000 -0.364 0.000 1.298 380 F HN -0.401 nan 8.300 nan 0.000 0.455 381 L N 1.614 122.457 121.223 -0.633 0.000 2.505 381 L HA 0.956 5.296 4.340 0.001 0.000 0.266 381 L C -0.830 175.794 176.870 -0.410 0.000 0.954 381 L CA 0.010 54.444 54.840 -0.677 0.000 0.852 381 L CB 1.837 43.282 42.059 -1.024 0.000 1.282 381 L HN 0.727 nan 8.230 nan 0.000 0.403 382 G N 2.839 111.651 108.800 0.020 0.000 2.645 382 G HA2 0.488 4.449 3.960 0.001 0.000 0.292 382 G HA3 0.488 4.449 3.960 0.001 0.000 0.292 382 G C -2.127 172.981 174.900 0.346 0.000 1.415 382 G CA -0.758 44.562 45.100 0.366 0.000 0.785 382 G HN 0.582 nan 8.290 nan 0.000 0.483 383 K N 0.249 120.863 120.400 0.357 0.000 2.471 383 K HA 0.561 4.882 4.320 0.001 0.000 0.252 383 K C -1.330 175.280 176.600 0.015 0.000 0.938 383 K CA -0.566 55.851 56.287 0.217 0.000 0.796 383 K CB 2.294 35.003 32.500 0.349 0.000 1.161 383 K HN 0.245 nan 8.250 nan 0.000 0.425 384 V N 5.713 125.445 119.914 -0.303 0.000 2.288 384 V HA 0.083 4.204 4.120 0.001 0.000 0.266 384 V C 1.176 177.106 176.094 -0.274 0.000 1.048 384 V CA -0.551 61.433 62.300 -0.527 0.000 0.842 384 V CB 0.612 31.622 31.823 -1.355 0.000 1.064 384 V HN 0.825 nan 8.190 nan 0.000 0.472 385 N N 4.463 123.110 118.700 -0.088 0.000 2.290 385 N HA 0.041 4.782 4.740 0.001 0.000 0.179 385 N C 0.823 176.362 175.510 0.047 0.000 1.016 385 N CA 0.509 53.593 53.050 0.057 0.000 0.871 385 N CB 0.476 39.005 38.487 0.069 0.000 0.987 385 N HN 0.567 nan 8.380 nan 0.000 0.431 386 R N 0.888 121.314 120.500 -0.123 0.000 2.518 386 R HA 0.387 4.728 4.340 0.001 0.000 0.296 386 R C -2.738 173.360 176.300 -0.336 0.000 1.080 386 R CA -1.366 54.603 56.100 -0.218 0.000 0.922 386 R CB 1.972 32.224 30.300 -0.081 0.000 1.184 386 R HN -0.013 nan 8.270 nan 0.000 0.445 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 62.850 63.100 -0.417 0.000 0.800 387 P CB 0.000 31.398 31.700 -0.502 0.000 0.726