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 2iwz_1_B DATA FIRST_RESID -4 DATA SEQUENCE IEGRXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXSRLHRRVV DATA SEQUENCE ITGIGLVTPL GVGTHLVWDR LIGGESGIVS LVGEEYKSIP CSVAAYVPRG DATA SEQUENCE SDEGQFNEQN FVSKSDIKSM SSPTIMAIGA AELAMKDSGW HPQSEADQVA DATA SEQUENCE TGVAIGMGMI PLEVVSETAL NFQTKGYNKV SPFFVPKILV NMAAGQVSIR DATA SEQUENCE YKLKGPNHAV STACTTGAHA VGDSFRFIAH GDADVMVAGG TDSCISPLSL DATA SEQUENCE AGFSRARALS TNSDPKLACR PFHPKRDGFV MGEGAAVLVL EEYEHAVQRR DATA SEQUENCE ARIYAEVLGY GLSGDAGHIT APDPEGEGAL RCMAAALKDA GVQPEEISYI DATA SEQUENCE NAHATSTPLG DAAENKAIKH LFKDHAYALA VSSTKGATGH LLGAAGAVEA DATA SEQUENCE AFTTLACYYQ KLPPTLNLDC SEPEFDLNYV PLKAQEWKTE KRFIGLTNSF DATA SEQUENCE GFGGTNATLC IAGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -4 I HA 0.000 nan 4.170 nan 0.000 0.288 -4 I C 0.000 176.118 176.117 0.002 0.000 1.063 -4 I CA 0.000 61.301 61.300 0.002 0.000 1.566 -4 I CB 0.000 38.001 38.000 0.002 0.000 1.214 -3 E N 0.561 120.762 120.200 0.002 0.000 2.435 -3 E HA 0.530 4.882 4.350 0.003 0.000 0.272 -3 E C -0.933 175.669 176.600 0.003 0.000 1.031 -3 E CA -0.451 55.951 56.400 0.002 0.000 0.872 -3 E CB 2.060 31.760 29.700 0.001 0.000 1.588 -3 E HN 0.304 nan 8.360 nan 0.000 0.460 -2 G N 0.760 109.562 108.800 0.003 0.000 2.491 -2 G HA2 0.284 4.246 3.960 0.003 0.000 0.242 -2 G HA3 0.284 4.246 3.960 0.003 0.000 0.242 -2 G C -0.085 174.817 174.900 0.004 0.000 1.266 -2 G CA -0.062 45.041 45.100 0.005 0.000 0.844 -2 G HN 0.477 nan 8.290 nan 0.000 0.571 39 R N 0.362 120.861 120.500 -0.002 0.000 2.807 39 R HA 0.575 4.917 4.340 0.003 0.000 0.276 39 R C -1.094 175.207 176.300 0.001 0.000 0.979 39 R CA -1.091 54.998 56.100 -0.017 0.000 0.928 39 R CB 1.569 31.840 30.300 -0.048 0.000 1.191 39 R HN 0.647 nan 8.270 nan 0.000 0.471 40 L N 2.722 123.937 121.223 -0.013 0.000 2.499 40 L HA 0.048 4.390 4.340 0.003 0.000 0.273 40 L C -0.351 176.542 176.870 0.038 0.000 1.195 40 L CA 0.778 55.625 54.840 0.012 0.000 0.882 40 L CB -0.024 42.027 42.059 -0.013 0.000 1.133 40 L HN 0.470 nan 8.230 nan 0.000 0.483 41 H N 6.193 125.245 119.070 -0.030 0.000 2.638 41 H HA 0.356 4.914 4.556 0.004 0.000 0.303 41 H C -0.355 174.972 175.328 -0.000 0.000 1.034 41 H CA -0.787 55.245 56.048 -0.028 0.000 1.225 41 H CB 0.515 30.272 29.762 -0.009 0.000 1.394 41 H HN 0.716 nan 8.280 nan 0.000 0.477 42 R N 3.151 123.546 120.500 -0.175 0.000 2.707 42 R HA 0.260 4.602 4.340 0.003 0.000 0.270 42 R C 0.238 176.508 176.300 -0.049 0.000 1.083 42 R CA -0.476 55.578 56.100 -0.077 0.000 1.182 42 R CB 1.267 31.523 30.300 -0.073 0.000 1.084 42 R HN 0.523 nan 8.270 nan 0.000 0.528 43 R N 0.409 120.961 120.500 0.087 0.000 2.459 43 R HA 0.372 4.714 4.340 0.003 0.000 0.281 43 R C -0.760 175.617 176.300 0.127 0.000 1.050 43 R CA -0.511 55.692 56.100 0.171 0.000 1.055 43 R CB 1.273 31.759 30.300 0.310 0.000 1.045 43 R HN 0.240 nan 8.270 nan 0.000 0.495 44 V N 3.373 123.358 119.914 0.118 0.000 2.577 44 V HA 0.387 4.509 4.120 0.003 0.000 0.303 44 V C -0.247 175.803 176.094 -0.073 0.000 1.042 44 V CA -0.796 61.543 62.300 0.066 0.000 0.872 44 V CB 1.752 33.730 31.823 0.259 0.000 0.998 44 V HN 0.622 nan 8.190 nan 0.000 0.423 45 V N 2.527 122.351 119.914 -0.151 0.000 3.046 45 V HA 0.724 4.846 4.120 0.003 0.000 0.316 45 V C -0.577 175.433 176.094 -0.141 0.000 1.104 45 V CA -0.987 61.181 62.300 -0.220 0.000 1.006 45 V CB 2.309 33.903 31.823 -0.382 0.000 1.058 45 V HN 0.657 nan 8.190 nan 0.000 0.440 46 I N 2.348 122.848 120.570 -0.117 0.000 2.339 46 I HA 0.460 4.632 4.170 0.003 0.000 0.290 46 I C 1.017 177.125 176.117 -0.015 0.000 0.994 46 I CA 0.030 61.295 61.300 -0.057 0.000 1.191 46 I CB 2.086 40.059 38.000 -0.045 0.000 1.343 46 I HN 0.983 nan 8.210 nan 0.000 0.458 47 T N 0.592 115.124 114.554 -0.036 0.000 3.040 47 T HA 0.416 4.768 4.350 0.003 0.000 0.266 47 T C 0.446 175.131 174.700 -0.026 0.000 1.005 47 T CA -0.282 61.759 62.100 -0.100 0.000 0.906 47 T CB 0.540 69.336 68.868 -0.120 0.000 1.082 47 T HN 0.689 nan 8.240 nan 0.000 0.531 48 G N 0.609 109.473 108.800 0.106 0.000 2.703 48 G HA2 0.637 4.599 3.960 0.003 0.000 0.294 48 G HA3 0.637 4.599 3.960 0.003 0.000 0.294 48 G C -1.957 172.992 174.900 0.082 0.000 1.451 48 G CA -0.888 44.307 45.100 0.158 0.000 0.869 48 G HN 0.344 nan 8.290 nan 0.000 0.516 49 I N 0.471 121.068 120.570 0.044 0.000 2.569 49 I HA 0.628 4.800 4.170 0.003 0.000 0.290 49 I C 0.179 176.251 176.117 -0.075 0.000 1.088 49 I CA -0.866 60.371 61.300 -0.105 0.000 1.047 49 I CB 2.797 40.621 38.000 -0.294 0.000 1.237 49 I HN 0.707 nan 8.210 nan 0.000 0.421 50 G N 6.733 115.479 108.800 -0.089 0.000 2.609 50 G HA2 0.756 4.718 3.960 0.003 0.000 0.308 50 G HA3 0.756 4.718 3.960 0.003 0.000 0.308 50 G C -1.235 173.601 174.900 -0.107 0.000 1.369 50 G CA -0.398 44.660 45.100 -0.071 0.000 0.958 50 G HN 0.396 nan 8.290 nan 0.000 0.499 51 L N 2.360 123.533 121.223 -0.085 0.000 2.356 51 L HA 0.545 4.887 4.340 0.003 0.000 0.277 51 L C -0.693 176.122 176.870 -0.092 0.000 0.996 51 L CA -1.137 53.644 54.840 -0.099 0.000 0.822 51 L CB 2.463 44.488 42.059 -0.057 0.000 1.256 51 L HN 0.190 nan 8.230 nan 0.000 0.413 52 V N 2.161 121.978 119.914 -0.161 0.000 2.349 52 V HA 0.571 4.693 4.120 0.003 0.000 0.284 52 V C 0.035 176.015 176.094 -0.190 0.000 1.014 52 V CA -0.271 61.891 62.300 -0.230 0.000 0.826 52 V CB 1.653 33.194 31.823 -0.470 0.000 1.009 52 V HN 0.941 nan 8.190 nan 0.000 0.431 53 T N 2.392 116.887 114.554 -0.098 0.000 2.816 53 T HA 0.521 4.873 4.350 0.003 0.000 0.299 53 T C -2.639 172.056 174.700 -0.008 0.000 1.230 53 T CA -1.900 60.169 62.100 -0.053 0.000 1.007 53 T CB 2.440 71.311 68.868 0.005 0.000 1.289 53 T HN 0.196 nan 8.240 nan 0.000 0.508 54 P HA 0.157 nan 4.420 nan 0.000 0.228 54 P C 1.244 178.568 177.300 0.040 0.000 1.151 54 P CA 0.543 63.660 63.100 0.028 0.000 0.770 54 P CB -0.019 31.685 31.700 0.007 0.000 0.786 55 L N -2.608 118.642 121.223 0.046 0.000 2.558 55 L HA 0.258 4.600 4.340 0.003 0.000 0.225 55 L C 1.153 178.056 176.870 0.054 0.000 1.128 55 L CA 0.279 55.146 54.840 0.045 0.000 0.868 55 L CB -0.535 41.556 42.059 0.054 0.000 1.006 55 L HN 0.113 nan 8.230 nan 0.000 0.454 56 G N -0.810 108.026 108.800 0.061 0.000 2.343 56 G HA2 -0.002 3.960 3.960 0.003 0.000 0.465 56 G HA3 -0.002 3.960 3.960 0.003 0.000 0.465 56 G C -1.457 173.488 174.900 0.075 0.000 1.282 56 G CA -0.857 44.289 45.100 0.076 0.000 0.996 56 G HN -0.270 nan 8.290 nan 0.000 0.521 57 V N 0.713 120.691 119.914 0.107 0.000 2.459 57 V HA 0.884 5.006 4.120 0.003 0.000 0.295 57 V C 0.854 177.028 176.094 0.132 0.000 1.029 57 V CA 0.794 63.165 62.300 0.120 0.000 0.874 57 V CB 0.829 32.785 31.823 0.221 0.000 0.985 57 V HN 2.734 nan 8.190 nan 0.000 0.438 58 G N 3.032 111.899 108.800 0.111 0.000 3.444 58 G HA2 -0.101 3.861 3.960 0.003 0.000 0.685 58 G HA3 -0.101 3.861 3.960 0.003 0.000 0.685 58 G C 0.172 175.127 174.900 0.092 0.000 1.145 58 G CA -0.224 44.950 45.100 0.123 0.000 0.973 58 G HN 0.711 nan 8.290 nan 0.000 0.525 59 T N 2.041 116.611 114.554 0.028 0.000 2.665 59 T HA -0.165 4.187 4.350 0.003 0.000 0.268 59 T C 1.952 176.590 174.700 -0.103 0.000 1.035 59 T CA 2.067 64.106 62.100 -0.102 0.000 1.151 59 T CB -0.218 68.466 68.868 -0.306 0.000 0.862 59 T HN 0.702 nan 8.240 nan 0.000 0.438 60 H N 0.111 119.284 119.070 0.172 0.000 2.436 60 H HA 0.191 4.749 4.556 0.003 0.000 0.294 60 H C 2.372 177.828 175.328 0.214 0.000 1.048 60 H CA 0.708 56.889 56.048 0.220 0.000 1.353 60 H CB -0.409 29.472 29.762 0.199 0.000 1.414 60 H HN 0.261 nan 8.280 nan 0.000 0.536 61 L N 0.690 122.057 121.223 0.239 0.000 2.017 61 L HA -0.149 4.193 4.340 0.003 0.000 0.208 61 L C 2.284 179.234 176.870 0.133 0.000 1.073 61 L CA 0.915 55.852 54.840 0.162 0.000 0.745 61 L CB -0.337 41.803 42.059 0.134 0.000 0.894 61 L HN -0.061 nan 8.230 nan 0.000 0.432 62 V N -0.522 119.481 119.914 0.148 0.000 2.343 62 V HA -0.328 3.794 4.120 0.003 0.000 0.247 62 V C 2.144 178.317 176.094 0.133 0.000 1.051 62 V CA 2.309 64.694 62.300 0.141 0.000 1.036 62 V CB -0.929 31.009 31.823 0.193 0.000 0.654 62 V HN 0.745 nan 8.190 nan 0.000 0.451 63 W N 1.266 122.564 121.300 -0.003 0.000 2.335 63 W HA -0.224 4.439 4.660 0.004 0.000 0.311 63 W C 2.161 178.620 176.519 -0.100 0.000 1.213 63 W CA 2.110 59.414 57.345 -0.069 0.000 1.274 63 W CB -0.286 29.174 29.460 0.001 0.000 1.148 63 W HN 0.347 nan 8.180 nan 0.000 0.498 64 D N -0.082 120.319 120.400 0.002 0.000 2.116 64 D HA -0.199 4.442 4.640 0.003 0.000 0.193 64 D C 2.235 178.420 176.300 -0.192 0.000 0.998 64 D CA 1.789 55.715 54.000 -0.124 0.000 0.836 64 D CB -0.501 40.307 40.800 0.013 0.000 0.951 64 D HN 0.272 nan 8.370 nan 0.000 0.449 65 R N -0.202 120.224 120.500 -0.123 0.000 2.075 65 R HA -0.068 4.274 4.340 0.003 0.000 0.232 65 R C 2.309 178.481 176.300 -0.212 0.000 1.126 65 R CA 0.422 56.447 56.100 -0.125 0.000 0.963 65 R CB -0.433 29.833 30.300 -0.055 0.000 0.858 65 R HN 0.138 nan 8.270 nan 0.000 0.435 66 L N 1.116 122.156 121.223 -0.306 0.000 1.989 66 L HA -0.179 4.163 4.340 0.003 0.000 0.211 66 L C 2.025 178.589 176.870 -0.509 0.000 1.071 66 L CA 1.741 56.313 54.840 -0.446 0.000 0.749 66 L CB -0.357 41.283 42.059 -0.698 0.000 0.890 66 L HN 0.109 nan 8.230 nan 0.000 0.431 67 I N -0.019 120.137 120.570 -0.690 0.000 2.361 67 I HA -0.177 3.995 4.170 0.003 0.000 0.251 67 I C 2.344 178.245 176.117 -0.360 0.000 1.133 67 I CA 1.464 62.384 61.300 -0.633 0.000 1.413 67 I CB -2.075 35.438 38.000 -0.812 0.000 1.073 67 I HN 0.465 nan 8.210 nan 0.000 0.424 68 G N -0.204 108.424 108.800 -0.287 0.000 2.848 68 G HA2 0.144 4.106 3.960 0.003 0.000 0.208 68 G HA3 0.144 4.106 3.960 0.003 0.000 0.208 68 G C 1.336 176.146 174.900 -0.149 0.000 1.152 68 G CA 0.589 45.580 45.100 -0.182 0.000 0.789 68 G HN 0.581 nan 8.290 nan 0.000 0.531 69 G N -0.374 108.321 108.800 -0.174 0.000 2.132 69 G HA2 -0.226 3.736 3.960 0.003 0.000 0.228 69 G HA3 -0.226 3.736 3.960 0.003 0.000 0.228 69 G C 0.077 174.913 174.900 -0.107 0.000 1.000 69 G CA 0.184 45.205 45.100 -0.133 0.000 0.693 69 G HN 0.556 nan 8.290 nan 0.000 0.515 70 E N -0.043 120.089 120.200 -0.113 0.000 2.371 70 E HA 0.573 4.925 4.350 0.003 0.000 0.257 70 E C 0.117 176.673 176.600 -0.073 0.000 1.134 70 E CA 0.308 56.660 56.400 -0.080 0.000 0.919 70 E CB 1.410 31.069 29.700 -0.069 0.000 1.025 70 E HN 0.228 nan 8.360 nan 0.000 0.438 71 S N -0.750 114.920 115.700 -0.049 0.000 2.546 71 S HA 0.515 4.987 4.470 0.003 0.000 0.274 71 S C -0.012 174.576 174.600 -0.019 0.000 1.121 71 S CA -0.410 57.767 58.200 -0.039 0.000 0.887 71 S CB 1.596 64.769 63.200 -0.044 0.000 1.094 71 S HN 0.566 nan 8.310 nan 0.000 0.474 72 G N 2.644 111.438 108.800 -0.010 0.000 3.393 72 G HA2 0.290 4.252 3.960 0.003 0.000 0.255 72 G HA3 0.290 4.252 3.960 0.003 0.000 0.255 72 G C 0.094 174.998 174.900 0.006 0.000 1.097 72 G CA -0.224 44.882 45.100 0.009 0.000 0.780 72 G HN 0.661 nan 8.290 nan 0.000 0.540 73 I N 1.850 122.411 120.570 -0.014 0.000 2.496 73 I HA 0.315 4.487 4.170 0.003 0.000 0.285 73 I C 0.352 176.465 176.117 -0.006 0.000 1.080 73 I CA -0.420 60.866 61.300 -0.024 0.000 1.404 73 I CB 1.385 39.359 38.000 -0.043 0.000 1.403 73 I HN -0.037 nan 8.210 nan 0.000 0.539 74 V N 1.779 121.698 119.914 0.008 0.000 3.160 74 V HA 0.559 4.681 4.120 0.003 0.000 0.310 74 V C -0.112 175.989 176.094 0.012 0.000 1.181 74 V CA -0.790 61.528 62.300 0.029 0.000 1.047 74 V CB 1.720 33.593 31.823 0.083 0.000 1.068 74 V HN 0.623 nan 8.190 nan 0.000 0.441 75 S N 1.887 117.591 115.700 0.008 0.000 2.565 75 S HA 0.565 5.037 4.470 0.003 0.000 0.276 75 S C 0.023 174.622 174.600 -0.001 0.000 1.326 75 S CA -0.454 57.740 58.200 -0.010 0.000 1.045 75 S CB 0.447 63.642 63.200 -0.009 0.000 0.918 75 S HN 0.630 nan 8.310 nan 0.000 0.505 76 L N 2.742 123.929 121.223 -0.061 0.000 2.461 76 L HA 0.288 4.630 4.340 0.003 0.000 0.272 76 L C 0.022 176.874 176.870 -0.030 0.000 1.197 76 L CA -0.378 54.388 54.840 -0.123 0.000 0.836 76 L CB 0.162 41.986 42.059 -0.392 0.000 1.105 76 L HN 0.435 nan 8.230 nan 0.000 0.477 77 V N -0.651 119.276 119.914 0.022 0.000 2.656 77 V HA 1.037 5.159 4.120 0.003 0.000 0.307 77 V C -0.083 176.117 176.094 0.176 0.000 1.051 77 V CA -0.199 62.145 62.300 0.073 0.000 0.893 77 V CB 1.191 33.034 31.823 0.033 0.000 0.999 77 V HN 1.044 nan 8.190 nan 0.000 0.426 78 G N 2.606 111.500 108.800 0.157 0.000 2.627 78 G HA2 0.020 3.982 3.960 0.003 0.000 0.680 78 G HA3 0.020 3.982 3.960 0.003 0.000 0.680 78 G C -0.169 174.819 174.900 0.147 0.000 1.341 78 G CA -0.114 45.079 45.100 0.154 0.000 0.835 78 G HN 0.792 nan 8.290 nan 0.000 0.643 79 E N 0.683 120.927 120.200 0.073 0.000 2.209 79 E HA -0.160 4.192 4.350 0.003 0.000 0.196 79 E C 2.332 178.942 176.600 0.017 0.000 0.993 79 E CA 1.439 57.867 56.400 0.047 0.000 0.819 79 E CB 0.072 29.785 29.700 0.022 0.000 0.745 79 E HN 0.847 nan 8.360 nan 0.000 0.477 80 E N 0.234 120.410 120.200 -0.040 0.000 2.338 80 E HA -0.190 4.162 4.350 0.003 0.000 0.197 80 E C 0.927 177.359 176.600 -0.280 0.000 1.007 80 E CA 0.839 57.132 56.400 -0.178 0.000 0.849 80 E CB -0.401 29.138 29.700 -0.269 0.000 0.774 80 E HN 0.406 nan 8.360 nan 0.000 0.506 81 Y N 1.266 121.586 120.300 0.034 0.000 2.466 81 Y HA 0.253 4.804 4.550 0.003 0.000 0.272 81 Y C 0.680 176.596 175.900 0.026 0.000 1.169 81 Y CA -0.255 57.866 58.100 0.035 0.000 1.285 81 Y CB 0.253 38.739 38.460 0.043 0.000 1.078 81 Y HN -0.187 nan 8.280 nan 0.000 0.523 82 K N 0.840 121.308 120.400 0.113 0.000 2.448 82 K HA 0.068 4.390 4.320 0.003 0.000 0.278 82 K C 1.168 177.803 176.600 0.058 0.000 1.009 82 K CA 1.148 57.480 56.287 0.075 0.000 0.995 82 K CB 0.407 32.934 32.500 0.045 0.000 0.917 82 K HN 0.354 nan 8.250 nan 0.000 0.481 83 S N 0.800 116.533 115.700 0.055 0.000 1.935 83 S HA -0.167 4.305 4.470 0.003 0.000 0.248 83 S C 0.128 174.758 174.600 0.049 0.000 1.122 83 S CA 0.060 58.285 58.200 0.042 0.000 1.319 83 S CB -1.766 61.452 63.200 0.030 0.000 1.625 83 S HN 0.491 nan 8.310 nan 0.000 0.569 84 I N 3.183 123.798 120.570 0.074 0.000 2.416 84 I HA 0.323 4.495 4.170 0.003 0.000 0.288 84 I C -1.132 175.019 176.117 0.056 0.000 1.051 84 I CA -2.209 59.139 61.300 0.079 0.000 1.375 84 I CB 0.964 39.044 38.000 0.134 0.000 1.407 84 I HN 0.021 nan 8.210 nan 0.000 0.516 85 P HA -0.112 nan 4.420 nan 0.000 0.219 85 P C 0.157 177.458 177.300 0.002 0.000 1.146 85 P CA 0.669 63.779 63.100 0.017 0.000 0.808 85 P CB -0.099 31.607 31.700 0.010 0.000 0.779 86 C N -0.712 118.588 119.300 -0.001 0.000 2.388 86 C HA 0.663 5.125 4.460 0.003 0.000 0.362 86 C C 1.265 176.234 174.990 -0.034 0.000 1.266 86 C CA -0.102 58.895 59.018 -0.034 0.000 2.028 86 C CB 0.539 28.242 27.740 -0.062 0.000 2.440 86 C HN 0.261 nan 8.230 nan 0.000 0.547 87 S N 1.565 117.231 115.700 -0.056 0.000 2.952 87 S HA 0.443 4.915 4.470 0.003 0.000 0.251 87 S C -0.187 174.355 174.600 -0.096 0.000 1.021 87 S CA 0.200 58.360 58.200 -0.068 0.000 1.067 87 S CB -0.604 62.579 63.200 -0.029 0.000 1.002 87 S HN 1.942 nan 8.310 nan 0.000 0.574 88 V N -2.583 117.262 119.914 -0.116 0.000 3.078 88 V HA 1.066 5.188 4.120 0.003 0.000 0.311 88 V C -0.411 175.587 176.094 -0.161 0.000 1.138 88 V CA -0.457 61.776 62.300 -0.112 0.000 1.007 88 V CB 1.036 32.810 31.823 -0.083 0.000 1.045 88 V HN 0.740 nan 8.190 nan 0.000 0.432 89 A N 1.400 124.117 122.820 -0.171 0.000 2.536 89 A HA 1.048 5.370 4.320 0.003 0.000 0.293 89 A C -0.679 176.751 177.584 -0.256 0.000 1.119 89 A CA -0.438 51.432 52.037 -0.279 0.000 0.654 89 A CB 1.224 19.927 19.000 -0.496 0.000 1.291 89 A HN 2.610 nan 8.150 nan 0.000 0.439 90 A N 0.134 122.758 122.820 -0.326 0.000 2.340 90 A HA 0.711 5.033 4.320 0.003 0.000 0.297 90 A C -1.524 175.908 177.584 -0.253 0.000 1.195 90 A CA -0.234 51.687 52.037 -0.193 0.000 0.769 90 A CB 0.181 19.118 19.000 -0.105 0.000 1.163 90 A HN 0.788 nan 8.150 nan 0.000 0.472 91 Y N 1.172 121.461 120.300 -0.019 0.000 2.420 91 Y HA 0.428 4.980 4.550 0.003 0.000 0.334 91 Y C 0.605 176.505 175.900 0.001 0.000 1.094 91 Y CA -0.723 57.374 58.100 -0.006 0.000 1.126 91 Y CB 1.722 40.187 38.460 0.008 0.000 1.217 91 Y HN 0.398 nan 8.280 nan 0.000 0.462 92 V N 5.823 125.837 119.914 0.166 0.000 2.485 92 V HA 0.052 4.174 4.120 0.003 0.000 0.287 92 V C -1.936 174.252 176.094 0.156 0.000 1.022 92 V CA -1.442 60.919 62.300 0.102 0.000 1.067 92 V CB -0.018 31.808 31.823 0.005 0.000 0.967 92 V HN 0.537 nan 8.190 nan 0.000 0.479 93 P HA 0.265 nan 4.420 nan 0.000 0.271 93 P C -0.542 176.856 177.300 0.164 0.000 1.226 93 P CA -0.136 63.038 63.100 0.124 0.000 0.765 93 P CB 0.661 32.420 31.700 0.098 0.000 0.835 94 R N 1.731 122.311 120.500 0.134 0.000 2.589 94 R HA 0.797 5.139 4.340 0.003 0.000 0.293 94 R C 0.417 176.765 176.300 0.080 0.000 0.963 94 R CA -0.409 55.778 56.100 0.144 0.000 0.905 94 R CB 2.002 32.379 30.300 0.128 0.000 1.144 94 R HN 0.802 nan 8.270 nan 0.000 0.459 95 G N -0.253 108.584 108.800 0.060 0.000 2.362 95 G HA2 -0.093 3.869 3.960 0.003 0.000 0.288 95 G HA3 -0.093 3.869 3.960 0.003 0.000 0.288 95 G C -0.389 174.522 174.900 0.018 0.000 1.305 95 G CA -0.720 44.397 45.100 0.028 0.000 0.910 95 G HN 0.396 nan 8.290 nan 0.000 0.518 96 S N 0.129 115.834 115.700 0.008 0.000 2.540 96 S HA 0.240 4.712 4.470 0.003 0.000 0.218 96 S C 0.203 174.811 174.600 0.013 0.000 0.977 96 S CA 0.013 58.211 58.200 -0.003 0.000 0.918 96 S CB 0.099 63.290 63.200 -0.016 0.000 0.806 96 S HN 0.526 nan 8.310 nan 0.000 0.496 97 D N 2.632 123.049 120.400 0.028 0.000 2.372 97 D HA 0.070 4.712 4.640 0.003 0.000 0.243 97 D C 0.313 176.645 176.300 0.053 0.000 1.121 97 D CA -0.026 53.995 54.000 0.035 0.000 0.898 97 D CB 0.380 41.202 40.800 0.036 0.000 1.202 97 D HN 0.246 nan 8.370 nan 0.000 0.428 98 E N 0.071 120.302 120.200 0.052 0.000 2.558 98 E HA 0.104 4.456 4.350 0.003 0.000 0.255 98 E C 0.925 177.574 176.600 0.083 0.000 0.968 98 E CA 0.672 57.113 56.400 0.068 0.000 0.939 98 E CB 0.061 29.797 29.700 0.060 0.000 0.921 98 E HN 0.673 nan 8.360 nan 0.000 0.477 99 G N 3.440 112.306 108.800 0.109 0.000 2.213 99 G HA2 -0.281 3.681 3.960 0.003 0.000 0.236 99 G HA3 -0.281 3.681 3.960 0.003 0.000 0.236 99 G C 0.148 175.128 174.900 0.134 0.000 0.991 99 G CA 0.253 45.422 45.100 0.115 0.000 0.629 99 G HN 0.567 nan 8.290 nan 0.000 0.517 100 Q N -0.723 119.161 119.800 0.140 0.000 2.193 100 Q HA 0.671 5.013 4.340 0.003 0.000 0.246 100 Q C -0.939 175.222 176.000 0.268 0.000 0.959 100 Q CA -0.980 54.925 55.803 0.170 0.000 0.904 100 Q CB 1.572 30.380 28.738 0.117 0.000 1.238 100 Q HN 0.193 nan 8.270 nan 0.000 0.469 101 F N 2.470 122.482 119.950 0.105 0.000 2.391 101 F HA 0.272 4.801 4.527 0.003 0.000 0.359 101 F C -0.507 175.375 175.800 0.137 0.000 1.122 101 F CA -0.913 57.176 58.000 0.149 0.000 1.120 101 F CB 0.543 39.616 39.000 0.121 0.000 1.142 101 F HN 0.379 nan 8.300 nan 0.000 0.483 102 N N 5.179 123.716 118.700 -0.272 0.000 2.564 102 N HA 0.152 4.894 4.740 0.003 0.000 0.248 102 N C 0.633 175.826 175.510 -0.528 0.000 0.986 102 N CA -0.195 52.655 53.050 -0.333 0.000 0.921 102 N CB 0.635 39.019 38.487 -0.172 0.000 1.136 102 N HN 0.737 nan 8.380 nan 0.000 0.509 103 E N 1.398 121.237 120.200 -0.602 0.000 2.130 103 E HA -0.233 4.119 4.350 0.003 0.000 0.196 103 E C 0.788 177.298 176.600 -0.150 0.000 0.998 103 E CA 1.208 57.370 56.400 -0.397 0.000 0.806 103 E CB 0.224 29.813 29.700 -0.186 0.000 0.738 103 E HN 0.673 nan 8.360 nan 0.000 0.459 104 Q N 0.300 119.998 119.800 -0.170 0.000 2.364 104 Q HA -0.120 4.222 4.340 0.003 0.000 0.209 104 Q C 1.288 177.170 176.000 -0.197 0.000 0.977 104 Q CA 0.854 56.577 55.803 -0.133 0.000 0.885 104 Q CB -0.487 28.183 28.738 -0.114 0.000 0.941 104 Q HN 0.474 nan 8.270 nan 0.000 0.464 105 N N -0.575 117.913 118.700 -0.353 0.000 2.453 105 N HA -0.068 4.674 4.740 0.003 0.000 0.183 105 N C 0.610 175.686 175.510 -0.723 0.000 1.041 105 N CA 0.701 53.385 53.050 -0.610 0.000 0.900 105 N CB 0.067 38.016 38.487 -0.898 0.000 0.961 105 N HN 0.151 nan 8.380 nan 0.000 0.443 106 F N -0.616 119.317 119.950 -0.028 0.000 2.640 106 F HA 0.222 4.750 4.527 0.003 0.000 0.285 106 F C 0.517 176.330 175.800 0.023 0.000 1.031 106 F CA -0.417 57.609 58.000 0.042 0.000 1.240 106 F CB 0.289 39.351 39.000 0.104 0.000 1.011 106 F HN -0.229 nan 8.300 nan 0.000 0.656 107 V N -1.446 118.558 119.914 0.150 0.000 2.876 107 V HA 0.748 4.870 4.120 0.003 0.000 0.312 107 V C -0.026 176.071 176.094 0.005 0.000 1.085 107 V CA -1.169 61.172 62.300 0.068 0.000 0.945 107 V CB 1.251 33.117 31.823 0.072 0.000 1.017 107 V HN 0.148 nan 8.190 nan 0.000 0.428 108 S N 2.328 118.019 115.700 -0.016 0.000 2.624 108 S HA 0.359 4.831 4.470 0.003 0.000 0.263 108 S C 0.803 175.383 174.600 -0.034 0.000 1.287 108 S CA -0.057 58.124 58.200 -0.030 0.000 0.990 108 S CB 0.795 63.975 63.200 -0.033 0.000 0.950 108 S HN 0.854 nan 8.310 nan 0.000 0.561 109 K N 0.727 121.107 120.400 -0.034 0.000 2.103 109 K HA -0.091 4.231 4.320 0.003 0.000 0.207 109 K C 2.432 179.009 176.600 -0.038 0.000 1.048 109 K CA 1.692 57.960 56.287 -0.031 0.000 0.930 109 K CB -0.441 32.043 32.500 -0.026 0.000 0.716 109 K HN 0.653 nan 8.250 nan 0.000 0.444 110 S N 1.474 117.149 115.700 -0.043 0.000 2.368 110 S HA -0.128 4.344 4.470 0.003 0.000 0.224 110 S C 1.342 175.874 174.600 -0.114 0.000 1.029 110 S CA 1.393 59.557 58.200 -0.060 0.000 0.988 110 S CB -0.260 62.915 63.200 -0.042 0.000 0.838 110 S HN 0.265 nan 8.310 nan 0.000 0.462 111 D N 1.660 122.000 120.400 -0.100 0.000 2.178 111 D HA 0.020 4.662 4.640 0.003 0.000 0.201 111 D C 1.789 178.022 176.300 -0.113 0.000 0.980 111 D CA 0.570 54.495 54.000 -0.126 0.000 0.842 111 D CB -0.401 40.353 40.800 -0.077 0.000 0.948 111 D HN 0.339 nan 8.370 nan 0.000 0.472 112 I N 1.420 121.951 120.570 -0.066 0.000 2.151 112 I HA -0.324 3.848 4.170 0.003 0.000 0.243 112 I C 2.427 178.512 176.117 -0.054 0.000 1.080 112 I CA 1.416 62.693 61.300 -0.038 0.000 1.339 112 I CB -0.331 37.659 38.000 -0.017 0.000 1.039 112 I HN 0.132 nan 8.210 nan 0.000 0.409 113 K N 0.847 121.200 120.400 -0.078 0.000 2.209 113 K HA -0.139 4.183 4.320 0.003 0.000 0.204 113 K C 1.908 178.434 176.600 -0.123 0.000 1.048 113 K CA 1.841 58.087 56.287 -0.068 0.000 0.940 113 K CB -0.321 32.152 32.500 -0.045 0.000 0.729 113 K HN 0.367 nan 8.250 nan 0.000 0.451 114 S N 0.561 116.092 115.700 -0.281 0.000 2.535 114 S HA 0.133 4.605 4.470 0.003 0.000 0.214 114 S C 0.914 175.387 174.600 -0.212 0.000 0.980 114 S CA -0.639 57.280 58.200 -0.469 0.000 0.907 114 S CB -0.373 62.109 63.200 -1.197 0.000 0.790 114 S HN 0.438 nan 8.310 nan 0.000 0.510 115 M N 1.175 120.704 119.600 -0.117 0.000 2.662 115 M HA 0.684 5.166 4.480 0.003 0.000 0.310 115 M C -0.313 175.988 176.300 0.002 0.000 1.204 115 M CA -0.914 54.360 55.300 -0.044 0.000 0.891 115 M CB 1.933 34.511 32.600 -0.037 0.000 1.732 115 M HN 0.077 nan 8.290 nan 0.000 0.467 116 S N 0.547 116.258 115.700 0.018 0.000 2.614 116 S HA 0.187 4.659 4.470 0.003 0.000 0.265 116 S C 0.930 175.560 174.600 0.050 0.000 1.303 116 S CA 0.009 58.231 58.200 0.037 0.000 1.000 116 S CB 1.521 64.739 63.200 0.030 0.000 0.935 116 S HN 0.852 nan 8.310 nan 0.000 0.551 117 S N 1.910 117.649 115.700 0.064 0.000 2.359 117 S HA -0.025 4.447 4.470 0.003 0.000 0.224 117 S C -0.619 174.019 174.600 0.063 0.000 1.035 117 S CA 1.476 59.727 58.200 0.085 0.000 1.018 117 S CB -1.450 61.807 63.200 0.096 0.000 0.876 117 S HN 0.784 nan 8.310 nan 0.000 0.448 118 P HA -0.014 nan 4.420 nan 0.000 0.218 118 P C 1.359 178.661 177.300 0.003 0.000 1.149 118 P CA 1.294 64.396 63.100 0.003 0.000 0.817 118 P CB -0.549 31.150 31.700 -0.002 0.000 0.785 119 T N 0.395 114.961 114.554 0.019 0.000 2.708 119 T HA -0.084 4.268 4.350 0.003 0.000 0.266 119 T C 1.916 176.642 174.700 0.044 0.000 1.037 119 T CA 1.149 63.263 62.100 0.023 0.000 1.146 119 T CB -0.792 68.087 68.868 0.020 0.000 0.865 119 T HN 0.066 nan 8.240 nan 0.000 0.435 120 I N 0.771 121.386 120.570 0.076 0.000 2.179 120 I HA -0.190 3.982 4.170 0.003 0.000 0.242 120 I C 2.550 178.767 176.117 0.166 0.000 1.088 120 I CA 1.349 62.735 61.300 0.144 0.000 1.357 120 I CB -0.390 37.724 38.000 0.190 0.000 1.051 120 I HN 0.244 nan 8.210 nan 0.000 0.409 121 M N 0.217 119.858 119.600 0.069 0.000 2.149 121 M HA -0.214 4.268 4.480 0.003 0.000 0.261 121 M C 2.554 178.753 176.300 -0.168 0.000 1.064 121 M CA 1.975 57.176 55.300 -0.166 0.000 1.102 121 M CB -0.541 31.904 32.600 -0.259 0.000 1.369 121 M HN 0.350 nan 8.290 nan 0.000 0.408 122 A N 0.623 123.395 122.820 -0.080 0.000 1.902 122 A HA -0.129 4.193 4.320 0.003 0.000 0.217 122 A C 2.041 179.602 177.584 -0.037 0.000 1.181 122 A CA 1.403 53.402 52.037 -0.064 0.000 0.623 122 A CB -0.833 18.153 19.000 -0.023 0.000 0.818 122 A HN 0.455 nan 8.150 nan 0.000 0.443 123 I N -0.320 120.260 120.570 0.018 0.000 2.226 123 I HA -0.201 3.971 4.170 0.003 0.000 0.245 123 I C 2.714 178.809 176.117 -0.038 0.000 1.100 123 I CA 1.102 62.467 61.300 0.108 0.000 1.374 123 I CB -0.651 37.445 38.000 0.159 0.000 1.057 123 I HN 0.397 nan 8.210 nan 0.000 0.413 124 G N 0.560 109.174 108.800 -0.309 0.000 2.459 124 G HA2 -0.268 3.694 3.960 0.003 0.000 0.217 124 G HA3 -0.268 3.694 3.960 0.003 0.000 0.217 124 G C 1.863 176.435 174.900 -0.547 0.000 1.183 124 G CA 0.890 45.374 45.100 -1.026 0.000 0.776 124 G HN 0.493 nan 8.290 nan 0.000 0.552 125 A N 1.066 123.694 122.820 -0.319 0.000 1.933 125 A HA 0.271 4.593 4.320 0.003 0.000 0.218 125 A C 2.814 180.312 177.584 -0.143 0.000 1.175 125 A CA 2.290 54.204 52.037 -0.204 0.000 0.628 125 A CB -0.764 18.127 19.000 -0.183 0.000 0.814 125 A HN 0.809 nan 8.150 nan 0.000 0.444 126 A N -0.204 122.539 122.820 -0.128 0.000 1.877 126 A HA -0.175 4.147 4.320 0.003 0.000 0.216 126 A C 2.000 179.445 177.584 -0.230 0.000 1.186 126 A CA 1.902 53.856 52.037 -0.139 0.000 0.620 126 A CB -0.593 18.359 19.000 -0.080 0.000 0.822 126 A HN 0.675 nan 8.150 nan 0.000 0.443 127 E N -0.008 120.071 120.200 -0.203 0.000 2.058 127 E HA -0.200 4.152 4.350 0.003 0.000 0.194 127 E C 1.877 178.493 176.600 0.026 0.000 0.997 127 E CA 1.523 57.859 56.400 -0.107 0.000 0.801 127 E CB -0.289 29.571 29.700 0.266 0.000 0.746 127 E HN 0.613 nan 8.360 nan 0.000 0.450 128 L N 0.125 121.375 121.223 0.045 0.000 2.093 128 L HA -0.111 4.231 4.340 0.003 0.000 0.208 128 L C 2.651 179.552 176.870 0.052 0.000 1.085 128 L CA 0.892 55.787 54.840 0.093 0.000 0.755 128 L CB -0.486 41.624 42.059 0.085 0.000 0.904 128 L HN 0.253 nan 8.230 nan 0.000 0.435 129 A N -0.124 122.689 122.820 -0.011 0.000 1.873 129 A HA -0.211 4.111 4.320 0.003 0.000 0.215 129 A C 2.299 179.881 177.584 -0.005 0.000 1.186 129 A CA 1.653 53.681 52.037 -0.015 0.000 0.616 129 A CB -0.444 18.525 19.000 -0.053 0.000 0.823 129 A HN 0.319 nan 8.150 nan 0.000 0.442 130 M N -1.181 118.393 119.600 -0.044 0.000 2.229 130 M HA -0.108 4.374 4.480 0.003 0.000 0.264 130 M C 2.221 178.491 176.300 -0.050 0.000 1.063 130 M CA 1.680 56.931 55.300 -0.081 0.000 1.114 130 M CB -0.181 32.325 32.600 -0.156 0.000 1.387 130 M HN 0.428 nan 8.290 nan 0.000 0.420 131 K N 0.387 120.872 120.400 0.141 0.000 2.057 131 K HA -0.209 4.113 4.320 0.003 0.000 0.206 131 K C 1.509 178.198 176.600 0.149 0.000 1.050 131 K CA 1.767 58.200 56.287 0.243 0.000 0.935 131 K CB -0.027 32.603 32.500 0.216 0.000 0.715 131 K HN 0.132 nan 8.250 nan 0.000 0.439 132 D N -0.551 119.920 120.400 0.119 0.000 2.144 132 D HA -0.133 4.509 4.640 0.003 0.000 0.199 132 D C 1.806 178.152 176.300 0.076 0.000 0.984 132 D CA 1.222 55.299 54.000 0.129 0.000 0.834 132 D CB -0.037 40.861 40.800 0.164 0.000 0.955 132 D HN 0.109 nan 8.370 nan 0.000 0.465 133 S N -1.583 114.142 115.700 0.042 0.000 2.436 133 S HA 0.115 4.587 4.470 0.003 0.000 0.228 133 S C 1.571 176.189 174.600 0.029 0.000 1.014 133 S CA 1.266 59.475 58.200 0.015 0.000 0.950 133 S CB -0.336 62.877 63.200 0.022 0.000 0.784 133 S HN 0.527 nan 8.310 nan 0.000 0.504 134 G N 0.300 109.104 108.800 0.007 0.000 2.147 134 G HA2 -0.249 3.713 3.960 0.003 0.000 0.244 134 G HA3 -0.249 3.713 3.960 0.003 0.000 0.244 134 G C -0.236 174.651 174.900 -0.022 0.000 1.005 134 G CA 0.209 45.328 45.100 0.031 0.000 0.713 134 G HN 0.582 nan 8.290 nan 0.000 0.515 135 W N 1.865 122.889 121.300 -0.461 0.000 2.294 135 W HA 0.636 5.295 4.660 -0.000 0.000 0.314 135 W C -0.695 175.479 176.519 -0.574 0.000 1.044 135 W CA -0.585 56.552 57.345 -0.346 0.000 1.284 135 W CB 0.704 30.062 29.460 -0.170 0.000 1.231 135 W HN 0.254 nan 8.180 nan 0.000 0.419 136 H N 6.257 125.021 119.070 -0.510 0.000 2.607 136 H HA 0.196 4.753 4.556 0.002 0.000 0.248 136 H C -2.255 172.745 175.328 -0.546 0.000 1.355 136 H CA -1.547 54.274 56.048 -0.380 0.000 1.524 136 H CB 0.946 30.613 29.762 -0.159 0.000 1.563 136 H HN 0.170 nan 8.280 nan 0.000 0.509 137 P HA 0.038 nan 4.420 nan 0.000 0.267 137 P C 0.597 177.772 177.300 -0.208 0.000 1.205 137 P CA 0.054 62.840 63.100 -0.524 0.000 0.765 137 P CB 1.670 33.179 31.700 -0.318 0.000 0.828 138 Q N 0.644 120.343 119.800 -0.168 0.000 2.532 138 Q HA 0.063 4.405 4.340 0.003 0.000 0.247 138 Q C 0.861 176.835 176.000 -0.045 0.000 0.872 138 Q CA 0.561 56.317 55.803 -0.079 0.000 0.963 138 Q CB -0.409 28.288 28.738 -0.068 0.000 1.159 138 Q HN 0.618 nan 8.270 nan 0.000 0.598 139 S N 1.067 116.742 115.700 -0.041 0.000 2.585 139 S HA 0.078 4.550 4.470 0.003 0.000 0.273 139 S C 1.046 175.652 174.600 0.009 0.000 1.339 139 S CA -0.099 58.096 58.200 -0.007 0.000 1.028 139 S CB 1.753 64.958 63.200 0.008 0.000 0.906 139 S HN 0.154 nan 8.310 nan 0.000 0.528 140 E N 2.479 122.688 120.200 0.016 0.000 2.097 140 E HA -0.164 4.188 4.350 0.003 0.000 0.196 140 E C 2.025 178.651 176.600 0.042 0.000 1.000 140 E CA 1.956 58.371 56.400 0.025 0.000 0.804 140 E CB -0.889 28.824 29.700 0.021 0.000 0.740 140 E HN 0.836 nan 8.360 nan 0.000 0.454 141 A N 0.672 123.523 122.820 0.051 0.000 1.877 141 A HA -0.205 4.117 4.320 0.003 0.000 0.216 141 A C 1.972 179.627 177.584 0.119 0.000 1.186 141 A CA 1.934 54.016 52.037 0.075 0.000 0.620 141 A CB -0.736 18.309 19.000 0.076 0.000 0.822 141 A HN 0.305 nan 8.150 nan 0.000 0.443 142 D N -0.619 119.860 120.400 0.131 0.000 2.144 142 D HA -0.112 4.530 4.640 0.003 0.000 0.200 142 D C 2.211 178.624 176.300 0.188 0.000 0.978 142 D CA 1.286 55.420 54.000 0.223 0.000 0.833 142 D CB -0.354 40.510 40.800 0.106 0.000 0.961 142 D HN 0.627 nan 8.370 nan 0.000 0.470 143 Q N 0.172 120.025 119.800 0.089 0.000 2.079 143 Q HA -0.096 4.246 4.340 0.003 0.000 0.200 143 Q C 2.418 178.469 176.000 0.085 0.000 0.974 143 Q CA 1.314 57.163 55.803 0.077 0.000 0.840 143 Q CB 0.021 28.783 28.738 0.039 0.000 0.898 143 Q HN 0.321 nan 8.270 nan 0.000 0.430 144 V N -2.344 117.613 119.914 0.071 0.000 2.809 144 V HA 0.019 4.141 4.120 0.003 0.000 0.256 144 V C 1.839 177.965 176.094 0.053 0.000 1.080 144 V CA 1.521 63.851 62.300 0.050 0.000 1.102 144 V CB -0.724 31.120 31.823 0.036 0.000 0.705 144 V HN 0.244 nan 8.190 nan 0.000 0.475 145 A N -0.050 122.824 122.820 0.091 0.000 2.208 145 A HA 0.249 4.571 4.320 0.003 0.000 0.209 145 A C 1.250 178.866 177.584 0.053 0.000 1.161 145 A CA 0.969 53.047 52.037 0.069 0.000 0.782 145 A CB -0.436 18.631 19.000 0.112 0.000 0.816 145 A HN 0.572 nan 8.150 nan 0.000 0.477 146 T N 0.299 114.921 114.554 0.113 0.000 2.791 146 T HA 0.567 4.919 4.350 0.003 0.000 0.288 146 T C 0.277 175.019 174.700 0.070 0.000 0.999 146 T CA 0.009 62.188 62.100 0.132 0.000 0.952 146 T CB 1.472 70.546 68.868 0.343 0.000 0.938 146 T HN 0.341 nan 8.240 nan 0.000 0.444 147 G N 0.914 109.724 108.800 0.017 0.000 2.820 147 G HA2 0.755 4.717 3.960 0.003 0.000 0.291 147 G HA3 0.755 4.717 3.960 0.003 0.000 0.291 147 G C -1.353 173.558 174.900 0.018 0.000 1.323 147 G CA -0.708 44.386 45.100 -0.010 0.000 1.055 147 G HN 0.682 nan 8.290 nan 0.000 0.520 148 V N -1.004 118.919 119.914 0.015 0.000 2.760 148 V HA 0.763 4.885 4.120 0.003 0.000 0.309 148 V C -0.901 175.232 176.094 0.065 0.000 1.077 148 V CA -0.267 62.060 62.300 0.045 0.000 0.910 148 V CB 1.782 33.641 31.823 0.060 0.000 1.008 148 V HN 1.554 nan 8.190 nan 0.000 0.424 149 A N 7.813 130.685 122.820 0.087 0.000 2.855 149 A HA 0.753 5.075 4.320 0.003 0.000 0.313 149 A C -0.999 176.645 177.584 0.099 0.000 1.173 149 A CA -0.252 51.876 52.037 0.150 0.000 0.753 149 A CB 0.269 19.401 19.000 0.221 0.000 1.200 149 A HN 0.740 nan 8.150 nan 0.000 0.442 150 I N 2.048 122.661 120.570 0.071 0.000 2.418 150 I HA 0.550 4.722 4.170 0.003 0.000 0.287 150 I C 0.779 176.913 176.117 0.029 0.000 1.008 150 I CA -0.551 60.771 61.300 0.036 0.000 1.104 150 I CB 2.230 40.242 38.000 0.020 0.000 1.264 150 I HN 0.596 nan 8.210 nan 0.000 0.438 151 G N 5.899 114.714 108.800 0.024 0.000 2.491 151 G HA2 0.761 4.723 3.960 0.003 0.000 0.327 151 G HA3 0.761 4.723 3.960 0.003 0.000 0.327 151 G C -1.070 173.830 174.900 0.000 0.000 1.189 151 G CA -0.627 44.483 45.100 0.017 0.000 0.956 151 G HN 0.524 nan 8.290 nan 0.000 0.491 152 M N 0.941 120.540 119.600 -0.001 0.000 2.324 152 M HA 0.430 4.912 4.480 0.003 0.000 0.288 152 M C 0.961 177.261 176.300 0.001 0.000 1.097 152 M CA -0.667 54.629 55.300 -0.007 0.000 0.928 152 M CB 2.062 34.657 32.600 -0.008 0.000 1.648 152 M HN 0.651 nan 8.290 nan 0.000 0.460 153 G N 4.133 112.930 108.800 -0.004 0.000 2.430 153 G HA2 0.080 4.042 3.960 0.003 0.000 0.216 153 G HA3 0.080 4.042 3.960 0.003 0.000 0.216 153 G C 0.215 175.130 174.900 0.024 0.000 1.146 153 G CA 0.277 45.381 45.100 0.007 0.000 0.793 153 G HN 0.577 nan 8.290 nan 0.000 0.537 154 M N 0.646 120.261 119.600 0.026 0.000 2.433 154 M HA 0.478 4.960 4.480 0.003 0.000 0.290 154 M C -0.711 175.609 176.300 0.032 0.000 1.173 154 M CA -1.186 54.140 55.300 0.043 0.000 0.905 154 M CB 2.382 35.032 32.600 0.083 0.000 1.692 154 M HN 0.136 nan 8.290 nan 0.000 0.462 155 I N 1.932 122.518 120.570 0.027 0.000 2.892 155 I HA 0.320 4.492 4.170 0.003 0.000 0.287 155 I C -2.091 174.049 176.117 0.038 0.000 1.205 155 I CA -1.379 59.932 61.300 0.018 0.000 1.409 155 I CB -0.238 37.766 38.000 0.007 0.000 1.367 155 I HN 0.458 nan 8.210 nan 0.000 0.597 156 P HA 0.130 nan 4.420 nan 0.000 0.271 156 P C 0.670 178.015 177.300 0.075 0.000 1.380 156 P CA 0.010 63.145 63.100 0.058 0.000 0.992 156 P CB 0.684 32.418 31.700 0.056 0.000 1.230 157 L N 1.892 123.163 121.223 0.080 0.000 2.083 157 L HA -0.172 4.170 4.340 0.003 0.000 0.209 157 L C 2.207 179.132 176.870 0.092 0.000 1.083 157 L CA 1.453 56.343 54.840 0.084 0.000 0.752 157 L CB -0.572 41.535 42.059 0.081 0.000 0.899 157 L HN 0.269 nan 8.230 nan 0.000 0.433 158 E N -0.163 120.091 120.200 0.090 0.000 2.152 158 E HA -0.115 4.236 4.350 0.003 0.000 0.192 158 E C 2.377 179.037 176.600 0.101 0.000 0.983 158 E CA 0.863 57.315 56.400 0.085 0.000 0.818 158 E CB -0.249 29.498 29.700 0.078 0.000 0.758 158 E HN 0.332 nan 8.360 nan 0.000 0.467 159 V N 1.146 121.134 119.914 0.123 0.000 2.343 159 V HA -0.200 3.922 4.120 0.003 0.000 0.247 159 V C 2.547 178.796 176.094 0.259 0.000 1.051 159 V CA 1.207 63.612 62.300 0.175 0.000 1.036 159 V CB -0.541 31.390 31.823 0.179 0.000 0.654 159 V HN 0.057 nan 8.190 nan 0.000 0.451 160 V N 1.067 121.131 119.914 0.249 0.000 2.295 160 V HA -0.228 3.894 4.120 0.003 0.000 0.246 160 V C 2.735 178.929 176.094 0.167 0.000 1.049 160 V CA 2.377 64.857 62.300 0.300 0.000 1.024 160 V CB -0.835 31.116 31.823 0.213 0.000 0.648 160 V HN 0.762 nan 8.190 nan 0.000 0.447 161 S N -0.103 115.666 115.700 0.114 0.000 2.383 161 S HA -0.203 4.269 4.470 0.003 0.000 0.227 161 S C 1.791 176.420 174.600 0.049 0.000 1.026 161 S CA 1.522 59.767 58.200 0.074 0.000 0.981 161 S CB -0.432 62.804 63.200 0.060 0.000 0.818 161 S HN 0.703 nan 8.310 nan 0.000 0.472 162 E N 0.941 121.170 120.200 0.049 0.000 2.072 162 E HA -0.055 4.297 4.350 0.003 0.000 0.191 162 E C 2.113 178.707 176.600 -0.010 0.000 0.985 162 E CA 1.545 57.960 56.400 0.025 0.000 0.801 162 E CB -0.382 29.339 29.700 0.035 0.000 0.750 162 E HN 0.577 nan 8.360 nan 0.000 0.452 163 T N 0.902 115.425 114.554 -0.051 0.000 2.777 163 T HA -0.139 4.213 4.350 0.003 0.000 0.266 163 T C 2.019 176.631 174.700 -0.146 0.000 1.040 163 T CA 1.117 63.086 62.100 -0.218 0.000 1.141 163 T CB -0.234 68.239 68.868 -0.659 0.000 0.868 163 T HN 0.241 nan 8.240 nan 0.000 0.444 164 A N 1.377 124.165 122.820 -0.054 0.000 1.908 164 A HA -0.027 4.295 4.320 0.003 0.000 0.218 164 A C 2.302 179.936 177.584 0.082 0.000 1.181 164 A CA 1.283 53.358 52.037 0.063 0.000 0.627 164 A CB -0.876 18.174 19.000 0.083 0.000 0.818 164 A HN 0.476 nan 8.150 nan 0.000 0.445 165 L N -0.491 120.753 121.223 0.035 0.000 2.056 165 L HA -0.198 4.144 4.340 0.003 0.000 0.207 165 L C 2.391 179.265 176.870 0.008 0.000 1.078 165 L CA 1.249 56.100 54.840 0.018 0.000 0.749 165 L CB -0.713 41.352 42.059 0.010 0.000 0.901 165 L HN 0.352 nan 8.230 nan 0.000 0.433 166 N N 0.093 118.797 118.700 0.007 0.000 2.069 166 N HA -0.238 4.504 4.740 0.003 0.000 0.191 166 N C 1.701 177.232 175.510 0.034 0.000 1.031 166 N CA 1.412 54.464 53.050 0.003 0.000 0.852 166 N CB -0.514 37.963 38.487 -0.017 0.000 1.018 166 N HN 0.206 nan 8.380 nan 0.000 0.423 167 F N 1.965 121.856 119.950 -0.099 0.000 2.134 167 F HA -0.145 4.384 4.527 0.004 0.000 0.299 167 F C 2.197 177.979 175.800 -0.030 0.000 1.097 167 F CA 1.505 59.461 58.000 -0.074 0.000 1.264 167 F CB -0.412 38.530 39.000 -0.098 0.000 1.001 167 F HN 0.072 nan 8.300 nan 0.000 0.479 168 Q N -0.931 118.753 119.800 -0.193 0.000 2.230 168 Q HA -0.093 4.249 4.340 0.003 0.000 0.202 168 Q C 1.886 177.768 176.000 -0.197 0.000 0.963 168 Q CA 1.901 57.540 55.803 -0.274 0.000 0.866 168 Q CB -0.138 28.540 28.738 -0.101 0.000 0.931 168 Q HN 0.378 nan 8.270 nan 0.000 0.452 169 T N -0.111 114.372 114.554 -0.118 0.000 3.021 169 T HA 0.074 4.426 4.350 0.003 0.000 0.245 169 T C 1.355 176.010 174.700 -0.075 0.000 1.028 169 T CA 0.594 62.646 62.100 -0.081 0.000 1.139 169 T CB 0.199 69.039 68.868 -0.045 0.000 0.884 169 T HN 0.037 nan 8.240 nan 0.000 0.457 170 K N 0.122 120.483 120.400 -0.064 0.000 2.380 170 K HA 0.462 4.784 4.320 0.003 0.000 0.198 170 K C 0.745 177.326 176.600 -0.031 0.000 1.070 170 K CA 0.096 56.360 56.287 -0.039 0.000 1.040 170 K CB 1.209 33.697 32.500 -0.019 0.000 0.903 170 K HN 0.387 nan 8.250 nan 0.000 0.549 171 G N 0.534 109.296 108.800 -0.064 0.000 2.655 171 G HA2 -0.336 3.626 3.960 0.003 0.000 0.680 171 G HA3 -0.336 3.626 3.960 0.003 0.000 0.680 171 G C 0.011 175.019 174.900 0.180 0.000 1.302 171 G CA -0.176 44.903 45.100 -0.034 0.000 0.872 171 G HN 0.074 nan 8.290 nan 0.000 0.540 172 Y N 1.048 121.458 120.300 0.183 0.000 2.102 172 Y HA -0.228 4.324 4.550 0.003 0.000 0.280 172 Y C 2.619 178.607 175.900 0.146 0.000 1.178 172 Y CA 3.101 61.381 58.100 0.300 0.000 1.146 172 Y CB -0.501 38.090 38.460 0.219 0.000 0.968 172 Y HN 0.589 nan 8.280 nan 0.000 0.504 173 N N -0.440 118.242 118.700 -0.030 0.000 2.520 173 N HA -0.122 4.620 4.740 0.003 0.000 0.185 173 N C 1.180 176.609 175.510 -0.135 0.000 1.068 173 N CA 0.710 53.670 53.050 -0.151 0.000 0.911 173 N CB 0.018 38.511 38.487 0.010 0.000 0.961 173 N HN 0.201 nan 8.380 nan 0.000 0.446 174 K N 0.256 120.611 120.400 -0.074 0.000 2.400 174 K HA 0.141 4.463 4.320 0.003 0.000 0.194 174 K C -0.092 176.457 176.600 -0.085 0.000 1.033 174 K CA 0.078 56.333 56.287 -0.054 0.000 1.021 174 K CB 0.172 32.663 32.500 -0.015 0.000 0.808 174 K HN 0.003 nan 8.250 nan 0.000 0.505 175 V N 2.492 122.318 119.914 -0.146 0.000 2.521 175 V HA -0.001 4.121 4.120 0.003 0.000 0.286 175 V C 0.821 176.819 176.094 -0.159 0.000 1.034 175 V CA -0.307 61.871 62.300 -0.203 0.000 1.045 175 V CB 1.042 32.689 31.823 -0.293 0.000 0.974 175 V HN 0.153 nan 8.190 nan 0.000 0.480 176 S N 6.408 122.068 115.700 -0.066 0.000 2.549 176 S HA 0.174 4.646 4.470 0.003 0.000 0.283 176 S C -1.180 173.423 174.600 0.005 0.000 1.320 176 S CA -0.917 57.297 58.200 0.022 0.000 1.058 176 S CB 0.925 64.220 63.200 0.159 0.000 0.882 176 S HN 0.651 nan 8.310 nan 0.000 0.498 177 P HA 0.001 nan 4.420 nan 0.000 0.225 177 P C 0.349 177.526 177.300 -0.204 0.000 1.148 177 P CA 0.957 63.931 63.100 -0.210 0.000 0.779 177 P CB 0.007 31.481 31.700 -0.377 0.000 0.780 178 F N -2.881 117.103 119.950 0.056 0.000 2.797 178 F HA 0.122 4.651 4.527 0.003 0.000 0.302 178 F C 1.904 177.761 175.800 0.095 0.000 1.130 178 F CA -0.137 57.897 58.000 0.057 0.000 1.387 178 F CB -0.899 38.129 39.000 0.046 0.000 1.107 178 F HN -0.147 nan 8.300 nan 0.000 0.577 179 F N 0.668 120.680 119.950 0.103 0.000 2.069 179 F HA -0.245 4.284 4.527 0.003 0.000 0.298 179 F C 2.137 177.964 175.800 0.044 0.000 1.113 179 F CA 1.654 59.688 58.000 0.057 0.000 1.214 179 F CB -0.816 38.182 39.000 -0.002 0.000 0.978 179 F HN -0.179 nan 8.300 nan 0.000 0.474 180 V N 2.151 121.960 119.914 -0.175 0.000 2.261 180 V HA -0.217 3.905 4.120 0.003 0.000 0.246 180 V C -0.277 175.714 176.094 -0.172 0.000 1.047 180 V CA 2.493 64.612 62.300 -0.301 0.000 1.015 180 V CB -2.172 29.568 31.823 -0.138 0.000 0.642 180 V HN 0.256 nan 8.190 nan 0.000 0.446 181 P HA -0.188 nan 4.420 nan 0.000 0.220 181 P C 1.545 178.846 177.300 0.001 0.000 1.148 181 P CA 1.504 64.609 63.100 0.008 0.000 0.803 181 P CB -0.010 31.747 31.700 0.095 0.000 0.782 182 K N 0.528 120.939 120.400 0.017 0.000 2.097 182 K HA -0.107 4.215 4.320 0.003 0.000 0.206 182 K C 2.114 178.686 176.600 -0.048 0.000 1.049 182 K CA 1.363 57.656 56.287 0.009 0.000 0.933 182 K CB -0.376 32.170 32.500 0.076 0.000 0.717 182 K HN 0.211 nan 8.250 nan 0.000 0.442 183 I N -1.442 119.038 120.570 -0.150 0.000 3.603 183 I HA 0.128 4.300 4.170 0.003 0.000 0.297 183 I C 0.048 176.092 176.117 -0.121 0.000 1.269 183 I CA -0.313 60.889 61.300 -0.164 0.000 1.361 183 I CB 0.110 37.912 38.000 -0.329 0.000 1.063 183 I HN -0.124 nan 8.210 nan 0.000 0.448 184 L N 1.443 122.602 121.223 -0.107 0.000 2.416 184 L HA 0.094 4.436 4.340 0.003 0.000 0.272 184 L C 1.503 178.346 176.870 -0.045 0.000 1.161 184 L CA -0.311 54.484 54.840 -0.075 0.000 0.845 184 L CB 1.716 43.736 42.059 -0.064 0.000 1.119 184 L HN 0.007 nan 8.230 nan 0.000 0.464 185 V N 2.446 122.337 119.914 -0.038 0.000 2.594 185 V HA -0.234 3.888 4.120 0.003 0.000 0.253 185 V C 2.023 178.103 176.094 -0.023 0.000 1.069 185 V CA 1.957 64.241 62.300 -0.025 0.000 1.082 185 V CB -0.668 31.142 31.823 -0.022 0.000 0.680 185 V HN 1.024 nan 8.190 nan 0.000 0.469 186 N N -0.893 117.790 118.700 -0.028 0.000 2.398 186 N HA -0.065 4.677 4.740 0.003 0.000 0.188 186 N C 1.339 176.842 175.510 -0.011 0.000 1.122 186 N CA 0.449 53.484 53.050 -0.024 0.000 0.866 186 N CB -0.002 38.465 38.487 -0.033 0.000 0.970 186 N HN 0.289 nan 8.380 nan 0.000 0.462 187 M N 0.341 119.935 119.600 -0.011 0.000 2.492 187 M HA 0.194 4.676 4.480 0.003 0.000 0.262 187 M C 1.989 178.293 176.300 0.008 0.000 1.090 187 M CA 0.139 55.438 55.300 -0.002 0.000 1.110 187 M CB -0.842 31.756 32.600 -0.005 0.000 1.407 187 M HN 0.287 nan 8.290 nan 0.000 0.470 188 A N 0.536 123.361 122.820 0.007 0.000 1.858 188 A HA -0.001 4.321 4.320 0.003 0.000 0.216 188 A C 2.429 180.030 177.584 0.029 0.000 1.190 188 A CA 2.032 54.079 52.037 0.016 0.000 0.617 188 A CB -0.861 18.143 19.000 0.006 0.000 0.827 188 A HN 0.432 nan 8.150 nan 0.000 0.443 189 A N -0.505 122.330 122.820 0.025 0.000 1.902 189 A HA 0.112 4.434 4.320 0.003 0.000 0.217 189 A C 2.420 180.028 177.584 0.039 0.000 1.181 189 A CA 1.999 54.058 52.037 0.037 0.000 0.623 189 A CB -1.426 17.594 19.000 0.033 0.000 0.818 189 A HN 0.747 nan 8.150 nan 0.000 0.443 190 G N -1.164 107.651 108.800 0.025 0.000 2.421 190 G HA2 -0.219 3.743 3.960 0.003 0.000 0.216 190 G HA3 -0.219 3.743 3.960 0.003 0.000 0.216 190 G C 1.590 176.505 174.900 0.025 0.000 1.171 190 G CA 0.974 46.087 45.100 0.022 0.000 0.775 190 G HN 0.494 nan 8.290 nan 0.000 0.543 191 Q N 0.057 119.872 119.800 0.024 0.000 2.123 191 Q HA 0.003 4.345 4.340 0.003 0.000 0.199 191 Q C 2.972 178.990 176.000 0.030 0.000 0.966 191 Q CA 0.818 56.630 55.803 0.014 0.000 0.845 191 Q CB -0.538 28.206 28.738 0.011 0.000 0.907 191 Q HN 0.408 nan 8.270 nan 0.000 0.439 192 V N 1.027 120.993 119.914 0.086 0.000 2.343 192 V HA -0.241 3.881 4.120 0.003 0.000 0.247 192 V C 2.567 178.776 176.094 0.193 0.000 1.051 192 V CA 1.955 64.374 62.300 0.199 0.000 1.036 192 V CB -0.691 31.248 31.823 0.193 0.000 0.654 192 V HN 0.370 nan 8.190 nan 0.000 0.451 193 S N -0.242 115.524 115.700 0.109 0.000 2.359 193 S HA -0.185 4.287 4.470 0.003 0.000 0.224 193 S C 1.930 176.560 174.600 0.050 0.000 1.035 193 S CA 1.952 60.204 58.200 0.087 0.000 1.018 193 S CB -0.369 62.863 63.200 0.053 0.000 0.876 193 S HN 0.513 nan 8.310 nan 0.000 0.448 194 I N 0.986 121.563 120.570 0.012 0.000 2.252 194 I HA -0.110 4.062 4.170 0.003 0.000 0.245 194 I C 2.796 178.862 176.117 -0.085 0.000 1.102 194 I CA 1.504 62.790 61.300 -0.023 0.000 1.385 194 I CB -0.292 37.694 38.000 -0.022 0.000 1.064 194 I HN 0.284 nan 8.210 nan 0.000 0.414 195 R N 0.660 121.053 120.500 -0.178 0.000 2.115 195 R HA -0.149 4.193 4.340 0.003 0.000 0.226 195 R C 1.341 177.287 176.300 -0.589 0.000 1.100 195 R CA 1.784 57.622 56.100 -0.437 0.000 0.980 195 R CB -0.366 29.543 30.300 -0.651 0.000 0.875 195 R HN 0.350 nan 8.270 nan 0.000 0.445 196 Y N 0.481 120.804 120.300 0.038 0.000 2.507 196 Y HA 0.368 4.920 4.550 0.003 0.000 0.254 196 Y C -0.284 175.630 175.900 0.023 0.000 1.171 196 Y CA -0.465 57.659 58.100 0.040 0.000 1.238 196 Y CB 0.244 38.740 38.460 0.061 0.000 1.148 196 Y HN -0.065 nan 8.280 nan 0.000 0.525 197 K N 0.685 121.133 120.400 0.081 0.000 3.162 197 K HA -0.186 4.136 4.320 0.003 0.000 0.268 197 K C -1.091 175.553 176.600 0.074 0.000 1.062 197 K CA 0.304 56.624 56.287 0.054 0.000 0.769 197 K CB -2.124 30.396 32.500 0.034 0.000 1.274 197 K HN 0.314 nan 8.250 nan 0.000 0.478 198 L N 0.965 122.243 121.223 0.092 0.000 2.262 198 L HA 0.239 4.581 4.340 0.003 0.000 0.288 198 L C 1.142 178.047 176.870 0.058 0.000 1.035 198 L CA -0.400 54.496 54.840 0.094 0.000 0.820 198 L CB 1.026 43.156 42.059 0.119 0.000 1.204 198 L HN 0.151 nan 8.230 nan 0.000 0.424 199 K N 1.786 122.215 120.400 0.048 0.000 2.358 199 K HA 0.185 4.507 4.320 0.003 0.000 0.200 199 K C 1.067 177.671 176.600 0.007 0.000 1.030 199 K CA -0.195 56.107 56.287 0.026 0.000 1.097 199 K CB 1.062 33.578 32.500 0.026 0.000 0.862 199 K HN 0.769 nan 8.250 nan 0.000 0.534 200 G N 2.337 111.139 108.800 0.004 0.000 2.489 200 G HA2 0.144 4.106 3.960 0.003 0.000 0.271 200 G HA3 0.144 4.106 3.960 0.003 0.000 0.271 200 G C -2.486 172.364 174.900 -0.084 0.000 1.427 200 G CA -0.980 44.097 45.100 -0.037 0.000 1.057 200 G HN -0.110 nan 8.290 nan 0.000 0.532 201 P HA 0.030 nan 4.420 nan 0.000 0.263 201 P C -0.727 176.474 177.300 -0.166 0.000 1.175 201 P CA 0.579 63.511 63.100 -0.279 0.000 0.761 201 P CB 0.362 31.676 31.700 -0.643 0.000 0.794 202 N N 1.645 120.290 118.700 -0.092 0.000 2.531 202 N HA 0.217 4.959 4.740 0.003 0.000 0.268 202 N C -1.330 174.220 175.510 0.066 0.000 1.023 202 N CA -0.450 52.597 53.050 -0.005 0.000 0.896 202 N CB 0.488 38.974 38.487 -0.000 0.000 1.233 202 N HN 0.415 nan 8.380 nan 0.000 0.512 203 H N 2.331 121.386 119.070 -0.026 0.000 2.851 203 H HA 0.763 5.321 4.556 0.003 0.000 0.372 203 H C -1.819 173.538 175.328 0.049 0.000 1.158 203 H CA -0.814 55.251 56.048 0.030 0.000 1.159 203 H CB 1.985 31.806 29.762 0.098 0.000 1.757 203 H HN 0.581 nan 8.280 nan 0.000 0.546 204 A N 4.565 127.245 122.820 -0.232 0.000 2.429 204 A HA 0.429 4.751 4.320 0.003 0.000 0.289 204 A C -1.400 176.064 177.584 -0.199 0.000 1.043 204 A CA -0.493 51.474 52.037 -0.116 0.000 0.722 204 A CB 1.422 20.383 19.000 -0.064 0.000 1.243 204 A HN 0.384 nan 8.150 nan 0.000 0.415 205 V N 1.733 121.605 119.914 -0.071 0.000 2.834 205 V HA 0.854 4.976 4.120 0.003 0.000 0.313 205 V C 0.176 176.274 176.094 0.006 0.000 1.060 205 V CA 0.055 62.334 62.300 -0.034 0.000 0.989 205 V CB 2.116 33.985 31.823 0.076 0.000 1.041 205 V HN 1.221 nan 8.190 nan 0.000 0.459 206 S N 2.432 118.142 115.700 0.015 0.000 2.383 206 S HA 0.389 4.861 4.470 0.003 0.000 0.196 206 S C -0.193 174.443 174.600 0.060 0.000 1.364 206 S CA 0.032 58.250 58.200 0.031 0.000 1.212 206 S CB 0.406 63.611 63.200 0.009 0.000 1.171 206 S HN 1.056 nan 8.310 nan 0.000 0.456 207 T N 1.410 116.028 114.554 0.107 0.000 3.393 207 T HA 0.709 5.061 4.350 0.003 0.000 0.255 207 T C 0.964 175.733 174.700 0.116 0.000 1.008 207 T CA 0.219 62.410 62.100 0.151 0.000 1.053 207 T CB 0.206 69.266 68.868 0.321 0.000 1.120 207 T HN 1.387 nan 8.240 nan 0.000 0.538 208 A N 0.624 123.486 122.820 0.071 0.000 5.483 208 A HA -0.287 4.035 4.320 0.003 0.000 0.309 208 A C 1.801 179.378 177.584 -0.012 0.000 1.898 208 A CA 1.056 53.109 52.037 0.027 0.000 0.716 208 A CB -1.836 17.197 19.000 0.055 0.000 1.309 208 A HN 0.958 nan 8.150 nan 0.000 0.380 209 C N -0.061 119.215 119.300 -0.040 0.000 2.539 209 C HA 0.268 4.730 4.460 0.003 0.000 0.271 209 C C 2.370 177.346 174.990 -0.024 0.000 1.412 209 C CA 1.205 60.219 59.018 -0.006 0.000 1.729 209 C CB -1.841 25.950 27.740 0.084 0.000 1.739 209 C HN 0.755 nan 8.230 nan 0.000 0.570 210 T N -0.039 114.487 114.554 -0.048 0.000 3.044 210 T HA -0.045 4.307 4.350 0.003 0.000 0.250 210 T C 1.766 176.395 174.700 -0.118 0.000 1.081 210 T CA 0.789 62.795 62.100 -0.158 0.000 1.040 210 T CB -0.141 68.614 68.868 -0.188 0.000 0.962 210 T HN 0.513 nan 8.240 nan 0.000 0.506 211 T N 1.890 116.455 114.554 0.018 0.000 2.592 211 T HA -0.187 4.165 4.350 0.003 0.000 0.267 211 T C 2.310 177.033 174.700 0.037 0.000 1.060 211 T CA 1.887 64.034 62.100 0.078 0.000 1.167 211 T CB -0.872 68.021 68.868 0.041 0.000 0.863 211 T HN 0.542 nan 8.240 nan 0.000 0.431 212 G N 0.513 109.296 108.800 -0.029 0.000 2.422 212 G HA2 0.042 4.004 3.960 0.003 0.000 0.218 212 G HA3 0.042 4.004 3.960 0.003 0.000 0.218 212 G C 1.773 176.630 174.900 -0.071 0.000 1.140 212 G CA 0.930 45.998 45.100 -0.053 0.000 0.775 212 G HN 0.620 nan 8.290 nan 0.000 0.545 213 A N 0.471 123.228 122.820 -0.105 0.000 1.897 213 A HA 0.015 4.337 4.320 0.003 0.000 0.215 213 A C 2.019 179.567 177.584 -0.060 0.000 1.181 213 A CA 1.648 53.610 52.037 -0.124 0.000 0.620 213 A CB -0.698 18.193 19.000 -0.181 0.000 0.821 213 A HN 0.518 nan 8.150 nan 0.000 0.443 214 H N -0.605 118.499 119.070 0.056 0.000 2.387 214 H HA -0.017 4.541 4.556 0.003 0.000 0.299 214 H C 2.483 177.815 175.328 0.007 0.000 1.090 214 H CA 0.982 57.105 56.048 0.126 0.000 1.332 214 H CB 0.027 29.889 29.762 0.168 0.000 1.386 214 H HN 0.553 nan 8.280 nan 0.000 0.516 215 A N 0.444 123.342 122.820 0.130 0.000 1.902 215 A HA -0.156 4.166 4.320 0.003 0.000 0.217 215 A C 2.567 180.145 177.584 -0.009 0.000 1.181 215 A CA 1.699 53.787 52.037 0.086 0.000 0.623 215 A CB -0.784 18.253 19.000 0.061 0.000 0.818 215 A HN 0.225 nan 8.150 nan 0.000 0.443 216 V N -0.175 119.688 119.914 -0.085 0.000 2.307 216 V HA -0.148 3.974 4.120 0.003 0.000 0.245 216 V C 2.818 178.764 176.094 -0.246 0.000 1.045 216 V CA 1.927 64.145 62.300 -0.137 0.000 1.024 216 V CB -1.479 30.254 31.823 -0.151 0.000 0.651 216 V HN 0.606 nan 8.190 nan 0.000 0.449 217 G N -0.250 108.225 108.800 -0.541 0.000 2.421 217 G HA2 -0.236 3.726 3.960 0.003 0.000 0.216 217 G HA3 -0.236 3.726 3.960 0.003 0.000 0.216 217 G C 1.234 175.659 174.900 -0.793 0.000 1.171 217 G CA 0.993 45.322 45.100 -1.284 0.000 0.775 217 G HN 0.494 nan 8.290 nan 0.000 0.543 218 D N 0.706 120.842 120.400 -0.439 0.000 2.117 218 D HA -0.061 4.581 4.640 0.003 0.000 0.197 218 D C 2.850 178.982 176.300 -0.280 0.000 0.987 218 D CA 1.156 54.984 54.000 -0.286 0.000 0.829 218 D CB -0.302 40.419 40.800 -0.131 0.000 0.961 218 D HN 0.241 nan 8.370 nan 0.000 0.460 219 S N 0.290 115.969 115.700 -0.033 0.000 2.368 219 S HA -0.140 4.332 4.470 0.003 0.000 0.225 219 S C 1.677 176.316 174.600 0.064 0.000 1.030 219 S CA 0.502 58.769 58.200 0.111 0.000 0.999 219 S CB -0.386 62.858 63.200 0.072 0.000 0.844 219 S HN 0.305 nan 8.310 nan 0.000 0.459 220 F N 3.310 123.173 119.950 -0.144 0.000 2.069 220 F HA -0.160 4.369 4.527 0.003 0.000 0.298 220 F C 2.247 177.986 175.800 -0.102 0.000 1.113 220 F CA 1.473 59.396 58.000 -0.128 0.000 1.214 220 F CB -0.328 38.577 39.000 -0.158 0.000 0.978 220 F HN -0.021 nan 8.300 nan 0.000 0.474 221 R N -0.147 120.085 120.500 -0.448 0.000 2.081 221 R HA -0.155 4.187 4.340 0.003 0.000 0.235 221 R C 2.244 178.339 176.300 -0.343 0.000 1.131 221 R CA 1.500 57.282 56.100 -0.531 0.000 0.960 221 R CB -1.498 28.584 30.300 -0.365 0.000 0.856 221 R HN 0.345 nan 8.270 nan 0.000 0.436 222 F N 0.945 120.784 119.950 -0.185 0.000 2.134 222 F HA -0.100 4.429 4.527 0.003 0.000 0.299 222 F C 2.404 178.137 175.800 -0.111 0.000 1.097 222 F CA 0.808 58.727 58.000 -0.134 0.000 1.264 222 F CB -0.693 38.226 39.000 -0.135 0.000 1.001 222 F HN -0.098 nan 8.300 nan 0.000 0.479 223 I N -0.411 120.185 120.570 0.044 0.000 2.202 223 I HA -0.274 3.898 4.170 0.003 0.000 0.242 223 I C 2.603 178.644 176.117 -0.128 0.000 1.091 223 I CA 1.182 62.458 61.300 -0.041 0.000 1.368 223 I CB -0.806 37.162 38.000 -0.053 0.000 1.058 223 I HN 0.072 nan 8.210 nan 0.000 0.410 224 A N -0.051 122.590 122.820 -0.299 0.000 1.940 224 A HA -0.313 4.009 4.320 0.003 0.000 0.219 224 A C 2.161 179.556 177.584 -0.314 0.000 1.176 224 A CA 2.115 53.847 52.037 -0.508 0.000 0.631 224 A CB -1.015 17.295 19.000 -1.150 0.000 0.814 224 A HN 0.535 nan 8.150 nan 0.000 0.446 225 H N -1.645 117.283 119.070 -0.237 0.000 2.502 225 H HA 0.235 4.793 4.556 0.004 0.000 0.283 225 H C 1.428 176.728 175.328 -0.045 0.000 1.015 225 H CA 1.472 57.464 56.048 -0.093 0.000 1.298 225 H CB 0.048 29.788 29.762 -0.036 0.000 1.411 225 H HN 0.589 nan 8.280 nan 0.000 0.556 226 G N -0.218 108.586 108.800 0.007 0.000 2.163 226 G HA2 -0.235 3.727 3.960 0.003 0.000 0.213 226 G HA3 -0.235 3.727 3.960 0.003 0.000 0.213 226 G C 0.834 175.759 174.900 0.041 0.000 0.991 226 G CA 0.354 45.445 45.100 -0.016 0.000 0.653 226 G HN 0.511 nan 8.290 nan 0.000 0.518 227 D N 0.454 120.921 120.400 0.112 0.000 2.269 227 D HA 0.331 4.973 4.640 0.003 0.000 0.208 227 D C 1.300 177.590 176.300 -0.017 0.000 0.963 227 D CA 1.605 55.642 54.000 0.063 0.000 0.864 227 D CB 0.342 41.179 40.800 0.061 0.000 0.936 227 D HN 0.966 nan 8.370 nan 0.000 0.505 228 A N 0.079 122.888 122.820 -0.019 0.000 2.612 228 A HA 0.342 4.664 4.320 0.003 0.000 0.293 228 A C -0.666 176.865 177.584 -0.089 0.000 1.075 228 A CA -0.637 51.366 52.037 -0.056 0.000 0.680 228 A CB 1.519 20.475 19.000 -0.074 0.000 1.279 228 A HN -0.266 nan 8.150 nan 0.000 0.411 229 D N -0.464 119.843 120.400 -0.155 0.000 2.366 229 D HA 0.271 4.913 4.640 0.003 0.000 0.205 229 D C 0.065 176.090 176.300 -0.459 0.000 1.022 229 D CA 1.136 54.956 54.000 -0.300 0.000 0.868 229 D CB 0.878 41.445 40.800 -0.389 0.000 0.953 229 D HN 0.256 nan 8.370 nan 0.000 0.514 230 V N 1.434 121.133 119.914 -0.359 0.000 2.841 230 V HA 0.440 4.562 4.120 0.003 0.000 0.310 230 V C -0.605 175.403 176.094 -0.143 0.000 1.090 230 V CA -0.697 61.391 62.300 -0.354 0.000 0.930 230 V CB 2.753 34.238 31.823 -0.563 0.000 1.014 230 V HN -0.090 nan 8.190 nan 0.000 0.425 231 M N 3.481 123.020 119.600 -0.102 0.000 2.327 231 M HA 0.504 4.986 4.480 0.003 0.000 0.298 231 M C -1.001 175.289 176.300 -0.017 0.000 1.065 231 M CA -0.581 54.702 55.300 -0.029 0.000 0.916 231 M CB 2.040 34.644 32.600 0.007 0.000 1.630 231 M HN 0.358 nan 8.290 nan 0.000 0.442 232 V N 2.924 122.846 119.914 0.014 0.000 2.334 232 V HA 0.671 4.793 4.120 0.003 0.000 0.267 232 V C 0.225 176.325 176.094 0.010 0.000 1.040 232 V CA -0.473 61.833 62.300 0.010 0.000 0.866 232 V CB 0.649 32.490 31.823 0.030 0.000 1.019 232 V HN 0.916 nan 8.190 nan 0.000 0.468 233 A N 3.995 126.809 122.820 -0.010 0.000 2.365 233 A HA 1.049 5.371 4.320 0.003 0.000 0.318 233 A C 0.261 177.827 177.584 -0.031 0.000 1.091 233 A CA 0.136 52.171 52.037 -0.004 0.000 0.763 233 A CB 1.977 20.972 19.000 -0.010 0.000 1.248 233 A HN 1.272 nan 8.150 nan 0.000 0.442 234 G N -0.537 108.250 108.800 -0.022 0.000 2.360 234 G HA2 0.624 4.586 3.960 0.003 0.000 0.276 234 G HA3 0.624 4.586 3.960 0.003 0.000 0.276 234 G C -0.400 174.476 174.900 -0.039 0.000 1.256 234 G CA 0.343 45.412 45.100 -0.052 0.000 0.890 234 G HN 1.865 nan 8.290 nan 0.000 0.486 235 G N -1.591 107.171 108.800 -0.063 0.000 2.690 235 G HA2 0.755 4.717 3.960 0.003 0.000 0.293 235 G HA3 0.755 4.717 3.960 0.003 0.000 0.293 235 G C -1.310 173.546 174.900 -0.073 0.000 1.399 235 G CA 0.557 45.625 45.100 -0.054 0.000 0.890 235 G HN 1.251 nan 8.290 nan 0.000 0.485 236 T N -0.193 114.325 114.554 -0.060 0.000 2.916 236 T HA 0.670 5.022 4.350 0.003 0.000 0.305 236 T C -2.143 172.523 174.700 -0.058 0.000 1.119 236 T CA -0.562 61.496 62.100 -0.070 0.000 1.008 236 T CB 2.163 70.994 68.868 -0.062 0.000 1.129 236 T HN 0.436 nan 8.240 nan 0.000 0.480 237 D N 1.098 121.458 120.400 -0.066 0.000 2.769 237 D HA 0.448 5.090 4.640 0.003 0.000 0.219 237 D C -1.611 174.659 176.300 -0.048 0.000 1.245 237 D CA -0.234 53.736 54.000 -0.050 0.000 0.801 237 D CB 2.210 42.971 40.800 -0.065 0.000 1.598 237 D HN 0.452 nan 8.370 nan 0.000 0.485 238 S N 1.109 116.799 115.700 -0.017 0.000 2.397 238 S HA 0.342 4.814 4.470 0.003 0.000 0.190 238 S C -0.260 174.362 174.600 0.038 0.000 1.100 238 S CA -0.503 57.701 58.200 0.005 0.000 1.150 238 S CB -0.628 62.584 63.200 0.020 0.000 1.302 238 S HN 0.597 nan 8.310 nan 0.000 0.417 239 C N 2.364 121.685 119.300 0.034 0.000 3.395 239 C HA 0.536 4.998 4.460 0.003 0.000 0.264 239 C C 0.197 175.239 174.990 0.087 0.000 2.141 239 C CA -0.742 58.318 59.018 0.070 0.000 1.689 239 C CB -2.039 25.748 27.740 0.077 0.000 3.416 239 C HN 0.715 nan 8.230 nan 0.000 0.432 240 I N 3.987 124.599 120.570 0.069 0.000 2.505 240 I HA 0.368 4.540 4.170 0.003 0.000 0.287 240 I C 0.618 176.862 176.117 0.212 0.000 1.104 240 I CA 1.391 62.740 61.300 0.083 0.000 1.387 240 I CB 0.392 38.358 38.000 -0.056 0.000 1.404 240 I HN 0.721 nan 8.210 nan 0.000 0.528 241 S N 5.555 121.403 115.700 0.246 0.000 2.588 241 S HA 0.478 4.950 4.470 0.003 0.000 0.269 241 S C -2.451 172.300 174.600 0.252 0.000 1.157 241 S CA -1.246 57.104 58.200 0.249 0.000 0.824 241 S CB 2.048 65.331 63.200 0.139 0.000 1.126 241 S HN 0.178 nan 8.310 nan 0.000 0.464 242 P HA -0.102 nan 4.420 nan 0.000 0.215 242 P C 1.682 179.020 177.300 0.064 0.000 1.157 242 P CA 0.790 63.846 63.100 -0.074 0.000 0.874 242 P CB -0.003 31.512 31.700 -0.309 0.000 0.790 243 L N -0.693 120.560 121.223 0.051 0.000 2.017 243 L HA -0.131 4.211 4.340 0.003 0.000 0.208 243 L C 2.455 179.389 176.870 0.108 0.000 1.073 243 L CA 2.108 56.987 54.840 0.065 0.000 0.745 243 L CB -1.643 40.447 42.059 0.051 0.000 0.894 243 L HN -0.077 nan 8.230 nan 0.000 0.432 244 S N -1.085 114.706 115.700 0.152 0.000 2.356 244 S HA -0.142 4.330 4.470 0.003 0.000 0.223 244 S C 2.061 176.851 174.600 0.316 0.000 1.032 244 S CA 1.461 59.800 58.200 0.232 0.000 1.005 244 S CB -0.375 62.974 63.200 0.247 0.000 0.867 244 S HN 0.475 nan 8.310 nan 0.000 0.449 245 L N 1.042 122.416 121.223 0.252 0.000 2.083 245 L HA -0.060 4.282 4.340 0.003 0.000 0.209 245 L C 2.943 179.924 176.870 0.185 0.000 1.083 245 L CA 1.148 56.119 54.840 0.218 0.000 0.752 245 L CB -0.692 41.493 42.059 0.210 0.000 0.899 245 L HN 0.423 nan 8.230 nan 0.000 0.433 246 A N 0.329 123.240 122.820 0.151 0.000 1.877 246 A HA -0.138 4.184 4.320 0.003 0.000 0.216 246 A C 2.409 180.040 177.584 0.079 0.000 1.186 246 A CA 1.784 53.880 52.037 0.098 0.000 0.620 246 A CB -1.273 17.768 19.000 0.068 0.000 0.822 246 A HN 0.436 nan 8.150 nan 0.000 0.443 247 G N -1.315 107.527 108.800 0.069 0.000 2.421 247 G HA2 -0.174 3.788 3.960 0.003 0.000 0.216 247 G HA3 -0.174 3.788 3.960 0.003 0.000 0.216 247 G C 1.373 176.244 174.900 -0.048 0.000 1.171 247 G CA 1.132 46.217 45.100 -0.026 0.000 0.775 247 G HN 0.426 nan 8.290 nan 0.000 0.543 248 F N 1.449 121.430 119.950 0.052 0.000 2.206 248 F HA 0.023 4.552 4.527 0.003 0.000 0.298 248 F C 3.087 178.878 175.800 -0.015 0.000 1.090 248 F CA 1.303 59.327 58.000 0.041 0.000 1.323 248 F CB -0.148 38.832 39.000 -0.034 0.000 1.028 248 F HN 0.068 nan 8.300 nan 0.000 0.492 249 S N -0.323 115.461 115.700 0.141 0.000 2.382 249 S HA -0.144 4.328 4.470 0.003 0.000 0.228 249 S C 2.146 176.773 174.600 0.046 0.000 1.027 249 S CA 0.822 59.057 58.200 0.058 0.000 0.991 249 S CB -0.166 63.062 63.200 0.046 0.000 0.823 249 S HN 0.192 nan 8.310 nan 0.000 0.469 250 R N 1.438 121.964 120.500 0.042 0.000 2.115 250 R HA 0.152 4.493 4.340 0.003 0.000 0.230 250 R C 2.084 178.395 176.300 0.018 0.000 1.111 250 R CA 1.048 57.160 56.100 0.022 0.000 0.976 250 R CB -1.010 29.295 30.300 0.009 0.000 0.870 250 R HN 0.417 nan 8.270 nan 0.000 0.445 251 A N 0.721 123.559 122.820 0.030 0.000 2.235 251 A HA -0.003 4.319 4.320 0.003 0.000 0.208 251 A C 0.314 177.936 177.584 0.062 0.000 1.172 251 A CA 0.080 52.138 52.037 0.034 0.000 0.786 251 A CB -0.201 18.835 19.000 0.059 0.000 0.804 251 A HN 0.342 nan 8.150 nan 0.000 0.479 252 R N -3.005 117.529 120.500 0.057 0.000 3.531 252 R HA -0.246 4.096 4.340 0.003 0.000 0.280 252 R C 0.923 177.258 176.300 0.059 0.000 1.130 252 R CA 0.497 56.622 56.100 0.042 0.000 0.757 252 R CB -2.381 27.936 30.300 0.028 0.000 1.218 252 R HN 0.662 nan 8.270 nan 0.000 0.454 253 A N 0.141 123.007 122.820 0.077 0.000 2.115 253 A HA 0.254 4.576 4.320 0.003 0.000 0.211 253 A C 0.949 178.351 177.584 -0.303 0.000 1.169 253 A CA 0.277 52.349 52.037 0.058 0.000 0.787 253 A CB 0.475 19.680 19.000 0.341 0.000 0.858 253 A HN 0.185 nan 8.150 nan 0.000 0.474 254 L N 0.024 121.063 121.223 -0.308 0.000 2.344 254 L HA 0.376 4.717 4.340 0.003 0.000 0.272 254 L C 0.640 177.394 176.870 -0.195 0.000 1.035 254 L CA -0.628 53.961 54.840 -0.417 0.000 0.807 254 L CB 1.671 43.535 42.059 -0.326 0.000 1.237 254 L HN 0.164 nan 8.230 nan 0.000 0.442 255 S N -0.011 115.589 115.700 -0.167 0.000 2.549 255 S HA 0.036 4.508 4.470 0.003 0.000 0.286 255 S C 1.030 175.583 174.600 -0.077 0.000 1.314 255 S CA -0.168 57.977 58.200 -0.091 0.000 1.062 255 S CB 0.574 63.728 63.200 -0.077 0.000 0.865 255 S HN 0.762 nan 8.310 nan 0.000 0.498 256 T N 1.629 116.152 114.554 -0.051 0.000 3.086 256 T HA 0.168 4.520 4.350 0.003 0.000 0.250 256 T C 0.549 175.229 174.700 -0.034 0.000 1.074 256 T CA -0.460 61.618 62.100 -0.037 0.000 0.988 256 T CB -0.362 68.492 68.868 -0.022 0.000 0.988 256 T HN 0.514 nan 8.240 nan 0.000 0.530 257 N N 2.780 121.455 118.700 -0.042 0.000 2.468 257 N HA 0.056 4.798 4.740 0.003 0.000 0.265 257 N C 1.240 176.725 175.510 -0.041 0.000 1.199 257 N CA 0.326 53.352 53.050 -0.041 0.000 0.928 257 N CB 1.379 39.835 38.487 -0.052 0.000 1.059 257 N HN 0.398 nan 8.380 nan 0.000 0.467 258 S N 1.293 116.974 115.700 -0.031 0.000 2.562 258 S HA -0.042 4.430 4.470 0.003 0.000 0.221 258 S C 0.377 174.959 174.600 -0.031 0.000 0.975 258 S CA -0.108 58.075 58.200 -0.028 0.000 0.918 258 S CB 0.104 63.293 63.200 -0.017 0.000 0.772 258 S HN 0.569 nan 8.310 nan 0.000 0.531 259 D N 3.133 123.512 120.400 -0.035 0.000 2.380 259 D HA 0.281 4.923 4.640 0.003 0.000 0.230 259 D C -1.528 174.745 176.300 -0.045 0.000 1.154 259 D CA -2.414 51.564 54.000 -0.036 0.000 0.859 259 D CB 1.757 42.534 40.800 -0.038 0.000 1.045 259 D HN 0.070 nan 8.370 nan 0.000 0.495 260 P HA -0.098 nan 4.420 nan 0.000 0.223 260 P C 0.789 178.061 177.300 -0.046 0.000 1.151 260 P CA 0.719 63.794 63.100 -0.042 0.000 0.787 260 P CB 0.499 32.181 31.700 -0.029 0.000 0.788 261 K N -0.478 119.895 120.400 -0.045 0.000 2.217 261 K HA 0.046 4.368 4.320 0.003 0.000 0.202 261 K C 1.866 178.425 176.600 -0.068 0.000 1.051 261 K CA 0.870 57.127 56.287 -0.049 0.000 0.952 261 K CB -0.120 32.355 32.500 -0.041 0.000 0.736 261 K HN 0.229 nan 8.250 nan 0.000 0.453 262 L N -1.004 120.173 121.223 -0.078 0.000 2.781 262 L HA 0.223 4.565 4.340 0.003 0.000 0.245 262 L C 2.035 178.831 176.870 -0.122 0.000 1.118 262 L CA -0.058 54.715 54.840 -0.112 0.000 0.918 262 L CB 0.156 42.149 42.059 -0.111 0.000 1.246 262 L HN 0.035 nan 8.230 nan 0.000 0.526 263 A N -0.219 122.546 122.820 -0.092 0.000 1.883 263 A HA -0.229 4.093 4.320 0.003 0.000 0.217 263 A C 1.314 178.843 177.584 -0.093 0.000 1.186 263 A CA 1.207 53.193 52.037 -0.086 0.000 0.624 263 A CB -0.662 18.295 19.000 -0.071 0.000 0.822 263 A HN 0.459 nan 8.150 nan 0.000 0.444 264 C N 1.740 120.985 119.300 -0.092 0.000 2.265 264 C HA 0.675 5.137 4.460 0.003 0.000 0.332 264 C C 0.354 175.270 174.990 -0.124 0.000 1.248 264 C CA -0.752 58.211 59.018 -0.093 0.000 1.727 264 C CB -0.910 26.786 27.740 -0.073 0.000 2.348 264 C HN 0.513 nan 8.230 nan 0.000 0.519 265 R N 4.554 124.967 120.500 -0.145 0.000 2.818 265 R HA 0.320 4.662 4.340 0.003 0.000 0.258 265 R C -3.190 173.012 176.300 -0.164 0.000 1.797 265 R CA -1.339 54.667 56.100 -0.157 0.000 1.532 265 R CB 0.168 30.310 30.300 -0.262 0.000 1.413 265 R HN 0.364 nan 8.270 nan 0.000 0.622 266 P HA 0.004 nan 4.420 nan 0.000 0.265 266 P C -0.257 176.733 177.300 -0.517 0.000 1.187 266 P CA 0.205 62.993 63.100 -0.519 0.000 0.766 266 P CB 0.044 31.349 31.700 -0.658 0.000 0.820 267 F N -2.144 117.537 119.950 -0.448 0.000 2.825 267 F HA -0.261 4.268 4.527 0.003 0.000 0.358 267 F C 1.008 176.308 175.800 -0.833 0.000 0.639 267 F CA 0.912 58.334 58.000 -0.963 0.000 1.153 267 F CB -2.443 35.908 39.000 -1.081 0.000 1.610 267 F HN 0.507 nan 8.300 nan 0.000 0.305 268 H N 2.897 121.745 119.070 -0.369 0.000 2.582 268 H HA 0.176 4.734 4.556 0.003 0.000 0.345 268 H C -1.748 173.468 175.328 -0.186 0.000 1.104 268 H CA -1.365 54.549 56.048 -0.224 0.000 1.390 268 H CB 1.677 31.355 29.762 -0.140 0.000 1.461 268 H HN -0.234 nan 8.280 nan 0.000 0.551 269 P HA -0.107 nan 4.420 nan 0.000 0.218 269 P C 0.451 177.793 177.300 0.071 0.000 1.146 269 P CA 1.663 64.697 63.100 -0.109 0.000 0.813 269 P CB 0.248 31.848 31.700 -0.168 0.000 0.778 270 K N -0.520 120.074 120.400 0.323 0.000 2.387 270 K HA 0.074 4.396 4.320 0.003 0.000 0.198 270 K C 0.661 177.315 176.600 0.091 0.000 1.022 270 K CA -0.273 56.135 56.287 0.201 0.000 1.128 270 K CB 0.004 32.620 32.500 0.193 0.000 0.853 270 K HN 0.268 nan 8.250 nan 0.000 0.523 271 R N 1.911 122.456 120.500 0.076 0.000 2.638 271 R HA -0.057 4.285 4.340 0.003 0.000 0.268 271 R C -0.495 175.805 176.300 -0.001 0.000 1.006 271 R CA 0.847 56.942 56.100 -0.008 0.000 1.088 271 R CB 0.061 30.328 30.300 -0.055 0.000 0.950 271 R HN 0.017 nan 8.270 nan 0.000 0.419 272 D N 0.331 120.723 120.400 -0.014 0.000 2.672 272 D HA 0.233 4.875 4.640 0.003 0.000 0.287 272 D C 0.163 176.456 176.300 -0.011 0.000 1.559 272 D CA 0.101 54.098 54.000 -0.006 0.000 0.796 272 D CB 0.564 41.358 40.800 -0.011 0.000 1.181 272 D HN 0.942 nan 8.370 nan 0.000 0.458 273 G N 0.044 108.845 108.800 0.001 0.000 2.357 273 G HA2 0.293 4.255 3.960 0.003 0.000 0.643 273 G HA3 0.293 4.255 3.960 0.003 0.000 0.643 273 G C -0.607 174.309 174.900 0.027 0.000 1.358 273 G CA -0.745 44.357 45.100 0.004 0.000 0.986 273 G HN 0.409 nan 8.290 nan 0.000 0.620 274 F N -0.509 119.440 119.950 -0.002 0.000 2.368 274 F HA 0.835 5.364 4.527 0.004 0.000 0.315 274 F C 0.140 175.901 175.800 -0.065 0.000 1.145 274 F CA -1.269 56.711 58.000 -0.033 0.000 1.095 274 F CB 1.350 40.369 39.000 0.031 0.000 1.286 274 F HN 0.395 nan 8.300 nan 0.000 0.530 275 V N 3.664 123.737 119.914 0.264 0.000 2.409 275 V HA 0.217 4.339 4.120 0.003 0.000 0.291 275 V C 0.023 176.208 176.094 0.153 0.000 1.020 275 V CA -0.847 61.495 62.300 0.071 0.000 0.848 275 V CB 1.424 33.241 31.823 -0.010 0.000 0.990 275 V HN 0.932 nan 8.190 nan 0.000 0.430 276 M N 4.305 123.908 119.600 0.005 0.000 2.217 276 M HA 0.494 4.976 4.480 0.003 0.000 0.352 276 M C 0.527 176.739 176.300 -0.147 0.000 1.376 276 M CA 0.363 55.630 55.300 -0.055 0.000 1.107 276 M CB 0.392 32.875 32.600 -0.195 0.000 1.723 276 M HN 0.817 nan 8.290 nan 0.000 0.461 277 G N 3.851 112.570 108.800 -0.135 0.000 2.932 277 G HA2 0.722 4.684 3.960 0.003 0.000 0.283 277 G HA3 0.722 4.684 3.960 0.003 0.000 0.283 277 G C -1.671 173.133 174.900 -0.160 0.000 1.336 277 G CA -0.655 44.350 45.100 -0.159 0.000 1.056 277 G HN 0.791 nan 8.290 nan 0.000 0.522 278 E N -2.100 118.020 120.200 -0.132 0.000 2.413 278 E HA 0.735 5.087 4.350 0.003 0.000 0.277 278 E C -0.325 176.215 176.600 -0.099 0.000 0.958 278 E CA -0.854 55.484 56.400 -0.103 0.000 0.779 278 E CB 2.181 31.841 29.700 -0.067 0.000 1.278 278 E HN 1.494 nan 8.360 nan 0.000 0.456 279 G N -0.328 108.402 108.800 -0.115 0.000 2.359 279 G HA2 0.505 4.467 3.960 0.003 0.000 0.293 279 G HA3 0.505 4.467 3.960 0.003 0.000 0.293 279 G C -1.799 173.003 174.900 -0.164 0.000 1.300 279 G CA -0.342 44.663 45.100 -0.158 0.000 0.888 279 G HN 0.983 nan 8.290 nan 0.000 0.541 280 A N -1.230 121.472 122.820 -0.197 0.000 2.515 280 A HA 1.083 5.405 4.320 0.003 0.000 0.298 280 A C -0.250 177.227 177.584 -0.179 0.000 1.059 280 A CA 0.371 52.303 52.037 -0.174 0.000 0.698 280 A CB 1.601 20.492 19.000 -0.181 0.000 1.289 280 A HN 2.548 nan 8.150 nan 0.000 0.404 281 A N 1.125 123.847 122.820 -0.163 0.000 2.381 281 A HA 0.719 5.041 4.320 0.003 0.000 0.299 281 A C -1.224 176.273 177.584 -0.146 0.000 1.049 281 A CA -0.442 51.489 52.037 -0.176 0.000 0.715 281 A CB 1.355 20.219 19.000 -0.227 0.000 1.222 281 A HN 1.403 nan 8.150 nan 0.000 0.428 282 V N 2.900 122.733 119.914 -0.135 0.000 2.656 282 V HA 0.610 4.732 4.120 0.003 0.000 0.307 282 V C -0.991 175.038 176.094 -0.107 0.000 1.051 282 V CA -0.462 61.775 62.300 -0.105 0.000 0.893 282 V CB 1.665 33.434 31.823 -0.089 0.000 0.999 282 V HN 0.781 nan 8.190 nan 0.000 0.426 283 L N 4.248 125.414 121.223 -0.094 0.000 2.386 283 L HA 0.618 4.960 4.340 0.003 0.000 0.271 283 L C -0.336 176.496 176.870 -0.064 0.000 0.993 283 L CA -0.458 54.327 54.840 -0.092 0.000 0.819 283 L CB 2.156 44.147 42.059 -0.114 0.000 1.294 283 L HN 0.375 nan 8.230 nan 0.000 0.414 284 V N 4.338 124.221 119.914 -0.052 0.000 2.368 284 V HA 0.337 4.459 4.120 0.003 0.000 0.266 284 V C -0.085 175.962 176.094 -0.079 0.000 1.045 284 V CA -0.392 61.875 62.300 -0.056 0.000 0.899 284 V CB 1.028 32.825 31.823 -0.043 0.000 1.006 284 V HN 0.401 nan 8.190 nan 0.000 0.470 285 L N 4.854 126.025 121.223 -0.086 0.000 2.343 285 L HA 0.646 4.988 4.340 0.003 0.000 0.275 285 L C 0.033 176.816 176.870 -0.145 0.000 1.056 285 L CA 0.311 55.096 54.840 -0.091 0.000 0.804 285 L CB 1.407 43.439 42.059 -0.046 0.000 1.203 285 L HN 0.748 nan 8.230 nan 0.000 0.440 286 E N 1.287 121.398 120.200 -0.149 0.000 2.352 286 E HA 0.175 4.527 4.350 0.003 0.000 0.280 286 E C -1.295 175.226 176.600 -0.132 0.000 0.930 286 E CA -0.707 55.561 56.400 -0.221 0.000 0.765 286 E CB 1.448 30.995 29.700 -0.254 0.000 1.219 286 E HN 0.519 nan 8.360 nan 0.000 0.434 287 E N 3.032 123.146 120.200 -0.142 0.000 2.442 287 E HA -0.107 4.245 4.350 0.003 0.000 0.262 287 E C -0.052 176.604 176.600 0.094 0.000 1.004 287 E CA 0.256 56.642 56.400 -0.023 0.000 0.928 287 E CB 0.458 30.136 29.700 -0.037 0.000 0.937 287 E HN 0.608 nan 8.360 nan 0.000 0.446 288 Y N 4.155 124.448 120.300 -0.012 0.000 2.114 288 Y HA -0.221 4.331 4.550 0.004 0.000 0.284 288 Y C 2.203 178.106 175.900 0.004 0.000 1.143 288 Y CA 2.365 60.464 58.100 -0.002 0.000 1.135 288 Y CB -0.307 38.158 38.460 0.009 0.000 0.980 288 Y HN 0.785 nan 8.280 nan 0.000 0.499 289 E N -1.349 118.942 120.200 0.151 0.000 2.085 289 E HA -0.301 4.051 4.350 0.003 0.000 0.194 289 E C 2.400 179.037 176.600 0.062 0.000 0.994 289 E CA 1.298 57.718 56.400 0.035 0.000 0.801 289 E CB -0.533 29.170 29.700 0.005 0.000 0.743 289 E HN 0.555 nan 8.360 nan 0.000 0.453 290 H N 0.047 119.108 119.070 -0.016 0.000 2.319 290 H HA -0.142 4.417 4.556 0.004 0.000 0.299 290 H C 1.844 177.126 175.328 -0.075 0.000 1.092 290 H CA 1.933 57.941 56.048 -0.067 0.000 1.302 290 H CB -0.088 29.593 29.762 -0.135 0.000 1.373 290 H HN 0.310 nan 8.280 nan 0.000 0.497 291 A N 0.381 123.269 122.820 0.113 0.000 1.877 291 A HA -0.095 4.227 4.320 0.003 0.000 0.216 291 A C 2.924 180.529 177.584 0.035 0.000 1.186 291 A CA 1.622 53.691 52.037 0.052 0.000 0.620 291 A CB -0.905 18.131 19.000 0.061 0.000 0.822 291 A HN 0.302 nan 8.150 nan 0.000 0.443 292 V N 0.085 120.043 119.914 0.075 0.000 2.343 292 V HA -0.241 3.881 4.120 0.003 0.000 0.247 292 V C 2.691 178.777 176.094 -0.013 0.000 1.051 292 V CA 1.954 64.276 62.300 0.036 0.000 1.036 292 V CB -0.714 31.107 31.823 -0.002 0.000 0.654 292 V HN 0.537 nan 8.190 nan 0.000 0.451 293 Q N 0.473 120.248 119.800 -0.041 0.000 2.170 293 Q HA -0.169 4.173 4.340 0.003 0.000 0.203 293 Q C 2.257 178.223 176.000 -0.057 0.000 0.976 293 Q CA 1.549 57.317 55.803 -0.058 0.000 0.858 293 Q CB -0.295 28.393 28.738 -0.084 0.000 0.907 293 Q HN 0.801 nan 8.270 nan 0.000 0.433 294 R N -0.264 120.194 120.500 -0.070 0.000 2.359 294 R HA 0.240 4.582 4.340 0.003 0.000 0.231 294 R C -0.020 176.279 176.300 -0.002 0.000 0.913 294 R CA -0.212 55.870 56.100 -0.030 0.000 1.075 294 R CB 0.189 30.477 30.300 -0.020 0.000 1.087 294 R HN -0.063 nan 8.270 nan 0.000 0.515 295 R N 0.132 120.627 120.500 -0.007 0.000 3.422 295 R HA -0.172 4.170 4.340 0.003 0.000 0.267 295 R C -0.328 175.970 176.300 -0.004 0.000 1.074 295 R CA 0.407 56.506 56.100 -0.001 0.000 0.718 295 R CB -2.101 28.200 30.300 0.002 0.000 1.157 295 R HN 0.528 nan 8.270 nan 0.000 0.440 296 A N 1.497 124.311 122.820 -0.010 0.000 2.466 296 A HA 0.206 4.528 4.320 0.003 0.000 0.238 296 A C 0.780 178.321 177.584 -0.071 0.000 1.074 296 A CA -0.081 51.936 52.037 -0.034 0.000 0.774 296 A CB 0.259 19.235 19.000 -0.041 0.000 1.015 296 A HN 0.430 nan 8.150 nan 0.000 0.498 297 R N 1.755 122.175 120.500 -0.134 0.000 2.298 297 R HA 0.420 4.762 4.340 0.003 0.000 0.310 297 R C -1.248 174.851 176.300 -0.336 0.000 1.068 297 R CA -0.047 55.917 56.100 -0.226 0.000 0.957 297 R CB 0.053 30.164 30.300 -0.315 0.000 1.003 297 R HN 0.597 nan 8.270 nan 0.000 0.454 298 I N 5.659 126.073 120.570 -0.260 0.000 2.339 298 I HA 0.139 4.311 4.170 0.003 0.000 0.290 298 I C -0.050 175.900 176.117 -0.279 0.000 0.994 298 I CA -0.741 60.413 61.300 -0.244 0.000 1.191 298 I CB 1.483 39.413 38.000 -0.117 0.000 1.343 298 I HN 0.739 nan 8.210 nan 0.000 0.458 299 Y N 4.927 125.054 120.300 -0.289 0.000 2.269 299 Y HA 0.328 4.880 4.550 0.004 0.000 0.294 299 Y C 1.196 177.003 175.900 -0.154 0.000 1.120 299 Y CA 0.559 58.408 58.100 -0.418 0.000 1.159 299 Y CB 0.150 38.295 38.460 -0.525 0.000 1.024 299 Y HN 0.654 nan 8.280 nan 0.000 0.532 300 A N -0.769 122.054 122.820 0.006 0.000 2.566 300 A HA 0.453 4.775 4.320 0.003 0.000 0.290 300 A C -1.488 176.031 177.584 -0.110 0.000 1.071 300 A CA -0.847 51.172 52.037 -0.030 0.000 0.658 300 A CB 0.829 19.814 19.000 -0.024 0.000 1.285 300 A HN 0.051 nan 8.150 nan 0.000 0.427 301 E N 0.358 120.491 120.200 -0.113 0.000 2.179 301 E HA 0.579 4.931 4.350 0.003 0.000 0.275 301 E C -1.255 175.254 176.600 -0.153 0.000 0.945 301 E CA -0.610 55.693 56.400 -0.162 0.000 0.792 301 E CB 1.626 31.238 29.700 -0.148 0.000 1.125 301 E HN 0.461 nan 8.360 nan 0.000 0.397 302 V N 6.683 126.467 119.914 -0.218 0.000 2.408 302 V HA 0.069 4.191 4.120 0.003 0.000 0.267 302 V C 1.047 176.849 176.094 -0.486 0.000 1.047 302 V CA 0.073 62.127 62.300 -0.410 0.000 0.937 302 V CB 0.858 32.319 31.823 -0.605 0.000 0.999 302 V HN 0.807 nan 8.190 nan 0.000 0.472 303 L N 3.859 124.872 121.223 -0.350 0.000 2.357 303 L HA 0.474 4.816 4.340 0.003 0.000 0.211 303 L C 1.087 177.882 176.870 -0.125 0.000 1.075 303 L CA 0.778 55.527 54.840 -0.150 0.000 0.830 303 L CB 0.207 42.248 42.059 -0.029 0.000 0.996 303 L HN 0.780 nan 8.230 nan 0.000 0.467 304 G N -1.653 106.996 108.800 -0.252 0.000 2.698 304 G HA2 0.438 4.400 3.960 0.003 0.000 0.293 304 G HA3 0.438 4.400 3.960 0.003 0.000 0.293 304 G C -2.515 172.433 174.900 0.080 0.000 1.437 304 G CA -0.208 44.910 45.100 0.030 0.000 0.852 304 G HN -0.212 nan 8.290 nan 0.000 0.499 305 Y N 0.317 120.682 120.300 0.108 0.000 2.401 305 Y HA 0.712 5.264 4.550 0.003 0.000 0.330 305 Y C -0.194 175.766 175.900 0.100 0.000 1.071 305 Y CA -1.115 57.049 58.100 0.107 0.000 1.049 305 Y CB 1.936 40.547 38.460 0.251 0.000 1.239 305 Y HN 0.954 nan 8.280 nan 0.000 0.437 306 G N 5.170 113.997 108.800 0.044 0.000 2.542 306 G HA2 0.696 4.658 3.960 0.003 0.000 0.311 306 G HA3 0.696 4.658 3.960 0.003 0.000 0.311 306 G C -2.388 172.423 174.900 -0.148 0.000 1.298 306 G CA -0.889 44.158 45.100 -0.088 0.000 0.973 306 G HN 0.516 nan 8.290 nan 0.000 0.487 307 L N 1.063 122.191 121.223 -0.160 0.000 2.409 307 L HA 0.830 5.172 4.340 0.003 0.000 0.262 307 L C 0.216 177.071 176.870 -0.024 0.000 0.992 307 L CA -0.624 54.169 54.840 -0.078 0.000 0.817 307 L CB 2.457 44.433 42.059 -0.139 0.000 1.350 307 L HN 0.859 nan 8.230 nan 0.000 0.411 308 S N -0.144 115.573 115.700 0.029 0.000 2.643 308 S HA 0.945 5.417 4.470 0.003 0.000 0.270 308 S C -0.859 173.762 174.600 0.034 0.000 1.166 308 S CA -0.343 57.865 58.200 0.013 0.000 0.815 308 S CB 1.665 64.864 63.200 -0.001 0.000 1.139 308 S HN 0.912 nan 8.310 nan 0.000 0.472 309 G N -0.122 108.685 108.800 0.013 0.000 2.566 309 G HA2 0.538 4.500 3.960 0.003 0.000 0.311 309 G HA3 0.538 4.500 3.960 0.003 0.000 0.311 309 G C -0.407 174.488 174.900 -0.007 0.000 1.322 309 G CA -0.685 44.425 45.100 0.017 0.000 0.969 309 G HN 0.577 nan 8.290 nan 0.000 0.490 310 D N 1.966 122.358 120.400 -0.012 0.000 2.178 310 D HA -0.019 4.623 4.640 0.003 0.000 0.201 310 D C 2.203 178.495 176.300 -0.014 0.000 0.980 310 D CA 1.648 55.631 54.000 -0.029 0.000 0.842 310 D CB -0.019 40.765 40.800 -0.027 0.000 0.948 310 D HN 0.959 nan 8.370 nan 0.000 0.472 311 A N -0.823 121.997 122.820 -0.001 0.000 2.745 311 A HA -0.118 4.204 4.320 0.003 0.000 0.296 311 A C 1.478 179.065 177.584 0.005 0.000 1.500 311 A CA 1.380 53.418 52.037 0.000 0.000 0.766 311 A CB -1.716 17.280 19.000 -0.006 0.000 1.030 311 A HN 0.429 nan 8.150 nan 0.000 0.489 312 G N -1.858 106.954 108.800 0.019 0.000 2.621 312 G HA2 0.451 4.413 3.960 0.003 0.000 0.209 312 G HA3 0.451 4.413 3.960 0.003 0.000 0.209 312 G C 0.308 175.260 174.900 0.087 0.000 1.379 312 G CA 0.766 45.892 45.100 0.042 0.000 0.766 312 G HN 0.993 nan 8.290 nan 0.000 0.599 313 H N -0.364 118.691 119.070 -0.026 0.000 2.961 313 H HA 0.273 4.831 4.556 0.003 0.000 0.371 313 H C 1.181 176.482 175.328 -0.045 0.000 1.190 313 H CA -0.390 55.636 56.048 -0.037 0.000 1.138 313 H CB 2.371 32.107 29.762 -0.042 0.000 1.816 313 H HN 0.157 nan 8.280 nan 0.000 0.551 314 I N 0.319 120.658 120.570 -0.386 0.000 2.676 314 I HA -0.048 4.124 4.170 0.003 0.000 0.259 314 I C 1.369 177.392 176.117 -0.157 0.000 1.194 314 I CA 1.683 62.858 61.300 -0.207 0.000 1.473 314 I CB -0.123 37.716 38.000 -0.268 0.000 1.096 314 I HN 0.501 nan 8.210 nan 0.000 0.443 315 T N -2.203 112.340 114.554 -0.017 0.000 3.048 315 T HA 0.517 4.869 4.350 0.003 0.000 0.254 315 T C 0.862 175.571 174.700 0.015 0.000 0.942 315 T CA 0.267 62.172 62.100 -0.324 0.000 0.931 315 T CB -0.256 68.193 68.868 -0.697 0.000 1.220 315 T HN 0.295 nan 8.240 nan 0.000 0.503 316 A N 3.907 126.812 122.820 0.142 0.000 2.354 316 A HA 0.715 5.037 4.320 0.003 0.000 0.269 316 A C -2.377 175.224 177.584 0.028 0.000 1.109 316 A CA -1.520 50.486 52.037 -0.053 0.000 0.800 316 A CB 0.167 18.922 19.000 -0.409 0.000 1.045 316 A HN 0.386 nan 8.150 nan 0.000 0.489 317 P HA 0.130 nan 4.420 nan 0.000 0.278 317 P C -0.722 176.557 177.300 -0.034 0.000 1.258 317 P CA -0.589 62.515 63.100 0.006 0.000 0.811 317 P CB 0.634 32.338 31.700 0.008 0.000 1.063 318 D N 1.973 122.334 120.400 -0.064 0.000 2.451 318 D HA -0.027 4.615 4.640 0.003 0.000 0.254 318 D C -1.052 175.209 176.300 -0.066 0.000 1.204 318 D CA -1.096 52.864 54.000 -0.067 0.000 0.896 318 D CB 0.709 41.453 40.800 -0.093 0.000 1.136 318 D HN 0.167 nan 8.370 nan 0.000 0.499 319 P HA -0.124 nan 4.420 nan 0.000 0.222 319 P C 0.873 178.155 177.300 -0.030 0.000 1.147 319 P CA 1.150 64.233 63.100 -0.029 0.000 0.790 319 P CB 0.151 31.838 31.700 -0.021 0.000 0.780 320 E N -0.193 119.974 120.200 -0.055 0.000 2.442 320 E HA 0.258 4.610 4.350 0.003 0.000 0.195 320 E C 1.520 178.024 176.600 -0.161 0.000 1.030 320 E CA 0.683 57.034 56.400 -0.081 0.000 0.869 320 E CB -1.320 28.324 29.700 -0.093 0.000 0.857 320 E HN 0.298 nan 8.360 nan 0.000 0.505 321 G N 0.656 109.369 108.800 -0.144 0.000 2.176 321 G HA2 -0.325 3.637 3.960 0.003 0.000 0.252 321 G HA3 -0.325 3.637 3.960 0.003 0.000 0.252 321 G C 0.960 175.729 174.900 -0.219 0.000 1.024 321 G CA 0.658 45.648 45.100 -0.184 0.000 0.755 321 G HN 0.384 nan 8.290 nan 0.000 0.507 322 E N 0.103 120.183 120.200 -0.200 0.000 2.110 322 E HA -0.104 4.248 4.350 0.003 0.000 0.193 322 E C 2.630 179.144 176.600 -0.143 0.000 0.988 322 E CA 1.769 58.062 56.400 -0.179 0.000 0.804 322 E CB -0.661 28.959 29.700 -0.134 0.000 0.745 322 E HN 0.609 nan 8.360 nan 0.000 0.458 323 G N 0.703 109.413 108.800 -0.152 0.000 2.402 323 G HA2 -0.192 3.770 3.960 0.003 0.000 0.216 323 G HA3 -0.192 3.770 3.960 0.003 0.000 0.216 323 G C 1.723 176.539 174.900 -0.140 0.000 1.162 323 G CA 1.161 46.183 45.100 -0.131 0.000 0.777 323 G HN 0.394 nan 8.290 nan 0.000 0.539 324 A N 0.645 123.312 122.820 -0.255 0.000 1.877 324 A HA 0.024 4.345 4.320 0.003 0.000 0.216 324 A C 2.385 179.965 177.584 -0.007 0.000 1.186 324 A CA 1.561 53.490 52.037 -0.180 0.000 0.620 324 A CB -0.525 18.263 19.000 -0.354 0.000 0.822 324 A HN 0.433 nan 8.150 nan 0.000 0.443 325 L N -0.569 120.617 121.223 -0.061 0.000 2.012 325 L HA -0.232 4.110 4.340 0.003 0.000 0.210 325 L C 2.718 179.566 176.870 -0.038 0.000 1.073 325 L CA 1.888 56.701 54.840 -0.045 0.000 0.748 325 L CB -0.272 41.729 42.059 -0.098 0.000 0.891 325 L HN 0.351 nan 8.230 nan 0.000 0.431 326 R N -1.304 119.168 120.500 -0.047 0.000 2.092 326 R HA -0.190 4.152 4.340 0.003 0.000 0.231 326 R C 2.463 178.756 176.300 -0.013 0.000 1.119 326 R CA 1.481 57.559 56.100 -0.036 0.000 0.970 326 R CB -1.007 29.268 30.300 -0.042 0.000 0.864 326 R HN 0.544 nan 8.270 nan 0.000 0.440 327 C N 0.812 120.122 119.300 0.016 0.000 2.432 327 C HA -0.054 4.408 4.460 0.003 0.000 0.277 327 C C 2.615 177.638 174.990 0.055 0.000 1.249 327 C CA 0.805 59.851 59.018 0.046 0.000 1.725 327 C CB -0.671 27.141 27.740 0.119 0.000 2.028 327 C HN 0.448 nan 8.230 nan 0.000 0.477 328 M N 0.799 120.445 119.600 0.076 0.000 2.086 328 M HA -0.100 4.382 4.480 0.003 0.000 0.261 328 M C 2.566 178.875 176.300 0.016 0.000 1.067 328 M CA 2.071 57.418 55.300 0.077 0.000 1.116 328 M CB -0.686 31.986 32.600 0.121 0.000 1.348 328 M HN 0.514 nan 8.290 nan 0.000 0.407 329 A N 0.491 123.293 122.820 -0.030 0.000 1.908 329 A HA -0.116 4.206 4.320 0.003 0.000 0.218 329 A C 2.353 179.919 177.584 -0.029 0.000 1.181 329 A CA 2.090 54.092 52.037 -0.058 0.000 0.627 329 A CB -0.944 18.013 19.000 -0.072 0.000 0.818 329 A HN 0.530 nan 8.150 nan 0.000 0.445 330 A N -0.350 122.460 122.820 -0.016 0.000 1.930 330 A HA 0.211 4.533 4.320 0.003 0.000 0.217 330 A C 2.480 180.070 177.584 0.010 0.000 1.175 330 A CA 1.913 53.941 52.037 -0.014 0.000 0.627 330 A CB -0.913 18.069 19.000 -0.030 0.000 0.815 330 A HN 1.040 nan 8.150 nan 0.000 0.443 331 A N -0.161 122.677 122.820 0.030 0.000 1.902 331 A HA -0.027 4.295 4.320 0.003 0.000 0.217 331 A C 2.159 179.776 177.584 0.054 0.000 1.181 331 A CA 1.440 53.514 52.037 0.063 0.000 0.623 331 A CB -0.578 18.468 19.000 0.077 0.000 0.818 331 A HN 0.466 nan 8.150 nan 0.000 0.443 332 L N -0.649 120.595 121.223 0.035 0.000 2.046 332 L HA -0.201 4.141 4.340 0.003 0.000 0.208 332 L C 2.665 179.547 176.870 0.020 0.000 1.077 332 L CA 1.958 56.815 54.840 0.027 0.000 0.747 332 L CB -0.420 41.637 42.059 -0.003 0.000 0.896 332 L HN 0.486 nan 8.230 nan 0.000 0.432 333 K N 0.158 120.563 120.400 0.007 0.000 2.057 333 K HA -0.255 4.067 4.320 0.003 0.000 0.207 333 K C 1.824 178.436 176.600 0.020 0.000 1.049 333 K CA 1.942 58.231 56.287 0.004 0.000 0.931 333 K CB -0.082 32.412 32.500 -0.010 0.000 0.714 333 K HN 0.131 nan 8.250 nan 0.000 0.440 334 D N 0.134 120.559 120.400 0.042 0.000 2.123 334 D HA -0.120 4.522 4.640 0.003 0.000 0.196 334 D C 1.568 177.930 176.300 0.102 0.000 0.992 334 D CA 1.472 55.519 54.000 0.078 0.000 0.833 334 D CB -0.057 40.832 40.800 0.148 0.000 0.954 334 D HN 0.344 nan 8.370 nan 0.000 0.455 335 A N -0.668 122.206 122.820 0.089 0.000 2.119 335 A HA 0.330 4.652 4.320 0.003 0.000 0.216 335 A C 1.803 179.427 177.584 0.067 0.000 1.152 335 A CA 1.244 53.331 52.037 0.084 0.000 0.708 335 A CB -0.598 18.435 19.000 0.055 0.000 0.805 335 A HN 0.491 nan 8.150 nan 0.000 0.460 336 G N -1.140 107.687 108.800 0.046 0.000 2.246 336 G HA2 -0.132 3.830 3.960 0.003 0.000 0.273 336 G HA3 -0.132 3.830 3.960 0.003 0.000 0.273 336 G C -0.075 174.843 174.900 0.031 0.000 1.055 336 G CA 0.324 45.443 45.100 0.033 0.000 0.851 336 G HN 0.890 nan 8.290 nan 0.000 0.500 337 V N 0.692 120.624 119.914 0.029 0.000 2.555 337 V HA 0.527 4.649 4.120 0.003 0.000 0.302 337 V C 0.197 176.298 176.094 0.013 0.000 1.038 337 V CA -1.133 61.184 62.300 0.028 0.000 0.887 337 V CB 1.918 33.767 31.823 0.043 0.000 0.991 337 V HN 0.375 nan 8.190 nan 0.000 0.434 338 Q N 4.307 124.108 119.800 0.003 0.000 2.306 338 Q HA 0.306 4.648 4.340 0.003 0.000 0.241 338 Q C -1.725 174.269 176.000 -0.009 0.000 0.948 338 Q CA -2.130 53.662 55.803 -0.020 0.000 0.886 338 Q CB 1.041 29.761 28.738 -0.030 0.000 1.227 338 Q HN 0.345 nan 8.270 nan 0.000 0.457 339 P HA -0.192 nan 4.420 nan 0.000 0.217 339 P C 0.442 177.792 177.300 0.083 0.000 1.151 339 P CA 1.402 64.527 63.100 0.042 0.000 0.849 339 P CB 0.402 31.981 31.700 -0.202 0.000 0.787 340 E N -0.549 119.536 120.200 -0.192 0.000 2.333 340 E HA -0.157 4.195 4.350 0.003 0.000 0.198 340 E C 1.484 177.789 176.600 -0.491 0.000 1.007 340 E CA 0.849 56.875 56.400 -0.624 0.000 0.845 340 E CB -0.630 28.897 29.700 -0.288 0.000 0.766 340 E HN 0.478 nan 8.360 nan 0.000 0.507 341 E N -0.134 119.974 120.200 -0.152 0.000 2.489 341 E HA 0.019 4.371 4.350 0.003 0.000 0.193 341 E C -0.054 176.563 176.600 0.030 0.000 1.057 341 E CA -0.110 56.271 56.400 -0.032 0.000 0.866 341 E CB 0.412 30.114 29.700 0.005 0.000 0.916 341 E HN 0.155 nan 8.360 nan 0.000 0.500 342 I N 1.107 121.731 120.570 0.091 0.000 2.416 342 I HA 0.015 4.187 4.170 0.003 0.000 0.288 342 I C 1.106 177.242 176.117 0.031 0.000 1.051 342 I CA 0.421 61.759 61.300 0.064 0.000 1.375 342 I CB 1.547 39.606 38.000 0.099 0.000 1.407 342 I HN -0.078 nan 8.210 nan 0.000 0.516 343 S N 5.027 120.604 115.700 -0.205 0.000 2.475 343 S HA 0.051 4.523 4.470 0.003 0.000 0.224 343 S C -0.166 174.099 174.600 -0.559 0.000 1.042 343 S CA 0.459 58.449 58.200 -0.351 0.000 0.935 343 S CB 0.202 62.985 63.200 -0.695 0.000 0.801 343 S HN 0.605 nan 8.310 nan 0.000 0.509 344 Y N 0.620 120.566 120.300 -0.590 0.000 2.479 344 Y HA 0.586 5.138 4.550 0.003 0.000 0.338 344 Y C -1.960 173.785 175.900 -0.259 0.000 1.055 344 Y CA -1.589 56.229 58.100 -0.471 0.000 1.023 344 Y CB 0.853 39.143 38.460 -0.283 0.000 1.287 344 Y HN -0.065 nan 8.280 nan 0.000 0.447 345 I N 6.022 126.042 120.570 -0.917 0.000 2.418 345 I HA 0.276 4.448 4.170 0.003 0.000 0.287 345 I C -0.522 175.008 176.117 -0.978 0.000 1.008 345 I CA -0.855 59.989 61.300 -0.760 0.000 1.104 345 I CB 1.604 39.367 38.000 -0.395 0.000 1.264 345 I HN 0.612 nan 8.210 nan 0.000 0.438 346 N N 5.972 124.223 118.700 -0.748 0.000 2.439 346 N HA 0.322 5.064 4.740 0.003 0.000 0.243 346 N C -0.358 175.066 175.510 -0.143 0.000 1.088 346 N CA -0.130 52.722 53.050 -0.330 0.000 0.940 346 N CB 1.278 39.740 38.487 -0.041 0.000 1.180 346 N HN 0.743 nan 8.380 nan 0.000 0.505 347 A N 2.869 125.668 122.820 -0.035 0.000 2.386 347 A HA 0.048 4.370 4.320 0.003 0.000 0.248 347 A C 1.156 178.723 177.584 -0.028 0.000 1.082 347 A CA -0.167 51.902 52.037 0.054 0.000 0.789 347 A CB 0.256 19.435 19.000 0.297 0.000 1.025 347 A HN 0.910 nan 8.150 nan 0.000 0.490 348 H N 2.358 121.313 119.070 -0.191 0.000 2.389 348 H HA 0.118 4.676 4.556 0.003 0.000 0.299 348 H C 1.416 176.606 175.328 -0.230 0.000 1.081 348 H CA 1.302 57.166 56.048 -0.306 0.000 1.345 348 H CB -0.385 29.058 29.762 -0.533 0.000 1.393 348 H HN 0.932 nan 8.280 nan 0.000 0.520 349 A N 0.796 123.515 122.820 -0.167 0.000 2.198 349 A HA -0.169 4.153 4.320 0.003 0.000 0.322 349 A C 1.570 178.872 177.584 -0.470 0.000 0.870 349 A CA 1.229 53.067 52.037 -0.332 0.000 1.382 349 A CB -0.898 17.702 19.000 -0.667 0.000 0.668 349 A HN 0.781 nan 8.150 nan 0.000 0.299 350 T N -0.483 113.828 114.554 -0.405 0.000 3.107 350 T HA 0.374 4.726 4.350 0.003 0.000 0.249 350 T C 0.654 175.256 174.700 -0.164 0.000 1.096 350 T CA 0.800 62.671 62.100 -0.382 0.000 1.012 350 T CB 0.046 68.693 68.868 -0.369 0.000 0.977 350 T HN 2.120 nan 8.240 nan 0.000 0.527 351 S N 0.761 116.342 115.700 -0.198 0.000 3.895 351 S HA -0.108 4.364 4.470 0.003 0.000 0.301 351 S C 0.122 174.700 174.600 -0.036 0.000 1.137 351 S CA 0.425 58.536 58.200 -0.148 0.000 0.830 351 S CB -2.029 61.100 63.200 -0.118 0.000 0.892 351 S HN 1.239 nan 8.310 nan 0.000 0.562 352 T N -0.746 113.807 114.554 -0.002 0.000 2.855 352 T HA 0.699 5.050 4.350 0.003 0.000 0.281 352 T C -1.525 173.206 174.700 0.052 0.000 1.007 352 T CA -1.739 60.400 62.100 0.065 0.000 1.009 352 T CB 1.738 70.696 68.868 0.150 0.000 0.983 352 T HN -0.059 nan 8.240 nan 0.000 0.455 353 P HA -0.091 nan 4.420 nan 0.000 0.214 353 P C 1.577 178.945 177.300 0.113 0.000 1.169 353 P CA 1.097 64.244 63.100 0.080 0.000 0.908 353 P CB 0.049 31.787 31.700 0.064 0.000 0.791 354 L N -1.875 119.405 121.223 0.096 0.000 2.131 354 L HA 0.016 4.358 4.340 0.003 0.000 0.206 354 L C 2.641 179.581 176.870 0.117 0.000 1.087 354 L CA 1.515 56.410 54.840 0.092 0.000 0.767 354 L CB -1.450 40.641 42.059 0.054 0.000 0.917 354 L HN 0.082 nan 8.230 nan 0.000 0.441 355 G N -0.013 108.868 108.800 0.134 0.000 2.433 355 G HA2 -0.250 3.712 3.960 0.003 0.000 0.216 355 G HA3 -0.250 3.712 3.960 0.003 0.000 0.216 355 G C 1.047 176.057 174.900 0.183 0.000 1.186 355 G CA 0.898 46.097 45.100 0.165 0.000 0.779 355 G HN 0.280 nan 8.290 nan 0.000 0.543 356 D N 1.022 121.511 120.400 0.148 0.000 2.117 356 D HA 0.003 4.645 4.640 0.003 0.000 0.197 356 D C 2.773 179.340 176.300 0.444 0.000 0.987 356 D CA 1.240 55.345 54.000 0.175 0.000 0.829 356 D CB -0.493 40.262 40.800 -0.075 0.000 0.961 356 D HN 0.308 nan 8.370 nan 0.000 0.460 357 A N 0.895 123.968 122.820 0.421 0.000 1.902 357 A HA -0.036 4.286 4.320 0.003 0.000 0.217 357 A C 2.290 179.971 177.584 0.162 0.000 1.181 357 A CA 2.200 54.430 52.037 0.321 0.000 0.623 357 A CB -0.811 18.323 19.000 0.223 0.000 0.818 357 A HN 0.236 nan 8.150 nan 0.000 0.443 358 A N -0.436 122.467 122.820 0.138 0.000 1.902 358 A HA -0.174 4.148 4.320 0.003 0.000 0.217 358 A C 2.039 179.676 177.584 0.089 0.000 1.181 358 A CA 1.818 53.894 52.037 0.066 0.000 0.623 358 A CB -0.529 18.475 19.000 0.008 0.000 0.818 358 A HN 0.674 nan 8.150 nan 0.000 0.443 359 E N -0.053 120.258 120.200 0.184 0.000 2.072 359 E HA -0.217 4.135 4.350 0.003 0.000 0.191 359 E C 2.055 178.821 176.600 0.276 0.000 0.985 359 E CA 1.117 57.677 56.400 0.267 0.000 0.801 359 E CB -0.277 29.690 29.700 0.445 0.000 0.750 359 E HN 0.719 nan 8.360 nan 0.000 0.452 360 N N 0.441 119.335 118.700 0.323 0.000 2.069 360 N HA -0.225 4.517 4.740 0.003 0.000 0.191 360 N C 1.728 177.318 175.510 0.134 0.000 1.031 360 N CA 1.374 54.576 53.050 0.254 0.000 0.852 360 N CB 0.032 38.654 38.487 0.226 0.000 1.018 360 N HN 0.097 nan 8.380 nan 0.000 0.423 361 K N 0.457 120.924 120.400 0.111 0.000 2.032 361 K HA -0.103 4.219 4.320 0.003 0.000 0.209 361 K C 2.170 178.930 176.600 0.266 0.000 1.048 361 K CA 1.413 57.797 56.287 0.161 0.000 0.927 361 K CB -0.188 32.390 32.500 0.130 0.000 0.712 361 K HN 0.224 nan 8.250 nan 0.000 0.441 362 A N 1.294 124.194 122.820 0.134 0.000 1.902 362 A HA -0.169 4.153 4.320 0.003 0.000 0.217 362 A C 2.124 179.825 177.584 0.195 0.000 1.181 362 A CA 1.403 53.492 52.037 0.086 0.000 0.623 362 A CB -0.625 18.394 19.000 0.032 0.000 0.818 362 A HN 0.202 nan 8.150 nan 0.000 0.443 363 I N -0.556 120.151 120.570 0.230 0.000 2.179 363 I HA -0.288 3.884 4.170 0.003 0.000 0.242 363 I C 2.479 178.770 176.117 0.291 0.000 1.088 363 I CA 1.710 63.197 61.300 0.311 0.000 1.357 363 I CB -0.266 37.840 38.000 0.177 0.000 1.051 363 I HN 0.306 nan 8.210 nan 0.000 0.409 364 K N -0.444 120.050 120.400 0.156 0.000 2.097 364 K HA -0.168 4.154 4.320 0.003 0.000 0.205 364 K C 2.099 178.759 176.600 0.101 0.000 1.050 364 K CA 1.311 57.642 56.287 0.073 0.000 0.938 364 K CB -0.279 32.215 32.500 -0.009 0.000 0.718 364 K HN 0.326 nan 8.250 nan 0.000 0.442 365 H N 0.626 119.724 119.070 0.047 0.000 2.267 365 H HA -0.163 4.395 4.556 0.003 0.000 0.297 365 H C 1.921 177.248 175.328 -0.003 0.000 1.080 365 H CA 1.858 57.918 56.048 0.020 0.000 1.278 365 H CB -0.177 29.587 29.762 0.003 0.000 1.365 365 H HN 0.004 nan 8.280 nan 0.000 0.489 366 L N -0.564 120.729 121.223 0.117 0.000 2.017 366 L HA -0.109 4.233 4.340 0.003 0.000 0.208 366 L C 1.349 178.070 176.870 -0.248 0.000 1.073 366 L CA 1.693 56.450 54.840 -0.139 0.000 0.745 366 L CB -0.504 41.359 42.059 -0.327 0.000 0.894 366 L HN 0.196 nan 8.230 nan 0.000 0.432 367 F N -0.990 118.999 119.950 0.065 0.000 2.746 367 F HA 0.160 4.688 4.527 0.003 0.000 0.297 367 F C 1.512 177.370 175.800 0.097 0.000 1.113 367 F CA -0.077 57.976 58.000 0.089 0.000 1.367 367 F CB -0.156 38.899 39.000 0.092 0.000 1.111 367 F HN -0.022 nan 8.300 nan 0.000 0.590 368 K N 0.077 120.594 120.400 0.195 0.000 1.867 368 K HA -0.320 4.002 4.320 0.003 0.000 0.140 368 K C 0.739 177.471 176.600 0.219 0.000 1.408 368 K CA 1.639 58.017 56.287 0.152 0.000 0.461 368 K CB -1.170 31.393 32.500 0.106 0.000 0.594 368 K HN -0.011 nan 8.250 nan 0.000 0.888 369 D N -0.393 120.139 120.400 0.219 0.000 2.218 369 D HA -0.096 4.545 4.640 0.003 0.000 0.204 369 D C 1.758 178.241 176.300 0.305 0.000 0.976 369 D CA 1.536 55.697 54.000 0.269 0.000 0.853 369 D CB -0.299 40.599 40.800 0.163 0.000 0.939 369 D HN 0.415 nan 8.370 nan 0.000 0.481 370 H N 0.401 119.582 119.070 0.185 0.000 2.518 370 H HA 0.075 4.633 4.556 0.003 0.000 0.289 370 H C 1.780 177.157 175.328 0.082 0.000 1.051 370 H CA 1.201 57.344 56.048 0.159 0.000 1.280 370 H CB -0.002 29.876 29.762 0.195 0.000 1.380 370 H HN 0.047 nan 8.280 nan 0.000 0.566 371 A N -0.231 122.586 122.820 -0.005 0.000 2.024 371 A HA -0.201 4.121 4.320 0.003 0.000 0.220 371 A C 1.525 178.825 177.584 -0.474 0.000 1.164 371 A CA 1.465 53.326 52.037 -0.294 0.000 0.643 371 A CB -0.872 17.945 19.000 -0.305 0.000 0.806 371 A HN 0.608 nan 8.150 nan 0.000 0.451 372 Y N -1.283 118.927 120.300 -0.150 0.000 2.546 372 Y HA 0.311 4.863 4.550 0.003 0.000 0.287 372 Y C 2.257 178.079 175.900 -0.131 0.000 1.158 372 Y CA 0.475 58.496 58.100 -0.132 0.000 1.307 372 Y CB 0.045 38.464 38.460 -0.070 0.000 1.036 372 Y HN 0.321 nan 8.280 nan 0.000 0.532 373 A N -0.277 122.467 122.820 -0.127 0.000 2.343 373 A HA 0.324 4.646 4.320 0.003 0.000 0.223 373 A C 0.479 178.000 177.584 -0.105 0.000 1.214 373 A CA -0.052 51.926 52.037 -0.098 0.000 0.900 373 A CB -0.357 18.585 19.000 -0.096 0.000 0.942 373 A HN 0.257 nan 8.150 nan 0.000 0.507 374 L N -3.591 117.414 121.223 -0.363 0.000 2.397 374 L HA 0.977 5.319 4.340 0.003 0.000 0.266 374 L C -0.019 176.586 176.870 -0.443 0.000 1.040 374 L CA -1.051 53.563 54.840 -0.377 0.000 0.800 374 L CB 0.564 42.291 42.059 -0.554 0.000 1.324 374 L HN 0.046 nan 8.230 nan 0.000 0.469 375 A N -0.029 122.378 122.820 -0.688 0.000 2.374 375 A HA 0.876 5.198 4.320 0.003 0.000 0.317 375 A C -0.983 176.403 177.584 -0.331 0.000 1.094 375 A CA -0.618 51.094 52.037 -0.541 0.000 0.765 375 A CB 1.579 20.123 19.000 -0.760 0.000 1.268 375 A HN 0.597 nan 8.150 nan 0.000 0.438 376 V N 1.452 121.216 119.914 -0.249 0.000 2.735 376 V HA 0.807 4.929 4.120 0.003 0.000 0.310 376 V C -0.002 176.139 176.094 0.079 0.000 1.061 376 V CA -0.097 62.101 62.300 -0.170 0.000 0.913 376 V CB 1.841 33.556 31.823 -0.180 0.000 1.005 376 V HN 1.335 nan 8.190 nan 0.000 0.428 377 S N 1.904 117.714 115.700 0.184 0.000 2.579 377 S HA 0.744 5.216 4.470 0.003 0.000 0.272 377 S C -0.881 173.889 174.600 0.282 0.000 1.141 377 S CA -0.649 57.740 58.200 0.315 0.000 0.843 377 S CB 2.030 65.410 63.200 0.300 0.000 1.122 377 S HN 0.860 nan 8.310 nan 0.000 0.468 378 S N 0.716 116.584 115.700 0.279 0.000 2.478 378 S HA 0.543 5.015 4.470 0.003 0.000 0.312 378 S C 0.721 175.346 174.600 0.042 0.000 1.094 378 S CA -0.078 58.176 58.200 0.090 0.000 1.081 378 S CB 0.866 64.008 63.200 -0.096 0.000 1.007 378 S HN 1.075 nan 8.310 nan 0.000 0.475 379 T N 2.118 116.699 114.554 0.046 0.000 3.144 379 T HA 0.258 4.610 4.350 0.003 0.000 0.249 379 T C 1.114 175.815 174.700 0.001 0.000 1.089 379 T CA -0.082 62.040 62.100 0.036 0.000 0.989 379 T CB -0.142 68.803 68.868 0.129 0.000 0.992 379 T HN 0.610 nan 8.240 nan 0.000 0.540 380 K N 0.949 121.303 120.400 -0.076 0.000 2.365 380 K HA 0.084 4.406 4.320 0.003 0.000 0.199 380 K C 2.457 179.001 176.600 -0.093 0.000 1.045 380 K CA 0.728 56.943 56.287 -0.121 0.000 0.962 380 K CB -0.334 32.014 32.500 -0.253 0.000 0.759 380 K HN 0.505 nan 8.250 nan 0.000 0.469 381 G N 1.017 109.764 108.800 -0.088 0.000 2.448 381 G HA2 -0.231 3.731 3.960 0.003 0.000 0.219 381 G HA3 -0.231 3.731 3.960 0.003 0.000 0.219 381 G C 1.437 176.299 174.900 -0.063 0.000 1.127 381 G CA 0.991 46.044 45.100 -0.078 0.000 0.766 381 G HN 0.342 nan 8.290 nan 0.000 0.552 382 A N 0.347 123.134 122.820 -0.054 0.000 1.901 382 A HA 0.173 4.495 4.320 0.003 0.000 0.210 382 A C 2.529 180.104 177.584 -0.016 0.000 1.208 382 A CA 2.041 54.049 52.037 -0.049 0.000 0.644 382 A CB -0.484 18.465 19.000 -0.084 0.000 0.863 382 A HN 0.414 nan 8.150 nan 0.000 0.454 383 T N -3.671 110.891 114.554 0.013 0.000 3.057 383 T HA 0.443 4.795 4.350 0.003 0.000 0.254 383 T C 1.205 175.896 174.700 -0.015 0.000 1.094 383 T CA 1.117 63.235 62.100 0.030 0.000 1.088 383 T CB -0.347 68.573 68.868 0.087 0.000 0.934 383 T HN 1.896 nan 8.240 nan 0.000 0.497 384 G N 1.313 110.094 108.800 -0.033 0.000 0.000 384 G HA2 -0.180 3.782 3.960 0.003 0.000 0.000 384 G HA3 -0.180 3.782 3.960 0.003 0.000 0.000 384 G C -0.771 174.108 174.900 -0.035 0.000 0.000 384 G CA -0.366 44.714 45.100 -0.034 0.000 0.000 384 G HN 0.786 nan 8.290 nan 0.000 0.000 385 H N 0.832 119.811 119.070 -0.152 0.000 2.846 385 H HA 0.448 5.006 4.556 0.003 0.000 0.278 385 H C 1.549 176.723 175.328 -0.257 0.000 1.117 385 H CA -0.749 55.128 56.048 -0.285 0.000 1.406 385 H CB 0.230 29.677 29.762 -0.524 0.000 1.445 385 H HN 0.413 nan 8.280 nan 0.000 0.469 386 L N 6.748 128.024 121.223 0.089 0.000 2.645 386 L HA 0.002 4.344 4.340 0.003 0.000 0.235 386 L C 1.276 178.097 176.870 -0.083 0.000 1.150 386 L CA 0.125 54.941 54.840 -0.041 0.000 0.911 386 L CB -0.362 41.652 42.059 -0.075 0.000 1.077 386 L HN 0.674 nan 8.230 nan 0.000 0.438 387 L N -0.782 120.367 121.223 -0.124 0.000 5.895 387 L HA -0.352 3.990 4.340 0.003 0.000 0.053 387 L C 1.886 178.691 176.870 -0.108 0.000 2.741 387 L CA 1.101 55.747 54.840 -0.323 0.000 1.500 387 L CB -1.907 39.947 42.059 -0.341 0.000 2.928 387 L HN 0.281 nan 8.230 nan 0.000 1.023 388 G N -0.991 107.753 108.800 -0.094 0.000 2.479 388 G HA2 0.033 3.995 3.960 0.003 0.000 0.220 388 G HA3 0.033 3.995 3.960 0.003 0.000 0.220 388 G C 1.251 176.117 174.900 -0.057 0.000 1.115 388 G CA 1.395 46.464 45.100 -0.052 0.000 0.757 388 G HN 0.874 nan 8.290 nan 0.000 0.560 389 A N 0.337 123.112 122.820 -0.076 0.000 2.195 389 A HA 0.635 4.957 4.320 0.003 0.000 0.210 389 A C 2.590 180.106 177.584 -0.114 0.000 1.165 389 A CA 1.295 53.273 52.037 -0.098 0.000 0.806 389 A CB -0.239 18.692 19.000 -0.115 0.000 0.847 389 A HN 0.535 nan 8.150 nan 0.000 0.482 390 A N 0.068 122.842 122.820 -0.077 0.000 1.908 390 A HA 0.040 4.362 4.320 0.003 0.000 0.218 390 A C 2.298 179.801 177.584 -0.135 0.000 1.181 390 A CA 1.940 53.919 52.037 -0.096 0.000 0.627 390 A CB -1.232 17.747 19.000 -0.035 0.000 0.818 390 A HN 0.709 nan 8.150 nan 0.000 0.445 391 G N -1.195 107.537 108.800 -0.112 0.000 2.448 391 G HA2 0.133 4.095 3.960 0.003 0.000 0.218 391 G HA3 0.133 4.095 3.960 0.003 0.000 0.218 391 G C 1.569 176.376 174.900 -0.156 0.000 1.135 391 G CA 1.240 46.258 45.100 -0.136 0.000 0.784 391 G HN 0.769 nan 8.290 nan 0.000 0.543 392 A N -0.027 122.697 122.820 -0.160 0.000 1.903 392 A HA 0.235 4.557 4.320 0.003 0.000 0.213 392 A C 2.471 179.897 177.584 -0.264 0.000 1.185 392 A CA 1.322 53.251 52.037 -0.180 0.000 0.628 392 A CB -0.679 18.233 19.000 -0.148 0.000 0.830 392 A HN 0.297 nan 8.150 nan 0.000 0.446 393 V N 0.431 120.153 119.914 -0.321 0.000 2.407 393 V HA -0.256 3.866 4.120 0.003 0.000 0.248 393 V C 2.225 177.867 176.094 -0.753 0.000 1.055 393 V CA 2.745 64.709 62.300 -0.559 0.000 1.049 393 V CB -0.512 30.997 31.823 -0.524 0.000 0.662 393 V HN 0.723 nan 8.190 nan 0.000 0.455 394 E N -0.123 119.829 120.200 -0.414 0.000 2.158 394 E HA -0.025 4.327 4.350 0.003 0.000 0.191 394 E C 2.248 178.777 176.600 -0.118 0.000 0.982 394 E CA 1.017 57.294 56.400 -0.205 0.000 0.823 394 E CB -0.341 29.304 29.700 -0.091 0.000 0.766 394 E HN 0.675 nan 8.360 nan 0.000 0.468 395 A N 1.583 124.305 122.820 -0.164 0.000 1.902 395 A HA -0.140 4.182 4.320 0.003 0.000 0.217 395 A C 2.397 179.893 177.584 -0.147 0.000 1.181 395 A CA 1.651 53.610 52.037 -0.131 0.000 0.623 395 A CB -0.682 18.228 19.000 -0.150 0.000 0.818 395 A HN 0.295 nan 8.150 nan 0.000 0.443 396 A N -0.739 121.937 122.820 -0.241 0.000 1.883 396 A HA -0.030 4.292 4.320 0.003 0.000 0.217 396 A C 1.897 179.427 177.584 -0.089 0.000 1.186 396 A CA 1.720 53.602 52.037 -0.260 0.000 0.624 396 A CB -0.771 18.018 19.000 -0.352 0.000 0.822 396 A HN 0.449 nan 8.150 nan 0.000 0.444 397 F N 0.735 120.676 119.950 -0.015 0.000 2.186 397 F HA -0.081 4.448 4.527 0.003 0.000 0.299 397 F C 2.713 178.594 175.800 0.135 0.000 1.090 397 F CA 1.371 59.456 58.000 0.142 0.000 1.307 397 F CB -1.543 37.601 39.000 0.240 0.000 1.019 397 F HN 0.146 nan 8.300 nan 0.000 0.489 398 T N -1.051 113.677 114.554 0.290 0.000 2.821 398 T HA -0.135 4.217 4.350 0.003 0.000 0.267 398 T C 2.049 176.814 174.700 0.109 0.000 1.046 398 T CA 1.840 64.109 62.100 0.283 0.000 1.139 398 T CB -0.520 68.469 68.868 0.201 0.000 0.871 398 T HN 0.213 nan 8.240 nan 0.000 0.454 399 T N 2.477 117.011 114.554 -0.034 0.000 2.684 399 T HA 0.011 4.363 4.350 0.003 0.000 0.267 399 T C 1.928 176.467 174.700 -0.268 0.000 1.036 399 T CA 0.978 62.986 62.100 -0.153 0.000 1.148 399 T CB -0.419 68.299 68.868 -0.250 0.000 0.863 399 T HN 0.259 nan 8.240 nan 0.000 0.436 400 L N 0.533 121.514 121.223 -0.403 0.000 2.156 400 L HA 0.034 4.376 4.340 0.003 0.000 0.208 400 L C 3.003 179.557 176.870 -0.526 0.000 1.095 400 L CA 0.838 55.255 54.840 -0.706 0.000 0.770 400 L CB -0.611 40.686 42.059 -1.271 0.000 0.914 400 L HN 0.225 nan 8.230 nan 0.000 0.439 401 A N -0.646 122.030 122.820 -0.240 0.000 1.908 401 A HA -0.239 4.083 4.320 0.003 0.000 0.218 401 A C 2.416 179.703 177.584 -0.495 0.000 1.181 401 A CA 1.911 53.891 52.037 -0.096 0.000 0.627 401 A CB -1.148 17.842 19.000 -0.018 0.000 0.818 401 A HN 0.519 nan 8.150 nan 0.000 0.445 402 C N -2.515 116.531 119.300 -0.423 0.000 2.432 402 C HA -0.089 4.373 4.460 0.003 0.000 0.277 402 C C 2.500 177.268 174.990 -0.370 0.000 1.249 402 C CA 1.087 59.780 59.018 -0.541 0.000 1.725 402 C CB -1.487 26.212 27.740 -0.069 0.000 2.028 402 C HN 0.728 nan 8.230 nan 0.000 0.477 403 Y N -0.106 119.951 120.300 -0.404 0.000 2.181 403 Y HA -0.179 4.372 4.550 0.003 0.000 0.288 403 Y C 2.047 177.682 175.900 -0.442 0.000 1.146 403 Y CA 1.743 59.592 58.100 -0.419 0.000 1.164 403 Y CB -0.451 37.702 38.460 -0.512 0.000 0.982 403 Y HN 0.437 nan 8.280 nan 0.000 0.515 404 Y N 0.079 120.274 120.300 -0.175 0.000 2.500 404 Y HA 0.124 4.676 4.550 0.004 0.000 0.270 404 Y C 0.751 176.571 175.900 -0.134 0.000 1.134 404 Y CA 0.223 58.235 58.100 -0.145 0.000 1.293 404 Y CB -0.467 38.019 38.460 0.044 0.000 1.063 404 Y HN 0.101 nan 8.280 nan 0.000 0.534 405 Q N 0.797 120.495 119.800 -0.169 0.000 2.439 405 Q HA -0.278 4.064 4.340 0.003 0.000 0.325 405 Q C -0.220 175.834 176.000 0.089 0.000 1.372 405 Q CA 0.908 56.601 55.803 -0.183 0.000 0.909 405 Q CB -1.195 27.547 28.738 0.007 0.000 1.167 405 Q HN 0.444 nan 8.270 nan 0.000 0.418 406 K N 0.689 121.156 120.400 0.111 0.000 2.501 406 K HA 0.609 4.931 4.320 0.003 0.000 0.252 406 K C -1.274 175.389 176.600 0.105 0.000 0.934 406 K CA -0.649 55.737 56.287 0.164 0.000 0.797 406 K CB 1.305 33.925 32.500 0.200 0.000 1.270 406 K HN 0.136 nan 8.250 nan 0.000 0.431 407 L N 5.284 126.495 121.223 -0.020 0.000 2.322 407 L HA 0.565 4.907 4.340 0.003 0.000 0.281 407 L C -2.175 174.579 176.870 -0.193 0.000 1.014 407 L CA -2.255 52.455 54.840 -0.218 0.000 0.815 407 L CB 1.648 43.529 42.059 -0.296 0.000 1.247 407 L HN 0.536 nan 8.230 nan 0.000 0.421 408 P HA 0.263 nan 4.420 nan 0.000 0.278 408 P C -2.720 174.508 177.300 -0.120 0.000 1.238 408 P CA -1.765 61.166 63.100 -0.283 0.000 0.794 408 P CB 0.531 32.006 31.700 -0.374 0.000 0.955 409 P HA 0.127 nan 4.420 nan 0.000 0.276 409 P C -0.469 176.836 177.300 0.009 0.000 1.252 409 P CA -0.052 63.027 63.100 -0.035 0.000 0.802 409 P CB 0.299 31.964 31.700 -0.058 0.000 1.035 410 T N 2.403 117.002 114.554 0.076 0.000 2.729 410 T HA 0.298 4.650 4.350 0.003 0.000 0.296 410 T C 0.573 175.298 174.700 0.042 0.000 0.928 410 T CA -0.293 61.862 62.100 0.092 0.000 1.045 410 T CB -0.315 68.683 68.868 0.218 0.000 0.902 410 T HN 0.172 nan 8.240 nan 0.000 0.500 411 L N 3.918 125.137 121.223 -0.006 0.000 2.467 411 L HA 0.165 4.507 4.340 0.003 0.000 0.270 411 L C 1.077 177.935 176.870 -0.021 0.000 1.205 411 L CA -0.375 54.449 54.840 -0.025 0.000 0.828 411 L CB 0.098 42.126 42.059 -0.052 0.000 1.101 411 L HN 0.713 nan 8.230 nan 0.000 0.479 412 N N -0.030 118.656 118.700 -0.023 0.000 2.936 412 N HA -0.206 4.536 4.740 0.003 0.000 0.236 412 N C -0.255 175.280 175.510 0.041 0.000 0.930 412 N CA 0.730 53.756 53.050 -0.040 0.000 0.966 412 N CB -0.985 37.429 38.487 -0.121 0.000 1.090 412 N HN 0.337 nan 8.380 nan 0.000 0.592 413 L N 2.943 124.219 121.223 0.088 0.000 2.399 413 L HA 0.172 4.514 4.340 0.003 0.000 0.257 413 L C 1.046 177.997 176.870 0.136 0.000 1.236 413 L CA 0.241 55.176 54.840 0.158 0.000 1.144 413 L CB 0.160 42.297 42.059 0.131 0.000 1.379 413 L HN 0.069 nan 8.230 nan 0.000 0.414 414 D N 0.444 120.947 120.400 0.173 0.000 2.346 414 D HA 0.037 4.679 4.640 0.003 0.000 0.206 414 D C 0.528 176.868 176.300 0.067 0.000 1.001 414 D CA 0.470 54.534 54.000 0.106 0.000 0.871 414 D CB -0.202 40.657 40.800 0.099 0.000 0.943 414 D HN 0.400 nan 8.370 nan 0.000 0.518 415 C N -1.196 118.117 119.300 0.023 0.000 3.321 415 C HA 0.889 5.351 4.460 0.003 0.000 0.329 415 C C -0.965 173.944 174.990 -0.134 0.000 1.394 415 C CA -0.626 58.364 59.018 -0.046 0.000 1.291 415 C CB 1.489 29.191 27.740 -0.064 0.000 1.606 415 C HN 0.297 nan 8.230 nan 0.000 0.463 416 S N -0.517 115.142 115.700 -0.068 0.000 2.570 416 S HA 0.660 5.132 4.470 0.003 0.000 0.270 416 S C -1.333 173.298 174.600 0.052 0.000 1.149 416 S CA -0.658 57.512 58.200 -0.049 0.000 0.837 416 S CB 1.023 64.243 63.200 0.034 0.000 1.124 416 S HN 0.934 nan 8.310 nan 0.000 0.465 417 E N 1.121 121.404 120.200 0.138 0.000 2.408 417 E HA 0.207 4.559 4.350 0.003 0.000 0.259 417 E C -1.764 174.946 176.600 0.183 0.000 1.110 417 E CA -1.820 54.684 56.400 0.173 0.000 0.929 417 E CB 0.126 29.973 29.700 0.244 0.000 0.971 417 E HN 0.389 nan 8.360 nan 0.000 0.438 418 P HA -0.249 nan 4.420 nan 0.000 0.219 418 P C 1.071 178.410 177.300 0.064 0.000 1.146 418 P CA 1.378 64.528 63.100 0.083 0.000 0.808 418 P CB 0.052 31.782 31.700 0.049 0.000 0.779 419 E N -0.548 119.654 120.200 0.004 0.000 2.204 419 E HA -0.139 4.213 4.350 0.003 0.000 0.194 419 E C -0.008 176.439 176.600 -0.256 0.000 0.989 419 E CA 0.558 56.861 56.400 -0.161 0.000 0.824 419 E CB -0.633 28.891 29.700 -0.294 0.000 0.756 419 E HN 0.186 nan 8.360 nan 0.000 0.477 420 F N 3.052 123.058 119.950 0.093 0.000 2.541 420 F HA 0.170 4.699 4.527 0.003 0.000 0.351 420 F C 0.084 176.039 175.800 0.258 0.000 1.209 420 F CA -0.635 57.451 58.000 0.144 0.000 1.277 420 F CB 0.671 39.649 39.000 -0.036 0.000 1.632 420 F HN 0.056 nan 8.300 nan 0.000 0.619 421 D N 0.653 121.228 120.400 0.292 0.000 2.440 421 D HA 0.112 4.754 4.640 0.003 0.000 0.216 421 D C 0.285 176.628 176.300 0.071 0.000 1.150 421 D CA 0.206 54.331 54.000 0.208 0.000 0.832 421 D CB -0.088 40.838 40.800 0.209 0.000 0.992 421 D HN 0.295 nan 8.370 nan 0.000 0.502 422 L N -0.124 120.971 121.223 -0.214 0.000 2.472 422 L HA 0.308 4.650 4.340 0.003 0.000 0.256 422 L C 0.603 177.011 176.870 -0.770 0.000 1.111 422 L CA -1.098 53.354 54.840 -0.646 0.000 0.800 422 L CB 0.269 41.766 42.059 -0.937 0.000 1.286 422 L HN -0.127 nan 8.230 nan 0.000 0.479 423 N N -0.303 118.022 118.700 -0.625 0.000 2.415 423 N HA 0.096 4.838 4.740 0.003 0.000 0.246 423 N C -0.581 174.594 175.510 -0.559 0.000 1.078 423 N CA 0.004 52.812 53.050 -0.403 0.000 0.942 423 N CB 0.188 38.586 38.487 -0.148 0.000 1.140 423 N HN 0.327 nan 8.380 nan 0.000 0.501 424 Y N 2.535 122.766 120.300 -0.115 0.000 2.625 424 Y HA 0.205 4.757 4.550 0.003 0.000 0.285 424 Y C 0.901 176.797 175.900 -0.008 0.000 1.168 424 Y CA -0.501 57.517 58.100 -0.138 0.000 1.250 424 Y CB -0.038 38.267 38.460 -0.258 0.000 1.130 424 Y HN 0.242 nan 8.280 nan 0.000 0.526 425 V N 0.633 120.592 119.914 0.075 0.000 5.691 425 V HA -0.233 3.889 4.120 0.003 0.000 0.288 425 V C -2.440 173.713 176.094 0.097 0.000 0.615 425 V CA -0.505 61.843 62.300 0.081 0.000 0.619 425 V CB -1.684 30.183 31.823 0.073 0.000 0.296 425 V HN 0.278 nan 8.190 nan 0.000 0.834 426 P HA 0.350 nan 4.420 nan 0.000 0.267 426 P C 1.190 178.525 177.300 0.059 0.000 1.205 426 P CA 0.501 63.665 63.100 0.106 0.000 0.765 426 P CB 1.585 33.354 31.700 0.115 0.000 0.828 427 L N -1.240 120.008 121.223 0.041 0.000 3.417 427 L HA -0.277 4.065 4.340 0.003 0.000 0.368 427 L C 0.772 177.633 176.870 -0.015 0.000 0.810 427 L CA 1.670 56.516 54.840 0.011 0.000 3.108 427 L CB -1.358 40.711 42.059 0.017 0.000 0.687 427 L HN 0.456 nan 8.230 nan 0.000 0.756 428 K N 0.707 121.100 120.400 -0.011 0.000 2.378 428 K HA 0.722 5.044 4.320 0.003 0.000 0.252 428 K C -0.215 176.363 176.600 -0.036 0.000 0.931 428 K CA 0.140 56.408 56.287 -0.031 0.000 0.794 428 K CB 2.048 34.538 32.500 -0.017 0.000 1.181 428 K HN 0.182 nan 8.250 nan 0.000 0.425 429 A N 3.147 125.921 122.820 -0.077 0.000 2.520 429 A HA 0.104 4.426 4.320 0.003 0.000 0.235 429 A C -0.587 176.981 177.584 -0.027 0.000 1.065 429 A CA 0.340 52.323 52.037 -0.090 0.000 0.764 429 A CB 0.237 19.137 19.000 -0.167 0.000 1.002 429 A HN 0.766 nan 8.150 nan 0.000 0.502 430 Q N 0.665 120.472 119.800 0.011 0.000 2.353 430 Q HA 0.304 4.646 4.340 0.003 0.000 0.268 430 Q C -0.845 175.234 176.000 0.133 0.000 1.045 430 Q CA -0.516 55.341 55.803 0.090 0.000 0.811 430 Q CB 2.125 30.968 28.738 0.175 0.000 1.305 430 Q HN 0.835 nan 8.270 nan 0.000 0.447 431 E N 1.436 121.711 120.200 0.126 0.000 2.398 431 E HA 0.029 4.381 4.350 0.003 0.000 0.263 431 E C -0.984 175.785 176.600 0.281 0.000 1.046 431 E CA 0.209 56.699 56.400 0.151 0.000 0.908 431 E CB 0.981 30.725 29.700 0.074 0.000 0.963 431 E HN 0.480 nan 8.360 nan 0.000 0.431 432 W N 4.668 126.024 121.300 0.093 0.000 2.162 432 W HA 0.153 4.815 4.660 0.003 0.000 0.292 432 W C -1.087 175.552 176.519 0.199 0.000 0.998 432 W CA -0.627 56.811 57.345 0.155 0.000 1.570 432 W CB 0.569 30.177 29.460 0.247 0.000 1.644 432 W HN 0.321 nan 8.180 nan 0.000 0.360 433 K N 2.318 122.739 120.400 0.035 0.000 2.234 433 K HA 0.393 4.715 4.320 0.003 0.000 0.282 433 K C 0.090 176.691 176.600 0.002 0.000 1.039 433 K CA -0.108 56.215 56.287 0.061 0.000 0.928 433 K CB 2.113 34.620 32.500 0.012 0.000 1.039 433 K HN 0.198 nan 8.250 nan 0.000 0.470 434 T N 0.729 115.353 114.554 0.117 0.000 2.933 434 T HA 0.234 4.585 4.350 0.003 0.000 0.305 434 T C 0.238 174.995 174.700 0.094 0.000 1.092 434 T CA -0.572 61.581 62.100 0.088 0.000 1.008 434 T CB 1.051 70.010 68.868 0.151 0.000 1.102 434 T HN 0.420 nan 8.240 nan 0.000 0.469 435 E N 2.011 122.245 120.200 0.058 0.000 2.318 435 E HA 0.140 4.492 4.350 0.003 0.000 0.193 435 E C 0.483 177.123 176.600 0.068 0.000 0.998 435 E CA 0.507 56.940 56.400 0.054 0.000 0.859 435 E CB 0.290 30.008 29.700 0.031 0.000 0.812 435 E HN 0.574 nan 8.360 nan 0.000 0.492 436 K N 1.083 121.528 120.400 0.075 0.000 2.120 436 K HA 0.188 4.510 4.320 0.003 0.000 0.245 436 K C 0.569 177.240 176.600 0.118 0.000 1.024 436 K CA -0.544 55.793 56.287 0.083 0.000 0.906 436 K CB 0.801 33.344 32.500 0.072 0.000 1.051 436 K HN -0.141 nan 8.250 nan 0.000 0.491 437 R N 1.370 121.937 120.500 0.113 0.000 2.522 437 R HA -0.026 4.316 4.340 0.003 0.000 0.284 437 R C -0.773 175.643 176.300 0.194 0.000 1.032 437 R CA 0.100 56.287 56.100 0.146 0.000 1.049 437 R CB 0.118 30.487 30.300 0.116 0.000 0.956 437 R HN 0.436 nan 8.270 nan 0.000 0.422 438 F N 6.648 126.662 119.950 0.107 0.000 2.444 438 F HA 0.316 4.845 4.527 0.003 0.000 0.360 438 F C -0.462 175.403 175.800 0.109 0.000 1.106 438 F CA -0.253 57.829 58.000 0.136 0.000 1.170 438 F CB 0.440 39.523 39.000 0.139 0.000 1.113 438 F HN 0.346 nan 8.300 nan 0.000 0.521 439 I N 5.863 126.426 120.570 -0.012 0.000 2.466 439 I HA 0.509 4.681 4.170 0.003 0.000 0.289 439 I C 0.163 176.262 176.117 -0.029 0.000 1.026 439 I CA -0.744 60.599 61.300 0.071 0.000 1.078 439 I CB 1.793 39.822 38.000 0.049 0.000 1.249 439 I HN 0.669 nan 8.210 nan 0.000 0.429 440 G N 6.045 114.924 108.800 0.133 0.000 2.498 440 G HA2 0.831 4.793 3.960 0.003 0.000 0.312 440 G HA3 0.831 4.793 3.960 0.003 0.000 0.312 440 G C -1.167 173.759 174.900 0.042 0.000 1.230 440 G CA -0.616 44.553 45.100 0.114 0.000 0.968 440 G HN 0.403 nan 8.290 nan 0.000 0.481 441 L N -0.032 121.166 121.223 -0.042 0.000 2.333 441 L HA 0.721 5.063 4.340 0.003 0.000 0.269 441 L C -0.093 176.723 176.870 -0.091 0.000 1.010 441 L CA -0.861 53.959 54.840 -0.033 0.000 0.818 441 L CB 2.663 44.727 42.059 0.008 0.000 1.306 441 L HN 0.562 nan 8.230 nan 0.000 0.430 442 T N 0.860 115.375 114.554 -0.065 0.000 2.881 442 T HA 0.465 4.817 4.350 0.003 0.000 0.290 442 T C -0.906 173.722 174.700 -0.119 0.000 1.000 442 T CA -0.667 61.376 62.100 -0.096 0.000 0.978 442 T CB 0.850 69.676 68.868 -0.069 0.000 0.997 442 T HN 0.488 nan 8.240 nan 0.000 0.443 443 N N 2.478 121.067 118.700 -0.186 0.000 2.405 443 N HA 0.655 5.397 4.740 0.003 0.000 0.299 443 N C -1.230 173.926 175.510 -0.590 0.000 1.075 443 N CA -0.579 52.251 53.050 -0.367 0.000 0.884 443 N CB 2.040 40.275 38.487 -0.421 0.000 1.194 443 N HN 0.537 nan 8.380 nan 0.000 0.491 444 S N 1.202 116.427 115.700 -0.792 0.000 2.571 444 S HA 0.650 5.122 4.470 0.003 0.000 0.284 444 S C -1.289 172.723 174.600 -0.980 0.000 1.128 444 S CA -0.613 57.067 58.200 -0.866 0.000 0.970 444 S CB 0.694 63.651 63.200 -0.406 0.000 1.039 444 S HN 0.294 nan 8.310 nan 0.000 0.485 445 F N 0.822 120.196 119.950 -0.960 0.000 2.577 445 F HA 0.887 5.416 4.527 0.003 0.000 0.318 445 F C 0.725 176.327 175.800 -0.330 0.000 1.065 445 F CA -0.980 56.721 58.000 -0.497 0.000 0.929 445 F CB 1.871 40.665 39.000 -0.342 0.000 1.237 445 F HN 0.704 nan 8.300 nan 0.000 0.468 446 G N 0.362 109.245 108.800 0.139 0.000 2.672 446 G HA2 0.577 4.539 3.960 0.003 0.000 0.292 446 G HA3 0.577 4.539 3.960 0.003 0.000 0.292 446 G C -1.551 173.557 174.900 0.346 0.000 1.375 446 G CA -0.747 44.459 45.100 0.176 0.000 0.890 446 G HN 0.211 nan 8.290 nan 0.000 0.476 447 F N 0.549 120.591 119.950 0.153 0.000 2.642 447 F HA 0.340 4.869 4.527 0.003 0.000 0.371 447 F C 1.749 177.606 175.800 0.095 0.000 1.120 447 F CA 1.263 59.344 58.000 0.135 0.000 1.331 447 F CB 0.693 39.774 39.000 0.135 0.000 1.044 447 F HN 1.160 nan 8.300 nan 0.000 0.594 448 G N 0.910 109.847 108.800 0.228 0.000 2.175 448 G HA2 -0.001 3.961 3.960 0.003 0.000 0.244 448 G HA3 -0.001 3.961 3.960 0.003 0.000 0.244 448 G C 0.970 175.934 174.900 0.107 0.000 0.982 448 G CA 0.390 45.566 45.100 0.127 0.000 0.641 448 G HN 1.932 nan 8.290 nan 0.000 0.527 449 G N -1.079 107.801 108.800 0.134 0.000 2.160 449 G HA2 0.058 4.020 3.960 0.003 0.000 0.251 449 G HA3 0.058 4.020 3.960 0.003 0.000 0.251 449 G C 0.473 175.428 174.900 0.092 0.000 1.008 449 G CA 1.489 46.644 45.100 0.092 0.000 0.724 449 G HN 2.061 nan 8.290 nan 0.000 0.514 450 T N 0.535 115.170 114.554 0.135 0.000 2.780 450 T HA 0.562 4.914 4.350 0.003 0.000 0.294 450 T C 0.029 174.827 174.700 0.164 0.000 0.949 450 T CA -0.341 61.852 62.100 0.155 0.000 1.074 450 T CB 0.296 69.285 68.868 0.202 0.000 0.910 450 T HN 0.315 nan 8.240 nan 0.000 0.501 451 N N 2.784 121.583 118.700 0.164 0.000 2.240 451 N HA 0.757 5.499 4.740 0.003 0.000 0.302 451 N C -1.305 174.273 175.510 0.114 0.000 1.106 451 N CA -0.635 52.550 53.050 0.225 0.000 0.778 451 N CB 2.149 40.772 38.487 0.227 0.000 1.431 451 N HN 0.796 nan 8.380 nan 0.000 0.479 452 A N 0.379 123.217 122.820 0.029 0.000 2.549 452 A HA 0.773 5.095 4.320 0.003 0.000 0.297 452 A C -0.991 176.590 177.584 -0.005 0.000 1.061 452 A CA -0.505 51.526 52.037 -0.010 0.000 0.690 452 A CB 1.438 20.353 19.000 -0.141 0.000 1.287 452 A HN 0.435 nan 8.150 nan 0.000 0.402 453 T N 1.719 116.315 114.554 0.070 0.000 2.893 453 T HA 0.637 4.989 4.350 0.003 0.000 0.293 453 T C -0.798 173.969 174.700 0.112 0.000 1.027 453 T CA -0.270 61.862 62.100 0.054 0.000 0.988 453 T CB 1.006 69.920 68.868 0.077 0.000 1.043 453 T HN 0.498 nan 8.240 nan 0.000 0.461 454 L N 1.634 122.880 121.223 0.038 0.000 2.346 454 L HA 0.638 4.980 4.340 0.003 0.000 0.276 454 L C -0.195 176.664 176.870 -0.019 0.000 1.006 454 L CA -0.931 53.912 54.840 0.006 0.000 0.817 454 L CB 1.720 43.733 42.059 -0.076 0.000 1.272 454 L HN 0.678 nan 8.230 nan 0.000 0.421 455 C N 5.398 124.673 119.300 -0.041 0.000 2.264 455 C HA 0.712 5.174 4.460 0.003 0.000 0.324 455 C C -0.200 174.744 174.990 -0.077 0.000 1.267 455 C CA -0.446 58.557 59.018 -0.026 0.000 1.618 455 C CB -0.767 26.974 27.740 0.002 0.000 2.278 455 C HN 0.676 nan 8.230 nan 0.000 0.499 456 I N 5.341 125.897 120.570 -0.024 0.000 2.608 456 I HA 0.714 4.886 4.170 0.003 0.000 0.295 456 I C 0.072 176.227 176.117 0.065 0.000 1.049 456 I CA -0.267 61.017 61.300 -0.027 0.000 1.063 456 I CB 1.967 39.951 38.000 -0.027 0.000 1.248 456 I HN 0.778 nan 8.210 nan 0.000 0.424 457 A N 3.473 126.325 122.820 0.053 0.000 2.475 457 A HA 0.823 5.145 4.320 0.003 0.000 0.301 457 A C -0.155 177.493 177.584 0.107 0.000 1.059 457 A CA -0.563 51.550 52.037 0.126 0.000 0.710 457 A CB 1.406 20.463 19.000 0.096 0.000 1.288 457 A HN 0.808 nan 8.150 nan 0.000 0.408 458 G N -0.105 108.796 108.800 0.169 0.000 2.664 458 G HA2 0.472 4.434 3.960 0.003 0.000 0.242 458 G HA3 0.472 4.434 3.960 0.003 0.000 0.242 458 G C -0.177 174.775 174.900 0.086 0.000 1.225 458 G CA -0.057 45.107 45.100 0.107 0.000 0.849 458 G HN 0.728 nan 8.290 nan 0.000 0.581 459 L N 0.000 121.264 121.223 0.068 0.000 2.949 459 L HA 0.000 4.342 4.340 0.003 0.000 0.249 459 L CA 0.000 54.885 54.840 0.074 0.000 0.813 459 L CB 0.000 42.094 42.059 0.058 0.000 0.961 459 L HN 0.000 nan 8.230 nan 0.000 0.502