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 3lwb_1_B DATA FIRST_RESID 10 DATA SEQUENCE RVRVAVVFXX XXXXHAISCV SAGSILRNLD SRRFDVIAVG ITPXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXVLES DATA SEQUENCE VDVVFPVLHX XXXXXXTIQG LLELAGVPYV GAGVLASAVG MDKEFTKKLL DATA SEQUENCE AADGLPVGAY AVLRPPRSTL HRQECERLGL PVFVKPARGG SSIGVSRVSS DATA SEQUENCE WDQLPAAVAR ARRHDPKVIV EAAISGRELE CGVLEMPDGT LEASTLGEIR DATA SEQUENCE VAGVRGREDS FYDFATKYLD DAAELDVPAK VDDQVAEAIR QLAIRAFAAI DATA SEQUENCE DCRGLARVDF FLTDDGPVIN EINTMPGFTT ISMYPRMWAA SGVDYPTLLA DATA SEQUENCE TMIETTLARG VGLH 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.295 176.300 -0.008 0.000 0.893 10 R CA 0.000 56.059 56.100 -0.068 0.000 0.921 10 R CB 0.000 30.272 30.300 -0.047 0.000 0.687 11 V N 2.737 122.656 119.914 0.009 0.000 2.493 11 V HA 0.527 4.660 4.120 0.021 0.000 0.292 11 V C 1.440 177.638 176.094 0.173 0.000 1.016 11 V CA 0.511 62.884 62.300 0.121 0.000 1.097 11 V CB 0.718 32.685 31.823 0.240 0.000 0.947 11 V HN 1.202 nan 8.190 nan 0.000 0.479 12 R N 4.427 124.994 120.500 0.111 0.000 2.347 12 R HA 0.612 4.965 4.340 0.021 0.000 0.304 12 R C -0.666 175.693 176.300 0.099 0.000 1.072 12 R CA -0.221 55.938 56.100 0.097 0.000 0.980 12 R CB 0.692 31.030 30.300 0.063 0.000 0.986 12 R HN 0.634 nan 8.270 nan 0.000 0.448 13 V N 0.803 120.773 119.914 0.093 0.000 2.709 13 V HA 0.833 4.966 4.120 0.021 0.000 0.308 13 V C -0.161 175.970 176.094 0.062 0.000 1.062 13 V CA -0.944 61.398 62.300 0.070 0.000 0.901 13 V CB 2.050 33.894 31.823 0.036 0.000 1.003 13 V HN 1.175 nan 8.190 nan 0.000 0.425 14 A N 3.250 126.114 122.820 0.073 0.000 2.319 14 A HA 0.903 5.235 4.320 0.021 0.000 0.310 14 A C -0.404 177.245 177.584 0.108 0.000 1.152 14 A CA -0.422 51.662 52.037 0.077 0.000 0.783 14 A CB 1.286 20.326 19.000 0.066 0.000 1.184 14 A HN 1.606 nan 8.150 nan 0.000 0.474 15 V N 2.164 122.136 119.914 0.096 0.000 2.333 15 V HA 0.699 4.832 4.120 0.021 0.000 0.274 15 V C 0.252 176.476 176.094 0.217 0.000 1.028 15 V CA -0.148 62.218 62.300 0.110 0.000 0.851 15 V CB 0.903 32.704 31.823 -0.036 0.000 1.000 15 V HN 1.447 nan 8.190 nan 0.000 0.456 16 V N 5.212 125.250 119.914 0.206 0.000 2.532 16 V HA 0.959 5.092 4.120 0.021 0.000 0.295 16 V C -0.357 175.894 176.094 0.261 0.000 1.041 16 V CA -0.626 61.781 62.300 0.178 0.000 0.926 16 V CB 1.158 33.014 31.823 0.056 0.000 0.992 16 V HN 1.485 nan 8.190 nan 0.000 0.457 25 A N -0.286 122.572 122.820 0.063 0.000 2.263 25 A HA 0.639 4.972 4.320 0.021 0.000 0.200 25 A C 2.097 179.721 177.584 0.066 0.000 1.428 25 A CA 1.561 53.636 52.037 0.064 0.000 1.050 25 A CB -0.473 18.553 19.000 0.042 0.000 1.226 25 A HN 1.640 nan 8.150 nan 0.000 0.501 26 I N -0.550 120.060 120.570 0.067 0.000 3.059 26 I HA 0.417 4.599 4.170 0.021 0.000 0.270 26 I C 2.458 178.627 176.117 0.087 0.000 1.238 26 I CA 1.993 63.333 61.300 0.068 0.000 1.478 26 I CB -1.566 36.473 38.000 0.065 0.000 1.097 26 I HN 0.512 nan 8.210 nan 0.000 0.455 27 S N -0.462 115.307 115.700 0.116 0.000 2.387 27 S HA -0.213 4.270 4.470 0.021 0.000 0.226 27 S C 2.215 176.909 174.600 0.158 0.000 1.026 27 S CA 1.652 59.951 58.200 0.165 0.000 0.972 27 S CB -0.973 62.350 63.200 0.205 0.000 0.814 27 S HN 0.742 nan 8.310 nan 0.000 0.477 28 C N 0.597 119.996 119.300 0.164 0.000 2.432 28 C HA 0.131 4.604 4.460 0.021 0.000 0.277 28 C C 2.961 177.876 174.990 -0.125 0.000 1.249 28 C CA 0.753 59.791 59.018 0.033 0.000 1.725 28 C CB -1.260 26.554 27.740 0.123 0.000 2.028 28 C HN 0.627 nan 8.230 nan 0.000 0.477 29 V N 0.679 120.573 119.914 -0.032 0.000 2.295 29 V HA -0.221 3.912 4.120 0.021 0.000 0.246 29 V C 2.547 178.616 176.094 -0.043 0.000 1.049 29 V CA 3.020 65.298 62.300 -0.037 0.000 1.024 29 V CB -1.133 30.692 31.823 0.003 0.000 0.648 29 V HN 0.485 nan 8.190 nan 0.000 0.447 30 S N 0.098 115.801 115.700 0.004 0.000 2.359 30 S HA -0.196 4.287 4.470 0.021 0.000 0.222 30 S C 2.474 177.042 174.600 -0.054 0.000 1.038 30 S CA 1.944 60.172 58.200 0.048 0.000 1.051 30 S CB -0.625 62.657 63.200 0.137 0.000 0.944 30 S HN 1.151 nan 8.310 nan 0.000 0.433 31 A N 1.174 123.897 122.820 -0.162 0.000 1.997 31 A HA -0.077 4.256 4.320 0.021 0.000 0.221 31 A C 2.268 179.677 177.584 -0.292 0.000 1.172 31 A CA 2.041 53.889 52.037 -0.315 0.000 0.645 31 A CB -1.463 17.144 19.000 -0.656 0.000 0.813 31 A HN 0.565 nan 8.150 nan 0.000 0.454 32 G N -0.858 107.797 108.800 -0.242 0.000 2.433 32 G HA2 -0.035 3.938 3.960 0.021 0.000 0.216 32 G HA3 -0.035 3.938 3.960 0.021 0.000 0.216 32 G C 1.935 176.783 174.900 -0.086 0.000 1.186 32 G CA 1.826 46.826 45.100 -0.166 0.000 0.779 32 G HN 0.812 nan 8.290 nan 0.000 0.543 33 S N 0.986 116.665 115.700 -0.035 0.000 2.359 33 S HA -0.045 4.437 4.470 0.021 0.000 0.224 33 S C 2.233 176.912 174.600 0.131 0.000 1.035 33 S CA 1.519 59.754 58.200 0.058 0.000 1.018 33 S CB -0.370 62.864 63.200 0.058 0.000 0.876 33 S HN 0.331 nan 8.310 nan 0.000 0.448 34 I N 0.936 121.503 120.570 -0.004 0.000 2.208 34 I HA -0.231 3.951 4.170 0.021 0.000 0.245 34 I C 2.284 178.297 176.117 -0.173 0.000 1.097 34 I CA 0.964 62.145 61.300 -0.199 0.000 1.363 34 I CB -0.420 37.265 38.000 -0.526 0.000 1.051 34 I HN 0.350 nan 8.210 nan 0.000 0.413 35 L N 0.704 121.843 121.223 -0.140 0.000 1.989 35 L HA -0.276 4.077 4.340 0.021 0.000 0.211 35 L C 3.242 180.087 176.870 -0.043 0.000 1.071 35 L CA 2.076 56.858 54.840 -0.096 0.000 0.749 35 L CB -0.906 41.098 42.059 -0.091 0.000 0.890 35 L HN 0.255 nan 8.230 nan 0.000 0.431 36 R N 0.077 120.569 120.500 -0.014 0.000 2.237 36 R HA -0.099 4.254 4.340 0.021 0.000 0.219 36 R C 1.550 177.877 176.300 0.044 0.000 1.080 36 R CA 1.866 57.977 56.100 0.018 0.000 0.995 36 R CB -1.398 28.917 30.300 0.024 0.000 0.875 36 R HN 0.577 nan 8.270 nan 0.000 0.462 37 N N -0.778 117.948 118.700 0.044 0.000 2.294 37 N HA 0.177 4.929 4.740 0.021 0.000 0.186 37 N C -0.478 175.019 175.510 -0.023 0.000 1.107 37 N CA -0.418 52.664 53.050 0.054 0.000 0.884 37 N CB 0.633 39.219 38.487 0.165 0.000 1.030 37 N HN 0.136 nan 8.380 nan 0.000 0.482 38 L N 2.188 123.375 121.223 -0.061 0.000 2.456 38 L HA 0.049 4.401 4.340 0.021 0.000 0.277 38 L C 0.167 177.118 176.870 0.135 0.000 1.124 38 L CA 0.313 55.128 54.840 -0.042 0.000 0.880 38 L CB -0.233 41.740 42.059 -0.144 0.000 1.192 38 L HN 0.218 nan 8.230 nan 0.000 0.463 39 D N 2.414 122.956 120.400 0.236 0.000 2.518 39 D HA -0.140 4.513 4.640 0.021 0.000 0.270 39 D C 1.392 177.815 176.300 0.206 0.000 1.338 39 D CA 0.493 54.616 54.000 0.205 0.000 0.983 39 D CB 0.721 41.629 40.800 0.181 0.000 1.126 39 D HN 0.584 nan 8.370 nan 0.000 0.543 40 S N 3.374 119.144 115.700 0.117 0.000 2.402 40 S HA -0.287 4.196 4.470 0.021 0.000 0.233 40 S C 2.168 176.787 174.600 0.032 0.000 1.030 40 S CA 1.964 60.215 58.200 0.085 0.000 1.003 40 S CB -0.102 63.129 63.200 0.051 0.000 0.813 40 S HN 0.642 nan 8.310 nan 0.000 0.477 41 R N 0.575 121.074 120.500 -0.002 0.000 2.280 41 R HA 0.249 4.601 4.340 0.021 0.000 0.207 41 R C 2.215 178.435 176.300 -0.134 0.000 1.043 41 R CA 1.367 57.437 56.100 -0.049 0.000 1.006 41 R CB -0.909 29.367 30.300 -0.041 0.000 0.885 41 R HN 0.646 nan 8.270 nan 0.000 0.467 42 R N -2.231 118.130 120.500 -0.232 0.000 2.316 42 R HA 0.314 4.667 4.340 0.021 0.000 0.201 42 R C -0.840 174.950 176.300 -0.850 0.000 0.888 42 R CA 0.120 55.851 56.100 -0.615 0.000 1.041 42 R CB 0.682 30.446 30.300 -0.892 0.000 1.115 42 R HN 0.410 nan 8.270 nan 0.000 0.559 43 F N -0.325 119.622 119.950 -0.005 0.000 2.578 43 F HA 0.288 4.828 4.527 0.021 0.000 0.311 43 F C -0.551 175.249 175.800 0.000 0.000 1.094 43 F CA -1.533 56.466 58.000 -0.002 0.000 0.923 43 F CB 1.522 40.521 39.000 -0.001 0.000 1.230 43 F HN -0.251 nan 8.300 nan 0.000 0.450 44 D N 1.983 122.493 120.400 0.183 0.000 2.232 44 D HA 0.565 5.218 4.640 0.021 0.000 0.242 44 D C -1.208 175.158 176.300 0.110 0.000 1.093 44 D CA -0.090 53.976 54.000 0.111 0.000 0.845 44 D CB 1.565 42.407 40.800 0.071 0.000 1.124 44 D HN 0.249 nan 8.370 nan 0.000 0.467 45 V N 2.914 122.875 119.914 0.078 0.000 2.604 45 V HA 0.789 4.921 4.120 0.021 0.000 0.305 45 V C 0.532 176.650 176.094 0.040 0.000 1.043 45 V CA -0.853 61.478 62.300 0.053 0.000 0.888 45 V CB 1.367 33.207 31.823 0.027 0.000 0.995 45 V HN 0.602 nan 8.190 nan 0.000 0.429 46 I N 2.106 122.701 120.570 0.041 0.000 2.468 46 I HA 0.957 5.139 4.170 0.021 0.000 0.284 46 I C 0.340 176.493 176.117 0.061 0.000 1.038 46 I CA -0.794 60.534 61.300 0.046 0.000 1.083 46 I CB 1.068 39.096 38.000 0.047 0.000 1.223 46 I HN 0.992 nan 8.210 nan 0.000 0.443 47 A N 4.034 126.896 122.820 0.070 0.000 2.371 47 A HA 0.834 5.167 4.320 0.021 0.000 0.257 47 A C -0.170 177.543 177.584 0.214 0.000 1.089 47 A CA -0.402 51.714 52.037 0.131 0.000 0.794 47 A CB 0.775 19.824 19.000 0.083 0.000 1.029 47 A HN 1.896 nan 8.150 nan 0.000 0.488 48 V N 2.333 122.454 119.914 0.346 0.000 2.610 48 V HA 0.449 4.582 4.120 0.021 0.000 0.288 48 V C 0.813 176.796 176.094 -0.185 0.000 1.055 48 V CA 0.183 62.565 62.300 0.137 0.000 0.902 48 V CB 1.271 33.127 31.823 0.055 0.000 1.030 48 V HN 1.193 nan 8.190 nan 0.000 0.448 49 G N 3.274 111.780 108.800 -0.490 0.000 2.651 49 G HA2 0.624 4.597 3.960 0.021 0.000 0.207 49 G HA3 0.624 4.597 3.960 0.021 0.000 0.207 49 G C 0.169 174.896 174.900 -0.288 0.000 1.131 49 G CA 1.080 45.746 45.100 -0.722 0.000 0.816 49 G HN 1.150 nan 8.290 nan 0.000 0.534 50 I N -1.462 119.012 120.570 -0.158 0.000 3.229 50 I HA 0.727 4.910 4.170 0.021 0.000 0.313 50 I C 0.413 176.519 176.117 -0.018 0.000 1.317 50 I CA -0.747 60.510 61.300 -0.073 0.000 0.940 50 I CB 0.804 38.768 38.000 -0.060 0.000 1.315 50 I HN -0.054 nan 8.210 nan 0.000 0.484 51 T N 3.051 117.603 114.554 -0.002 0.000 2.848 51 T HA 0.534 4.896 4.350 0.021 0.000 0.340 51 T C -0.541 174.179 174.700 0.033 0.000 1.091 51 T CA 2.141 64.253 62.100 0.019 0.000 1.123 51 T CB -0.486 68.390 68.868 0.014 0.000 1.042 51 T HN 2.638 nan 8.240 nan 0.000 0.544 107 L N -1.717 119.507 121.223 0.002 0.000 0.584 107 L HA 0.538 4.890 4.340 0.021 0.000 0.356 107 L C 0.285 177.161 176.870 0.009 0.000 0.992 107 L CA 1.740 56.585 54.840 0.007 0.000 1.223 107 L CB -1.980 40.085 42.059 0.010 0.000 0.009 107 L HN 3.369 nan 8.230 nan 0.000 0.091 108 E N 0.821 121.029 120.200 0.014 0.000 8.995 108 E HA 0.289 4.651 4.350 0.021 0.000 0.298 108 E C 1.138 177.749 176.600 0.019 0.000 1.447 108 E CA 3.404 59.813 56.400 0.016 0.000 2.523 108 E CB -1.242 28.465 29.700 0.012 0.000 1.154 108 E HN 3.128 nan 8.360 nan 0.000 0.427 109 S N -3.650 112.062 115.700 0.019 0.000 2.884 109 S HA -0.298 4.185 4.470 0.021 0.000 0.274 109 S C 0.356 174.973 174.600 0.028 0.000 1.308 109 S CA 1.725 59.938 58.200 0.021 0.000 1.340 109 S CB -2.133 61.079 63.200 0.019 0.000 1.657 109 S HN 1.720 nan 8.310 nan 0.000 0.699 110 V N 1.002 120.934 119.914 0.031 0.000 2.680 110 V HA 0.667 4.799 4.120 0.021 0.000 0.309 110 V C -0.176 175.943 176.094 0.041 0.000 1.052 110 V CA -0.211 62.113 62.300 0.040 0.000 0.908 110 V CB 2.031 33.880 31.823 0.042 0.000 1.001 110 V HN 0.297 nan 8.190 nan 0.000 0.431 111 D N 3.759 124.188 120.400 0.049 0.000 2.389 111 D HA 0.240 4.893 4.640 0.021 0.000 0.206 111 D C -0.007 176.320 176.300 0.045 0.000 1.055 111 D CA 0.807 54.834 54.000 0.045 0.000 0.856 111 D CB 1.548 42.378 40.800 0.048 0.000 0.957 111 D HN 0.328 nan 8.370 nan 0.000 0.509 112 V N 0.529 120.473 119.914 0.050 0.000 3.098 112 V HA 0.338 4.470 4.120 0.021 0.000 0.294 112 V C -1.770 174.356 176.094 0.053 0.000 1.351 112 V CA -0.729 61.595 62.300 0.040 0.000 0.999 112 V CB 2.515 34.346 31.823 0.012 0.000 1.104 112 V HN -0.213 nan 8.190 nan 0.000 0.438 113 V N 5.685 125.640 119.914 0.068 0.000 2.628 113 V HA 0.543 4.676 4.120 0.021 0.000 0.306 113 V C -0.659 175.495 176.094 0.099 0.000 1.045 113 V CA -0.419 61.937 62.300 0.093 0.000 0.905 113 V CB 1.835 33.709 31.823 0.084 0.000 0.997 113 V HN 0.779 nan 8.190 nan 0.000 0.436 114 F N 6.498 126.443 119.950 -0.008 0.000 2.310 114 F HA 0.465 5.005 4.527 0.021 0.000 0.365 114 F C -2.073 173.718 175.800 -0.014 0.000 1.080 114 F CA -2.475 55.495 58.000 -0.050 0.000 1.187 114 F CB 1.462 40.377 39.000 -0.143 0.000 1.465 114 F HN 0.355 nan 8.300 nan 0.000 0.496 115 P HA 0.140 nan 4.420 nan 0.000 0.276 115 P C -0.109 177.354 177.300 0.271 0.000 1.230 115 P CA 0.265 63.487 63.100 0.203 0.000 0.776 115 P CB 1.794 33.561 31.700 0.111 0.000 0.888 116 V N 1.108 121.155 119.914 0.222 0.000 2.841 116 V HA 0.583 4.716 4.120 0.021 0.000 0.363 116 V C 0.112 176.319 176.094 0.187 0.000 1.330 116 V CA 0.150 62.589 62.300 0.231 0.000 1.207 116 V CB 0.372 32.310 31.823 0.192 0.000 1.318 116 V HN 0.644 nan 8.190 nan 0.000 0.603 117 L N -2.820 118.486 121.223 0.139 0.000 2.838 117 L HA 0.984 5.336 4.340 0.021 0.000 0.266 117 L C 0.547 177.451 176.870 0.056 0.000 1.040 117 L CA 0.037 54.934 54.840 0.095 0.000 0.906 117 L CB 0.529 42.636 42.059 0.080 0.000 1.501 117 L HN 2.573 nan 8.230 nan 0.000 0.407 127 I N 1.545 122.072 120.570 -0.072 0.000 2.286 127 I HA 0.032 4.215 4.170 0.021 0.000 0.248 127 I C 2.522 178.527 176.117 -0.187 0.000 1.115 127 I CA 2.952 64.190 61.300 -0.103 0.000 1.392 127 I CB -1.444 36.508 38.000 -0.080 0.000 1.065 127 I HN 0.567 nan 8.210 nan 0.000 0.418 128 Q N 1.042 120.726 119.800 -0.193 0.000 1.993 128 Q HA 0.006 4.359 4.340 0.021 0.000 0.202 128 Q C 2.538 178.389 176.000 -0.249 0.000 0.984 128 Q CA 2.097 57.703 55.803 -0.329 0.000 0.837 128 Q CB -1.107 27.563 28.738 -0.112 0.000 0.902 128 Q HN 0.723 nan 8.270 nan 0.000 0.423 129 G N 0.570 109.305 108.800 -0.108 0.000 2.475 129 G HA2 -0.287 3.686 3.960 0.021 0.000 0.220 129 G HA3 -0.287 3.686 3.960 0.021 0.000 0.220 129 G C 1.386 176.241 174.900 -0.076 0.000 1.125 129 G CA 0.884 45.948 45.100 -0.059 0.000 0.755 129 G HN 0.293 nan 8.290 nan 0.000 0.565 130 L N -0.700 120.460 121.223 -0.105 0.000 2.027 130 L HA 0.044 4.396 4.340 0.021 0.000 0.206 130 L C 2.725 179.529 176.870 -0.109 0.000 1.074 130 L CA 0.836 55.621 54.840 -0.092 0.000 0.745 130 L CB -0.155 41.849 42.059 -0.091 0.000 0.898 130 L HN 0.162 nan 8.230 nan 0.000 0.433 131 L N -0.192 120.912 121.223 -0.199 0.000 2.083 131 L HA -0.198 4.154 4.340 0.021 0.000 0.209 131 L C 2.590 179.408 176.870 -0.086 0.000 1.083 131 L CA 1.499 56.217 54.840 -0.204 0.000 0.752 131 L CB -0.829 40.956 42.059 -0.457 0.000 0.899 131 L HN 0.261 nan 8.230 nan 0.000 0.433 132 E N -0.623 119.534 120.200 -0.073 0.000 2.070 132 E HA -0.257 4.106 4.350 0.021 0.000 0.197 132 E C 2.098 178.716 176.600 0.030 0.000 1.004 132 E CA 1.186 57.624 56.400 0.063 0.000 0.805 132 E CB -0.426 29.315 29.700 0.067 0.000 0.744 132 E HN 0.258 nan 8.360 nan 0.000 0.451 133 L N 0.305 121.525 121.223 -0.004 0.000 2.465 133 L HA 0.023 4.375 4.340 0.021 0.000 0.224 133 L C 1.775 178.643 176.870 -0.002 0.000 1.145 133 L CA 1.136 55.974 54.840 -0.003 0.000 0.834 133 L CB -0.355 41.696 42.059 -0.014 0.000 0.944 133 L HN -0.018 nan 8.230 nan 0.000 0.451 134 A N -1.394 121.424 122.820 -0.004 0.000 2.267 134 A HA 0.461 4.793 4.320 0.021 0.000 0.213 134 A C 1.672 179.266 177.584 0.018 0.000 1.192 134 A CA 0.443 52.480 52.037 0.001 0.000 0.851 134 A CB -0.546 18.448 19.000 -0.011 0.000 0.881 134 A HN 0.634 nan 8.150 nan 0.000 0.494 135 G N -0.673 108.147 108.800 0.032 0.000 2.203 135 G HA2 -0.196 3.777 3.960 0.021 0.000 0.263 135 G HA3 -0.196 3.777 3.960 0.021 0.000 0.263 135 G C 0.073 175.004 174.900 0.052 0.000 1.012 135 G CA 0.431 45.556 45.100 0.041 0.000 0.749 135 G HN 0.971 nan 8.290 nan 0.000 0.512 136 V N 0.309 120.266 119.914 0.072 0.000 2.435 136 V HA 0.520 4.653 4.120 0.021 0.000 0.290 136 V C -1.726 174.460 176.094 0.153 0.000 1.030 136 V CA -2.153 60.197 62.300 0.083 0.000 0.881 136 V CB 1.825 33.685 31.823 0.062 0.000 0.983 136 V HN 0.100 nan 8.190 nan 0.000 0.445 137 P HA 0.278 nan 4.420 nan 0.000 0.267 137 P C -1.295 176.068 177.300 0.104 0.000 1.205 137 P CA 0.203 63.334 63.100 0.051 0.000 0.765 137 P CB 0.021 31.716 31.700 -0.008 0.000 0.828 138 Y N -0.078 120.179 120.300 -0.072 0.000 2.553 138 Y HA 0.632 5.194 4.550 0.020 0.000 0.347 138 Y C -0.875 174.923 175.900 -0.170 0.000 1.019 138 Y CA -1.833 56.201 58.100 -0.111 0.000 1.032 138 Y CB 0.663 39.079 38.460 -0.073 0.000 1.284 138 Y HN -0.017 nan 8.280 nan 0.000 0.466 139 V N 3.306 123.083 119.914 -0.229 0.000 2.572 139 V HA 0.630 4.763 4.120 0.021 0.000 0.291 139 V C 0.697 176.680 176.094 -0.184 0.000 1.039 139 V CA 0.927 62.986 62.300 -0.402 0.000 1.055 139 V CB -0.011 31.239 31.823 -0.954 0.000 0.969 139 V HN 1.377 nan 8.190 nan 0.000 0.482 140 G N 3.545 112.244 108.800 -0.169 0.000 2.423 140 G HA2 0.322 4.294 3.960 0.021 0.000 0.684 140 G HA3 0.322 4.294 3.960 0.021 0.000 0.684 140 G C 0.409 175.282 174.900 -0.046 0.000 1.309 140 G CA -0.187 44.895 45.100 -0.030 0.000 0.950 140 G HN 1.126 nan 8.290 nan 0.000 0.587 141 A N -0.447 122.371 122.820 -0.004 0.000 1.940 141 A HA 0.490 4.823 4.320 0.021 0.000 0.219 141 A C 2.715 180.311 177.584 0.019 0.000 1.176 141 A CA 2.895 54.906 52.037 -0.045 0.000 0.631 141 A CB -1.035 17.923 19.000 -0.070 0.000 0.814 141 A HN 3.018 nan 8.150 nan 0.000 0.446 142 G N -2.152 106.746 108.800 0.163 0.000 2.698 142 G HA2 -0.118 3.855 3.960 0.021 0.000 0.233 142 G HA3 -0.118 3.855 3.960 0.021 0.000 0.233 142 G C 0.913 175.883 174.900 0.116 0.000 1.352 142 G CA 1.113 46.373 45.100 0.266 0.000 0.879 142 G HN 1.601 nan 8.290 nan 0.000 0.567 143 V N -1.324 118.655 119.914 0.110 0.000 2.227 143 V HA -0.267 3.866 4.120 0.021 0.000 0.249 143 V C 2.843 178.961 176.094 0.040 0.000 1.046 143 V CA 2.935 65.269 62.300 0.056 0.000 1.015 143 V CB -1.369 30.484 31.823 0.050 0.000 0.648 143 V HN 0.848 nan 8.190 nan 0.000 0.460 144 L N 0.282 121.528 121.223 0.039 0.000 2.017 144 L HA -0.069 4.284 4.340 0.021 0.000 0.208 144 L C 2.997 179.888 176.870 0.034 0.000 1.073 144 L CA 1.770 56.636 54.840 0.044 0.000 0.745 144 L CB -0.841 41.240 42.059 0.037 0.000 0.894 144 L HN 0.549 nan 8.230 nan 0.000 0.432 145 A N -0.923 121.898 122.820 0.002 0.000 1.902 145 A HA -0.206 4.127 4.320 0.021 0.000 0.217 145 A C 2.469 180.041 177.584 -0.020 0.000 1.181 145 A CA 2.092 54.108 52.037 -0.034 0.000 0.623 145 A CB -0.618 18.326 19.000 -0.094 0.000 0.818 145 A HN 0.394 nan 8.150 nan 0.000 0.443 146 S N -0.161 115.538 115.700 -0.001 0.000 2.359 146 S HA -0.082 4.401 4.470 0.021 0.000 0.224 146 S C 2.339 176.941 174.600 0.004 0.000 1.035 146 S CA 1.289 59.492 58.200 0.005 0.000 1.018 146 S CB -0.522 62.691 63.200 0.023 0.000 0.876 146 S HN 0.816 nan 8.310 nan 0.000 0.448 147 A N 1.130 123.959 122.820 0.014 0.000 1.908 147 A HA -0.074 4.259 4.320 0.021 0.000 0.218 147 A C 2.349 179.944 177.584 0.019 0.000 1.181 147 A CA 1.670 53.710 52.037 0.005 0.000 0.627 147 A CB -0.968 18.044 19.000 0.020 0.000 0.818 147 A HN 0.347 nan 8.150 nan 0.000 0.445 148 V N -0.082 119.879 119.914 0.078 0.000 2.295 148 V HA -0.192 3.941 4.120 0.021 0.000 0.246 148 V C 2.801 178.924 176.094 0.048 0.000 1.049 148 V CA 2.017 64.395 62.300 0.129 0.000 1.024 148 V CB -1.499 30.389 31.823 0.108 0.000 0.648 148 V HN 0.615 nan 8.190 nan 0.000 0.447 149 G N -1.206 107.597 108.800 0.005 0.000 2.470 149 G HA2 -0.271 3.701 3.960 0.021 0.000 0.220 149 G HA3 -0.271 3.701 3.960 0.021 0.000 0.220 149 G C 1.503 176.392 174.900 -0.018 0.000 1.121 149 G CA 0.909 46.000 45.100 -0.016 0.000 0.766 149 G HN 0.453 nan 8.290 nan 0.000 0.553 150 M N 0.134 119.721 119.600 -0.022 0.000 2.509 150 M HA 0.229 4.722 4.480 0.021 0.000 0.250 150 M C 0.097 176.362 176.300 -0.058 0.000 1.132 150 M CA 0.270 55.549 55.300 -0.035 0.000 1.080 150 M CB 0.642 33.220 32.600 -0.036 0.000 1.408 150 M HN -0.057 nan 8.290 nan 0.000 0.484 151 D N 0.187 120.548 120.400 -0.065 0.000 2.427 151 D HA 0.134 4.787 4.640 0.021 0.000 0.226 151 D C 0.318 176.587 176.300 -0.053 0.000 1.076 151 D CA 0.070 54.004 54.000 -0.110 0.000 0.849 151 D CB 0.965 41.604 40.800 -0.268 0.000 1.052 151 D HN 0.134 nan 8.370 nan 0.000 0.515 152 K N 2.203 122.563 120.400 -0.065 0.000 2.103 152 K HA -0.174 4.159 4.320 0.021 0.000 0.207 152 K C 1.644 178.170 176.600 -0.123 0.000 1.048 152 K CA 0.982 57.222 56.287 -0.078 0.000 0.930 152 K CB 0.339 32.795 32.500 -0.072 0.000 0.716 152 K HN 0.518 nan 8.250 nan 0.000 0.444 153 E N 0.324 120.483 120.200 -0.069 0.000 2.028 153 E HA -0.164 4.199 4.350 0.021 0.000 0.190 153 E C 1.774 178.451 176.600 0.129 0.000 0.984 153 E CA 0.920 57.297 56.400 -0.038 0.000 0.800 153 E CB -0.005 29.776 29.700 0.136 0.000 0.758 153 E HN 0.127 nan 8.360 nan 0.000 0.448 154 F N 1.660 121.566 119.950 -0.073 0.000 2.126 154 F HA -0.178 4.355 4.527 0.010 0.000 0.299 154 F C 2.645 178.403 175.800 -0.070 0.000 1.096 154 F CA 1.516 59.487 58.000 -0.049 0.000 1.255 154 F CB -1.183 37.798 39.000 -0.033 0.000 0.997 154 F HN 0.078 nan 8.300 nan 0.000 0.479 155 T N 0.152 114.766 114.554 0.100 0.000 2.635 155 T HA -0.223 4.139 4.350 0.021 0.000 0.267 155 T C 2.059 176.731 174.700 -0.047 0.000 1.040 155 T CA 1.768 63.870 62.100 0.003 0.000 1.156 155 T CB -0.213 68.637 68.868 -0.029 0.000 0.863 155 T HN 0.215 nan 8.240 nan 0.000 0.430 156 K N 0.784 121.105 120.400 -0.132 0.000 2.097 156 K HA -0.042 4.291 4.320 0.021 0.000 0.205 156 K C 2.422 179.000 176.600 -0.037 0.000 1.050 156 K CA 0.992 57.179 56.287 -0.167 0.000 0.938 156 K CB -0.103 32.091 32.500 -0.511 0.000 0.718 156 K HN 0.287 nan 8.250 nan 0.000 0.442 157 K N 1.128 121.521 120.400 -0.011 0.000 1.978 157 K HA -0.123 4.209 4.320 0.021 0.000 0.214 157 K C 2.136 178.739 176.600 0.005 0.000 1.049 157 K CA 1.450 57.768 56.287 0.053 0.000 0.939 157 K CB -0.262 32.240 32.500 0.004 0.000 0.721 157 K HN 0.043 nan 8.250 nan 0.000 0.441 158 L N 0.694 121.896 121.223 -0.035 0.000 2.131 158 L HA -0.201 4.151 4.340 0.021 0.000 0.210 158 L C 2.265 179.129 176.870 -0.009 0.000 1.092 158 L CA 0.464 55.280 54.840 -0.039 0.000 0.759 158 L CB -0.338 41.687 42.059 -0.056 0.000 0.903 158 L HN 0.156 nan 8.230 nan 0.000 0.435 159 L N -0.011 121.211 121.223 -0.002 0.000 2.027 159 L HA -0.111 4.242 4.340 0.021 0.000 0.206 159 L C 2.785 179.674 176.870 0.032 0.000 1.074 159 L CA 2.055 56.902 54.840 0.012 0.000 0.745 159 L CB -1.285 40.775 42.059 0.001 0.000 0.898 159 L HN 0.150 nan 8.230 nan 0.000 0.433 160 A N -0.846 122.001 122.820 0.045 0.000 2.019 160 A HA -0.124 4.208 4.320 0.021 0.000 0.219 160 A C 2.473 180.083 177.584 0.044 0.000 1.164 160 A CA 1.568 53.642 52.037 0.061 0.000 0.644 160 A CB -0.794 18.265 19.000 0.098 0.000 0.805 160 A HN 0.401 nan 8.150 nan 0.000 0.449 161 A N 0.077 122.914 122.820 0.029 0.000 1.908 161 A HA -0.172 4.161 4.320 0.021 0.000 0.218 161 A C 1.395 178.990 177.584 0.019 0.000 1.181 161 A CA 1.842 53.889 52.037 0.016 0.000 0.627 161 A CB -0.466 18.531 19.000 -0.004 0.000 0.818 161 A HN 0.398 nan 8.150 nan 0.000 0.445 162 D N -1.202 119.212 120.400 0.023 0.000 2.336 162 D HA 0.352 5.005 4.640 0.021 0.000 0.228 162 D C 1.158 177.480 176.300 0.037 0.000 1.120 162 D CA 0.947 54.964 54.000 0.029 0.000 0.839 162 D CB -0.203 40.617 40.800 0.032 0.000 0.932 162 D HN 0.583 nan 8.370 nan 0.000 0.509 163 G N 0.547 109.370 108.800 0.038 0.000 2.160 163 G HA2 -0.296 3.677 3.960 0.021 0.000 0.251 163 G HA3 -0.296 3.677 3.960 0.021 0.000 0.251 163 G C 0.214 175.146 174.900 0.054 0.000 1.008 163 G CA -0.034 45.092 45.100 0.043 0.000 0.724 163 G HN 0.355 nan 8.290 nan 0.000 0.514 164 L N 0.664 121.922 121.223 0.058 0.000 2.399 164 L HA 0.534 4.887 4.340 0.021 0.000 0.266 164 L C -1.724 175.192 176.870 0.076 0.000 1.114 164 L CA -2.284 52.600 54.840 0.073 0.000 0.804 164 L CB 0.974 43.075 42.059 0.070 0.000 1.146 164 L HN -0.065 nan 8.230 nan 0.000 0.451 165 P HA 0.244 nan 4.420 nan 0.000 0.293 165 P C -1.004 176.351 177.300 0.091 0.000 1.313 165 P CA -0.303 62.854 63.100 0.095 0.000 0.787 165 P CB 1.251 33.020 31.700 0.114 0.000 0.910 166 V N 0.639 120.606 119.914 0.088 0.000 3.074 166 V HA 0.933 5.066 4.120 0.021 0.000 0.314 166 V C 0.334 176.492 176.094 0.107 0.000 1.117 166 V CA -1.076 61.275 62.300 0.085 0.000 1.014 166 V CB 1.496 33.361 31.823 0.070 0.000 1.057 166 V HN 0.577 nan 8.190 nan 0.000 0.438 167 G N 0.245 109.107 108.800 0.104 0.000 2.569 167 G HA2 0.583 4.555 3.960 0.021 0.000 0.249 167 G HA3 0.583 4.555 3.960 0.021 0.000 0.249 167 G C 0.196 175.204 174.900 0.179 0.000 1.216 167 G CA -0.132 45.033 45.100 0.107 0.000 0.845 167 G HN 1.653 nan 8.290 nan 0.000 0.568 168 A N 0.324 123.227 122.820 0.138 0.000 2.445 168 A HA 0.629 4.961 4.320 0.021 0.000 0.242 168 A C -0.398 177.322 177.584 0.227 0.000 1.075 168 A CA 0.149 52.272 52.037 0.142 0.000 0.777 168 A CB -0.024 19.012 19.000 0.060 0.000 1.013 168 A HN 1.574 nan 8.150 nan 0.000 0.493 169 Y N -2.041 118.283 120.300 0.040 0.000 2.689 169 Y HA 0.761 5.324 4.550 0.020 0.000 0.333 169 Y C -0.541 175.390 175.900 0.052 0.000 1.208 169 Y CA -0.973 57.155 58.100 0.048 0.000 1.055 169 Y CB 0.756 39.246 38.460 0.050 0.000 1.304 169 Y HN 1.191 nan 8.280 nan 0.000 0.455 170 A N 0.944 123.806 122.820 0.070 0.000 2.539 170 A HA 0.821 5.153 4.320 0.021 0.000 0.296 170 A C -2.078 175.604 177.584 0.163 0.000 1.073 170 A CA -0.809 51.221 52.037 -0.012 0.000 0.700 170 A CB 1.685 20.680 19.000 -0.008 0.000 1.296 170 A HN 0.917 nan 8.150 nan 0.000 0.405 171 V N 1.452 121.447 119.914 0.134 0.000 2.555 171 V HA 0.532 4.665 4.120 0.021 0.000 0.302 171 V C -0.643 175.497 176.094 0.077 0.000 1.038 171 V CA -0.353 62.036 62.300 0.148 0.000 0.887 171 V CB 1.480 33.420 31.823 0.195 0.000 0.991 171 V HN 0.712 nan 8.190 nan 0.000 0.434 172 L N 5.521 126.780 121.223 0.059 0.000 2.319 172 L HA 0.633 4.986 4.340 0.021 0.000 0.281 172 L C -0.032 176.855 176.870 0.028 0.000 1.005 172 L CA -0.402 54.453 54.840 0.027 0.000 0.828 172 L CB 1.463 43.530 42.059 0.013 0.000 1.227 172 L HN 0.563 nan 8.230 nan 0.000 0.415 173 R N 3.278 123.793 120.500 0.025 0.000 2.589 173 R HA 0.526 4.879 4.340 0.021 0.000 0.293 173 R C -2.530 173.778 176.300 0.013 0.000 0.963 173 R CA -2.000 54.113 56.100 0.022 0.000 0.905 173 R CB 1.297 31.616 30.300 0.033 0.000 1.144 173 R HN 0.245 nan 8.270 nan 0.000 0.459 174 P HA -0.009 nan 4.420 nan 0.000 0.266 174 P C -1.874 175.431 177.300 0.008 0.000 1.193 174 P CA -0.644 62.459 63.100 0.005 0.000 0.770 174 P CB 0.270 31.972 31.700 0.003 0.000 0.836 175 P HA 0.154 nan 4.420 nan 0.000 0.257 175 P C 0.137 177.434 177.300 -0.006 0.000 1.325 175 P CA 0.140 63.240 63.100 0.000 0.000 0.850 175 P CB 0.406 32.107 31.700 0.002 0.000 1.324 176 R N 0.344 120.839 120.500 -0.009 0.000 2.389 176 R HA 0.354 4.706 4.340 0.021 0.000 0.295 176 R C 0.399 176.680 176.300 -0.031 0.000 1.075 176 R CA 0.222 56.304 56.100 -0.029 0.000 1.005 176 R CB 0.395 30.668 30.300 -0.044 0.000 0.987 176 R HN -0.130 nan 8.270 nan 0.000 0.452 177 S N 0.993 116.669 115.700 -0.040 0.000 2.589 177 S HA 0.084 4.566 4.470 0.021 0.000 0.235 177 S C -0.360 174.213 174.600 -0.044 0.000 1.051 177 S CA -0.107 58.077 58.200 -0.027 0.000 0.978 177 S CB 1.120 64.314 63.200 -0.011 0.000 0.929 177 S HN 0.628 nan 8.310 nan 0.000 0.523 178 T N 3.061 117.565 114.554 -0.083 0.000 2.767 178 T HA 0.503 4.866 4.350 0.021 0.000 0.284 178 T C -0.173 174.398 174.700 -0.216 0.000 0.973 178 T CA -0.294 61.740 62.100 -0.111 0.000 0.996 178 T CB 0.961 69.772 68.868 -0.095 0.000 0.927 178 T HN 0.135 nan 8.240 nan 0.000 0.456 179 L N 3.859 124.964 121.223 -0.195 0.000 2.439 179 L HA 0.246 4.598 4.340 0.021 0.000 0.269 179 L C 0.995 177.684 176.870 -0.302 0.000 1.179 179 L CA -0.758 53.926 54.840 -0.260 0.000 0.828 179 L CB 0.355 42.295 42.059 -0.197 0.000 1.106 179 L HN 0.591 nan 8.230 nan 0.000 0.467 180 H N 2.279 121.279 119.070 -0.117 0.000 2.607 180 H HA 0.061 4.621 4.556 0.008 0.000 0.367 180 H C 0.771 175.995 175.328 -0.173 0.000 1.181 180 H CA -0.192 55.783 56.048 -0.121 0.000 1.402 180 H CB 0.860 30.569 29.762 -0.088 0.000 1.474 180 H HN 0.530 nan 8.280 nan 0.000 0.596 181 R N 1.345 121.831 120.500 -0.023 0.000 2.117 181 R HA -0.225 4.128 4.340 0.021 0.000 0.243 181 R C 2.105 178.347 176.300 -0.098 0.000 1.143 181 R CA 1.989 58.020 56.100 -0.113 0.000 0.968 181 R CB -0.299 29.951 30.300 -0.083 0.000 0.863 181 R HN 0.789 nan 8.270 nan 0.000 0.444 182 Q N 0.941 120.714 119.800 -0.045 0.000 2.230 182 Q HA -0.129 4.223 4.340 0.021 0.000 0.202 182 Q C 1.770 177.743 176.000 -0.044 0.000 0.963 182 Q CA 1.635 57.411 55.803 -0.044 0.000 0.866 182 Q CB -0.390 28.322 28.738 -0.043 0.000 0.931 182 Q HN 0.734 nan 8.270 nan 0.000 0.452 183 E N -0.468 119.710 120.200 -0.038 0.000 2.072 183 E HA -0.092 4.270 4.350 0.021 0.000 0.190 183 E C 2.272 178.825 176.600 -0.079 0.000 0.982 183 E CA 1.077 57.447 56.400 -0.049 0.000 0.803 183 E CB -0.235 29.442 29.700 -0.038 0.000 0.755 183 E HN 0.720 nan 8.360 nan 0.000 0.453 184 C N 0.883 120.054 119.300 -0.215 0.000 2.432 184 C HA -0.123 4.350 4.460 0.021 0.000 0.277 184 C C 2.617 177.582 174.990 -0.042 0.000 1.249 184 C CA 0.904 59.705 59.018 -0.363 0.000 1.725 184 C CB -0.678 26.548 27.740 -0.857 0.000 2.028 184 C HN 0.483 nan 8.230 nan 0.000 0.477 185 E N 1.213 121.378 120.200 -0.058 0.000 2.049 185 E HA -0.245 4.117 4.350 0.021 0.000 0.198 185 E C 2.390 179.013 176.600 0.038 0.000 1.007 185 E CA 1.674 58.077 56.400 0.005 0.000 0.809 185 E CB -0.417 29.270 29.700 -0.020 0.000 0.749 185 E HN 0.537 nan 8.360 nan 0.000 0.450 186 R N -0.129 120.381 120.500 0.018 0.000 2.115 186 R HA -0.064 4.289 4.340 0.021 0.000 0.230 186 R C 2.410 178.741 176.300 0.051 0.000 1.111 186 R CA 1.190 57.302 56.100 0.020 0.000 0.976 186 R CB -0.259 30.034 30.300 -0.012 0.000 0.870 186 R HN 0.306 nan 8.270 nan 0.000 0.445 187 L N 0.208 121.488 121.223 0.095 0.000 2.109 187 L HA 0.056 4.409 4.340 0.021 0.000 0.207 187 L C 1.412 178.358 176.870 0.126 0.000 1.086 187 L CA 0.814 55.733 54.840 0.133 0.000 0.760 187 L CB -0.703 41.498 42.059 0.236 0.000 0.910 187 L HN 0.547 nan 8.230 nan 0.000 0.437 188 G N 0.166 109.083 108.800 0.195 0.000 2.692 188 G HA2 -0.278 3.694 3.960 0.021 0.000 0.248 188 G HA3 -0.278 3.694 3.960 0.021 0.000 0.248 188 G C -0.753 174.160 174.900 0.023 0.000 1.340 188 G CA -0.358 44.825 45.100 0.138 0.000 0.896 188 G HN 0.124 nan 8.290 nan 0.000 0.570 189 L N 0.730 121.878 121.223 -0.125 0.000 2.371 189 L HA 0.598 4.951 4.340 0.021 0.000 0.262 189 L C -1.773 174.960 176.870 -0.229 0.000 1.006 189 L CA -1.859 52.794 54.840 -0.311 0.000 0.818 189 L CB 2.274 44.057 42.059 -0.460 0.000 1.354 189 L HN 0.683 nan 8.230 nan 0.000 0.415 190 P HA 0.458 nan 4.420 nan 0.000 0.276 190 P C -1.207 175.854 177.300 -0.398 0.000 1.261 190 P CA -0.485 62.413 63.100 -0.337 0.000 0.800 190 P CB 1.138 32.672 31.700 -0.277 0.000 1.066 191 V N -3.197 116.495 119.914 -0.371 0.000 3.001 191 V HA 0.649 4.782 4.120 0.021 0.000 0.314 191 V C -0.893 175.079 176.094 -0.203 0.000 1.099 191 V CA -1.079 61.030 62.300 -0.318 0.000 0.989 191 V CB 1.711 33.472 31.823 -0.103 0.000 1.040 191 V HN 0.366 nan 8.190 nan 0.000 0.434 192 F N 1.038 121.012 119.950 0.040 0.000 2.444 192 F HA 0.705 5.244 4.527 0.020 0.000 0.342 192 F C -0.041 175.778 175.800 0.032 0.000 1.121 192 F CA -1.174 56.865 58.000 0.065 0.000 0.997 192 F CB 2.203 41.233 39.000 0.050 0.000 1.130 192 F HN 0.331 nan 8.300 nan 0.000 0.454 193 V N 4.151 124.200 119.914 0.225 0.000 2.394 193 V HA 0.441 4.574 4.120 0.021 0.000 0.282 193 V C -0.342 175.785 176.094 0.055 0.000 1.031 193 V CA -0.833 61.543 62.300 0.127 0.000 0.881 193 V CB 1.288 33.181 31.823 0.117 0.000 0.982 193 V HN 0.720 nan 8.190 nan 0.000 0.451 194 K N 4.801 125.223 120.400 0.036 0.000 2.508 194 K HA 0.529 4.862 4.320 0.021 0.000 0.260 194 K C -3.085 173.519 176.600 0.006 0.000 0.949 194 K CA -2.089 54.187 56.287 -0.018 0.000 0.834 194 K CB 2.417 34.882 32.500 -0.058 0.000 1.365 194 K HN 0.261 nan 8.250 nan 0.000 0.437 195 P HA -0.052 nan 4.420 nan 0.000 0.265 195 P C 0.022 177.314 177.300 -0.012 0.000 1.193 195 P CA 0.218 63.326 63.100 0.013 0.000 0.765 195 P CB 0.769 32.482 31.700 0.023 0.000 0.823 196 A N 3.957 126.770 122.820 -0.012 0.000 1.972 196 A HA -0.139 4.194 4.320 0.021 0.000 0.219 196 A C 1.125 178.675 177.584 -0.057 0.000 1.169 196 A CA 1.537 53.554 52.037 -0.033 0.000 0.635 196 A CB -0.402 18.574 19.000 -0.040 0.000 0.810 196 A HN 0.446 nan 8.150 nan 0.000 0.446 197 R N -2.742 117.726 120.500 -0.054 0.000 2.797 197 R HA 0.589 4.941 4.340 0.021 0.000 0.251 197 R C 0.641 176.915 176.300 -0.044 0.000 1.107 197 R CA 0.630 56.694 56.100 -0.059 0.000 1.084 197 R CB 0.877 31.136 30.300 -0.069 0.000 1.205 197 R HN 0.838 nan 8.270 nan 0.000 0.515 198 G N -0.619 108.156 108.800 -0.042 0.000 2.728 198 G HA2 -0.024 3.949 3.960 0.021 0.000 0.294 198 G HA3 -0.024 3.949 3.960 0.021 0.000 0.294 198 G C 0.057 174.931 174.900 -0.043 0.000 1.342 198 G CA -0.735 44.342 45.100 -0.039 0.000 0.866 198 G HN 0.802 nan 8.290 nan 0.000 0.534 199 G N -1.249 107.524 108.800 -0.045 0.000 2.684 199 G HA2 0.512 4.485 3.960 0.021 0.000 0.255 199 G HA3 0.512 4.485 3.960 0.021 0.000 0.255 199 G C 0.693 175.555 174.900 -0.064 0.000 1.219 199 G CA 1.036 46.113 45.100 -0.039 0.000 0.901 199 G HN 1.699 nan 8.290 nan 0.000 0.548 200 S N -0.742 114.925 115.700 -0.056 0.000 2.891 200 S HA 0.462 4.945 4.470 0.021 0.000 0.186 200 S C 0.905 175.448 174.600 -0.095 0.000 1.401 200 S CA -0.018 58.111 58.200 -0.118 0.000 1.035 200 S CB -0.358 62.769 63.200 -0.122 0.000 1.293 200 S HN 0.785 nan 8.310 nan 0.000 0.493 201 S N 2.318 117.961 115.700 -0.094 0.000 3.640 201 S HA 0.336 4.818 4.470 0.021 0.000 0.246 201 S C -0.082 174.470 174.600 -0.080 0.000 1.133 201 S CA -0.213 57.983 58.200 -0.006 0.000 0.882 201 S CB -0.340 62.878 63.200 0.030 0.000 1.015 201 S HN 0.404 nan 8.310 nan 0.000 0.469 202 I N 3.297 123.775 120.570 -0.155 0.000 2.371 202 I HA 0.612 4.795 4.170 0.021 0.000 0.290 202 I C 1.345 177.263 176.117 -0.331 0.000 1.028 202 I CA 1.113 62.251 61.300 -0.271 0.000 1.345 202 I CB 0.484 38.236 38.000 -0.413 0.000 1.407 202 I HN 0.713 nan 8.210 nan 0.000 0.501 203 G N 4.157 112.838 108.800 -0.198 0.000 2.153 203 G HA2 -0.168 3.804 3.960 0.021 0.000 0.252 203 G HA3 -0.168 3.804 3.960 0.021 0.000 0.252 203 G C 0.077 174.976 174.900 -0.003 0.000 0.994 203 G CA 0.093 45.208 45.100 0.025 0.000 0.698 203 G HN 0.488 nan 8.290 nan 0.000 0.521 204 V N 0.578 120.433 119.914 -0.098 0.000 2.539 204 V HA 0.744 4.876 4.120 0.021 0.000 0.292 204 V C 0.466 176.540 176.094 -0.033 0.000 1.045 204 V CA 0.031 62.217 62.300 -0.191 0.000 0.945 204 V CB 1.843 33.331 31.823 -0.558 0.000 0.993 204 V HN 0.412 nan 8.190 nan 0.000 0.464 205 S N 3.619 119.372 115.700 0.087 0.000 2.549 205 S HA 0.581 5.064 4.470 0.021 0.000 0.280 205 S C -0.600 174.271 174.600 0.451 0.000 1.109 205 S CA -0.796 57.563 58.200 0.265 0.000 0.905 205 S CB 1.901 65.195 63.200 0.156 0.000 1.081 205 S HN 0.749 nan 8.310 nan 0.000 0.477 206 R N 1.780 122.522 120.500 0.403 0.000 2.265 206 R HA 0.611 4.964 4.340 0.021 0.000 0.319 206 R C -1.627 174.752 176.300 0.131 0.000 1.006 206 R CA -0.296 56.008 56.100 0.340 0.000 0.880 206 R CB 0.522 30.847 30.300 0.042 0.000 1.077 206 R HN 0.455 nan 8.270 nan 0.000 0.454 207 V N 4.608 124.568 119.914 0.076 0.000 2.378 207 V HA 0.143 4.276 4.120 0.021 0.000 0.288 207 V C 0.667 176.658 176.094 -0.171 0.000 1.016 207 V CA -0.249 62.024 62.300 -0.045 0.000 0.840 207 V CB 1.603 33.403 31.823 -0.039 0.000 0.994 207 V HN 1.020 nan 8.190 nan 0.000 0.431 208 S N 2.097 117.697 115.700 -0.168 0.000 2.539 208 S HA 0.251 4.734 4.470 0.021 0.000 0.221 208 S C 0.559 174.991 174.600 -0.280 0.000 0.987 208 S CA 0.064 58.136 58.200 -0.214 0.000 0.929 208 S CB 0.469 63.588 63.200 -0.136 0.000 0.832 208 S HN 0.658 nan 8.310 nan 0.000 0.492 209 S N -0.719 114.812 115.700 -0.283 0.000 2.536 209 S HA 0.471 4.953 4.470 0.021 0.000 0.271 209 S C -0.538 173.927 174.600 -0.226 0.000 1.134 209 S CA -0.828 57.203 58.200 -0.281 0.000 0.897 209 S CB 0.421 63.552 63.200 -0.114 0.000 1.094 209 S HN 0.417 nan 8.310 nan 0.000 0.473 210 W N 1.867 123.164 121.300 -0.004 0.000 2.350 210 W HA -0.113 4.562 4.660 0.025 0.000 0.289 210 W C 1.854 178.374 176.519 0.000 0.000 1.215 210 W CA 1.288 58.632 57.345 -0.003 0.000 1.236 210 W CB -0.231 29.226 29.460 -0.005 0.000 1.130 210 W HN 0.900 nan 8.180 nan 0.000 0.541 211 D N -0.104 120.408 120.400 0.187 0.000 2.263 211 D HA -0.226 4.427 4.640 0.021 0.000 0.208 211 D C 1.497 177.848 176.300 0.084 0.000 0.971 211 D CA 1.286 55.356 54.000 0.117 0.000 0.867 211 D CB -0.825 40.021 40.800 0.077 0.000 0.929 211 D HN 0.284 nan 8.370 nan 0.000 0.492 212 Q N -0.760 119.079 119.800 0.066 0.000 2.432 212 Q HA 0.106 4.458 4.340 0.021 0.000 0.205 212 Q C 1.649 177.692 176.000 0.073 0.000 0.945 212 Q CA -0.053 55.779 55.803 0.049 0.000 0.924 212 Q CB 0.070 28.817 28.738 0.015 0.000 1.016 212 Q HN 0.234 nan 8.270 nan 0.000 0.503 213 L N 1.604 122.897 121.223 0.118 0.000 2.017 213 L HA -0.069 4.283 4.340 0.021 0.000 0.208 213 L C -0.959 175.972 176.870 0.101 0.000 1.073 213 L CA 1.931 56.856 54.840 0.143 0.000 0.745 213 L CB -1.082 41.130 42.059 0.256 0.000 0.894 213 L HN 0.028 nan 8.230 nan 0.000 0.432 214 P HA -0.169 nan 4.420 nan 0.000 0.215 214 P C 1.578 178.906 177.300 0.047 0.000 1.157 214 P CA 2.174 65.307 63.100 0.055 0.000 0.874 214 P CB -0.215 31.511 31.700 0.044 0.000 0.790 215 A N -0.252 122.597 122.820 0.048 0.000 1.933 215 A HA -0.087 4.245 4.320 0.021 0.000 0.218 215 A C 2.311 179.925 177.584 0.051 0.000 1.175 215 A CA 1.994 54.056 52.037 0.043 0.000 0.628 215 A CB -1.561 17.463 19.000 0.040 0.000 0.814 215 A HN 0.194 nan 8.150 nan 0.000 0.444 216 A N -0.493 122.365 122.820 0.063 0.000 1.902 216 A HA -0.002 4.330 4.320 0.021 0.000 0.217 216 A C 2.215 179.841 177.584 0.069 0.000 1.181 216 A CA 1.788 53.869 52.037 0.074 0.000 0.623 216 A CB -0.905 18.149 19.000 0.090 0.000 0.818 216 A HN 0.386 nan 8.150 nan 0.000 0.443 217 V N -0.110 119.843 119.914 0.064 0.000 2.343 217 V HA -0.235 3.898 4.120 0.021 0.000 0.247 217 V C 3.048 179.165 176.094 0.038 0.000 1.051 217 V CA 1.869 64.201 62.300 0.052 0.000 1.036 217 V CB -1.262 30.587 31.823 0.045 0.000 0.654 217 V HN 0.611 nan 8.190 nan 0.000 0.451 218 A N 0.318 123.156 122.820 0.031 0.000 1.940 218 A HA -0.278 4.055 4.320 0.021 0.000 0.219 218 A C 2.386 179.978 177.584 0.013 0.000 1.176 218 A CA 2.214 54.261 52.037 0.016 0.000 0.631 218 A CB -0.556 18.452 19.000 0.014 0.000 0.814 218 A HN 0.543 nan 8.150 nan 0.000 0.446 219 R N -0.322 120.199 120.500 0.035 0.000 2.073 219 R HA -0.058 4.295 4.340 0.021 0.000 0.234 219 R C 2.272 178.622 176.300 0.083 0.000 1.134 219 R CA 1.644 57.776 56.100 0.052 0.000 0.952 219 R CB -0.502 29.845 30.300 0.078 0.000 0.850 219 R HN 0.379 nan 8.270 nan 0.000 0.433 220 A N 0.928 123.803 122.820 0.092 0.000 1.902 220 A HA -0.171 4.161 4.320 0.021 0.000 0.217 220 A C 2.227 179.863 177.584 0.086 0.000 1.181 220 A CA 1.547 53.656 52.037 0.120 0.000 0.623 220 A CB -0.567 18.478 19.000 0.075 0.000 0.818 220 A HN 0.429 nan 8.150 nan 0.000 0.443 221 R N -0.481 120.037 120.500 0.030 0.000 2.285 221 R HA -0.004 4.349 4.340 0.021 0.000 0.213 221 R C 2.067 178.335 176.300 -0.054 0.000 1.068 221 R CA 0.672 56.772 56.100 -0.000 0.000 1.004 221 R CB -0.197 30.102 30.300 -0.002 0.000 0.873 221 R HN 0.487 nan 8.270 nan 0.000 0.467 222 R N -1.210 119.214 120.500 -0.127 0.000 2.193 222 R HA -0.125 4.227 4.340 0.021 0.000 0.229 222 R C 0.899 176.955 176.300 -0.406 0.000 1.110 222 R CA 1.463 57.386 56.100 -0.295 0.000 0.988 222 R CB -0.033 30.010 30.300 -0.428 0.000 0.871 222 R HN 0.512 nan 8.270 nan 0.000 0.458 223 H N -2.076 116.990 119.070 -0.006 0.000 2.750 223 H HA 0.207 4.775 4.556 0.020 0.000 0.263 223 H C -0.400 174.918 175.328 -0.017 0.000 0.964 223 H CA -0.100 55.941 56.048 -0.011 0.000 1.205 223 H CB 0.815 30.569 29.762 -0.013 0.000 1.454 223 H HN -0.065 nan 8.280 nan 0.000 0.503 224 D N -1.119 119.323 120.400 0.070 0.000 2.878 224 D HA 0.088 4.741 4.640 0.021 0.000 0.211 224 D C -2.267 174.040 176.300 0.011 0.000 1.271 224 D CA -1.818 52.200 54.000 0.030 0.000 0.845 224 D CB 2.125 42.941 40.800 0.027 0.000 1.679 224 D HN -0.180 nan 8.370 nan 0.000 0.536 225 P HA -0.055 nan 4.420 nan 0.000 0.217 225 P C 0.013 177.314 177.300 0.003 0.000 1.150 225 P CA 0.877 63.975 63.100 -0.003 0.000 0.832 225 P CB 0.299 31.995 31.700 -0.007 0.000 0.787 226 K N 0.710 121.109 120.400 -0.001 0.000 2.316 226 K HA 0.310 4.642 4.320 0.021 0.000 0.289 226 K C -1.095 175.514 176.600 0.015 0.000 1.070 226 K CA -0.321 55.969 56.287 0.005 0.000 0.928 226 K CB 0.331 32.823 32.500 -0.014 0.000 1.039 226 K HN -0.242 nan 8.250 nan 0.000 0.480 227 V N 6.573 126.505 119.914 0.031 0.000 2.495 227 V HA 0.379 4.511 4.120 0.021 0.000 0.298 227 V C -0.150 175.982 176.094 0.064 0.000 1.031 227 V CA -0.937 61.389 62.300 0.042 0.000 0.871 227 V CB 1.552 33.401 31.823 0.043 0.000 0.988 227 V HN 0.760 nan 8.190 nan 0.000 0.432 228 I N 4.887 125.498 120.570 0.068 0.000 2.392 228 I HA 0.543 4.726 4.170 0.021 0.000 0.295 228 I C -0.803 175.385 176.117 0.118 0.000 0.985 228 I CA -0.506 60.858 61.300 0.107 0.000 1.221 228 I CB 1.671 39.722 38.000 0.085 0.000 1.366 228 I HN 0.373 nan 8.210 nan 0.000 0.467 229 V N 7.269 127.273 119.914 0.151 0.000 2.347 229 V HA 0.393 4.526 4.120 0.021 0.000 0.280 229 V C -0.376 175.820 176.094 0.170 0.000 1.021 229 V CA -0.572 61.818 62.300 0.150 0.000 0.847 229 V CB 1.286 33.199 31.823 0.150 0.000 0.990 229 V HN 0.689 nan 8.190 nan 0.000 0.444 230 E N 2.894 123.180 120.200 0.142 0.000 2.199 230 E HA 0.687 5.049 4.350 0.021 0.000 0.269 230 E C -0.213 176.387 176.600 0.000 0.000 0.899 230 E CA -0.786 55.688 56.400 0.122 0.000 0.772 230 E CB 2.244 32.026 29.700 0.137 0.000 1.155 230 E HN 0.810 nan 8.360 nan 0.000 0.408 231 A N 2.221 125.039 122.820 -0.003 0.000 2.511 231 A HA 0.371 4.704 4.320 0.021 0.000 0.242 231 A C 0.342 177.779 177.584 -0.245 0.000 1.069 231 A CA 0.019 51.991 52.037 -0.108 0.000 0.763 231 A CB 0.145 19.124 19.000 -0.036 0.000 1.001 231 A HN 0.689 nan 8.150 nan 0.000 0.498 232 A N 2.976 125.503 122.820 -0.487 0.000 2.520 232 A HA 0.464 4.797 4.320 0.021 0.000 0.245 232 A C 0.164 177.586 177.584 -0.270 0.000 1.072 232 A CA 0.150 51.782 52.037 -0.674 0.000 0.761 232 A CB -0.227 18.306 19.000 -0.779 0.000 1.004 232 A HN 0.647 nan 8.150 nan 0.000 0.499 233 I N 2.400 122.859 120.570 -0.186 0.000 2.404 233 I HA 0.485 4.668 4.170 0.021 0.000 0.293 233 I C 0.421 176.343 176.117 -0.326 0.000 0.992 233 I CA 0.038 61.207 61.300 -0.218 0.000 1.149 233 I CB 1.390 39.239 38.000 -0.252 0.000 1.315 233 I HN 0.780 nan 8.210 nan 0.000 0.446 234 S N 3.456 119.061 115.700 -0.158 0.000 2.564 234 S HA 1.004 5.487 4.470 0.021 0.000 0.274 234 S C -0.351 174.328 174.600 0.132 0.000 1.124 234 S CA -0.165 58.008 58.200 -0.045 0.000 0.869 234 S CB 2.909 66.116 63.200 0.011 0.000 1.105 234 S HN 1.203 nan 8.310 nan 0.000 0.472 235 G N 1.593 110.557 108.800 0.273 0.000 2.403 235 G HA2 0.242 4.215 3.960 0.021 0.000 0.223 235 G HA3 0.242 4.215 3.960 0.021 0.000 0.223 235 G C -1.770 173.309 174.900 0.299 0.000 1.287 235 G CA -1.107 44.150 45.100 0.262 0.000 0.982 235 G HN 0.778 nan 8.290 nan 0.000 0.471 236 R N 0.914 121.539 120.500 0.208 0.000 2.308 236 R HA 0.403 4.756 4.340 0.021 0.000 0.305 236 R C -0.445 175.886 176.300 0.052 0.000 1.053 236 R CA -0.403 55.773 56.100 0.127 0.000 0.957 236 R CB 1.638 31.979 30.300 0.069 0.000 1.022 236 R HN 0.573 nan 8.270 nan 0.000 0.461 237 E N 4.000 124.164 120.200 -0.059 0.000 2.174 237 E HA 0.277 4.640 4.350 0.021 0.000 0.282 237 E C -1.084 175.432 176.600 -0.141 0.000 0.992 237 E CA -0.402 55.792 56.400 -0.343 0.000 0.803 237 E CB 0.715 30.170 29.700 -0.407 0.000 1.090 237 E HN 0.361 nan 8.360 nan 0.000 0.396 238 L N 3.994 125.139 121.223 -0.131 0.000 2.410 238 L HA 0.454 4.807 4.340 0.021 0.000 0.270 238 L C -0.406 176.461 176.870 -0.004 0.000 0.983 238 L CA -1.008 53.801 54.840 -0.051 0.000 0.822 238 L CB 1.878 43.895 42.059 -0.070 0.000 1.285 238 L HN 0.460 nan 8.230 nan 0.000 0.409 239 E N 1.281 121.434 120.200 -0.078 0.000 2.212 239 E HA 0.527 4.889 4.350 0.021 0.000 0.270 239 E C -1.191 175.363 176.600 -0.076 0.000 0.956 239 E CA -0.510 55.813 56.400 -0.129 0.000 0.825 239 E CB 2.848 32.303 29.700 -0.408 0.000 1.167 239 E HN 0.541 nan 8.360 nan 0.000 0.400 240 C N 0.980 120.273 119.300 -0.010 0.000 2.608 240 C HA 0.704 5.177 4.460 0.021 0.000 0.325 240 C C 0.049 175.021 174.990 -0.030 0.000 1.147 240 C CA -0.302 58.681 59.018 -0.060 0.000 1.359 240 C CB 0.565 28.322 27.740 0.029 0.000 1.912 240 C HN 0.752 nan 8.230 nan 0.000 0.466 241 G N 4.397 113.091 108.800 -0.178 0.000 2.322 241 G HA2 0.566 4.539 3.960 0.021 0.000 0.309 241 G HA3 0.566 4.539 3.960 0.021 0.000 0.309 241 G C -0.721 174.300 174.900 0.202 0.000 1.121 241 G CA -0.122 44.989 45.100 0.018 0.000 0.886 241 G HN 0.901 nan 8.290 nan 0.000 0.447 242 V N 3.075 123.240 119.914 0.419 0.000 2.472 242 V HA 0.525 4.658 4.120 0.021 0.000 0.290 242 V C -0.190 176.116 176.094 0.354 0.000 1.037 242 V CA -0.736 61.736 62.300 0.287 0.000 0.908 242 V CB 1.457 33.310 31.823 0.050 0.000 0.985 242 V HN 0.654 nan 8.190 nan 0.000 0.454 243 L N 3.817 125.159 121.223 0.199 0.000 2.385 243 L HA 0.577 4.929 4.340 0.021 0.000 0.273 243 L C -0.321 176.444 176.870 -0.175 0.000 0.990 243 L CA -0.160 54.682 54.840 0.004 0.000 0.821 243 L CB 1.863 43.725 42.059 -0.329 0.000 1.279 243 L HN 0.792 nan 8.230 nan 0.000 0.412 244 E N 5.150 125.256 120.200 -0.157 0.000 2.167 244 E HA 0.346 4.708 4.350 0.021 0.000 0.284 244 E C -0.803 175.736 176.600 -0.102 0.000 1.016 244 E CA -0.783 55.532 56.400 -0.142 0.000 0.817 244 E CB 0.782 30.465 29.700 -0.028 0.000 1.080 244 E HN 0.564 nan 8.360 nan 0.000 0.397 245 M N 4.844 124.387 119.600 -0.095 0.000 2.227 245 M HA 0.211 4.703 4.480 0.021 0.000 0.316 245 M C -1.778 174.490 176.300 -0.054 0.000 1.144 245 M CA -2.732 52.520 55.300 -0.080 0.000 1.121 245 M CB -0.269 32.291 32.600 -0.068 0.000 1.440 245 M HN 0.332 nan 8.290 nan 0.000 0.473 246 P HA -0.156 nan 4.420 nan 0.000 0.218 246 P C 0.425 177.710 177.300 -0.025 0.000 1.148 246 P CA 1.374 64.454 63.100 -0.034 0.000 0.822 246 P CB -0.056 31.627 31.700 -0.028 0.000 0.784 247 D N -2.011 118.375 120.400 -0.024 0.000 2.349 247 D HA 0.074 4.727 4.640 0.021 0.000 0.224 247 D C 1.438 177.730 176.300 -0.013 0.000 1.029 247 D CA 0.685 54.675 54.000 -0.016 0.000 0.879 247 D CB -0.955 39.836 40.800 -0.014 0.000 0.906 247 D HN 0.243 nan 8.370 nan 0.000 0.528 248 G N -0.006 108.785 108.800 -0.016 0.000 2.217 248 G HA2 -0.283 3.690 3.960 0.021 0.000 0.246 248 G HA3 -0.283 3.690 3.960 0.021 0.000 0.246 248 G C 0.548 175.441 174.900 -0.012 0.000 0.990 248 G CA 0.415 45.511 45.100 -0.007 0.000 0.627 248 G HN 0.808 nan 8.290 nan 0.000 0.522 249 T N 0.003 114.544 114.554 -0.022 0.000 2.926 249 T HA 0.602 4.965 4.350 0.021 0.000 0.307 249 T C 0.398 175.063 174.700 -0.058 0.000 1.059 249 T CA -0.285 61.799 62.100 -0.027 0.000 1.122 249 T CB 1.585 70.442 68.868 -0.019 0.000 0.972 249 T HN 0.642 nan 8.240 nan 0.000 0.545 250 L N 2.159 123.340 121.223 -0.069 0.000 2.307 250 L HA 0.551 4.904 4.340 0.021 0.000 0.284 250 L C 0.285 177.122 176.870 -0.055 0.000 1.023 250 L CA -0.957 53.802 54.840 -0.136 0.000 0.810 250 L CB 1.376 43.307 42.059 -0.213 0.000 1.231 250 L HN 0.657 nan 8.230 nan 0.000 0.423 251 E N 2.290 122.486 120.200 -0.007 0.000 2.212 251 E HA 0.658 5.021 4.350 0.021 0.000 0.268 251 E C -0.878 175.874 176.600 0.254 0.000 0.902 251 E CA -0.682 55.801 56.400 0.138 0.000 0.779 251 E CB 2.699 32.526 29.700 0.212 0.000 1.172 251 E HN 0.619 nan 8.360 nan 0.000 0.409 252 A N 1.760 124.666 122.820 0.142 0.000 2.317 252 A HA 0.509 4.841 4.320 0.021 0.000 0.327 252 A C 0.333 177.739 177.584 -0.296 0.000 1.178 252 A CA -0.615 51.418 52.037 -0.006 0.000 0.817 252 A CB 0.724 19.698 19.000 -0.043 0.000 1.189 252 A HN 0.619 nan 8.150 nan 0.000 0.489 253 S N 1.627 116.858 115.700 -0.782 0.000 2.624 253 S HA 0.426 4.909 4.470 0.021 0.000 0.263 253 S C 0.642 174.873 174.600 -0.615 0.000 1.287 253 S CA 0.257 57.694 58.200 -1.272 0.000 0.990 253 S CB 0.578 62.669 63.200 -1.848 0.000 0.950 253 S HN 0.981 nan 8.310 nan 0.000 0.561 254 T N 0.958 115.209 114.554 -0.504 0.000 2.855 254 T HA 0.195 4.558 4.350 0.021 0.000 0.322 254 T C -0.025 174.496 174.700 -0.297 0.000 1.088 254 T CA -0.329 61.586 62.100 -0.307 0.000 1.104 254 T CB -0.518 68.217 68.868 -0.223 0.000 0.996 254 T HN 0.429 nan 8.240 nan 0.000 0.549 255 L N 3.004 124.098 121.223 -0.215 0.000 2.417 255 L HA 0.528 4.880 4.340 0.021 0.000 0.268 255 L C 0.997 177.781 176.870 -0.143 0.000 1.158 255 L CA 0.373 55.102 54.840 -0.185 0.000 0.819 255 L CB 0.670 42.631 42.059 -0.164 0.000 1.112 255 L HN 0.802 nan 8.230 nan 0.000 0.458 256 G N 1.710 110.438 108.800 -0.120 0.000 2.530 256 G HA2 0.552 4.524 3.960 0.021 0.000 0.316 256 G HA3 0.552 4.524 3.960 0.021 0.000 0.316 256 G C -1.084 173.808 174.900 -0.013 0.000 1.298 256 G CA -0.354 44.713 45.100 -0.055 0.000 0.948 256 G HN 0.560 nan 8.290 nan 0.000 0.486 257 E N 1.777 121.990 120.200 0.021 0.000 2.191 257 E HA 0.622 4.985 4.350 0.021 0.000 0.274 257 E C -1.018 175.646 176.600 0.106 0.000 0.948 257 E CA -0.807 55.619 56.400 0.043 0.000 0.802 257 E CB 1.941 31.651 29.700 0.016 0.000 1.137 257 E HN 0.412 nan 8.360 nan 0.000 0.397 258 I N 3.084 123.736 120.570 0.136 0.000 2.569 258 I HA 0.494 4.677 4.170 0.021 0.000 0.296 258 I C -1.205 174.965 176.117 0.087 0.000 1.028 258 I CA -0.874 60.513 61.300 0.145 0.000 1.082 258 I CB 1.213 39.363 38.000 0.250 0.000 1.264 258 I HN 0.574 nan 8.210 nan 0.000 0.429 259 R N 6.550 127.083 120.500 0.054 0.000 2.502 259 R HA 0.519 4.872 4.340 0.021 0.000 0.298 259 R C -1.040 175.275 176.300 0.025 0.000 1.018 259 R CA -0.608 55.521 56.100 0.049 0.000 0.899 259 R CB 2.165 32.488 30.300 0.039 0.000 1.181 259 R HN 0.522 nan 8.270 nan 0.000 0.444 260 V N 0.128 120.065 119.914 0.039 0.000 3.234 260 V HA 0.991 5.124 4.120 0.021 0.000 0.317 260 V C 0.114 176.233 176.094 0.042 0.000 1.147 260 V CA -0.252 62.059 62.300 0.019 0.000 1.037 260 V CB 1.564 33.392 31.823 0.008 0.000 1.148 260 V HN 1.066 nan 8.190 nan 0.000 0.455 261 A N 0.004 122.842 122.820 0.029 0.000 2.438 261 A HA 0.251 4.584 4.320 0.021 0.000 0.686 261 A C 0.448 178.051 177.584 0.031 0.000 0.140 261 A CA 0.006 52.065 52.037 0.037 0.000 0.026 261 A CB -1.751 17.287 19.000 0.064 0.000 3.973 261 A HN 2.797 nan 8.150 nan 0.000 0.548 262 G N -0.083 108.732 108.800 0.024 0.000 2.448 262 G HA2 0.841 4.814 3.960 0.021 0.000 0.309 262 G HA3 0.841 4.814 3.960 0.021 0.000 0.309 262 G C 0.171 175.087 174.900 0.026 0.000 1.027 262 G CA 1.090 46.202 45.100 0.020 0.000 1.104 262 G HN 2.729 nan 8.290 nan 0.000 0.428 263 V N 0.033 119.965 119.914 0.030 0.000 3.211 263 V HA 0.720 4.853 4.120 0.021 0.000 0.274 263 V C 0.711 176.828 176.094 0.039 0.000 1.934 263 V CA 0.380 62.700 62.300 0.034 0.000 0.958 263 V CB -0.161 31.687 31.823 0.042 0.000 1.255 263 V HN 1.064 nan 8.190 nan 0.000 0.465 264 R N -0.685 119.840 120.500 0.042 0.000 2.009 264 R HA 0.732 5.084 4.340 0.021 0.000 0.206 264 R C 1.975 178.313 176.300 0.064 0.000 1.356 264 R CA 2.356 58.482 56.100 0.044 0.000 1.088 264 R CB -1.111 29.210 30.300 0.036 0.000 0.959 264 R HN 2.713 nan 8.270 nan 0.000 0.469 265 G N -1.603 107.239 108.800 0.070 0.000 2.792 265 G HA2 0.246 4.219 3.960 0.021 0.000 0.147 265 G HA3 0.246 4.219 3.960 0.021 0.000 0.147 265 G C 1.483 176.451 174.900 0.115 0.000 1.838 265 G CA 2.415 47.575 45.100 0.100 0.000 0.980 265 G HN 1.627 nan 8.290 nan 0.000 0.436 266 R N -1.239 119.327 120.500 0.111 0.000 4.024 266 R HA -0.186 4.167 4.340 0.021 0.000 0.372 266 R C 0.808 177.195 176.300 0.145 0.000 1.192 266 R CA 2.318 58.480 56.100 0.104 0.000 1.183 266 R CB -2.649 27.694 30.300 0.072 0.000 1.672 266 R HN 0.639 nan 8.270 nan 0.000 0.571 267 E N 1.640 121.967 120.200 0.211 0.000 2.373 267 E HA 0.432 4.794 4.350 0.021 0.000 0.267 267 E C 0.092 176.903 176.600 0.351 0.000 1.032 267 E CA 0.184 56.772 56.400 0.315 0.000 0.889 267 E CB 0.997 30.932 29.700 0.392 0.000 0.984 267 E HN 0.823 nan 8.360 nan 0.000 0.425 268 D N -1.731 118.847 120.400 0.297 0.000 2.566 268 D HA 0.175 4.827 4.640 0.021 0.000 0.254 268 D C -0.086 176.221 176.300 0.012 0.000 1.090 268 D CA -0.809 53.226 54.000 0.059 0.000 1.034 268 D CB 0.487 41.394 40.800 0.178 0.000 1.434 268 D HN 0.121 nan 8.370 nan 0.000 0.509 269 S N -0.801 114.781 115.700 -0.197 0.000 2.743 269 S HA 0.087 4.570 4.470 0.021 0.000 0.230 269 S C 1.091 175.648 174.600 -0.072 0.000 0.950 269 S CA -0.715 57.446 58.200 -0.066 0.000 0.976 269 S CB -1.015 62.099 63.200 -0.143 0.000 0.779 269 S HN 0.463 nan 8.310 nan 0.000 0.487 270 F N 2.038 121.659 119.950 -0.548 0.000 2.039 270 F HA 0.123 4.663 4.527 0.021 0.000 0.294 270 F C 0.597 176.026 175.800 -0.619 0.000 1.130 270 F CA 0.875 58.187 58.000 -1.146 0.000 1.189 270 F CB -0.063 38.171 39.000 -1.276 0.000 0.983 270 F HN 0.177 nan 8.300 nan 0.000 0.471 271 Y N 1.401 121.635 120.300 -0.110 0.000 2.316 271 Y HA 0.186 4.749 4.550 0.022 0.000 0.324 271 Y C 0.306 176.199 175.900 -0.013 0.000 1.267 271 Y CA -1.328 56.707 58.100 -0.108 0.000 1.311 271 Y CB 0.156 38.628 38.460 0.020 0.000 1.267 271 Y HN 0.133 nan 8.280 nan 0.000 0.516 272 D N 0.936 121.430 120.400 0.155 0.000 2.329 272 D HA -0.061 4.592 4.640 0.021 0.000 0.246 272 D C 0.779 177.195 176.300 0.194 0.000 1.111 272 D CA -0.498 53.597 54.000 0.158 0.000 0.941 272 D CB 0.501 41.360 40.800 0.098 0.000 1.169 272 D HN 0.601 nan 8.370 nan 0.000 0.441 273 F N 1.426 121.429 119.950 0.089 0.000 2.087 273 F HA -0.254 4.286 4.527 0.021 0.000 0.299 273 F C 2.330 178.180 175.800 0.084 0.000 1.100 273 F CA 2.694 60.740 58.000 0.077 0.000 1.226 273 F CB -0.357 38.657 39.000 0.023 0.000 0.983 273 F HN 0.475 nan 8.300 nan 0.000 0.479 274 A N -0.432 122.469 122.820 0.135 0.000 1.883 274 A HA -0.232 4.101 4.320 0.021 0.000 0.217 274 A C 2.183 179.744 177.584 -0.037 0.000 1.186 274 A CA 2.522 54.584 52.037 0.042 0.000 0.624 274 A CB -1.508 17.546 19.000 0.089 0.000 0.822 274 A HN 0.483 nan 8.150 nan 0.000 0.444 275 T N -0.143 114.396 114.554 -0.025 0.000 2.708 275 T HA -0.126 4.236 4.350 0.021 0.000 0.266 275 T C 1.920 176.541 174.700 -0.132 0.000 1.037 275 T CA 1.697 63.758 62.100 -0.066 0.000 1.146 275 T CB -0.204 68.632 68.868 -0.053 0.000 0.865 275 T HN 0.536 nan 8.240 nan 0.000 0.435 276 K N -0.018 120.296 120.400 -0.142 0.000 2.147 276 K HA -0.069 4.264 4.320 0.021 0.000 0.205 276 K C 2.016 178.478 176.600 -0.230 0.000 1.049 276 K CA 0.972 57.155 56.287 -0.173 0.000 0.936 276 K CB -0.255 32.185 32.500 -0.099 0.000 0.722 276 K HN 0.360 nan 8.250 nan 0.000 0.446 277 Y N 1.144 121.155 120.300 -0.481 0.000 2.421 277 Y HA -0.103 4.459 4.550 0.021 0.000 0.292 277 Y C 1.453 177.212 175.900 -0.235 0.000 1.136 277 Y CA 1.037 58.860 58.100 -0.462 0.000 1.255 277 Y CB 0.127 38.223 38.460 -0.607 0.000 0.991 277 Y HN -0.041 nan 8.280 nan 0.000 0.552 278 L N -0.678 120.476 121.223 -0.116 0.000 2.529 278 L HA 0.036 4.388 4.340 0.021 0.000 0.223 278 L C 0.478 177.259 176.870 -0.150 0.000 1.113 278 L CA 0.004 54.778 54.840 -0.110 0.000 0.861 278 L CB -0.228 41.800 42.059 -0.051 0.000 1.012 278 L HN -0.025 nan 8.230 nan 0.000 0.461 279 D N 0.994 121.290 120.400 -0.173 0.000 2.424 279 D HA 0.036 4.689 4.640 0.021 0.000 0.244 279 D C 1.082 177.290 176.300 -0.153 0.000 1.134 279 D CA 0.926 54.832 54.000 -0.156 0.000 0.881 279 D CB 1.353 42.058 40.800 -0.159 0.000 1.191 279 D HN 0.226 nan 8.370 nan 0.000 0.445 280 D N 2.512 122.841 120.400 -0.119 0.000 2.178 280 D HA -0.080 4.573 4.640 0.021 0.000 0.202 280 D C 1.781 178.021 176.300 -0.099 0.000 0.974 280 D CA 1.514 55.451 54.000 -0.105 0.000 0.841 280 D CB -0.335 40.418 40.800 -0.079 0.000 0.953 280 D HN 0.521 nan 8.370 nan 0.000 0.478 281 A N -0.050 122.716 122.820 -0.090 0.000 2.121 281 A HA 0.500 4.832 4.320 0.021 0.000 0.218 281 A C 1.961 179.497 177.584 -0.079 0.000 1.154 281 A CA 1.143 53.136 52.037 -0.073 0.000 0.679 281 A CB -0.596 18.369 19.000 -0.058 0.000 0.795 281 A HN 1.057 nan 8.150 nan 0.000 0.458 282 A N 0.563 123.315 122.820 -0.113 0.000 2.546 282 A HA 0.356 4.689 4.320 0.021 0.000 0.243 282 A C -0.010 177.509 177.584 -0.107 0.000 1.063 282 A CA 0.161 52.124 52.037 -0.123 0.000 0.757 282 A CB -0.120 18.757 19.000 -0.206 0.000 0.991 282 A HN 0.561 nan 8.150 nan 0.000 0.503 283 E N 1.476 121.638 120.200 -0.063 0.000 2.171 283 E HA 0.574 4.937 4.350 0.021 0.000 0.271 283 E C -1.083 175.508 176.600 -0.016 0.000 0.916 283 E CA -0.361 56.014 56.400 -0.042 0.000 0.774 283 E CB 1.695 31.383 29.700 -0.021 0.000 1.128 283 E HN 0.624 nan 8.360 nan 0.000 0.403 284 L N 2.578 123.795 121.223 -0.010 0.000 2.346 284 L HA 0.487 4.839 4.340 0.021 0.000 0.276 284 L C -0.764 176.124 176.870 0.029 0.000 1.006 284 L CA -0.969 53.893 54.840 0.036 0.000 0.817 284 L CB 1.518 43.612 42.059 0.059 0.000 1.272 284 L HN 0.399 nan 8.230 nan 0.000 0.421 285 D N 2.805 123.226 120.400 0.036 0.000 2.471 285 D HA 0.447 5.100 4.640 0.021 0.000 0.245 285 D C -0.880 175.427 176.300 0.011 0.000 1.116 285 D CA -0.057 53.952 54.000 0.016 0.000 0.853 285 D CB 2.559 43.363 40.800 0.007 0.000 1.123 285 D HN 0.030 nan 8.370 nan 0.000 0.540 286 V N 4.012 123.928 119.914 0.005 0.000 2.419 286 V HA 0.331 4.464 4.120 0.021 0.000 0.287 286 V C -2.107 173.972 176.094 -0.023 0.000 1.017 286 V CA -1.384 60.908 62.300 -0.014 0.000 0.844 286 V CB 1.559 33.383 31.823 0.002 0.000 1.011 286 V HN 0.353 nan 8.190 nan 0.000 0.429 287 P HA 0.486 nan 4.420 nan 0.000 0.274 287 P C -0.138 177.135 177.300 -0.045 0.000 1.237 287 P CA -0.205 62.860 63.100 -0.059 0.000 0.793 287 P CB 0.705 32.365 31.700 -0.066 0.000 0.977 288 A N 1.972 124.759 122.820 -0.055 0.000 2.462 288 A HA 0.145 4.478 4.320 0.021 0.000 0.243 288 A C 0.034 177.593 177.584 -0.042 0.000 1.076 288 A CA -0.277 51.734 52.037 -0.042 0.000 0.773 288 A CB -0.246 18.722 19.000 -0.053 0.000 1.010 288 A HN 0.473 nan 8.150 nan 0.000 0.493 289 K N 1.648 122.031 120.400 -0.028 0.000 2.183 289 K HA 0.438 4.771 4.320 0.021 0.000 0.272 289 K C -1.059 175.524 176.600 -0.028 0.000 1.113 289 K CA 0.021 56.292 56.287 -0.026 0.000 0.949 289 K CB 0.487 32.977 32.500 -0.016 0.000 1.365 289 K HN 0.380 nan 8.250 nan 0.000 0.420 290 V N 1.425 121.316 119.914 -0.039 0.000 3.007 290 V HA 0.113 4.246 4.120 0.021 0.000 0.311 290 V C -0.212 175.857 176.094 -0.042 0.000 1.120 290 V CA -1.173 61.102 62.300 -0.042 0.000 0.980 290 V CB 2.175 33.961 31.823 -0.061 0.000 1.033 290 V HN 0.710 nan 8.190 nan 0.000 0.429 291 D N 1.692 122.070 120.400 -0.036 0.000 2.449 291 D HA -0.059 4.594 4.640 0.021 0.000 0.236 291 D C 0.332 176.606 176.300 -0.043 0.000 1.149 291 D CA 0.119 54.099 54.000 -0.033 0.000 0.878 291 D CB 1.398 42.182 40.800 -0.026 0.000 1.198 291 D HN 0.575 nan 8.370 nan 0.000 0.446 292 D N 2.953 123.330 120.400 -0.038 0.000 2.097 292 D HA -0.168 4.484 4.640 0.021 0.000 0.197 292 D C 2.016 178.288 176.300 -0.046 0.000 0.984 292 D CA 2.130 56.104 54.000 -0.043 0.000 0.826 292 D CB -0.467 40.312 40.800 -0.034 0.000 0.973 292 D HN 0.702 nan 8.370 nan 0.000 0.460 293 Q N 0.738 120.516 119.800 -0.037 0.000 2.124 293 Q HA -0.079 4.274 4.340 0.021 0.000 0.202 293 Q C 2.489 178.462 176.000 -0.046 0.000 0.977 293 Q CA 1.501 57.283 55.803 -0.035 0.000 0.850 293 Q CB -1.117 27.606 28.738 -0.024 0.000 0.901 293 Q HN 0.281 nan 8.270 nan 0.000 0.429 294 V N 0.727 120.610 119.914 -0.050 0.000 2.307 294 V HA -0.149 3.983 4.120 0.021 0.000 0.245 294 V C 2.852 178.884 176.094 -0.104 0.000 1.045 294 V CA 1.676 63.937 62.300 -0.066 0.000 1.024 294 V CB -1.065 30.725 31.823 -0.055 0.000 0.651 294 V HN 0.744 nan 8.190 nan 0.000 0.449 295 A N 0.358 123.116 122.820 -0.103 0.000 1.877 295 A HA -0.273 4.059 4.320 0.021 0.000 0.216 295 A C 2.202 179.704 177.584 -0.137 0.000 1.186 295 A CA 2.155 54.112 52.037 -0.134 0.000 0.620 295 A CB -0.578 18.355 19.000 -0.111 0.000 0.822 295 A HN 0.584 nan 8.150 nan 0.000 0.443 296 E N 0.541 120.683 120.200 -0.097 0.000 2.070 296 E HA -0.138 4.224 4.350 0.021 0.000 0.197 296 E C 1.959 178.509 176.600 -0.083 0.000 1.004 296 E CA 2.053 58.404 56.400 -0.081 0.000 0.805 296 E CB -0.586 29.081 29.700 -0.054 0.000 0.744 296 E HN 0.461 nan 8.360 nan 0.000 0.451 297 A N 0.516 123.288 122.820 -0.081 0.000 1.933 297 A HA -0.124 4.209 4.320 0.021 0.000 0.218 297 A C 2.449 179.965 177.584 -0.113 0.000 1.175 297 A CA 1.575 53.571 52.037 -0.069 0.000 0.628 297 A CB -0.705 18.264 19.000 -0.052 0.000 0.814 297 A HN 0.395 nan 8.150 nan 0.000 0.444 298 I N -0.968 119.474 120.570 -0.214 0.000 2.202 298 I HA -0.262 3.921 4.170 0.021 0.000 0.242 298 I C 2.747 178.653 176.117 -0.351 0.000 1.091 298 I CA 1.347 62.382 61.300 -0.442 0.000 1.368 298 I CB -0.362 37.251 38.000 -0.646 0.000 1.058 298 I HN 0.307 nan 8.210 nan 0.000 0.410 299 R N 0.153 120.518 120.500 -0.225 0.000 2.105 299 R HA -0.196 4.157 4.340 0.021 0.000 0.239 299 R C 2.334 178.613 176.300 -0.035 0.000 1.135 299 R CA 1.077 57.102 56.100 -0.124 0.000 0.967 299 R CB -0.259 29.969 30.300 -0.120 0.000 0.861 299 R HN 0.385 nan 8.270 nan 0.000 0.442 300 Q N 0.692 120.474 119.800 -0.032 0.000 2.079 300 Q HA -0.048 4.305 4.340 0.021 0.000 0.200 300 Q C 2.246 178.286 176.000 0.068 0.000 0.974 300 Q CA 1.259 57.071 55.803 0.015 0.000 0.840 300 Q CB -0.138 28.604 28.738 0.005 0.000 0.898 300 Q HN 0.391 nan 8.270 nan 0.000 0.430 301 L N -0.044 121.230 121.223 0.086 0.000 2.127 301 L HA -0.195 4.158 4.340 0.021 0.000 0.211 301 L C 2.337 179.380 176.870 0.288 0.000 1.089 301 L CA 1.124 56.081 54.840 0.195 0.000 0.757 301 L CB -0.618 41.615 42.059 0.290 0.000 0.899 301 L HN 0.116 nan 8.230 nan 0.000 0.434 302 A N 0.218 123.235 122.820 0.327 0.000 1.898 302 A HA -0.142 4.190 4.320 0.021 0.000 0.216 302 A C 2.161 179.881 177.584 0.226 0.000 1.181 302 A CA 1.075 53.324 52.037 0.355 0.000 0.620 302 A CB -0.356 18.842 19.000 0.331 0.000 0.819 302 A HN 0.244 nan 8.150 nan 0.000 0.442 303 I N -0.074 120.587 120.570 0.151 0.000 2.163 303 I HA -0.239 3.944 4.170 0.021 0.000 0.243 303 I C 2.578 178.797 176.117 0.170 0.000 1.085 303 I CA 1.606 62.976 61.300 0.116 0.000 1.347 303 I CB -1.336 36.698 38.000 0.057 0.000 1.044 303 I HN 0.369 nan 8.210 nan 0.000 0.408 304 R N 0.792 121.378 120.500 0.143 0.000 2.081 304 R HA -0.118 4.234 4.340 0.021 0.000 0.235 304 R C 2.436 178.821 176.300 0.142 0.000 1.131 304 R CA 1.525 57.704 56.100 0.131 0.000 0.960 304 R CB -0.462 29.900 30.300 0.103 0.000 0.856 304 R HN 0.383 nan 8.270 nan 0.000 0.436 305 A N 0.940 123.851 122.820 0.151 0.000 1.908 305 A HA -0.217 4.116 4.320 0.021 0.000 0.218 305 A C 2.002 179.665 177.584 0.131 0.000 1.181 305 A CA 1.280 53.383 52.037 0.109 0.000 0.627 305 A CB -0.718 18.324 19.000 0.071 0.000 0.818 305 A HN 0.396 nan 8.150 nan 0.000 0.445 306 F N 0.804 120.780 119.950 0.044 0.000 2.126 306 F HA -0.128 4.413 4.527 0.023 0.000 0.299 306 F C 2.457 178.276 175.800 0.032 0.000 1.096 306 F CA 1.580 59.606 58.000 0.043 0.000 1.255 306 F CB -0.152 38.889 39.000 0.067 0.000 0.997 306 F HN 0.247 nan 8.300 nan 0.000 0.479 307 A N 0.004 123.002 122.820 0.296 0.000 1.970 307 A HA 0.098 4.431 4.320 0.021 0.000 0.216 307 A C 2.280 179.896 177.584 0.055 0.000 1.170 307 A CA 1.058 53.201 52.037 0.177 0.000 0.645 307 A CB -1.326 17.780 19.000 0.177 0.000 0.816 307 A HN 0.460 nan 8.150 nan 0.000 0.447 308 A N 0.531 123.380 122.820 0.047 0.000 2.019 308 A HA -0.034 4.298 4.320 0.021 0.000 0.219 308 A C 1.831 179.401 177.584 -0.023 0.000 1.164 308 A CA 1.470 53.516 52.037 0.014 0.000 0.644 308 A CB -0.673 18.340 19.000 0.022 0.000 0.805 308 A HN 1.061 nan 8.150 nan 0.000 0.449 309 I N -5.517 115.019 120.570 -0.058 0.000 3.974 309 I HA 0.330 4.513 4.170 0.021 0.000 0.334 309 I C 0.231 176.280 176.117 -0.114 0.000 1.437 309 I CA 0.434 61.686 61.300 -0.080 0.000 1.113 309 I CB 0.231 38.179 38.000 -0.085 0.000 1.063 309 I HN 0.082 nan 8.210 nan 0.000 0.400 310 D N 1.019 121.350 120.400 -0.114 0.000 2.772 310 D HA -0.234 4.418 4.640 0.021 0.000 0.233 310 D C 0.166 176.337 176.300 -0.216 0.000 1.143 310 D CA 0.484 54.416 54.000 -0.112 0.000 0.700 310 D CB -1.486 39.277 40.800 -0.061 0.000 1.076 310 D HN 0.611 nan 8.370 nan 0.000 0.430 311 C N 0.282 119.298 119.300 -0.474 0.000 2.705 311 C HA 0.568 5.041 4.460 0.021 0.000 0.382 311 C C 0.823 175.470 174.990 -0.571 0.000 1.322 311 C CA -0.154 58.423 59.018 -0.735 0.000 2.290 311 C CB 0.061 26.967 27.740 -1.390 0.000 2.650 311 C HN 0.381 nan 8.230 nan 0.000 0.695 312 R N 1.452 121.785 120.500 -0.277 0.000 2.744 312 R HA 0.522 4.875 4.340 0.021 0.000 0.279 312 R C 0.838 177.265 176.300 0.211 0.000 0.977 312 R CA 0.123 56.255 56.100 0.053 0.000 0.906 312 R CB 1.442 31.705 30.300 -0.062 0.000 1.197 312 R HN 1.136 nan 8.270 nan 0.000 0.463 313 G N 1.626 110.592 108.800 0.276 0.000 3.548 313 G HA2 -0.330 3.642 3.960 0.021 0.000 0.224 313 G HA3 -0.330 3.642 3.960 0.021 0.000 0.224 313 G C -0.105 174.930 174.900 0.225 0.000 1.351 313 G CA 0.788 45.971 45.100 0.139 0.000 0.905 313 G HN 0.658 nan 8.290 nan 0.000 0.561 314 L N -3.782 117.661 121.223 0.367 0.000 2.794 314 L HA 0.842 5.195 4.340 0.021 0.000 0.261 314 L C -0.792 176.307 176.870 0.382 0.000 0.989 314 L CA -0.485 54.571 54.840 0.359 0.000 0.900 314 L CB 1.481 43.590 42.059 0.084 0.000 1.473 314 L HN 1.995 nan 8.230 nan 0.000 0.414 315 A N 1.451 124.506 122.820 0.392 0.000 2.605 315 A HA 0.756 5.089 4.320 0.021 0.000 0.294 315 A C -1.641 176.116 177.584 0.290 0.000 1.062 315 A CA -0.686 51.503 52.037 0.254 0.000 0.682 315 A CB 2.085 21.273 19.000 0.313 0.000 1.278 315 A HN 0.932 nan 8.150 nan 0.000 0.410 316 R N 1.484 122.062 120.500 0.131 0.000 2.295 316 R HA 0.647 5.000 4.340 0.021 0.000 0.324 316 R C -1.569 174.732 176.300 0.002 0.000 0.968 316 R CA -0.287 55.872 56.100 0.099 0.000 0.837 316 R CB 1.144 31.432 30.300 -0.020 0.000 1.133 316 R HN 0.514 nan 8.270 nan 0.000 0.450 317 V N 3.845 123.763 119.914 0.006 0.000 2.435 317 V HA 0.188 4.321 4.120 0.021 0.000 0.290 317 V C -0.457 175.522 176.094 -0.191 0.000 1.030 317 V CA -0.709 61.527 62.300 -0.108 0.000 0.881 317 V CB 1.537 33.311 31.823 -0.081 0.000 0.983 317 V HN 0.765 nan 8.190 nan 0.000 0.445 318 D N 3.652 123.872 120.400 -0.300 0.000 2.329 318 D HA 0.507 5.159 4.640 0.021 0.000 0.232 318 D C -0.955 175.164 176.300 -0.302 0.000 1.088 318 D CA -0.043 53.817 54.000 -0.234 0.000 0.835 318 D CB 0.581 41.305 40.800 -0.127 0.000 1.078 318 D HN 0.225 nan 8.370 nan 0.000 0.495 319 F N 2.746 122.612 119.950 -0.140 0.000 2.507 319 F HA 0.558 5.099 4.527 0.023 0.000 0.327 319 F C -0.245 175.422 175.800 -0.223 0.000 1.068 319 F CA -0.901 57.058 58.000 -0.069 0.000 0.965 319 F CB 1.276 40.246 39.000 -0.051 0.000 1.192 319 F HN 0.184 nan 8.300 nan 0.000 0.476 320 F N 2.502 122.600 119.950 0.247 0.000 2.493 320 F HA 0.424 4.963 4.527 0.021 0.000 0.329 320 F C -0.512 175.384 175.800 0.160 0.000 1.126 320 F CA -0.924 57.184 58.000 0.179 0.000 0.937 320 F CB 1.632 40.719 39.000 0.144 0.000 1.146 320 F HN 0.121 nan 8.300 nan 0.000 0.442 321 L N 5.174 126.545 121.223 0.248 0.000 2.334 321 L HA 0.333 4.685 4.340 0.021 0.000 0.286 321 L C 0.455 177.428 176.870 0.171 0.000 1.108 321 L CA -0.000 54.937 54.840 0.162 0.000 0.875 321 L CB -0.516 41.591 42.059 0.081 0.000 1.246 321 L HN 0.723 nan 8.230 nan 0.000 0.439 322 T N -0.478 114.173 114.554 0.162 0.000 2.849 322 T HA 0.265 4.627 4.350 0.021 0.000 0.276 322 T C 0.885 175.636 174.700 0.085 0.000 0.971 322 T CA -0.508 61.668 62.100 0.127 0.000 0.949 322 T CB 0.726 69.662 68.868 0.114 0.000 1.093 322 T HN 0.489 nan 8.240 nan 0.000 0.545 323 D N 0.364 120.803 120.400 0.065 0.000 2.182 323 D HA -0.055 4.597 4.640 0.021 0.000 0.201 323 D C 0.688 177.015 176.300 0.045 0.000 0.986 323 D CA 1.321 55.350 54.000 0.048 0.000 0.847 323 D CB -0.217 40.605 40.800 0.036 0.000 0.942 323 D HN 0.628 nan 8.370 nan 0.000 0.467 324 D N -0.551 119.880 120.400 0.051 0.000 2.427 324 D HA 0.412 5.065 4.640 0.021 0.000 0.224 324 D C 0.834 177.169 176.300 0.057 0.000 1.157 324 D CA 0.219 54.248 54.000 0.048 0.000 0.828 324 D CB 0.615 41.441 40.800 0.045 0.000 0.974 324 D HN 0.189 nan 8.370 nan 0.000 0.498 325 G N 1.162 110.001 108.800 0.064 0.000 2.592 325 G HA2 -0.138 3.835 3.960 0.021 0.000 0.684 325 G HA3 -0.138 3.835 3.960 0.021 0.000 0.684 325 G C -2.773 172.188 174.900 0.102 0.000 1.291 325 G CA -1.250 43.891 45.100 0.068 0.000 0.891 325 G HN -0.051 nan 8.290 nan 0.000 0.544 326 P HA 0.448 nan 4.420 nan 0.000 0.269 326 P C -0.373 177.067 177.300 0.233 0.000 1.209 326 P CA 0.012 63.222 63.100 0.182 0.000 0.776 326 P CB 1.367 33.152 31.700 0.142 0.000 0.876 327 V N 4.550 124.643 119.914 0.298 0.000 2.638 327 V HA 0.322 4.455 4.120 0.021 0.000 0.306 327 V C 0.435 176.663 176.094 0.223 0.000 1.052 327 V CA -0.742 61.701 62.300 0.238 0.000 0.885 327 V CB 1.974 33.916 31.823 0.198 0.000 0.999 327 V HN 0.378 nan 8.190 nan 0.000 0.424 328 I N 3.524 124.139 120.570 0.076 0.000 2.371 328 I HA 0.270 4.453 4.170 0.021 0.000 0.290 328 I C 1.010 177.110 176.117 -0.030 0.000 1.028 328 I CA 0.062 61.272 61.300 -0.150 0.000 1.345 328 I CB 0.969 38.822 38.000 -0.246 0.000 1.407 328 I HN 0.734 nan 8.210 nan 0.000 0.501 329 N N 4.367 123.062 118.700 -0.009 0.000 2.463 329 N HA 0.046 4.799 4.740 0.021 0.000 0.183 329 N C -0.021 175.499 175.510 0.015 0.000 1.064 329 N CA 0.347 53.452 53.050 0.093 0.000 0.879 329 N CB 0.797 39.480 38.487 0.327 0.000 1.148 329 N HN 0.711 nan 8.380 nan 0.000 0.451 330 E N -0.210 119.956 120.200 -0.057 0.000 2.363 330 E HA 0.284 4.647 4.350 0.021 0.000 0.281 330 E C -1.627 174.908 176.600 -0.109 0.000 0.953 330 E CA -0.567 55.799 56.400 -0.057 0.000 0.778 330 E CB 1.325 31.023 29.700 -0.004 0.000 1.220 330 E HN 0.101 nan 8.360 nan 0.000 0.431 331 I N 3.270 123.794 120.570 -0.077 0.000 2.382 331 I HA 0.321 4.503 4.170 0.021 0.000 0.285 331 I C -0.167 175.925 176.117 -0.041 0.000 1.007 331 I CA -0.834 60.428 61.300 -0.064 0.000 1.142 331 I CB 1.364 39.332 38.000 -0.054 0.000 1.289 331 I HN 0.282 nan 8.210 nan 0.000 0.453 332 N N 4.430 123.109 118.700 -0.034 0.000 2.437 332 N HA 0.156 4.908 4.740 0.021 0.000 0.259 332 N C 0.786 176.280 175.510 -0.026 0.000 0.983 332 N CA -0.141 52.892 53.050 -0.027 0.000 0.937 332 N CB 1.714 40.184 38.487 -0.028 0.000 1.122 332 N HN 0.735 nan 8.380 nan 0.000 0.499 333 T N 0.521 115.061 114.554 -0.024 0.000 3.107 333 T HA 0.178 4.541 4.350 0.021 0.000 0.249 333 T C 0.924 175.622 174.700 -0.003 0.000 1.096 333 T CA 0.135 62.222 62.100 -0.021 0.000 1.012 333 T CB 0.003 68.852 68.868 -0.031 0.000 0.977 333 T HN 0.496 nan 8.240 nan 0.000 0.527 334 M N 2.656 122.252 119.600 -0.007 0.000 2.353 334 M HA 0.362 4.854 4.480 0.021 0.000 0.218 334 M C -2.817 173.458 176.300 -0.042 0.000 1.044 334 M CA -2.011 53.303 55.300 0.023 0.000 0.615 334 M CB 1.463 34.109 32.600 0.076 0.000 1.531 334 M HN -0.076 nan 8.290 nan 0.000 0.378 335 P HA 0.232 nan 4.420 nan 0.000 0.272 335 P C 0.264 177.389 177.300 -0.292 0.000 1.240 335 P CA 0.006 62.955 63.100 -0.252 0.000 0.791 335 P CB 0.420 31.883 31.700 -0.395 0.000 0.978 336 G N -0.074 108.615 108.800 -0.185 0.000 2.432 336 G HA2 0.145 4.117 3.960 0.021 0.000 0.239 336 G HA3 0.145 4.117 3.960 0.021 0.000 0.239 336 G C -0.573 174.207 174.900 -0.200 0.000 1.291 336 G CA -0.379 44.660 45.100 -0.103 0.000 0.863 336 G HN 0.425 nan 8.290 nan 0.000 0.560 337 F N 1.014 121.019 119.950 0.092 0.000 2.881 337 F HA 0.225 4.765 4.527 0.021 0.000 0.343 337 F C 1.454 177.317 175.800 0.104 0.000 1.233 337 F CA -0.559 57.530 58.000 0.149 0.000 1.262 337 F CB 0.806 39.874 39.000 0.113 0.000 0.980 337 F HN 0.555 nan 8.300 nan 0.000 0.506 338 T N -3.707 110.933 114.554 0.143 0.000 2.918 338 T HA 0.137 4.500 4.350 0.021 0.000 0.283 338 T C 1.457 176.054 174.700 -0.173 0.000 1.001 338 T CA -0.016 62.082 62.100 -0.004 0.000 1.041 338 T CB 1.583 70.456 68.868 0.008 0.000 1.028 338 T HN 0.237 nan 8.240 nan 0.000 0.511 339 T N -0.795 113.530 114.554 -0.382 0.000 3.077 339 T HA -0.061 4.302 4.350 0.021 0.000 0.269 339 T C 1.532 176.137 174.700 -0.158 0.000 1.146 339 T CA 1.123 62.938 62.100 -0.476 0.000 1.091 339 T CB -0.957 67.652 68.868 -0.432 0.000 0.892 339 T HN 0.799 nan 8.240 nan 0.000 0.533 340 I N -1.979 118.558 120.570 -0.056 0.000 4.082 340 I HA 0.427 4.609 4.170 0.021 0.000 0.337 340 I C 0.103 176.318 176.117 0.163 0.000 1.352 340 I CA -0.860 60.469 61.300 0.048 0.000 1.097 340 I CB 0.279 38.306 38.000 0.045 0.000 1.048 340 I HN -0.062 nan 8.210 nan 0.000 0.393 341 S N 1.412 117.171 115.700 0.099 0.000 2.593 341 S HA 0.163 4.646 4.470 0.021 0.000 0.269 341 S C 0.821 175.439 174.600 0.030 0.000 1.334 341 S CA -0.362 57.870 58.200 0.054 0.000 1.015 341 S CB 1.437 64.633 63.200 -0.007 0.000 0.912 341 S HN 0.412 nan 8.310 nan 0.000 0.541 342 M N 1.650 121.155 119.600 -0.159 0.000 2.086 342 M HA -0.081 4.412 4.480 0.021 0.000 0.261 342 M C 1.653 177.956 176.300 0.006 0.000 1.067 342 M CA 1.718 56.987 55.300 -0.051 0.000 1.116 342 M CB -0.821 31.707 32.600 -0.120 0.000 1.348 342 M HN 0.817 nan 8.290 nan 0.000 0.407 343 Y N 0.477 120.712 120.300 -0.110 0.000 2.114 343 Y HA -0.128 4.434 4.550 0.021 0.000 0.284 343 Y C -0.915 175.072 175.900 0.145 0.000 1.143 343 Y CA 2.222 60.308 58.100 -0.023 0.000 1.135 343 Y CB -1.695 36.706 38.460 -0.099 0.000 0.980 343 Y HN 0.233 nan 8.280 nan 0.000 0.499 344 P HA -0.155 nan 4.420 nan 0.000 0.216 344 P C 1.204 178.617 177.300 0.187 0.000 1.150 344 P CA 2.088 65.391 63.100 0.339 0.000 0.837 344 P CB -0.089 31.805 31.700 0.323 0.000 0.786 345 R N -1.059 119.502 120.500 0.101 0.000 2.081 345 R HA -0.049 4.304 4.340 0.021 0.000 0.235 345 R C 2.392 178.690 176.300 -0.003 0.000 1.131 345 R CA 1.549 57.685 56.100 0.061 0.000 0.960 345 R CB -0.692 29.654 30.300 0.077 0.000 0.856 345 R HN 0.253 nan 8.270 nan 0.000 0.436 346 M N -1.342 118.197 119.600 -0.101 0.000 2.132 346 M HA -0.192 4.301 4.480 0.021 0.000 0.263 346 M C 1.763 177.861 176.300 -0.337 0.000 1.065 346 M CA 1.737 56.875 55.300 -0.270 0.000 1.122 346 M CB -0.289 32.050 32.600 -0.436 0.000 1.365 346 M HN 0.246 nan 8.290 nan 0.000 0.411 347 W N 0.088 121.286 121.300 -0.171 0.000 2.418 347 W HA -0.056 4.616 4.660 0.020 0.000 0.292 347 W C 2.676 179.170 176.519 -0.041 0.000 1.213 347 W CA 0.988 58.255 57.345 -0.131 0.000 1.283 347 W CB -0.275 29.087 29.460 -0.163 0.000 1.119 347 W HN 0.205 nan 8.180 nan 0.000 0.542 348 A N 0.258 123.198 122.820 0.199 0.000 1.933 348 A HA -0.058 4.274 4.320 0.021 0.000 0.218 348 A C 1.981 179.612 177.584 0.078 0.000 1.175 348 A CA 1.887 54.011 52.037 0.144 0.000 0.628 348 A CB -1.139 17.934 19.000 0.120 0.000 0.814 348 A HN 0.169 nan 8.150 nan 0.000 0.444 349 A N -0.850 121.984 122.820 0.023 0.000 2.239 349 A HA 0.178 4.511 4.320 0.021 0.000 0.209 349 A C 1.817 179.381 177.584 -0.033 0.000 1.171 349 A CA 1.340 53.368 52.037 -0.016 0.000 0.768 349 A CB -0.329 18.641 19.000 -0.050 0.000 0.790 349 A HN 0.377 nan 8.150 nan 0.000 0.478 350 S N -1.609 114.085 115.700 -0.011 0.000 2.539 350 S HA 0.411 4.894 4.470 0.021 0.000 0.221 350 S C 1.158 175.820 174.600 0.103 0.000 0.987 350 S CA 0.471 58.670 58.200 -0.002 0.000 0.929 350 S CB 0.473 63.605 63.200 -0.113 0.000 0.832 350 S HN 1.526 nan 8.310 nan 0.000 0.492 351 G N 1.114 109.979 108.800 0.108 0.000 2.130 351 G HA2 -0.204 3.768 3.960 0.021 0.000 0.216 351 G HA3 -0.204 3.768 3.960 0.021 0.000 0.216 351 G C -0.163 174.815 174.900 0.131 0.000 0.999 351 G CA -0.135 45.027 45.100 0.103 0.000 0.686 351 G HN 0.429 nan 8.290 nan 0.000 0.515 352 V N 2.289 122.316 119.914 0.189 0.000 2.357 352 V HA 0.440 4.573 4.120 0.021 0.000 0.281 352 V C 0.140 176.334 176.094 0.166 0.000 1.015 352 V CA -0.484 61.912 62.300 0.161 0.000 0.827 352 V CB 1.275 33.196 31.823 0.164 0.000 1.018 352 V HN 0.524 nan 8.190 nan 0.000 0.432 353 D N 2.190 122.667 120.400 0.128 0.000 2.360 353 D HA -0.002 4.651 4.640 0.021 0.000 0.242 353 D C 1.144 177.560 176.300 0.193 0.000 1.184 353 D CA -0.271 53.823 54.000 0.157 0.000 0.930 353 D CB 0.825 41.699 40.800 0.123 0.000 1.161 353 D HN 0.426 nan 8.370 nan 0.000 0.447 354 Y N 0.835 121.191 120.300 0.093 0.000 2.114 354 Y HA -0.143 4.420 4.550 0.021 0.000 0.282 354 Y C -0.881 175.066 175.900 0.078 0.000 1.165 354 Y CA 1.575 59.737 58.100 0.105 0.000 1.148 354 Y CB -0.891 37.628 38.460 0.099 0.000 0.972 354 Y HN 0.378 nan 8.280 nan 0.000 0.504 355 P HA -0.130 nan 4.420 nan 0.000 0.216 355 P C 1.505 178.780 177.300 -0.041 0.000 1.153 355 P CA 2.417 65.493 63.100 -0.041 0.000 0.848 355 P CB -0.120 31.608 31.700 0.047 0.000 0.787 356 T N -0.120 114.435 114.554 0.002 0.000 2.821 356 T HA -0.110 4.253 4.350 0.021 0.000 0.267 356 T C 1.657 176.326 174.700 -0.052 0.000 1.046 356 T CA 0.800 62.897 62.100 -0.006 0.000 1.139 356 T CB -0.824 68.050 68.868 0.010 0.000 0.871 356 T HN -0.016 nan 8.240 nan 0.000 0.454 357 L N 1.052 122.238 121.223 -0.062 0.000 2.017 357 L HA 0.056 4.409 4.340 0.021 0.000 0.208 357 L C 2.108 178.927 176.870 -0.085 0.000 1.073 357 L CA 1.622 56.407 54.840 -0.091 0.000 0.745 357 L CB -0.697 41.369 42.059 0.013 0.000 0.894 357 L HN 0.236 nan 8.230 nan 0.000 0.432 358 L N -0.704 120.425 121.223 -0.156 0.000 2.017 358 L HA -0.157 4.195 4.340 0.021 0.000 0.208 358 L C 2.693 179.479 176.870 -0.140 0.000 1.073 358 L CA 1.178 55.923 54.840 -0.159 0.000 0.745 358 L CB -1.086 40.765 42.059 -0.346 0.000 0.894 358 L HN 0.357 nan 8.230 nan 0.000 0.432 359 A N -0.215 122.539 122.820 -0.110 0.000 1.908 359 A HA -0.205 4.128 4.320 0.021 0.000 0.218 359 A C 2.375 179.960 177.584 0.002 0.000 1.181 359 A CA 2.382 54.417 52.037 -0.004 0.000 0.627 359 A CB -0.953 18.144 19.000 0.161 0.000 0.818 359 A HN 0.405 nan 8.150 nan 0.000 0.445 360 T N 0.049 114.578 114.554 -0.042 0.000 2.746 360 T HA -0.154 4.209 4.350 0.021 0.000 0.267 360 T C 1.932 176.582 174.700 -0.084 0.000 1.039 360 T CA 1.801 63.862 62.100 -0.065 0.000 1.142 360 T CB -0.313 68.483 68.868 -0.120 0.000 0.866 360 T HN 0.464 nan 8.240 nan 0.000 0.444 361 M N 0.193 119.733 119.600 -0.101 0.000 2.086 361 M HA 0.010 4.502 4.480 0.021 0.000 0.261 361 M C 2.231 178.424 176.300 -0.179 0.000 1.067 361 M CA 1.605 56.821 55.300 -0.140 0.000 1.116 361 M CB -0.531 31.975 32.600 -0.157 0.000 1.348 361 M HN 0.197 nan 8.290 nan 0.000 0.407 362 I N -0.131 120.335 120.570 -0.172 0.000 2.179 362 I HA -0.279 3.903 4.170 0.021 0.000 0.242 362 I C 2.486 178.574 176.117 -0.048 0.000 1.088 362 I CA 1.233 62.446 61.300 -0.144 0.000 1.357 362 I CB -0.504 37.383 38.000 -0.187 0.000 1.051 362 I HN 0.316 nan 8.210 nan 0.000 0.409 363 E N 0.411 120.610 120.200 -0.002 0.000 2.065 363 E HA -0.252 4.110 4.350 0.021 0.000 0.201 363 E C 2.202 178.785 176.600 -0.027 0.000 1.016 363 E CA 2.233 58.640 56.400 0.012 0.000 0.818 363 E CB -0.382 29.324 29.700 0.011 0.000 0.749 363 E HN 0.470 nan 8.360 nan 0.000 0.453 364 T N 0.000 114.521 114.554 -0.055 0.000 2.788 364 T HA -0.129 4.234 4.350 0.021 0.000 0.268 364 T C 1.965 176.620 174.700 -0.074 0.000 1.044 364 T CA 1.754 63.817 62.100 -0.062 0.000 1.139 364 T CB -0.303 68.522 68.868 -0.071 0.000 0.867 364 T HN 0.186 nan 8.240 nan 0.000 0.454 365 T N 0.909 115.399 114.554 -0.105 0.000 2.985 365 T HA 0.038 4.401 4.350 0.021 0.000 0.266 365 T C 1.755 176.400 174.700 -0.091 0.000 1.076 365 T CA 0.395 62.416 62.100 -0.133 0.000 1.135 365 T CB -0.252 68.496 68.868 -0.201 0.000 0.890 365 T HN 0.039 nan 8.240 nan 0.000 0.480 366 L N 1.260 122.449 121.223 -0.057 0.000 2.093 366 L HA 0.250 4.603 4.340 0.021 0.000 0.208 366 L C 2.771 179.625 176.870 -0.026 0.000 1.085 366 L CA 1.602 56.426 54.840 -0.026 0.000 0.755 366 L CB -1.069 40.992 42.059 0.003 0.000 0.904 366 L HN 0.286 nan 8.230 nan 0.000 0.435 367 A N -0.463 122.340 122.820 -0.029 0.000 2.119 367 A HA -0.133 4.199 4.320 0.021 0.000 0.217 367 A C 2.396 179.964 177.584 -0.027 0.000 1.153 367 A CA 1.303 53.326 52.037 -0.024 0.000 0.692 367 A CB -0.387 18.600 19.000 -0.022 0.000 0.799 367 A HN 0.506 nan 8.150 nan 0.000 0.458 368 R N -1.115 119.361 120.500 -0.040 0.000 2.056 368 R HA 0.332 4.685 4.340 0.021 0.000 0.215 368 R C 1.299 177.576 176.300 -0.039 0.000 1.205 368 R CA 1.053 57.128 56.100 -0.041 0.000 1.020 368 R CB -0.457 29.810 30.300 -0.055 0.000 0.911 368 R HN 0.254 nan 8.270 nan 0.000 0.451 369 G N 0.576 109.345 108.800 -0.052 0.000 2.990 369 G HA2 0.614 4.587 3.960 0.021 0.000 0.208 369 G HA3 0.614 4.587 3.960 0.021 0.000 0.208 369 G C -0.170 174.717 174.900 -0.022 0.000 1.334 369 G CA -0.314 44.761 45.100 -0.041 0.000 1.024 369 G HN 0.345 nan 8.290 nan 0.000 0.574 370 V N -1.594 118.316 119.914 -0.008 0.000 3.698 370 V HA 0.777 4.910 4.120 0.021 0.000 0.280 370 V C 1.221 177.315 176.094 0.000 0.000 0.995 370 V CA 0.467 62.766 62.300 -0.002 0.000 1.000 370 V CB 0.132 31.974 31.823 0.030 0.000 1.248 370 V HN 2.386 nan 8.190 nan 0.000 0.429 371 G N -1.406 107.400 108.800 0.009 0.000 2.479 371 G HA2 0.109 4.082 3.960 0.021 0.000 0.686 371 G HA3 0.109 4.082 3.960 0.021 0.000 0.686 371 G C -0.693 174.209 174.900 0.004 0.000 1.295 371 G CA -0.386 44.719 45.100 0.008 0.000 0.922 371 G HN 1.312 nan 8.290 nan 0.000 0.582 372 L N 1.567 122.793 121.223 0.005 0.000 2.559 372 L HA 0.501 4.854 4.340 0.021 0.000 0.282 372 L C 1.428 178.297 176.870 -0.003 0.000 1.232 372 L CA 1.329 56.171 54.840 0.004 0.000 0.885 372 L CB -0.169 41.893 42.059 0.005 0.000 1.131 372 L HN 1.425 nan 8.230 nan 0.000 0.498 373 H N 0.000 119.067 119.070 -0.005 0.000 2.539 373 H HA 0.000 4.569 4.556 0.021 0.000 0.296 373 H CA 0.000 56.043 56.048 -0.009 0.000 1.023 373 H CB 0.000 29.749 29.762 -0.021 0.000 1.292 373 H HN 0.000 nan 8.280 nan 0.000 0.496