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 1m54_1_D DATA FIRST_RESID 47 DATA SEQUENCE DAPSRCTWQL GRPASESPHH HTAPAKSPKI LPDILKKIGD TPMVRINKIG DATA SEQUENCE KKFGLKCELL AKCEFFNAGG SVKDRISLRM IEDAERDGTL KPGDTIIEPT DATA SEQUENCE SGNTGIGLAL AAAVRGYRCI IVMPEKMSSE KVDVLRALGA EIVRTPTXXX DATA SEQUENCE XXXXESHVGV AWRLKNEIPN SHILDQYRNA SNPLAHYDTT ADEILQQCDG DATA SEQUENCE KLDMLVASVG TGGTITGIAR KLKEKCPGCR IIGVDPEGSI LAEPEELNQT DATA SEQUENCE EQTTYEVEGI GYDFIPTVLD RTVVDKWFKS NDEEAFTFAR MLIAQEGLLC DATA SEQUENCE GGSAGSTVAV AVKAAQELQE GQRCVVILPD SVRNYMTKFL SDRWMLQKGF DATA SEQUENCE LKE 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 47 D HA 0.000 nan 4.640 nan 0.000 0.175 47 D C 0.000 176.353 176.300 0.089 0.000 2.045 47 D CA 0.000 54.124 54.000 0.207 0.000 0.868 47 D CB 0.000 40.944 40.800 0.241 0.000 0.688 48 A N -0.127 122.744 122.820 0.086 0.000 2.483 48 A HA 0.656 4.976 4.320 -0.000 0.000 0.306 48 A C -2.688 174.926 177.584 0.051 0.000 1.137 48 A CA -0.742 51.317 52.037 0.037 0.000 0.626 48 A CB 0.084 19.090 19.000 0.010 0.000 1.352 48 A HN -0.118 nan 8.150 nan 0.000 0.508 49 P HA 0.105 nan 4.420 nan 0.000 0.269 49 P C -0.245 177.086 177.300 0.052 0.000 1.200 49 P CA 0.560 63.685 63.100 0.041 0.000 0.779 49 P CB 0.213 31.930 31.700 0.028 0.000 0.841 50 S N 1.014 116.748 115.700 0.057 0.000 2.429 50 S HA 0.410 4.880 4.470 -0.000 0.000 0.302 50 S C 0.601 175.238 174.600 0.061 0.000 1.115 50 S CA -0.772 57.465 58.200 0.061 0.000 1.095 50 S CB 1.621 64.861 63.200 0.066 0.000 0.987 50 S HN 0.213 nan 8.310 nan 0.000 0.474 51 R N 0.620 121.155 120.500 0.059 0.000 2.240 51 R HA 0.141 4.481 4.340 -0.000 0.000 0.203 51 R C 0.853 177.196 176.300 0.071 0.000 1.011 51 R CA 0.059 56.192 56.100 0.055 0.000 1.007 51 R CB -0.577 29.750 30.300 0.045 0.000 0.911 51 R HN 0.789 nan 8.270 nan 0.000 0.468 52 C N 2.566 121.921 119.300 0.092 0.000 2.378 52 C HA -0.041 4.419 4.460 -0.000 0.000 0.395 52 C C 1.080 176.155 174.990 0.142 0.000 1.476 52 C CA 0.479 59.575 59.018 0.130 0.000 1.541 52 C CB -0.512 27.314 27.740 0.143 0.000 2.524 52 C HN 0.576 nan 8.230 nan 0.000 0.595 53 T N 4.311 118.950 114.554 0.141 0.000 3.262 53 T HA 0.438 4.787 4.350 -0.000 0.000 0.374 53 T C -0.906 173.913 174.700 0.199 0.000 1.504 53 T CA -0.435 61.741 62.100 0.127 0.000 1.158 53 T CB 0.001 68.906 68.868 0.062 0.000 1.157 53 T HN 0.821 nan 8.240 nan 0.000 0.644 54 W N 2.362 123.678 121.300 0.026 0.000 2.844 54 W HA 0.630 5.289 4.660 -0.000 0.000 0.340 54 W C -1.290 175.243 176.519 0.024 0.000 1.093 54 W CA -0.625 56.735 57.345 0.026 0.000 1.212 54 W CB 1.763 31.237 29.460 0.023 0.000 1.422 54 W HN 0.547 nan 8.180 nan 0.000 0.515 55 Q N 4.041 123.365 119.800 -0.793 0.000 2.426 55 Q HA 0.223 4.563 4.340 -0.000 0.000 0.278 55 Q C -1.482 173.851 176.000 -1.112 0.000 1.007 55 Q CA -1.256 54.098 55.803 -0.749 0.000 0.850 55 Q CB 2.507 31.054 28.738 -0.318 0.000 1.427 55 Q HN 0.539 nan 8.270 nan 0.000 0.391 56 L N 1.709 122.422 121.223 -0.849 0.000 2.451 56 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 56 L C 0.575 177.261 176.870 -0.306 0.000 1.258 56 L CA 1.486 55.986 54.840 -0.566 0.000 1.132 56 L CB -0.603 41.301 42.059 -0.259 0.000 1.361 56 L HN 0.912 nan 8.230 nan 0.000 0.438 57 G N 3.313 111.936 108.800 -0.295 0.000 4.470 57 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.220 57 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.220 57 G C 0.130 174.947 174.900 -0.138 0.000 0.780 57 G CA -0.745 44.258 45.100 -0.161 0.000 0.977 57 G HN 0.336 nan 8.290 nan 0.000 0.749 58 R N 1.301 121.687 120.500 -0.189 0.000 2.229 58 R HA 0.414 4.754 4.340 -0.000 0.000 0.328 58 R C -2.551 173.734 176.300 -0.026 0.000 1.009 58 R CA -1.440 54.593 56.100 -0.113 0.000 0.864 58 R CB 1.134 31.344 30.300 -0.150 0.000 1.085 58 R HN 0.034 nan 8.270 nan 0.000 0.453 59 P HA -0.088 nan 4.420 nan 0.000 0.264 59 P C 0.519 177.879 177.300 0.099 0.000 1.179 59 P CA 0.350 63.477 63.100 0.046 0.000 0.763 59 P CB 0.701 32.420 31.700 0.032 0.000 0.806 60 A N 3.200 126.103 122.820 0.139 0.000 1.903 60 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 60 A C 2.179 179.870 177.584 0.178 0.000 1.191 60 A CA 2.532 54.698 52.037 0.215 0.000 0.638 60 A CB -1.747 17.381 19.000 0.212 0.000 0.823 60 A HN 0.636 nan 8.150 nan 0.000 0.451 61 S N -0.351 115.418 115.700 0.115 0.000 2.440 61 S HA -0.219 4.251 4.470 -0.000 0.000 0.240 61 S C 1.445 176.076 174.600 0.052 0.000 1.014 61 S CA 1.535 59.782 58.200 0.078 0.000 0.980 61 S CB -0.431 62.801 63.200 0.053 0.000 0.775 61 S HN 0.705 nan 8.310 nan 0.000 0.499 62 E N 1.384 121.619 120.200 0.058 0.000 2.512 62 E HA 0.074 4.424 4.350 -0.000 0.000 0.195 62 E C -0.578 176.033 176.600 0.018 0.000 1.083 62 E CA -0.118 56.301 56.400 0.031 0.000 0.873 62 E CB 0.115 29.831 29.700 0.027 0.000 0.897 62 E HN 0.589 nan 8.360 nan 0.000 0.514 63 S N 0.682 116.392 115.700 0.017 0.000 2.489 63 S HA 0.238 4.708 4.470 -0.000 0.000 0.291 63 S C -1.890 172.603 174.600 -0.177 0.000 1.151 63 S CA -1.324 56.839 58.200 -0.062 0.000 1.082 63 S CB 1.549 64.756 63.200 0.011 0.000 1.019 63 S HN 0.037 nan 8.310 nan 0.000 0.492 64 P HA -0.015 nan 4.420 nan 0.000 0.217 64 P C -0.123 177.037 177.300 -0.233 0.000 1.151 64 P CA 0.862 63.792 63.100 -0.282 0.000 0.828 64 P CB -0.022 31.441 31.700 -0.395 0.000 0.788 65 H N 0.009 118.986 119.070 -0.155 0.000 3.091 65 H HA -0.031 4.525 4.556 -0.000 0.000 0.289 65 H C 0.486 175.654 175.328 -0.266 0.000 0.995 65 H CA 0.072 56.004 56.048 -0.193 0.000 1.461 65 H CB -0.588 29.050 29.762 -0.207 0.000 1.510 65 H HN 0.213 nan 8.280 nan 0.000 0.546 66 H N 5.285 124.346 119.070 -0.017 0.000 3.205 66 H HA 0.035 4.591 4.556 -0.000 0.000 0.262 66 H C -0.236 175.148 175.328 0.093 0.000 1.333 66 H CA -0.306 55.743 56.048 0.001 0.000 1.499 66 H CB -0.580 29.195 29.762 0.021 0.000 1.609 66 H HN 0.452 nan 8.280 nan 0.000 0.498 67 H N 3.088 122.194 119.070 0.059 0.000 2.690 67 H HA 0.224 4.780 4.556 0.000 0.000 0.365 67 H C 0.271 175.539 175.328 -0.101 0.000 1.142 67 H CA 0.177 56.230 56.048 0.008 0.000 1.417 67 H CB 0.825 30.665 29.762 0.131 0.000 1.446 67 H HN 0.618 nan 8.280 nan 0.000 0.599 68 T N 1.164 115.733 114.554 0.026 0.000 2.876 68 T HA 0.598 4.948 4.350 -0.000 0.000 0.289 68 T C 0.127 174.820 174.700 -0.012 0.000 1.014 68 T CA -0.717 61.362 62.100 -0.036 0.000 0.986 68 T CB 1.847 70.654 68.868 -0.101 0.000 1.021 68 T HN 0.725 nan 8.240 nan 0.000 0.458 69 A N 3.479 126.300 122.820 0.002 0.000 2.287 69 A HA 0.759 5.079 4.320 -0.000 0.000 0.273 69 A C -2.237 175.333 177.584 -0.023 0.000 1.091 69 A CA -1.189 50.842 52.037 -0.010 0.000 0.817 69 A CB -0.509 18.496 19.000 0.008 0.000 1.069 69 A HN 0.581 nan 8.150 nan 0.000 0.492 70 P HA 0.534 nan 4.420 nan 0.000 0.279 70 P C -0.933 176.356 177.300 -0.018 0.000 1.282 70 P CA -0.163 62.919 63.100 -0.030 0.000 0.788 70 P CB 0.798 32.475 31.700 -0.038 0.000 1.139 71 A N 0.418 123.228 122.820 -0.017 0.000 2.359 71 A HA 0.478 4.798 4.320 -0.000 0.000 0.303 71 A C -0.598 176.979 177.584 -0.012 0.000 1.066 71 A CA -0.715 51.316 52.037 -0.011 0.000 0.730 71 A CB 0.807 19.802 19.000 -0.008 0.000 1.211 71 A HN 0.278 nan 8.150 nan 0.000 0.439 72 K N 1.426 121.820 120.400 -0.010 0.000 2.326 72 K HA 0.207 4.527 4.320 -0.000 0.000 0.275 72 K C 0.553 177.146 176.600 -0.010 0.000 1.018 72 K CA -0.069 56.212 56.287 -0.011 0.000 0.962 72 K CB 0.948 33.442 32.500 -0.010 0.000 0.953 72 K HN 0.607 nan 8.250 nan 0.000 0.475 73 S N 2.670 118.363 115.700 -0.012 0.000 2.549 73 S HA 0.129 4.599 4.470 -0.000 0.000 0.286 73 S C -1.909 172.684 174.600 -0.012 0.000 1.314 73 S CA -0.982 57.210 58.200 -0.013 0.000 1.062 73 S CB -0.005 63.185 63.200 -0.017 0.000 0.865 73 S HN 0.251 nan 8.310 nan 0.000 0.498 74 P HA 0.274 nan 4.420 nan 0.000 0.274 74 P C 0.504 177.797 177.300 -0.011 0.000 1.246 74 P CA -0.483 62.611 63.100 -0.009 0.000 0.795 74 P CB 0.535 32.230 31.700 -0.008 0.000 1.006 75 K N 0.245 120.640 120.400 -0.010 0.000 1.980 75 K HA 0.045 4.365 4.320 -0.000 0.000 0.208 75 K C 0.959 177.553 176.600 -0.011 0.000 1.043 75 K CA 1.025 57.305 56.287 -0.011 0.000 0.938 75 K CB -0.207 32.288 32.500 -0.009 0.000 0.724 75 K HN 0.345 nan 8.250 nan 0.000 0.438 76 I N 0.944 121.508 120.570 -0.009 0.000 3.062 76 I HA 0.228 4.397 4.170 -0.000 0.000 0.318 76 I C -0.482 175.630 176.117 -0.009 0.000 1.026 76 I CA -0.993 60.302 61.300 -0.009 0.000 1.096 76 I CB 1.071 39.067 38.000 -0.008 0.000 1.348 76 I HN -0.010 nan 8.210 nan 0.000 0.543 77 L N 2.752 123.970 121.223 -0.009 0.000 2.410 77 L HA 0.427 4.767 4.340 -0.000 0.000 0.270 77 L C -1.677 175.188 176.870 -0.008 0.000 0.983 77 L CA -1.145 53.690 54.840 -0.008 0.000 0.822 77 L CB 1.349 43.403 42.059 -0.008 0.000 1.285 77 L HN 0.385 nan 8.230 nan 0.000 0.409 78 P HA -0.119 nan 4.420 nan 0.000 0.215 78 P C -0.434 176.859 177.300 -0.012 0.000 1.157 78 P CA 1.301 64.395 63.100 -0.010 0.000 0.868 78 P CB 0.018 31.712 31.700 -0.010 0.000 0.788 79 D N -2.942 117.451 120.400 -0.012 0.000 2.626 79 D HA 0.204 4.843 4.640 -0.000 0.000 0.278 79 D C 0.286 176.580 176.300 -0.010 0.000 1.211 79 D CA -0.843 53.149 54.000 -0.014 0.000 0.903 79 D CB 0.080 40.868 40.800 -0.021 0.000 1.408 79 D HN -0.238 nan 8.370 nan 0.000 0.454 80 I N 0.095 120.660 120.570 -0.008 0.000 3.334 80 I HA 0.105 4.275 4.170 -0.000 0.000 0.282 80 I C 1.021 177.139 176.117 0.001 0.000 1.313 80 I CA 0.626 61.925 61.300 -0.002 0.000 1.396 80 I CB -0.444 37.558 38.000 0.003 0.000 1.054 80 I HN 0.488 nan 8.210 nan 0.000 0.495 81 L N -0.141 121.079 121.223 -0.005 0.000 2.395 81 L HA -0.040 4.300 4.340 -0.000 0.000 0.218 81 L C 1.821 178.689 176.870 -0.002 0.000 1.130 81 L CA 0.403 55.241 54.840 -0.003 0.000 0.826 81 L CB -0.587 41.465 42.059 -0.010 0.000 0.941 81 L HN 0.085 nan 8.230 nan 0.000 0.451 82 K N 0.378 120.776 120.400 -0.004 0.000 2.525 82 K HA -0.071 4.249 4.320 -0.000 0.000 0.192 82 K C 1.157 177.757 176.600 -0.001 0.000 1.029 82 K CA 0.431 56.716 56.287 -0.004 0.000 1.029 82 K CB -0.037 32.459 32.500 -0.005 0.000 0.814 82 K HN -0.036 nan 8.250 nan 0.000 0.503 83 K N 1.315 121.717 120.400 0.004 0.000 2.570 83 K HA 0.270 4.590 4.320 -0.000 0.000 0.210 83 K C -0.396 176.216 176.600 0.022 0.000 1.048 83 K CA -0.102 56.192 56.287 0.011 0.000 1.167 83 K CB -0.107 32.401 32.500 0.013 0.000 0.892 83 K HN -0.010 nan 8.250 nan 0.000 0.480 84 I N 0.541 121.120 120.570 0.015 0.000 2.378 84 I HA 0.497 4.667 4.170 -0.000 0.000 0.291 84 I C 0.553 176.677 176.117 0.012 0.000 0.992 84 I CA -0.382 60.929 61.300 0.019 0.000 1.154 84 I CB 1.493 39.500 38.000 0.011 0.000 1.315 84 I HN 0.354 nan 8.210 nan 0.000 0.448 85 G N 4.572 113.384 108.800 0.020 0.000 2.610 85 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.304 85 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.304 85 G C 0.017 174.922 174.900 0.009 0.000 1.309 85 G CA -0.035 45.071 45.100 0.011 0.000 0.906 85 G HN 0.841 nan 8.290 nan 0.000 0.521 86 D N -1.012 119.387 120.400 -0.002 0.000 2.983 86 D HA -0.163 4.477 4.640 -0.000 0.000 0.225 86 D C 1.176 177.478 176.300 0.003 0.000 1.174 86 D CA 3.125 57.122 54.000 -0.006 0.000 0.831 86 D CB -1.437 39.358 40.800 -0.008 0.000 1.104 86 D HN 1.694 nan 8.370 nan 0.000 0.421 87 T N -2.378 112.182 114.554 0.010 0.000 2.791 87 T HA 0.383 4.733 4.350 -0.000 0.000 0.323 87 T C -2.015 172.698 174.700 0.021 0.000 1.082 87 T CA -0.937 61.182 62.100 0.032 0.000 1.084 87 T CB 1.257 70.124 68.868 -0.001 0.000 0.992 87 T HN 0.095 nan 8.240 nan 0.000 0.547 88 P HA 0.385 nan 4.420 nan 0.000 0.284 88 P C -1.093 176.211 177.300 0.006 0.000 1.258 88 P CA -0.877 62.254 63.100 0.051 0.000 0.824 88 P CB 0.948 32.718 31.700 0.117 0.000 1.038 89 M N 3.238 122.838 119.600 -0.001 0.000 2.072 89 M HA 0.313 4.793 4.480 -0.000 0.000 0.331 89 M C -1.691 174.613 176.300 0.006 0.000 1.004 89 M CA -0.545 54.743 55.300 -0.019 0.000 0.952 89 M CB 0.462 33.047 32.600 -0.025 0.000 1.511 89 M HN -0.017 nan 8.290 nan 0.000 0.422 90 V N 5.591 125.513 119.914 0.013 0.000 2.448 90 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 90 V C 0.071 176.182 176.094 0.028 0.000 1.025 90 V CA -0.905 61.419 62.300 0.041 0.000 0.859 90 V CB 1.577 33.456 31.823 0.093 0.000 0.988 90 V HN 0.831 nan 8.190 nan 0.000 0.431 91 R N 4.629 125.144 120.500 0.025 0.000 2.623 91 R HA 0.206 4.546 4.340 -0.000 0.000 0.271 91 R C -0.688 175.629 176.300 0.027 0.000 1.043 91 R CA -0.245 55.866 56.100 0.018 0.000 1.083 91 R CB 0.373 30.682 30.300 0.016 0.000 0.974 91 R HN 0.537 nan 8.270 nan 0.000 0.436 92 I N 4.430 125.011 120.570 0.020 0.000 2.385 92 I HA 0.105 4.275 4.170 -0.000 0.000 0.294 92 I C 0.366 176.498 176.117 0.026 0.000 0.988 92 I CA -0.079 61.236 61.300 0.026 0.000 1.265 92 I CB 1.508 39.517 38.000 0.016 0.000 1.388 92 I HN 0.814 nan 8.210 nan 0.000 0.480 93 N N 3.001 121.720 118.700 0.031 0.000 2.325 93 N HA 0.054 4.794 4.740 -0.000 0.000 0.220 93 N C 1.004 176.535 175.510 0.036 0.000 1.176 93 N CA -0.077 52.991 53.050 0.030 0.000 0.861 93 N CB 0.627 39.129 38.487 0.026 0.000 1.230 93 N HN 0.356 nan 8.380 nan 0.000 0.479 94 K N 0.969 121.392 120.400 0.039 0.000 2.121 94 K HA 0.305 4.625 4.320 -0.000 0.000 0.203 94 K C 1.543 178.188 176.600 0.075 0.000 1.041 94 K CA 0.462 56.774 56.287 0.042 0.000 0.969 94 K CB 0.045 32.561 32.500 0.027 0.000 0.799 94 K HN 0.005 nan 8.250 nan 0.000 0.456 95 I N 0.716 121.337 120.570 0.084 0.000 2.361 95 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 95 I C 2.022 178.259 176.117 0.199 0.000 1.133 95 I CA 1.177 62.569 61.300 0.153 0.000 1.413 95 I CB -0.599 37.438 38.000 0.061 0.000 1.073 95 I HN 0.276 nan 8.210 nan 0.000 0.424 96 G N 1.469 110.331 108.800 0.103 0.000 2.808 96 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.211 96 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.211 96 G C 1.500 176.492 174.900 0.154 0.000 1.364 96 G CA 0.404 45.556 45.100 0.086 0.000 0.824 96 G HN 0.180 nan 8.290 nan 0.000 0.630 97 K N 0.595 121.056 120.400 0.103 0.000 2.228 97 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 97 K C 2.118 178.780 176.600 0.103 0.000 1.045 97 K CA 1.339 57.680 56.287 0.089 0.000 0.931 97 K CB -0.240 32.290 32.500 0.050 0.000 0.727 97 K HN 0.275 nan 8.250 nan 0.000 0.458 98 K N 0.331 120.810 120.400 0.132 0.000 2.515 98 K HA -0.051 4.269 4.320 -0.000 0.000 0.196 98 K C 0.827 177.387 176.600 -0.066 0.000 1.038 98 K CA 0.790 57.093 56.287 0.027 0.000 0.967 98 K CB -0.056 32.442 32.500 -0.004 0.000 0.780 98 K HN 0.065 nan 8.250 nan 0.000 0.483 99 F N -2.398 117.552 119.950 0.000 0.000 2.728 99 F HA 0.323 4.850 4.527 -0.000 0.000 0.314 99 F C 1.526 177.332 175.800 0.009 0.000 1.094 99 F CA 0.272 58.278 58.000 0.011 0.000 1.217 99 F CB 1.455 40.473 39.000 0.030 0.000 1.056 99 F HN 0.124 nan 8.300 nan 0.000 0.577 100 G N 0.126 109.024 108.800 0.163 0.000 2.561 100 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.203 100 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.203 100 G C -0.077 174.869 174.900 0.078 0.000 1.101 100 G CA -0.542 44.615 45.100 0.095 0.000 0.711 100 G HN -0.025 nan 8.290 nan 0.000 0.511 101 L N 1.576 122.851 121.223 0.086 0.000 3.184 101 L HA -0.049 4.291 4.340 -0.000 0.000 0.355 101 L C 1.727 178.618 176.870 0.036 0.000 1.167 101 L CA 1.769 56.638 54.840 0.047 0.000 0.816 101 L CB 0.096 42.175 42.059 0.034 0.000 1.165 101 L HN 0.572 nan 8.230 nan 0.000 0.603 102 K N 2.061 122.476 120.400 0.024 0.000 2.323 102 K HA 0.069 4.389 4.320 -0.000 0.000 0.197 102 K C 0.928 177.535 176.600 0.012 0.000 1.043 102 K CA 0.560 56.858 56.287 0.019 0.000 0.997 102 K CB 0.143 32.653 32.500 0.016 0.000 0.807 102 K HN 0.875 nan 8.250 nan 0.000 0.497 103 C N 0.753 120.057 119.300 0.008 0.000 2.560 103 C HA 0.310 4.770 4.460 -0.000 0.000 0.334 103 C C 0.562 175.552 174.990 -0.001 0.000 1.404 103 C CA -1.067 57.951 59.018 0.001 0.000 2.410 103 C CB 0.575 28.311 27.740 -0.007 0.000 2.268 103 C HN 0.383 nan 8.230 nan 0.000 0.673 104 E N -0.350 119.846 120.200 -0.006 0.000 2.248 104 E HA 0.558 4.908 4.350 -0.000 0.000 0.272 104 E C -1.487 175.103 176.600 -0.016 0.000 1.008 104 E CA -0.693 55.703 56.400 -0.007 0.000 0.856 104 E CB 1.297 30.993 29.700 -0.006 0.000 1.120 104 E HN 0.696 nan 8.360 nan 0.000 0.397 105 L N 5.722 126.935 121.223 -0.016 0.000 2.433 105 L HA 0.318 4.658 4.340 -0.000 0.000 0.256 105 L C -1.525 175.330 176.870 -0.025 0.000 1.063 105 L CA -0.269 54.555 54.840 -0.028 0.000 0.922 105 L CB 0.791 42.831 42.059 -0.032 0.000 1.238 105 L HN 0.559 nan 8.230 nan 0.000 0.466 106 L N 4.329 125.534 121.223 -0.030 0.000 2.295 106 L HA 0.540 4.880 4.340 -0.000 0.000 0.288 106 L C 0.533 177.376 176.870 -0.045 0.000 1.079 106 L CA -0.356 54.467 54.840 -0.030 0.000 0.830 106 L CB 0.903 42.944 42.059 -0.029 0.000 1.200 106 L HN 0.675 nan 8.230 nan 0.000 0.438 107 A N 4.828 127.622 122.820 -0.043 0.000 2.260 107 A HA 0.334 4.654 4.320 -0.000 0.000 0.312 107 A C 0.090 177.614 177.584 -0.100 0.000 1.321 107 A CA -0.723 51.273 52.037 -0.068 0.000 0.928 107 A CB 0.306 19.277 19.000 -0.048 0.000 1.158 107 A HN 0.505 nan 8.150 nan 0.000 0.542 108 K N 2.135 122.462 120.400 -0.123 0.000 2.315 108 K HA 0.029 4.349 4.320 -0.000 0.000 0.281 108 K C -0.474 175.965 176.600 -0.268 0.000 1.086 108 K CA 0.211 56.408 56.287 -0.150 0.000 1.042 108 K CB -0.116 32.304 32.500 -0.134 0.000 0.949 108 K HN 0.708 nan 8.250 nan 0.000 0.450 109 C N 3.500 122.595 119.300 -0.342 0.000 2.595 109 C HA 0.057 4.517 4.460 -0.000 0.000 0.374 109 C C 1.748 176.309 174.990 -0.716 0.000 1.250 109 C CA -0.375 58.142 59.018 -0.834 0.000 1.595 109 C CB -1.049 26.192 27.740 -0.832 0.000 2.257 109 C HN 0.688 nan 8.230 nan 0.000 0.568 110 E N 1.294 121.082 120.200 -0.687 0.000 2.479 110 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 110 E C 1.082 177.515 176.600 -0.278 0.000 1.049 110 E CA 0.213 56.409 56.400 -0.339 0.000 0.870 110 E CB -0.052 29.531 29.700 -0.194 0.000 0.944 110 E HN 0.779 nan 8.360 nan 0.000 0.492 111 F N -1.867 117.942 119.950 -0.235 0.000 2.731 111 F HA 0.297 4.823 4.527 -0.001 0.000 0.304 111 F C 0.422 176.099 175.800 -0.205 0.000 1.133 111 F CA -0.312 57.546 58.000 -0.235 0.000 1.380 111 F CB -1.027 37.794 39.000 -0.297 0.000 1.079 111 F HN -0.083 nan 8.300 nan 0.000 0.550 112 F N 0.833 120.841 119.950 0.098 0.000 2.750 112 F HA 0.287 4.814 4.527 -0.000 0.000 0.297 112 F C 0.515 176.343 175.800 0.046 0.000 1.138 112 F CA -0.758 57.302 58.000 0.100 0.000 1.346 112 F CB -0.150 38.873 39.000 0.038 0.000 0.965 112 F HN -0.067 nan 8.300 nan 0.000 0.514 113 N N 0.308 119.131 118.700 0.205 0.000 2.472 113 N HA 0.300 5.040 4.740 -0.000 0.000 0.289 113 N C 1.073 176.647 175.510 0.108 0.000 1.156 113 N CA 0.333 53.457 53.050 0.123 0.000 0.940 113 N CB 1.631 40.166 38.487 0.080 0.000 1.200 113 N HN 0.147 nan 8.380 nan 0.000 0.511 114 A N 1.774 124.637 122.820 0.072 0.000 1.923 114 A HA -0.235 4.085 4.320 -0.000 0.000 0.222 114 A C 1.872 179.491 177.584 0.059 0.000 1.258 114 A CA 2.701 54.771 52.037 0.055 0.000 0.670 114 A CB -1.288 17.733 19.000 0.034 0.000 0.834 114 A HN 0.759 nan 8.150 nan 0.000 0.470 115 G N -3.327 105.506 108.800 0.054 0.000 2.494 115 G HA2 0.345 4.305 3.960 -0.000 0.000 0.216 115 G HA3 0.345 4.305 3.960 -0.000 0.000 0.216 115 G C 1.344 176.282 174.900 0.065 0.000 1.140 115 G CA 1.161 46.291 45.100 0.050 0.000 0.801 115 G HN 1.852 nan 8.290 nan 0.000 0.536 116 G N -0.761 108.092 108.800 0.087 0.000 2.238 116 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.217 116 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.217 116 G C 0.525 175.486 174.900 0.102 0.000 0.996 116 G CA 0.599 45.765 45.100 0.110 0.000 0.632 116 G HN 1.472 nan 8.290 nan 0.000 0.503 117 S N -0.159 115.587 115.700 0.075 0.000 2.451 117 S HA 0.634 5.104 4.470 -0.000 0.000 0.301 117 S C 1.170 175.805 174.600 0.058 0.000 1.116 117 S CA 0.224 58.465 58.200 0.069 0.000 1.093 117 S CB 2.313 65.547 63.200 0.056 0.000 1.017 117 S HN 1.393 nan 8.310 nan 0.000 0.482 118 V N 2.778 122.722 119.914 0.051 0.000 2.660 118 V HA -0.154 3.966 4.120 -0.000 0.000 0.257 118 V C 1.635 177.793 176.094 0.107 0.000 1.088 118 V CA 1.734 64.069 62.300 0.059 0.000 1.106 118 V CB -0.816 31.016 31.823 0.014 0.000 0.686 118 V HN 0.933 nan 8.190 nan 0.000 0.481 119 K N -0.064 120.380 120.400 0.073 0.000 2.522 119 K HA -0.000 4.319 4.320 -0.000 0.000 0.194 119 K C 0.880 177.494 176.600 0.023 0.000 1.026 119 K CA 0.584 56.902 56.287 0.051 0.000 1.119 119 K CB -0.030 32.487 32.500 0.028 0.000 0.856 119 K HN 0.513 nan 8.250 nan 0.000 0.513 120 D N 0.579 120.997 120.400 0.031 0.000 2.305 120 D HA -0.011 4.629 4.640 -0.000 0.000 0.206 120 D C 1.632 177.931 176.300 -0.001 0.000 0.974 120 D CA 0.593 54.605 54.000 0.019 0.000 0.871 120 D CB 0.262 41.080 40.800 0.031 0.000 0.947 120 D HN 0.091 nan 8.370 nan 0.000 0.516 121 R N 0.325 120.822 120.500 -0.006 0.000 2.073 121 R HA 0.016 4.356 4.340 -0.000 0.000 0.229 121 R C 2.352 178.572 176.300 -0.132 0.000 1.120 121 R CA 0.901 56.965 56.100 -0.060 0.000 0.967 121 R CB -0.169 30.098 30.300 -0.055 0.000 0.862 121 R HN 0.323 nan 8.270 nan 0.000 0.436 122 I N -2.639 117.846 120.570 -0.142 0.000 3.030 122 I HA 0.064 4.234 4.170 -0.000 0.000 0.270 122 I C 1.562 177.634 176.117 -0.074 0.000 1.211 122 I CA 0.882 62.092 61.300 -0.151 0.000 1.479 122 I CB 0.115 38.023 38.000 -0.153 0.000 1.105 122 I HN -0.151 nan 8.210 nan 0.000 0.447 123 S N 1.435 117.111 115.700 -0.040 0.000 2.423 123 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 123 S C 1.738 176.338 174.600 -0.000 0.000 1.014 123 S CA 1.617 59.811 58.200 -0.010 0.000 0.965 123 S CB -0.280 62.923 63.200 0.006 0.000 0.785 123 S HN 0.544 nan 8.310 nan 0.000 0.495 124 L N 1.231 122.445 121.223 -0.015 0.000 2.269 124 L HA 0.372 4.712 4.340 -0.000 0.000 0.200 124 L C 2.061 178.921 176.870 -0.016 0.000 1.069 124 L CA 1.275 56.111 54.840 -0.007 0.000 0.804 124 L CB -0.681 41.371 42.059 -0.012 0.000 0.987 124 L HN -0.045 nan 8.230 nan 0.000 0.468 125 R N -0.185 120.287 120.500 -0.048 0.000 2.117 125 R HA -0.155 4.185 4.340 -0.000 0.000 0.243 125 R C 2.007 178.285 176.300 -0.037 0.000 1.143 125 R CA 2.254 58.319 56.100 -0.057 0.000 0.968 125 R CB -0.484 29.755 30.300 -0.102 0.000 0.863 125 R HN 0.452 nan 8.270 nan 0.000 0.444 126 M N -0.812 118.768 119.600 -0.032 0.000 2.074 126 M HA -0.061 4.419 4.480 -0.000 0.000 0.258 126 M C 2.206 178.513 176.300 0.013 0.000 1.083 126 M CA 1.686 56.977 55.300 -0.015 0.000 1.128 126 M CB -0.400 32.191 32.600 -0.015 0.000 1.301 126 M HN 0.056 nan 8.290 nan 0.000 0.417 127 I N 0.011 120.605 120.570 0.039 0.000 2.381 127 I HA -0.290 3.880 4.170 -0.000 0.000 0.255 127 I C 1.919 178.089 176.117 0.089 0.000 1.140 127 I CA 1.396 62.751 61.300 0.090 0.000 1.404 127 I CB -0.473 37.613 38.000 0.143 0.000 1.075 127 I HN 0.437 nan 8.210 nan 0.000 0.433 128 E N -0.064 120.167 120.200 0.051 0.000 2.474 128 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 128 E C 0.841 177.469 176.600 0.047 0.000 1.041 128 E CA 0.165 56.595 56.400 0.050 0.000 0.874 128 E CB 0.318 30.035 29.700 0.030 0.000 0.914 128 E HN 0.388 nan 8.360 nan 0.000 0.498 129 D N -0.576 119.843 120.400 0.032 0.000 2.392 129 D HA 0.088 4.728 4.640 -0.000 0.000 0.206 129 D C 1.400 177.715 176.300 0.024 0.000 1.046 129 D CA 0.310 54.333 54.000 0.039 0.000 0.865 129 D CB 0.452 41.262 40.800 0.017 0.000 0.969 129 D HN 0.108 nan 8.370 nan 0.000 0.509 130 A N 0.475 123.297 122.820 0.003 0.000 2.021 130 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 130 A C 1.874 179.436 177.584 -0.037 0.000 1.163 130 A CA 0.739 52.748 52.037 -0.046 0.000 0.676 130 A CB -0.090 18.860 19.000 -0.083 0.000 0.818 130 A HN 0.075 nan 8.150 nan 0.000 0.453 131 E N -0.635 119.578 120.200 0.022 0.000 2.170 131 E HA -0.068 4.281 4.350 -0.000 0.000 0.191 131 E C 2.166 178.789 176.600 0.038 0.000 0.981 131 E CA 0.422 56.852 56.400 0.050 0.000 0.830 131 E CB -0.059 29.707 29.700 0.110 0.000 0.775 131 E HN 0.536 nan 8.360 nan 0.000 0.470 132 R N 1.086 121.613 120.500 0.045 0.000 2.081 132 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 132 R C 1.168 177.483 176.300 0.026 0.000 1.131 132 R CA 1.397 57.529 56.100 0.054 0.000 0.960 132 R CB 0.130 30.492 30.300 0.103 0.000 0.856 132 R HN 0.021 nan 8.270 nan 0.000 0.436 133 D N -0.918 119.489 120.400 0.012 0.000 2.324 133 D HA 0.068 4.708 4.640 -0.000 0.000 0.235 133 D C 0.715 177.000 176.300 -0.024 0.000 1.095 133 D CA 0.878 54.873 54.000 -0.008 0.000 0.871 133 D CB 0.495 41.287 40.800 -0.015 0.000 0.906 133 D HN 0.559 nan 8.370 nan 0.000 0.522 134 G N 1.178 109.967 108.800 -0.017 0.000 2.205 134 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.269 134 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.269 134 G C 1.285 176.160 174.900 -0.041 0.000 0.977 134 G CA 1.397 46.487 45.100 -0.018 0.000 0.652 134 G HN 0.433 nan 8.290 nan 0.000 0.539 135 T N -2.321 112.180 114.554 -0.089 0.000 3.057 135 T HA 0.412 4.762 4.350 -0.000 0.000 0.254 135 T C 1.111 175.621 174.700 -0.317 0.000 1.094 135 T CA 0.732 62.728 62.100 -0.172 0.000 1.088 135 T CB 0.422 69.165 68.868 -0.209 0.000 0.934 135 T HN 0.489 nan 8.240 nan 0.000 0.497 136 L N 2.583 123.676 121.223 -0.218 0.000 2.536 136 L HA 0.465 4.805 4.340 -0.000 0.000 0.242 136 L C -0.169 176.655 176.870 -0.076 0.000 1.280 136 L CA -0.975 53.739 54.840 -0.209 0.000 1.221 136 L CB -1.128 40.855 42.059 -0.127 0.000 1.449 136 L HN 0.018 nan 8.230 nan 0.000 0.405 137 K N 2.923 123.319 120.400 -0.006 0.000 2.527 137 K HA 0.036 4.356 4.320 -0.000 0.000 0.278 137 K C -2.135 174.491 176.600 0.044 0.000 0.981 137 K CA -0.970 55.338 56.287 0.034 0.000 1.009 137 K CB -0.202 32.329 32.500 0.053 0.000 0.895 137 K HN 0.294 nan 8.250 nan 0.000 0.493 138 P HA -0.110 nan 4.420 nan 0.000 0.267 138 P C 0.331 177.804 177.300 0.287 0.000 1.195 138 P CA 0.889 64.180 63.100 0.319 0.000 0.773 138 P CB 0.409 32.222 31.700 0.188 0.000 0.837 139 G N 1.104 110.204 108.800 0.501 0.000 2.361 139 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.294 139 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.294 139 G C 0.223 175.219 174.900 0.159 0.000 1.004 139 G CA 0.399 45.707 45.100 0.346 0.000 0.870 139 G HN 0.460 nan 8.290 nan 0.000 0.510 140 D N -0.618 119.757 120.400 -0.042 0.000 2.425 140 D HA 0.630 5.269 4.640 -0.000 0.000 0.274 140 D C 0.894 177.109 176.300 -0.143 0.000 1.242 140 D CA 0.461 54.365 54.000 -0.161 0.000 1.060 140 D CB 0.410 41.078 40.800 -0.219 0.000 1.112 140 D HN 0.072 nan 8.370 nan 0.000 0.561 141 T N 0.198 114.650 114.554 -0.169 0.000 2.841 141 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 141 T C -0.273 174.377 174.700 -0.084 0.000 1.000 141 T CA -0.507 61.535 62.100 -0.095 0.000 0.977 141 T CB 0.742 69.557 68.868 -0.089 0.000 0.979 141 T HN 0.126 nan 8.240 nan 0.000 0.446 142 I N 3.642 124.209 120.570 -0.006 0.000 2.339 142 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 142 I C -0.477 175.660 176.117 0.034 0.000 0.994 142 I CA -0.718 60.601 61.300 0.031 0.000 1.191 142 I CB 1.172 39.216 38.000 0.073 0.000 1.343 142 I HN 0.420 nan 8.210 nan 0.000 0.458 143 I N 5.720 126.313 120.570 0.038 0.000 2.465 143 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 143 I C -0.661 175.491 176.117 0.058 0.000 1.014 143 I CA -0.507 60.817 61.300 0.040 0.000 1.093 143 I CB 2.199 40.219 38.000 0.034 0.000 1.267 143 I HN 0.530 nan 8.210 nan 0.000 0.431 144 E N 7.609 127.838 120.200 0.047 0.000 2.291 144 E HA 0.383 4.733 4.350 -0.000 0.000 0.276 144 E C -2.291 174.323 176.600 0.025 0.000 0.896 144 E CA -1.520 54.910 56.400 0.049 0.000 0.774 144 E CB 2.348 32.078 29.700 0.050 0.000 1.227 144 E HN 0.115 nan 8.360 nan 0.000 0.413 145 P HA -0.127 nan 4.420 nan 0.000 0.222 145 P C 0.134 177.454 177.300 0.034 0.000 1.142 145 P CA 1.008 64.052 63.100 -0.093 0.000 0.788 145 P CB 0.055 31.604 31.700 -0.251 0.000 0.767 146 T N -1.103 113.494 114.554 0.073 0.000 2.888 146 T HA 0.131 4.481 4.350 -0.000 0.000 0.301 146 T C 1.390 176.143 174.700 0.088 0.000 1.001 146 T CA 0.474 62.633 62.100 0.100 0.000 1.147 146 T CB 0.228 69.132 68.868 0.060 0.000 0.931 146 T HN 0.089 nan 8.240 nan 0.000 0.541 147 S N 3.410 119.174 115.700 0.107 0.000 2.527 147 S HA 0.311 4.781 4.470 -0.000 0.000 0.227 147 S C 1.478 176.111 174.600 0.055 0.000 1.059 147 S CA 0.068 58.316 58.200 0.078 0.000 0.919 147 S CB -0.324 62.928 63.200 0.088 0.000 0.805 147 S HN 0.834 nan 8.310 nan 0.000 0.500 148 G N 2.204 111.044 108.800 0.067 0.000 2.441 148 G HA2 0.147 4.107 3.960 -0.000 0.000 0.258 148 G HA3 0.147 4.107 3.960 -0.000 0.000 0.258 148 G C 0.710 175.627 174.900 0.028 0.000 1.487 148 G CA -0.116 45.013 45.100 0.049 0.000 1.058 148 G HN 0.297 nan 8.290 nan 0.000 0.552 149 N N -0.365 118.353 118.700 0.029 0.000 2.120 149 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 149 N C 2.450 177.971 175.510 0.019 0.000 1.024 149 N CA 1.723 54.788 53.050 0.025 0.000 0.852 149 N CB -0.720 37.791 38.487 0.040 0.000 1.003 149 N HN 0.415 nan 8.380 nan 0.000 0.424 150 T N 0.180 114.739 114.554 0.009 0.000 2.760 150 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 150 T C 1.846 176.554 174.700 0.014 0.000 1.047 150 T CA 1.490 63.589 62.100 -0.001 0.000 1.139 150 T CB -0.686 68.165 68.868 -0.028 0.000 0.855 150 T HN 0.425 nan 8.240 nan 0.000 0.471 151 G N 1.308 110.121 108.800 0.022 0.000 2.421 151 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 151 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 151 G C 1.498 176.413 174.900 0.024 0.000 1.171 151 G CA 0.600 45.716 45.100 0.027 0.000 0.775 151 G HN 0.534 nan 8.290 nan 0.000 0.543 152 I N 1.325 121.906 120.570 0.019 0.000 2.286 152 I HA -0.052 4.118 4.170 -0.000 0.000 0.248 152 I C 2.998 179.128 176.117 0.022 0.000 1.115 152 I CA 0.956 62.267 61.300 0.017 0.000 1.392 152 I CB -0.366 37.641 38.000 0.012 0.000 1.065 152 I HN 0.232 nan 8.210 nan 0.000 0.418 153 G N 0.967 109.780 108.800 0.023 0.000 2.403 153 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 153 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 153 G C 1.720 176.636 174.900 0.027 0.000 1.154 153 G CA 0.261 45.374 45.100 0.023 0.000 0.784 153 G HN 0.248 nan 8.290 nan 0.000 0.538 154 L N 0.499 121.740 121.223 0.031 0.000 2.093 154 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 154 L C 3.286 180.189 176.870 0.054 0.000 1.085 154 L CA 1.081 55.949 54.840 0.046 0.000 0.755 154 L CB -0.240 41.847 42.059 0.047 0.000 0.904 154 L HN 0.316 nan 8.230 nan 0.000 0.435 155 A N -0.576 122.270 122.820 0.042 0.000 1.975 155 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 155 A C 2.191 179.792 177.584 0.029 0.000 1.170 155 A CA 0.542 52.603 52.037 0.039 0.000 0.656 155 A CB -0.416 18.603 19.000 0.032 0.000 0.821 155 A HN 0.313 nan 8.150 nan 0.000 0.449 156 L N -0.381 120.857 121.223 0.024 0.000 2.131 156 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 156 L C 2.311 179.187 176.870 0.010 0.000 1.092 156 L CA 2.320 57.170 54.840 0.016 0.000 0.759 156 L CB -0.929 41.141 42.059 0.018 0.000 0.903 156 L HN 0.379 nan 8.230 nan 0.000 0.435 157 A N -0.705 122.124 122.820 0.015 0.000 1.984 157 A HA 0.177 4.497 4.320 -0.000 0.000 0.214 157 A C 2.411 179.989 177.584 -0.011 0.000 1.173 157 A CA 0.947 52.986 52.037 0.002 0.000 0.673 157 A CB -0.467 18.542 19.000 0.016 0.000 0.830 157 A HN 0.479 nan 8.150 nan 0.000 0.453 158 A N 0.140 122.979 122.820 0.033 0.000 1.933 158 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 158 A C 2.257 179.841 177.584 0.000 0.000 1.175 158 A CA 1.732 53.804 52.037 0.058 0.000 0.628 158 A CB -0.750 18.323 19.000 0.121 0.000 0.814 158 A HN 1.028 nan 8.150 nan 0.000 0.444 159 A N -1.109 121.712 122.820 0.001 0.000 2.235 159 A HA 0.337 4.657 4.320 -0.000 0.000 0.208 159 A C 1.654 179.217 177.584 -0.034 0.000 1.172 159 A CA 1.245 53.277 52.037 -0.008 0.000 0.786 159 A CB -0.195 18.807 19.000 0.003 0.000 0.804 159 A HN 0.349 nan 8.150 nan 0.000 0.479 160 V N -1.337 118.542 119.914 -0.058 0.000 3.307 160 V HA 0.036 4.156 4.120 -0.000 0.000 0.244 160 V C 2.277 178.299 176.094 -0.119 0.000 1.196 160 V CA 0.595 62.853 62.300 -0.071 0.000 1.132 160 V CB -0.281 31.510 31.823 -0.053 0.000 0.875 160 V HN 0.458 nan 8.190 nan 0.000 0.468 161 R N 0.638 121.015 120.500 -0.204 0.000 2.090 161 R HA 0.248 4.588 4.340 -0.000 0.000 0.219 161 R C 1.519 177.592 176.300 -0.378 0.000 1.100 161 R CA 1.165 57.072 56.100 -0.323 0.000 0.991 161 R CB 0.135 30.130 30.300 -0.508 0.000 0.893 161 R HN 0.525 nan 8.270 nan 0.000 0.443 162 G N -0.363 108.206 108.800 -0.384 0.000 2.215 162 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.187 162 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.187 162 G C -0.336 174.548 174.900 -0.026 0.000 1.039 162 G CA -0.709 44.273 45.100 -0.196 0.000 0.771 162 G HN 0.199 nan 8.290 nan 0.000 0.507 163 Y N -0.263 120.050 120.300 0.022 0.000 2.488 163 Y HA 0.689 5.239 4.550 -0.000 0.000 0.325 163 Y C 0.940 176.853 175.900 0.021 0.000 1.204 163 Y CA -1.279 56.837 58.100 0.026 0.000 1.229 163 Y CB 1.155 39.637 38.460 0.036 0.000 1.274 163 Y HN 0.099 nan 8.280 nan 0.000 0.493 164 R N 0.849 121.472 120.500 0.204 0.000 2.368 164 R HA 0.522 4.862 4.340 -0.000 0.000 0.302 164 R C -1.680 174.674 176.300 0.090 0.000 1.002 164 R CA -0.272 55.890 56.100 0.103 0.000 0.929 164 R CB 1.033 31.369 30.300 0.059 0.000 1.073 164 R HN 0.757 nan 8.270 nan 0.000 0.464 165 C N 6.373 125.714 119.300 0.068 0.000 2.441 165 C HA 0.638 5.098 4.460 -0.000 0.000 0.318 165 C C -0.801 174.212 174.990 0.039 0.000 1.222 165 C CA -0.589 58.465 59.018 0.059 0.000 1.474 165 C CB 0.408 28.186 27.740 0.063 0.000 2.125 165 C HN 0.828 nan 8.230 nan 0.000 0.479 166 I N 6.081 126.671 120.570 0.034 0.000 2.499 166 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 166 I C -0.998 175.136 176.117 0.028 0.000 1.048 166 I CA -0.453 60.863 61.300 0.027 0.000 1.062 166 I CB 1.770 39.782 38.000 0.019 0.000 1.238 166 I HN 0.383 nan 8.210 nan 0.000 0.426 167 I N 6.871 127.457 120.570 0.027 0.000 2.382 167 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 167 I C -0.159 175.975 176.117 0.028 0.000 1.002 167 I CA -0.439 60.879 61.300 0.030 0.000 1.135 167 I CB 1.797 39.816 38.000 0.033 0.000 1.288 167 I HN 0.156 nan 8.210 nan 0.000 0.448 168 V N 8.024 127.951 119.914 0.022 0.000 2.322 168 V HA 0.362 4.482 4.120 -0.000 0.000 0.258 168 V C 0.252 176.378 176.094 0.054 0.000 1.074 168 V CA -0.340 61.971 62.300 0.019 0.000 0.909 168 V CB -0.084 31.728 31.823 -0.018 0.000 1.090 168 V HN 0.730 nan 8.190 nan 0.000 0.486 169 M N 5.239 124.879 119.600 0.066 0.000 2.598 169 M HA 0.758 5.238 4.480 -0.000 0.000 0.317 169 M C -2.751 173.595 176.300 0.077 0.000 1.179 169 M CA -2.105 53.251 55.300 0.092 0.000 0.936 169 M CB 1.753 34.393 32.600 0.067 0.000 1.713 169 M HN 0.075 nan 8.290 nan 0.000 0.460 170 P HA -0.074 nan 4.420 nan 0.000 0.288 170 P C -0.081 177.233 177.300 0.023 0.000 1.320 170 P CA 0.271 63.389 63.100 0.030 0.000 0.862 170 P CB 0.273 31.962 31.700 -0.019 0.000 1.369 171 E N -0.475 119.732 120.200 0.011 0.000 2.499 171 E HA 0.042 4.392 4.350 -0.000 0.000 0.199 171 E C 0.499 177.108 176.600 0.015 0.000 1.016 171 E CA 0.119 56.527 56.400 0.013 0.000 0.933 171 E CB 0.236 29.941 29.700 0.009 0.000 1.050 171 E HN 0.263 nan 8.360 nan 0.000 0.462 172 K N -0.309 120.102 120.400 0.017 0.000 2.312 172 K HA 0.186 4.506 4.320 -0.000 0.000 0.206 172 K C 0.912 177.533 176.600 0.035 0.000 1.121 172 K CA -0.318 55.985 56.287 0.027 0.000 0.923 172 K CB -0.461 32.055 32.500 0.027 0.000 1.162 172 K HN -0.036 nan 8.250 nan 0.000 0.478 173 M N 1.710 121.329 119.600 0.033 0.000 1.788 173 M HA -0.191 4.289 4.480 -0.000 0.000 0.331 173 M C 0.257 176.574 176.300 0.028 0.000 0.632 173 M CA 0.193 55.510 55.300 0.028 0.000 0.639 173 M CB -0.386 32.224 32.600 0.016 0.000 1.196 173 M HN 0.409 nan 8.290 nan 0.000 0.400 174 S N 0.322 116.029 115.700 0.012 0.000 2.632 174 S HA 0.460 4.930 4.470 -0.000 0.000 0.271 174 S C 1.121 175.713 174.600 -0.014 0.000 1.260 174 S CA -0.202 58.001 58.200 0.005 0.000 1.010 174 S CB 1.410 64.596 63.200 -0.024 0.000 0.965 174 S HN 0.826 nan 8.310 nan 0.000 0.534 175 S N 1.096 116.790 115.700 -0.010 0.000 2.356 175 S HA -0.189 4.280 4.470 -0.000 0.000 0.223 175 S C 1.473 176.054 174.600 -0.031 0.000 1.032 175 S CA 1.696 59.887 58.200 -0.014 0.000 1.005 175 S CB -0.960 62.235 63.200 -0.007 0.000 0.867 175 S HN 0.805 nan 8.310 nan 0.000 0.449 176 E N 0.917 121.087 120.200 -0.050 0.000 2.396 176 E HA -0.047 4.303 4.350 -0.000 0.000 0.200 176 E C 2.066 178.622 176.600 -0.073 0.000 1.023 176 E CA 0.889 57.248 56.400 -0.067 0.000 0.857 176 E CB 0.031 29.677 29.700 -0.091 0.000 0.775 176 E HN 0.580 nan 8.360 nan 0.000 0.525 177 K N -0.536 119.822 120.400 -0.070 0.000 2.056 177 K HA 0.013 4.333 4.320 -0.000 0.000 0.205 177 K C 2.063 178.643 176.600 -0.033 0.000 1.035 177 K CA 1.037 57.286 56.287 -0.064 0.000 0.955 177 K CB -0.247 32.214 32.500 -0.065 0.000 0.769 177 K HN -0.009 nan 8.250 nan 0.000 0.447 178 V N 2.863 122.765 119.914 -0.020 0.000 2.380 178 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 178 V C 1.629 177.719 176.094 -0.007 0.000 1.063 178 V CA 1.897 64.193 62.300 -0.007 0.000 1.055 178 V CB -0.539 31.283 31.823 -0.001 0.000 0.657 178 V HN 0.301 nan 8.190 nan 0.000 0.455 179 D N -0.217 120.175 120.400 -0.013 0.000 2.350 179 D HA -0.067 4.573 4.640 -0.000 0.000 0.216 179 D C 2.024 178.318 176.300 -0.011 0.000 0.968 179 D CA 0.882 54.875 54.000 -0.011 0.000 0.894 179 D CB 0.255 41.045 40.800 -0.016 0.000 0.909 179 D HN 0.400 nan 8.370 nan 0.000 0.520 180 V N 0.987 120.892 119.914 -0.015 0.000 2.239 180 V HA -0.207 3.913 4.120 -0.000 0.000 0.242 180 V C 2.650 178.743 176.094 -0.002 0.000 1.038 180 V CA 1.078 63.371 62.300 -0.011 0.000 1.002 180 V CB -0.560 31.252 31.823 -0.017 0.000 0.641 180 V HN 0.112 nan 8.190 nan 0.000 0.449 181 L N -0.243 120.980 121.223 0.001 0.000 2.042 181 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 181 L C 2.681 179.556 176.870 0.009 0.000 1.076 181 L CA 1.691 56.536 54.840 0.008 0.000 0.749 181 L CB -0.801 41.265 42.059 0.012 0.000 0.893 181 L HN 0.210 nan 8.230 nan 0.000 0.432 182 R N 0.210 120.714 120.500 0.006 0.000 2.170 182 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 182 R C 2.264 178.568 176.300 0.006 0.000 1.145 182 R CA 1.270 57.374 56.100 0.006 0.000 0.984 182 R CB -0.503 29.800 30.300 0.004 0.000 0.869 182 R HN 0.429 nan 8.270 nan 0.000 0.455 183 A N 0.542 123.364 122.820 0.004 0.000 2.081 183 A HA 0.072 4.392 4.320 -0.000 0.000 0.214 183 A C 1.740 179.327 177.584 0.006 0.000 1.158 183 A CA 0.450 52.489 52.037 0.003 0.000 0.724 183 A CB 0.104 19.105 19.000 0.001 0.000 0.826 183 A HN 0.152 nan 8.150 nan 0.000 0.463 184 L N -1.012 120.216 121.223 0.009 0.000 2.653 184 L HA 0.249 4.589 4.340 -0.000 0.000 0.231 184 L C 1.608 178.487 176.870 0.015 0.000 1.153 184 L CA 0.456 55.303 54.840 0.011 0.000 0.933 184 L CB -0.207 41.861 42.059 0.014 0.000 1.175 184 L HN 0.519 nan 8.230 nan 0.000 0.473 185 G N 0.527 109.336 108.800 0.014 0.000 2.189 185 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.267 185 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.267 185 G C 0.491 175.404 174.900 0.023 0.000 0.975 185 G CA 0.220 45.330 45.100 0.017 0.000 0.644 185 G HN 0.534 nan 8.290 nan 0.000 0.537 186 A N 0.072 122.906 122.820 0.024 0.000 2.409 186 A HA 0.628 4.948 4.320 -0.000 0.000 0.262 186 A C 0.329 177.927 177.584 0.023 0.000 1.113 186 A CA 0.263 52.317 52.037 0.028 0.000 0.790 186 A CB 0.311 19.328 19.000 0.029 0.000 1.046 186 A HN 0.531 nan 8.150 nan 0.000 0.496 187 E N 1.244 121.458 120.200 0.023 0.000 2.231 187 E HA 0.524 4.874 4.350 -0.000 0.000 0.277 187 E C -0.859 175.753 176.600 0.020 0.000 0.999 187 E CA -0.161 56.251 56.400 0.020 0.000 0.827 187 E CB 1.828 31.539 29.700 0.018 0.000 1.101 187 E HN 0.611 nan 8.360 nan 0.000 0.393 188 I N 2.549 123.130 120.570 0.018 0.000 2.412 188 I HA 0.243 4.413 4.170 -0.000 0.000 0.296 188 I C -0.917 175.212 176.117 0.019 0.000 0.987 188 I CA -0.955 60.358 61.300 0.020 0.000 1.180 188 I CB 1.453 39.465 38.000 0.019 0.000 1.340 188 I HN 0.236 nan 8.210 nan 0.000 0.455 189 V N 6.722 126.649 119.914 0.021 0.000 2.483 189 V HA 0.421 4.541 4.120 -0.000 0.000 0.295 189 V C 0.277 176.385 176.094 0.024 0.000 1.035 189 V CA -0.934 61.378 62.300 0.020 0.000 0.896 189 V CB 1.547 33.381 31.823 0.018 0.000 0.986 189 V HN 0.587 nan 8.190 nan 0.000 0.447 190 R N 2.095 122.608 120.500 0.021 0.000 2.370 190 R HA 0.202 4.542 4.340 -0.000 0.000 0.309 190 R C 0.041 176.356 176.300 0.025 0.000 1.059 190 R CA -0.074 56.039 56.100 0.021 0.000 0.981 190 R CB 0.709 31.019 30.300 0.017 0.000 0.972 190 R HN 0.658 nan 8.270 nan 0.000 0.437 191 T N 6.954 121.527 114.554 0.032 0.000 2.775 191 T HA 0.135 4.485 4.350 -0.000 0.000 0.287 191 T C -2.155 172.560 174.700 0.026 0.000 0.909 191 T CA -1.129 60.995 62.100 0.039 0.000 1.081 191 T CB 0.495 69.402 68.868 0.065 0.000 0.891 191 T HN 0.181 nan 8.240 nan 0.000 0.544 192 P HA 0.059 nan 4.420 nan 0.000 0.257 192 P C 0.498 177.807 177.300 0.013 0.000 1.189 192 P CA 0.564 63.673 63.100 0.015 0.000 0.780 192 P CB -0.249 31.460 31.700 0.015 0.000 0.772 202 S N 2.294 118.016 115.700 0.037 0.000 2.541 202 S HA -0.236 4.234 4.470 -0.000 0.000 0.262 202 S C 0.729 175.603 174.600 0.457 0.000 1.321 202 S CA 1.166 59.435 58.200 0.116 0.000 1.243 202 S CB -1.832 61.386 63.200 0.030 0.000 1.531 202 S HN 1.850 nan 8.310 nan 0.000 0.656 203 H N -1.051 117.964 119.070 -0.091 0.000 2.684 203 H HA -0.134 4.422 4.556 -0.000 0.000 0.309 203 H C -0.489 174.770 175.328 -0.115 0.000 1.102 203 H CA 1.878 57.879 56.048 -0.078 0.000 1.147 203 H CB -2.402 27.330 29.762 -0.051 0.000 1.391 203 H HN 1.613 nan 8.280 nan 0.000 0.398 204 V N -3.917 115.566 119.914 -0.717 0.000 2.775 204 V HA 0.599 4.719 4.120 -0.000 0.000 0.295 204 V C 0.667 176.305 176.094 -0.760 0.000 1.226 204 V CA 0.556 62.342 62.300 -0.856 0.000 0.934 204 V CB 1.445 32.759 31.823 -0.848 0.000 1.056 204 V HN 1.331 nan 8.190 nan 0.000 0.436 205 G N 4.108 112.498 108.800 -0.682 0.000 2.729 205 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 205 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 205 G C 0.814 175.682 174.900 -0.052 0.000 1.252 205 G CA 0.782 45.733 45.100 -0.248 0.000 0.751 205 G HN 1.691 nan 8.290 nan 0.000 0.527 206 V N 1.962 121.812 119.914 -0.107 0.000 2.688 206 V HA 0.065 4.185 4.120 -0.000 0.000 0.256 206 V C 3.089 179.169 176.094 -0.023 0.000 1.084 206 V CA 2.986 65.268 62.300 -0.030 0.000 1.103 206 V CB -0.633 31.179 31.823 -0.018 0.000 0.688 206 V HN 1.118 nan 8.190 nan 0.000 0.480 207 A N -1.767 120.999 122.820 -0.090 0.000 2.030 207 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 207 A C 1.822 179.492 177.584 0.144 0.000 1.164 207 A CA 0.524 52.547 52.037 -0.025 0.000 0.697 207 A CB -0.420 18.515 19.000 -0.109 0.000 0.827 207 A HN 0.614 nan 8.150 nan 0.000 0.457 208 W N 0.174 121.464 121.300 -0.016 0.000 2.519 208 W HA 0.139 4.799 4.660 -0.000 0.000 0.266 208 W C 2.225 178.743 176.519 -0.002 0.000 1.253 208 W CA 0.530 57.873 57.345 -0.003 0.000 1.274 208 W CB -0.368 29.097 29.460 0.007 0.000 1.114 208 W HN 0.354 nan 8.180 nan 0.000 0.596 209 R N -0.046 120.577 120.500 0.206 0.000 2.254 209 R HA 0.068 4.408 4.340 -0.000 0.000 0.195 209 R C 1.940 178.285 176.300 0.075 0.000 0.957 209 R CA 0.223 56.396 56.100 0.120 0.000 1.024 209 R CB -0.169 30.187 30.300 0.093 0.000 0.952 209 R HN 0.163 nan 8.270 nan 0.000 0.484 210 L N 0.682 121.947 121.223 0.070 0.000 2.131 210 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 210 L C 2.538 179.426 176.870 0.030 0.000 1.087 210 L CA 1.073 55.937 54.840 0.040 0.000 0.767 210 L CB -0.296 41.782 42.059 0.032 0.000 0.917 210 L HN 0.132 nan 8.230 nan 0.000 0.441 211 K N 0.301 120.730 120.400 0.048 0.000 2.113 211 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 211 K C 1.719 178.318 176.600 -0.002 0.000 1.047 211 K CA 1.621 57.920 56.287 0.019 0.000 0.928 211 K CB 0.016 32.545 32.500 0.048 0.000 0.716 211 K HN 0.398 nan 8.250 nan 0.000 0.446 212 N N 0.985 119.694 118.700 0.016 0.000 2.062 212 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 212 N C 1.691 177.200 175.510 -0.002 0.000 1.042 212 N CA 1.407 54.460 53.050 0.005 0.000 0.845 212 N CB -0.330 38.167 38.487 0.016 0.000 1.024 212 N HN 0.362 nan 8.380 nan 0.000 0.424 213 E N 0.831 121.034 120.200 0.005 0.000 2.031 213 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 213 E C 0.453 177.047 176.600 -0.009 0.000 0.994 213 E CA 0.503 56.904 56.400 0.001 0.000 0.800 213 E CB -0.029 29.676 29.700 0.008 0.000 0.752 213 E HN 0.305 nan 8.360 nan 0.000 0.447 214 I N 3.369 123.931 120.570 -0.013 0.000 2.494 214 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 214 I C -2.251 173.835 176.117 -0.052 0.000 1.106 214 I CA -1.771 59.512 61.300 -0.028 0.000 1.369 214 I CB 0.256 38.239 38.000 -0.028 0.000 1.410 214 I HN -0.148 nan 8.210 nan 0.000 0.523 215 P HA 0.180 nan 4.420 nan 0.000 0.278 215 P C -0.024 177.209 177.300 -0.113 0.000 1.266 215 P CA -0.430 62.629 63.100 -0.069 0.000 0.807 215 P CB 0.479 32.153 31.700 -0.042 0.000 1.094 216 N N -1.751 116.866 118.700 -0.139 0.000 2.693 216 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 216 N C -0.404 174.873 175.510 -0.388 0.000 1.119 216 N CA 1.144 54.078 53.050 -0.195 0.000 0.717 216 N CB -1.098 37.330 38.487 -0.100 0.000 1.071 216 N HN 0.580 nan 8.380 nan 0.000 0.555 217 S N -1.021 114.395 115.700 -0.473 0.000 2.664 217 S HA 0.781 5.251 4.470 -0.000 0.000 0.304 217 S C -0.293 173.820 174.600 -0.811 0.000 1.099 217 S CA -0.650 57.238 58.200 -0.520 0.000 1.003 217 S CB 2.922 65.994 63.200 -0.213 0.000 1.092 217 S HN 0.255 nan 8.310 nan 0.000 0.525 218 H N -0.675 118.375 119.070 -0.034 0.000 3.161 218 H HA 0.631 5.187 4.556 -0.000 0.000 0.285 218 H C -0.842 174.492 175.328 0.009 0.000 1.588 218 H CA -0.718 55.318 56.048 -0.020 0.000 1.218 218 H CB 0.803 30.538 29.762 -0.044 0.000 1.841 218 H HN 0.556 nan 8.280 nan 0.000 0.623 219 I N 0.804 121.480 120.570 0.177 0.000 3.174 219 I HA 0.234 4.404 4.170 -0.000 0.000 0.313 219 I C -0.545 175.634 176.117 0.104 0.000 1.155 219 I CA -0.820 60.557 61.300 0.129 0.000 0.977 219 I CB 2.783 40.874 38.000 0.152 0.000 1.248 219 I HN 0.230 nan 8.210 nan 0.000 0.453 220 L N 2.126 123.400 121.223 0.084 0.000 2.861 220 L HA 0.239 4.579 4.340 -0.000 0.000 0.290 220 L C -0.387 176.514 176.870 0.053 0.000 1.346 220 L CA -0.317 54.555 54.840 0.054 0.000 0.779 220 L CB 0.468 42.549 42.059 0.036 0.000 1.143 220 L HN 0.439 nan 8.230 nan 0.000 0.548 221 D N 1.985 122.441 120.400 0.094 0.000 2.581 221 D HA -0.117 4.523 4.640 -0.000 0.000 0.238 221 D C 1.142 177.478 176.300 0.060 0.000 1.145 221 D CA 0.630 54.705 54.000 0.125 0.000 0.866 221 D CB 1.095 42.023 40.800 0.213 0.000 1.151 221 D HN 0.621 nan 8.370 nan 0.000 0.500 222 Q N 3.291 123.090 119.800 -0.001 0.000 2.373 222 Q HA -0.089 4.251 4.340 -0.000 0.000 0.210 222 Q C 1.020 176.892 176.000 -0.213 0.000 0.913 222 Q CA 0.494 56.206 55.803 -0.152 0.000 0.911 222 Q CB -0.172 28.414 28.738 -0.253 0.000 1.040 222 Q HN 0.523 nan 8.270 nan 0.000 0.521 223 Y N 0.501 120.805 120.300 0.006 0.000 2.420 223 Y HA 0.198 4.748 4.550 -0.000 0.000 0.292 223 Y C 2.318 178.243 175.900 0.042 0.000 1.119 223 Y CA 0.739 58.839 58.100 0.000 0.000 1.229 223 Y CB 0.385 38.845 38.460 0.000 0.000 1.026 223 Y HN 0.047 nan 8.280 nan 0.000 0.554 224 R N -0.156 120.458 120.500 0.190 0.000 2.225 224 R HA 0.068 4.408 4.340 -0.000 0.000 0.194 224 R C 0.153 176.496 176.300 0.071 0.000 0.949 224 R CA 0.037 56.220 56.100 0.137 0.000 1.088 224 R CB 0.032 30.426 30.300 0.157 0.000 1.106 224 R HN 0.123 nan 8.270 nan 0.000 0.566 225 N N 1.056 119.787 118.700 0.051 0.000 2.438 225 N HA -0.010 4.730 4.740 -0.000 0.000 0.267 225 N C 0.718 176.214 175.510 -0.023 0.000 1.222 225 N CA 0.528 53.587 53.050 0.015 0.000 0.930 225 N CB 1.515 40.008 38.487 0.010 0.000 1.083 225 N HN 0.242 nan 8.380 nan 0.000 0.476 226 A N 3.364 126.162 122.820 -0.037 0.000 1.940 226 A HA -0.247 4.073 4.320 -0.000 0.000 0.221 226 A C 2.201 179.708 177.584 -0.128 0.000 1.190 226 A CA 2.235 54.211 52.037 -0.102 0.000 0.647 226 A CB -1.077 17.836 19.000 -0.146 0.000 0.821 226 A HN 0.753 nan 8.150 nan 0.000 0.457 227 S N 0.323 115.964 115.700 -0.098 0.000 2.428 227 S HA -0.278 4.192 4.470 -0.000 0.000 0.240 227 S C 1.964 176.484 174.600 -0.134 0.000 1.036 227 S CA 1.413 59.551 58.200 -0.104 0.000 1.009 227 S CB -0.630 62.529 63.200 -0.070 0.000 0.803 227 S HN 0.805 nan 8.310 nan 0.000 0.486 228 N N 1.720 120.346 118.700 -0.124 0.000 2.106 228 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 228 N C -1.225 174.196 175.510 -0.149 0.000 1.029 228 N CA 1.314 54.273 53.050 -0.152 0.000 0.848 228 N CB -1.109 37.314 38.487 -0.107 0.000 1.007 228 N HN 0.210 nan 8.380 nan 0.000 0.423 229 P HA -0.075 nan 4.420 nan 0.000 0.215 229 P C 1.937 179.200 177.300 -0.062 0.000 1.157 229 P CA 0.933 63.993 63.100 -0.068 0.000 0.868 229 P CB -0.093 31.526 31.700 -0.134 0.000 0.788 230 L N -1.028 120.124 121.223 -0.118 0.000 2.012 230 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 230 L C 2.453 179.306 176.870 -0.027 0.000 1.073 230 L CA 1.875 56.681 54.840 -0.056 0.000 0.748 230 L CB -1.209 40.794 42.059 -0.093 0.000 0.891 230 L HN -0.039 nan 8.230 nan 0.000 0.431 231 A N -0.796 121.940 122.820 -0.140 0.000 1.883 231 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 231 A C 2.030 179.529 177.584 -0.143 0.000 1.186 231 A CA 1.750 53.677 52.037 -0.184 0.000 0.624 231 A CB -0.840 17.977 19.000 -0.306 0.000 0.822 231 A HN 0.473 nan 8.150 nan 0.000 0.444 232 H N -3.040 116.014 119.070 -0.027 0.000 2.524 232 H HA -0.063 4.493 4.556 -0.000 0.000 0.282 232 H C 1.725 177.043 175.328 -0.018 0.000 1.016 232 H CA 1.479 57.506 56.048 -0.035 0.000 1.270 232 H CB -0.306 29.431 29.762 -0.042 0.000 1.394 232 H HN 0.752 nan 8.280 nan 0.000 0.568 233 Y N 1.431 121.703 120.300 -0.046 0.000 2.301 233 Y HA -0.051 4.499 4.550 0.000 0.000 0.295 233 Y C 1.790 177.614 175.900 -0.127 0.000 1.119 233 Y CA 0.881 58.916 58.100 -0.108 0.000 1.162 233 Y CB 0.293 38.646 38.460 -0.178 0.000 1.046 233 Y HN -0.030 nan 8.280 nan 0.000 0.538 234 D N -0.823 119.516 120.400 -0.102 0.000 2.103 234 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 234 D C 1.979 178.186 176.300 -0.154 0.000 0.978 234 D CA 2.224 56.120 54.000 -0.174 0.000 0.829 234 D CB -0.210 40.552 40.800 -0.062 0.000 0.981 234 D HN 0.526 nan 8.370 nan 0.000 0.464 235 T N -2.418 112.079 114.554 -0.094 0.000 3.053 235 T HA 0.021 4.371 4.350 -0.000 0.000 0.236 235 T C 2.115 176.787 174.700 -0.048 0.000 0.996 235 T CA 0.723 62.784 62.100 -0.066 0.000 1.185 235 T CB -0.596 68.245 68.868 -0.044 0.000 0.892 235 T HN -0.144 nan 8.240 nan 0.000 0.432 236 T N 2.740 117.293 114.554 -0.002 0.000 2.652 236 T HA 0.046 4.396 4.350 -0.000 0.000 0.267 236 T C 2.268 176.945 174.700 -0.039 0.000 1.039 236 T CA 1.616 63.726 62.100 0.018 0.000 1.153 236 T CB -0.838 68.107 68.868 0.128 0.000 0.863 236 T HN 0.558 nan 8.240 nan 0.000 0.428 237 A N 0.712 123.497 122.820 -0.059 0.000 2.239 237 A HA -0.001 4.319 4.320 -0.000 0.000 0.209 237 A C 1.888 179.389 177.584 -0.139 0.000 1.171 237 A CA 0.971 52.947 52.037 -0.103 0.000 0.768 237 A CB -0.255 18.672 19.000 -0.123 0.000 0.790 237 A HN 0.289 nan 8.150 nan 0.000 0.478 238 D N -0.320 119.999 120.400 -0.134 0.000 2.338 238 D HA -0.008 4.632 4.640 -0.000 0.000 0.224 238 D C 1.885 178.136 176.300 -0.083 0.000 0.967 238 D CA 0.851 54.773 54.000 -0.129 0.000 0.896 238 D CB -0.017 40.701 40.800 -0.137 0.000 1.028 238 D HN 0.595 nan 8.370 nan 0.000 0.493 239 E N 0.569 120.729 120.200 -0.067 0.000 2.077 239 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 239 E C 2.267 178.837 176.600 -0.049 0.000 0.989 239 E CA 0.598 56.968 56.400 -0.050 0.000 0.800 239 E CB 0.024 29.700 29.700 -0.040 0.000 0.746 239 E HN 0.297 nan 8.360 nan 0.000 0.452 240 I N 1.161 121.698 120.570 -0.056 0.000 2.264 240 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 240 I C 2.318 178.405 176.117 -0.050 0.000 1.111 240 I CA 1.114 62.381 61.300 -0.055 0.000 1.382 240 I CB -0.262 37.700 38.000 -0.063 0.000 1.060 240 I HN 0.137 nan 8.210 nan 0.000 0.418 241 L N -0.127 121.063 121.223 -0.055 0.000 2.179 241 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 241 L C 2.604 179.451 176.870 -0.039 0.000 1.096 241 L CA 0.797 55.608 54.840 -0.048 0.000 0.779 241 L CB -0.423 41.602 42.059 -0.057 0.000 0.922 241 L HN 0.260 nan 8.230 nan 0.000 0.443 242 Q N 0.571 120.346 119.800 -0.041 0.000 1.990 242 Q HA -0.211 4.129 4.340 -0.000 0.000 0.200 242 Q C 2.141 178.125 176.000 -0.027 0.000 0.980 242 Q CA 1.868 57.651 55.803 -0.033 0.000 0.832 242 Q CB -0.179 28.538 28.738 -0.035 0.000 0.897 242 Q HN 0.439 nan 8.270 nan 0.000 0.427 243 Q N -0.836 118.947 119.800 -0.028 0.000 1.993 243 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 243 Q C 1.112 177.099 176.000 -0.022 0.000 0.984 243 Q CA 1.300 57.089 55.803 -0.023 0.000 0.837 243 Q CB -0.332 28.392 28.738 -0.024 0.000 0.902 243 Q HN 0.338 nan 8.270 nan 0.000 0.423 244 C N 3.117 122.402 119.300 -0.026 0.000 3.684 244 C HA 0.026 4.486 4.460 -0.000 0.000 0.584 244 C C 0.101 175.079 174.990 -0.021 0.000 1.130 244 C CA -0.729 58.275 59.018 -0.023 0.000 1.194 244 C CB -2.229 25.495 27.740 -0.027 0.000 1.457 244 C HN 0.435 nan 8.230 nan 0.000 0.647 245 D N 1.312 121.701 120.400 -0.018 0.000 4.617 245 D HA -0.237 4.403 4.640 -0.000 0.000 0.172 245 D C 1.518 177.808 176.300 -0.017 0.000 1.680 245 D CA 2.127 56.117 54.000 -0.016 0.000 0.771 245 D CB -0.607 40.186 40.800 -0.012 0.000 0.812 245 D HN 0.882 nan 8.370 nan 0.000 0.477 246 G N -1.092 107.697 108.800 -0.020 0.000 3.102 246 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.200 246 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.200 246 G C -0.024 174.866 174.900 -0.015 0.000 1.685 246 G CA -0.144 44.945 45.100 -0.018 0.000 1.299 246 G HN 0.260 nan 8.290 nan 0.000 0.576 247 K N 1.818 122.211 120.400 -0.012 0.000 2.402 247 K HA 0.616 4.936 4.320 -0.000 0.000 0.279 247 K C 0.362 176.954 176.600 -0.013 0.000 1.082 247 K CA 0.340 56.621 56.287 -0.010 0.000 1.080 247 K CB 0.406 32.902 32.500 -0.007 0.000 0.899 247 K HN 0.496 nan 8.250 nan 0.000 0.469 248 L N 1.133 122.349 121.223 -0.013 0.000 2.171 248 L HA 0.590 4.930 4.340 -0.000 0.000 0.253 248 L C -0.791 176.071 176.870 -0.013 0.000 1.054 248 L CA -0.714 54.116 54.840 -0.016 0.000 0.927 248 L CB 2.210 44.256 42.059 -0.021 0.000 1.513 248 L HN 0.567 nan 8.230 nan 0.000 0.471 249 D N -0.441 119.949 120.400 -0.016 0.000 2.738 249 D HA 0.261 4.901 4.640 -0.000 0.000 0.308 249 D C -0.844 175.444 176.300 -0.021 0.000 1.311 249 D CA -0.414 53.578 54.000 -0.014 0.000 0.799 249 D CB 1.725 42.517 40.800 -0.013 0.000 1.332 249 D HN 0.511 nan 8.370 nan 0.000 0.441 250 M N 0.395 119.983 119.600 -0.020 0.000 1.871 250 M HA -0.186 4.294 4.480 -0.000 0.000 0.370 250 M C -1.025 175.246 176.300 -0.048 0.000 0.703 250 M CA 1.189 56.469 55.300 -0.033 0.000 0.596 250 M CB 0.018 32.597 32.600 -0.035 0.000 1.433 250 M HN 0.388 nan 8.290 nan 0.000 0.468 251 L N 3.684 124.869 121.223 -0.063 0.000 2.614 251 L HA 0.642 4.982 4.340 -0.000 0.000 0.264 251 L C -1.843 174.963 176.870 -0.107 0.000 0.940 251 L CA -0.745 54.045 54.840 -0.083 0.000 0.903 251 L CB 1.680 43.691 42.059 -0.080 0.000 1.306 251 L HN 0.441 nan 8.230 nan 0.000 0.410 252 V N 4.271 124.111 119.914 -0.124 0.000 2.409 252 V HA 0.930 5.050 4.120 -0.000 0.000 0.291 252 V C -0.004 175.994 176.094 -0.161 0.000 1.020 252 V CA -0.017 62.193 62.300 -0.150 0.000 0.848 252 V CB 1.417 33.139 31.823 -0.167 0.000 0.990 252 V HN 0.846 nan 8.190 nan 0.000 0.430 253 A N 3.698 126.410 122.820 -0.180 0.000 2.498 253 A HA 0.911 5.231 4.320 -0.000 0.000 0.298 253 A C -0.073 177.402 177.584 -0.182 0.000 1.075 253 A CA -0.427 51.505 52.037 -0.176 0.000 0.714 253 A CB 1.982 20.874 19.000 -0.180 0.000 1.299 253 A HN 0.927 nan 8.150 nan 0.000 0.407 254 S N -0.222 115.390 115.700 -0.148 0.000 2.669 254 S HA 0.637 5.107 4.470 -0.000 0.000 0.270 254 S C -0.362 174.187 174.600 -0.085 0.000 1.225 254 S CA -0.511 57.618 58.200 -0.117 0.000 0.991 254 S CB 1.237 64.380 63.200 -0.095 0.000 0.987 254 S HN 1.067 nan 8.310 nan 0.000 0.552 255 V N 2.055 121.960 119.914 -0.014 0.000 2.305 255 V HA 0.511 4.631 4.120 -0.000 0.000 0.275 255 V C 1.067 177.234 176.094 0.122 0.000 1.020 255 V CA -0.210 62.130 62.300 0.068 0.000 0.811 255 V CB 0.254 32.196 31.823 0.199 0.000 1.031 255 V HN 1.136 nan 8.190 nan 0.000 0.439 256 G N 3.241 112.090 108.800 0.081 0.000 2.670 256 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.219 256 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.219 256 G C 1.465 176.440 174.900 0.125 0.000 1.342 256 G CA 1.201 46.366 45.100 0.109 0.000 0.902 256 G HN 0.631 nan 8.290 nan 0.000 0.553 257 T N -2.469 112.082 114.554 -0.004 0.000 3.043 257 T HA 0.341 4.691 4.350 -0.000 0.000 0.263 257 T C 1.926 176.669 174.700 0.071 0.000 1.094 257 T CA 1.208 63.276 62.100 -0.053 0.000 1.127 257 T CB 0.085 68.752 68.868 -0.335 0.000 0.905 257 T HN 1.686 nan 8.240 nan 0.000 0.490 258 G N 0.353 109.189 108.800 0.060 0.000 2.157 258 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.248 258 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.248 258 G C 0.957 175.878 174.900 0.036 0.000 0.979 258 G CA 0.067 45.213 45.100 0.077 0.000 0.650 258 G HN 0.951 nan 8.290 nan 0.000 0.529 259 G N -0.770 108.046 108.800 0.027 0.000 2.712 259 G HA2 0.247 4.207 3.960 -0.000 0.000 0.212 259 G HA3 0.247 4.207 3.960 -0.000 0.000 0.212 259 G C 1.398 176.401 174.900 0.172 0.000 1.142 259 G CA 2.151 47.290 45.100 0.066 0.000 0.789 259 G HN 0.525 nan 8.290 nan 0.000 0.535 260 T N 0.701 115.259 114.554 0.007 0.000 2.755 260 T HA 0.043 4.393 4.350 -0.000 0.000 0.251 260 T C 2.211 176.793 174.700 -0.196 0.000 1.044 260 T CA 0.588 62.499 62.100 -0.314 0.000 1.154 260 T CB -0.116 68.472 68.868 -0.466 0.000 0.866 260 T HN 0.185 nan 8.240 nan 0.000 0.416 261 I N 1.081 121.563 120.570 -0.147 0.000 2.493 261 I HA -0.166 4.004 4.170 -0.000 0.000 0.254 261 I C 2.092 178.162 176.117 -0.078 0.000 1.160 261 I CA 1.115 62.338 61.300 -0.127 0.000 1.445 261 I CB -0.157 37.747 38.000 -0.160 0.000 1.086 261 I HN 0.261 nan 8.210 nan 0.000 0.433 262 T N 0.450 114.972 114.554 -0.054 0.000 2.737 262 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 262 T C 1.708 176.355 174.700 -0.089 0.000 1.038 262 T CA 1.386 63.447 62.100 -0.066 0.000 1.144 262 T CB -0.775 68.058 68.868 -0.058 0.000 0.866 262 T HN 0.586 nan 8.240 nan 0.000 0.434 263 G N 1.377 110.163 108.800 -0.023 0.000 2.414 263 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 263 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 263 G C 1.549 176.541 174.900 0.153 0.000 1.188 263 G CA 0.508 45.646 45.100 0.064 0.000 0.783 263 G HN 0.488 nan 8.290 nan 0.000 0.537 264 I N 1.466 122.070 120.570 0.057 0.000 2.226 264 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 264 I C 3.281 179.412 176.117 0.023 0.000 1.100 264 I CA 0.999 62.305 61.300 0.011 0.000 1.374 264 I CB -0.248 37.721 38.000 -0.052 0.000 1.057 264 I HN 0.248 nan 8.210 nan 0.000 0.413 265 A N 0.878 123.700 122.820 0.004 0.000 1.898 265 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 265 A C 2.424 180.058 177.584 0.084 0.000 1.181 265 A CA 1.257 53.306 52.037 0.020 0.000 0.620 265 A CB -0.481 18.513 19.000 -0.011 0.000 0.819 265 A HN 0.301 nan 8.150 nan 0.000 0.442 266 R N -0.645 119.871 120.500 0.027 0.000 2.092 266 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 266 R C 2.245 178.794 176.300 0.415 0.000 1.119 266 R CA 1.591 57.706 56.100 0.026 0.000 0.970 266 R CB -0.226 29.635 30.300 -0.732 0.000 0.864 266 R HN 0.506 nan 8.270 nan 0.000 0.440 267 K N 0.965 121.626 120.400 0.436 0.000 2.031 267 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 267 K C 1.894 178.573 176.600 0.133 0.000 1.049 267 K CA 0.888 57.326 56.287 0.252 0.000 0.939 267 K CB -0.321 32.007 32.500 -0.288 0.000 0.717 267 K HN -0.071 nan 8.250 nan 0.000 0.438 268 L N 1.710 122.986 121.223 0.088 0.000 1.989 268 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 268 L C 1.952 178.872 176.870 0.083 0.000 1.071 268 L CA 1.871 56.743 54.840 0.054 0.000 0.749 268 L CB -0.552 41.523 42.059 0.025 0.000 0.890 268 L HN 0.179 nan 8.230 nan 0.000 0.431 269 K N -0.582 119.896 120.400 0.129 0.000 2.360 269 K HA -0.162 4.158 4.320 -0.000 0.000 0.201 269 K C 1.759 178.432 176.600 0.122 0.000 1.046 269 K CA 1.055 57.418 56.287 0.127 0.000 0.945 269 K CB 0.038 32.641 32.500 0.173 0.000 0.750 269 K HN 0.565 nan 8.250 nan 0.000 0.464 270 E N 0.257 120.552 120.200 0.158 0.000 2.045 270 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 270 E C 1.521 178.169 176.600 0.080 0.000 0.968 270 E CA 0.478 56.959 56.400 0.134 0.000 0.813 270 E CB 0.169 29.993 29.700 0.207 0.000 0.780 270 E HN 0.013 nan 8.360 nan 0.000 0.455 271 K N 0.084 120.524 120.400 0.066 0.000 2.404 271 K HA 0.131 4.451 4.320 -0.000 0.000 0.194 271 K C -0.067 176.543 176.600 0.016 0.000 1.023 271 K CA 0.048 56.353 56.287 0.029 0.000 1.094 271 K CB 0.377 32.879 32.500 0.003 0.000 0.841 271 K HN 0.037 nan 8.250 nan 0.000 0.523 272 C N 1.419 120.734 119.300 0.024 0.000 3.233 272 C HA 0.294 4.754 4.460 -0.000 0.000 0.299 272 C C -1.848 173.156 174.990 0.023 0.000 1.060 272 C CA -1.497 57.530 59.018 0.015 0.000 1.382 272 C CB 0.713 28.456 27.740 0.006 0.000 1.828 272 C HN 0.132 nan 8.230 nan 0.000 0.530 273 P HA -0.040 nan 4.420 nan 0.000 0.215 273 P C 1.502 178.815 177.300 0.022 0.000 1.157 273 P CA 1.636 64.751 63.100 0.025 0.000 0.868 273 P CB 0.146 31.857 31.700 0.018 0.000 0.788 274 G N -1.647 107.162 108.800 0.015 0.000 2.956 274 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.207 274 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.207 274 G C 0.040 174.946 174.900 0.009 0.000 1.162 274 G CA -0.116 44.991 45.100 0.012 0.000 0.796 274 G HN 0.360 nan 8.290 nan 0.000 0.527 275 C N 2.573 121.879 119.300 0.010 0.000 2.281 275 C HA 0.547 5.007 4.460 -0.000 0.000 0.336 275 C C 0.944 175.936 174.990 0.004 0.000 1.217 275 C CA -1.702 57.318 59.018 0.003 0.000 1.730 275 C CB -0.571 27.167 27.740 -0.003 0.000 2.338 275 C HN 0.343 nan 8.230 nan 0.000 0.521 276 R N 4.103 124.603 120.500 0.000 0.000 2.861 276 R HA 0.287 4.627 4.340 -0.000 0.000 0.268 276 R C -0.130 176.160 176.300 -0.017 0.000 1.027 276 R CA 0.137 56.236 56.100 -0.001 0.000 1.163 276 R CB 0.276 30.578 30.300 0.002 0.000 1.060 276 R HN 0.656 nan 8.270 nan 0.000 0.483 277 I N 3.829 124.382 120.570 -0.029 0.000 2.542 277 I HA 0.174 4.344 4.170 -0.000 0.000 0.278 277 I C 0.015 176.062 176.117 -0.116 0.000 1.069 277 I CA -0.668 60.592 61.300 -0.067 0.000 1.100 277 I CB 0.854 38.819 38.000 -0.059 0.000 1.204 277 I HN 0.271 nan 8.210 nan 0.000 0.470 278 I N 3.633 124.134 120.570 -0.115 0.000 2.886 278 I HA 0.632 4.802 4.170 -0.000 0.000 0.299 278 I C 0.967 176.906 176.117 -0.296 0.000 1.044 278 I CA -0.263 60.957 61.300 -0.134 0.000 1.310 278 I CB 1.318 39.308 38.000 -0.017 0.000 1.441 278 I HN 0.529 nan 8.210 nan 0.000 0.578 279 G N 1.928 110.471 108.800 -0.429 0.000 2.667 279 G HA2 0.591 4.551 3.960 -0.000 0.000 0.298 279 G HA3 0.591 4.551 3.960 -0.000 0.000 0.298 279 G C -1.752 172.922 174.900 -0.377 0.000 1.377 279 G CA -0.334 44.359 45.100 -0.677 0.000 0.964 279 G HN 0.323 nan 8.290 nan 0.000 0.493 280 V N 1.527 121.299 119.914 -0.236 0.000 2.448 280 V HA 0.542 4.662 4.120 -0.000 0.000 0.295 280 V C -1.123 175.012 176.094 0.068 0.000 1.025 280 V CA -0.604 61.670 62.300 -0.042 0.000 0.859 280 V CB 1.765 33.526 31.823 -0.104 0.000 0.988 280 V HN 0.755 nan 8.190 nan 0.000 0.431 281 D N 6.159 126.666 120.400 0.178 0.000 2.629 281 D HA 0.505 5.145 4.640 -0.000 0.000 0.250 281 D C -2.799 173.511 176.300 0.017 0.000 1.126 281 D CA -1.762 52.342 54.000 0.174 0.000 0.852 281 D CB 3.352 44.352 40.800 0.334 0.000 1.335 281 D HN 0.246 nan 8.370 nan 0.000 0.518 282 P HA 0.149 nan 4.420 nan 0.000 0.279 282 P C -0.480 176.755 177.300 -0.109 0.000 1.239 282 P CA -0.335 62.622 63.100 -0.238 0.000 0.789 282 P CB 0.851 32.174 31.700 -0.628 0.000 0.933 283 E N 1.350 121.524 120.200 -0.042 0.000 2.480 283 E HA 0.215 4.565 4.350 -0.000 0.000 0.258 283 E C 0.935 177.601 176.600 0.110 0.000 0.984 283 E CA 0.792 57.211 56.400 0.030 0.000 0.930 283 E CB -0.343 29.374 29.700 0.028 0.000 0.936 283 E HN 0.823 nan 8.360 nan 0.000 0.466 284 G N 2.554 111.420 108.800 0.110 0.000 2.226 284 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.176 284 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.176 284 G C -0.157 174.868 174.900 0.208 0.000 1.042 284 G CA 0.049 45.239 45.100 0.149 0.000 0.732 284 G HN 0.534 nan 8.290 nan 0.000 0.494 285 S N -0.619 115.165 115.700 0.139 0.000 2.653 285 S HA 0.587 5.057 4.470 -0.000 0.000 0.268 285 S C -0.517 174.115 174.600 0.053 0.000 1.153 285 S CA -0.669 57.615 58.200 0.140 0.000 1.036 285 S CB 0.398 63.720 63.200 0.203 0.000 1.103 285 S HN 0.907 nan 8.310 nan 0.000 0.466 286 I N 5.375 125.958 120.570 0.021 0.000 2.294 286 I HA 0.564 4.734 4.170 -0.000 0.000 0.295 286 I C -0.480 175.620 176.117 -0.030 0.000 1.098 286 I CA 0.201 61.486 61.300 -0.025 0.000 1.277 286 I CB 0.249 38.235 38.000 -0.025 0.000 1.434 286 I HN 0.566 nan 8.210 nan 0.000 0.498 287 L N 5.753 126.906 121.223 -0.117 0.000 2.666 287 L HA 0.845 5.185 4.340 -0.000 0.000 0.259 287 L C -0.799 175.708 176.870 -0.605 0.000 0.919 287 L CA -0.620 54.090 54.840 -0.217 0.000 0.927 287 L CB 1.981 44.056 42.059 0.026 0.000 1.423 287 L HN 0.751 nan 8.230 nan 0.000 0.426 288 A N 2.096 124.195 122.820 -1.203 0.000 2.078 288 A HA 0.205 4.525 4.320 -0.000 0.000 0.568 288 A C -0.298 176.705 177.584 -0.968 0.000 0.224 288 A CA -0.494 50.698 52.037 -1.408 0.000 0.259 288 A CB -0.004 18.709 19.000 -0.479 0.000 3.233 288 A HN 0.776 nan 8.150 nan 0.000 0.482 289 E N 0.234 119.804 120.200 -1.051 0.000 2.206 289 E HA 0.099 4.449 4.350 -0.000 0.000 0.195 289 E C -1.681 174.772 176.600 -0.245 0.000 0.935 289 E CA 0.245 56.314 56.400 -0.552 0.000 0.875 289 E CB -0.192 29.227 29.700 -0.468 0.000 0.841 289 E HN 0.557 nan 8.360 nan 0.000 0.477 290 P HA 0.001 nan 4.420 nan 0.000 0.276 290 P C 0.324 177.553 177.300 -0.119 0.000 1.230 290 P CA 0.433 63.471 63.100 -0.104 0.000 0.776 290 P CB 1.005 32.665 31.700 -0.066 0.000 0.888 291 E N 3.049 123.184 120.200 -0.109 0.000 2.233 291 E HA -0.258 4.091 4.350 -0.000 0.000 0.199 291 E C 0.897 177.452 176.600 -0.075 0.000 1.004 291 E CA 1.787 58.126 56.400 -0.101 0.000 0.819 291 E CB -0.320 29.334 29.700 -0.076 0.000 0.738 291 E HN 0.464 nan 8.360 nan 0.000 0.478 292 E N -0.194 119.970 120.200 -0.059 0.000 2.333 292 E HA -0.107 4.243 4.350 -0.000 0.000 0.198 292 E C 1.909 178.485 176.600 -0.040 0.000 1.007 292 E CA 0.713 57.088 56.400 -0.042 0.000 0.845 292 E CB -0.173 29.507 29.700 -0.034 0.000 0.766 292 E HN 0.327 nan 8.360 nan 0.000 0.507 293 L N 0.642 121.833 121.223 -0.054 0.000 2.217 293 L HA -0.086 4.253 4.340 -0.000 0.000 0.211 293 L C 0.308 177.160 176.870 -0.031 0.000 1.107 293 L CA 0.589 55.404 54.840 -0.041 0.000 0.783 293 L CB -0.145 41.883 42.059 -0.052 0.000 0.919 293 L HN 0.100 nan 8.230 nan 0.000 0.442 294 N N 0.975 119.647 118.700 -0.046 0.000 3.303 294 N HA 0.052 4.792 4.740 -0.000 0.000 0.304 294 N C -0.548 174.950 175.510 -0.019 0.000 1.302 294 N CA 0.179 53.210 53.050 -0.032 0.000 1.213 294 N CB 0.212 38.669 38.487 -0.050 0.000 1.481 294 N HN 0.082 nan 8.380 nan 0.000 0.546 295 Q N 0.697 120.491 119.800 -0.010 0.000 2.932 295 Q HA 0.242 4.582 4.340 -0.000 0.000 0.248 295 Q C -0.467 175.535 176.000 0.004 0.000 0.982 295 Q CA -0.216 55.583 55.803 -0.005 0.000 0.730 295 Q CB 0.985 29.718 28.738 -0.009 0.000 1.249 295 Q HN 0.512 nan 8.270 nan 0.000 0.476 296 T N -2.862 111.697 114.554 0.009 0.000 2.812 296 T HA 0.444 4.794 4.350 -0.000 0.000 0.294 296 T C 0.214 174.923 174.700 0.016 0.000 1.159 296 T CA -0.560 61.550 62.100 0.016 0.000 1.008 296 T CB 1.863 70.746 68.868 0.025 0.000 1.289 296 T HN 0.015 nan 8.240 nan 0.000 0.514 297 E N 0.207 120.418 120.200 0.018 0.000 2.437 297 E HA 0.180 4.530 4.350 -0.000 0.000 0.195 297 E C -0.214 176.399 176.600 0.021 0.000 1.029 297 E CA -0.079 56.330 56.400 0.015 0.000 0.948 297 E CB 0.540 30.247 29.700 0.011 0.000 1.082 297 E HN 0.567 nan 8.360 nan 0.000 0.456 298 Q N -0.039 119.780 119.800 0.033 0.000 2.307 298 Q HA 0.108 4.448 4.340 -0.000 0.000 0.259 298 Q C 0.858 176.880 176.000 0.037 0.000 0.998 298 Q CA 0.139 55.971 55.803 0.048 0.000 0.923 298 Q CB 1.034 29.817 28.738 0.075 0.000 1.196 298 Q HN -0.073 nan 8.270 nan 0.000 0.416 299 T N 1.341 115.904 114.554 0.015 0.000 2.735 299 T HA 0.028 4.378 4.350 -0.000 0.000 0.256 299 T C 0.272 174.942 174.700 -0.050 0.000 1.042 299 T CA 1.154 63.243 62.100 -0.018 0.000 1.147 299 T CB 0.286 69.137 68.868 -0.029 0.000 0.865 299 T HN 0.555 nan 8.240 nan 0.000 0.421 300 T N 0.737 115.258 114.554 -0.054 0.000 2.883 300 T HA 0.646 4.996 4.350 -0.000 0.000 0.284 300 T C -1.553 173.131 174.700 -0.027 0.000 1.041 300 T CA -0.788 61.213 62.100 -0.166 0.000 1.007 300 T CB 1.450 70.219 68.868 -0.165 0.000 1.220 300 T HN 0.358 nan 8.240 nan 0.000 0.552 301 Y N -1.590 118.743 120.300 0.054 0.000 2.544 301 Y HA 0.645 5.195 4.550 0.000 0.000 0.342 301 Y C 0.523 176.494 175.900 0.119 0.000 1.062 301 Y CA -1.333 56.805 58.100 0.064 0.000 1.023 301 Y CB 0.844 39.316 38.460 0.019 0.000 1.308 301 Y HN 0.441 nan 8.280 nan 0.000 0.457 302 E N 1.199 121.635 120.200 0.393 0.000 2.230 302 E HA 0.059 4.409 4.350 -0.000 0.000 0.192 302 E C 0.241 177.144 176.600 0.503 0.000 0.987 302 E CA 0.439 57.126 56.400 0.479 0.000 0.841 302 E CB 0.409 30.522 29.700 0.689 0.000 0.783 302 E HN 0.507 nan 8.360 nan 0.000 0.481 303 V N 2.583 122.662 119.914 0.276 0.000 2.963 303 V HA -0.062 4.058 4.120 -0.000 0.000 0.306 303 V C 0.581 176.891 176.094 0.360 0.000 1.077 303 V CA 0.488 62.919 62.300 0.217 0.000 1.124 303 V CB 0.820 32.566 31.823 -0.127 0.000 0.987 303 V HN 0.080 nan 8.190 nan 0.000 0.487 304 E N 1.849 122.286 120.200 0.395 0.000 2.263 304 E HA 0.607 4.957 4.350 -0.000 0.000 0.264 304 E C 0.856 177.616 176.600 0.266 0.000 0.923 304 E CA -0.253 56.356 56.400 0.349 0.000 0.802 304 E CB 1.712 31.606 29.700 0.324 0.000 1.228 304 E HN 0.851 nan 8.360 nan 0.000 0.417 305 G N 0.955 109.887 108.800 0.220 0.000 2.267 305 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 305 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 305 G C 0.348 175.327 174.900 0.133 0.000 0.998 305 G CA 0.744 45.939 45.100 0.159 0.000 0.620 305 G HN 0.604 nan 8.290 nan 0.000 0.529 306 I N -2.195 118.451 120.570 0.127 0.000 2.863 306 I HA 0.792 4.962 4.170 -0.000 0.000 0.311 306 I C 0.715 176.898 176.117 0.109 0.000 1.026 306 I CA -0.648 60.693 61.300 0.068 0.000 1.077 306 I CB 1.975 39.948 38.000 -0.045 0.000 1.262 306 I HN 1.717 nan 8.210 nan 0.000 0.461 307 G N 1.772 110.646 108.800 0.123 0.000 2.977 307 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 307 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 307 G C -1.592 173.574 174.900 0.443 0.000 1.088 307 G CA -0.413 44.812 45.100 0.209 0.000 0.845 307 G HN 0.994 nan 8.290 nan 0.000 0.565 308 Y N 1.920 122.328 120.300 0.180 0.000 2.524 308 Y HA 0.489 5.039 4.550 -0.000 0.000 0.347 308 Y C 1.220 177.135 175.900 0.025 0.000 1.005 308 Y CA -0.655 57.507 58.100 0.103 0.000 1.025 308 Y CB 1.710 40.241 38.460 0.119 0.000 1.275 308 Y HN 0.667 nan 8.280 nan 0.000 0.460 309 D N 1.600 121.586 120.400 -0.689 0.000 2.312 309 D HA -0.125 4.515 4.640 -0.000 0.000 0.211 309 D C 0.857 176.942 176.300 -0.358 0.000 0.964 309 D CA 1.333 54.988 54.000 -0.575 0.000 0.877 309 D CB -0.259 40.031 40.800 -0.850 0.000 0.924 309 D HN 0.547 nan 8.370 nan 0.000 0.515 310 F N -0.280 119.411 119.950 -0.433 0.000 2.789 310 F HA 0.279 4.806 4.527 -0.000 0.000 0.320 310 F C 0.026 175.873 175.800 0.078 0.000 1.079 310 F CA -0.687 57.236 58.000 -0.128 0.000 1.205 310 F CB 1.022 39.970 39.000 -0.088 0.000 1.046 310 F HN -0.276 nan 8.300 nan 0.000 0.586 311 I N -0.659 120.151 120.570 0.400 0.000 6.421 311 I HA -0.140 4.030 4.170 -0.000 0.000 0.126 311 I C -2.985 173.305 176.117 0.288 0.000 1.825 311 I CA -0.816 60.648 61.300 0.272 0.000 2.037 311 I CB -2.090 36.002 38.000 0.154 0.000 3.486 311 I HN -0.163 nan 8.210 nan 0.000 0.169 312 P HA 0.020 nan 4.420 nan 0.000 0.268 312 P C 1.247 178.667 177.300 0.201 0.000 1.208 312 P CA 0.337 63.613 63.100 0.294 0.000 0.777 312 P CB 0.816 32.749 31.700 0.388 0.000 0.875 313 T N -0.357 114.302 114.554 0.175 0.000 3.023 313 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 313 T C 1.322 176.075 174.700 0.089 0.000 1.093 313 T CA 1.477 63.648 62.100 0.118 0.000 1.129 313 T CB -0.657 68.274 68.868 0.104 0.000 0.899 313 T HN 0.182 nan 8.240 nan 0.000 0.491 314 V N -0.284 119.685 119.914 0.092 0.000 3.041 314 V HA 0.373 4.493 4.120 -0.000 0.000 0.260 314 V C 0.998 177.119 176.094 0.045 0.000 1.105 314 V CA 0.030 62.353 62.300 0.038 0.000 1.125 314 V CB -1.064 30.769 31.823 0.017 0.000 0.730 314 V HN 0.415 nan 8.190 nan 0.000 0.479 315 L N 2.661 123.943 121.223 0.099 0.000 2.281 315 L HA 0.564 4.904 4.340 -0.000 0.000 0.285 315 L C -0.478 176.462 176.870 0.116 0.000 1.074 315 L CA 0.129 55.042 54.840 0.122 0.000 0.817 315 L CB 0.682 42.855 42.059 0.190 0.000 1.168 315 L HN 0.295 nan 8.230 nan 0.000 0.434 316 D N 4.459 124.918 120.400 0.099 0.000 2.477 316 D HA 0.214 4.854 4.640 -0.000 0.000 0.239 316 D C 0.678 177.078 176.300 0.167 0.000 1.102 316 D CA -0.345 53.716 54.000 0.102 0.000 0.901 316 D CB 0.641 41.459 40.800 0.030 0.000 1.026 316 D HN 0.539 nan 8.370 nan 0.000 0.515 317 R N 1.800 122.425 120.500 0.207 0.000 2.377 317 R HA -0.040 4.300 4.340 -0.000 0.000 0.207 317 R C 1.003 177.448 176.300 0.241 0.000 1.075 317 R CA 0.647 56.921 56.100 0.290 0.000 1.035 317 R CB -0.325 30.087 30.300 0.187 0.000 0.857 317 R HN 0.369 nan 8.270 nan 0.000 0.475 318 T N 0.837 115.501 114.554 0.183 0.000 2.852 318 T HA -0.047 4.303 4.350 -0.000 0.000 0.256 318 T C 1.878 176.680 174.700 0.170 0.000 1.038 318 T CA 1.219 63.421 62.100 0.171 0.000 1.141 318 T CB -0.121 68.855 68.868 0.181 0.000 0.869 318 T HN 0.243 nan 8.240 nan 0.000 0.439 319 V N 0.170 120.184 119.914 0.166 0.000 3.541 319 V HA 0.219 4.338 4.120 -0.000 0.000 0.272 319 V C 0.561 176.701 176.094 0.077 0.000 1.215 319 V CA -0.071 62.313 62.300 0.140 0.000 1.176 319 V CB -1.279 30.611 31.823 0.112 0.000 0.854 319 V HN 0.149 nan 8.190 nan 0.000 0.496 320 V N 1.828 121.800 119.914 0.096 0.000 2.328 320 V HA 0.395 4.515 4.120 -0.000 0.000 0.278 320 V C 0.370 176.516 176.094 0.086 0.000 1.021 320 V CA -0.236 62.079 62.300 0.025 0.000 0.838 320 V CB 1.222 33.063 31.823 0.029 0.000 0.999 320 V HN 0.346 nan 8.190 nan 0.000 0.447 321 D N 3.236 123.647 120.400 0.018 0.000 2.350 321 D HA 0.147 4.787 4.640 -0.000 0.000 0.213 321 D C 0.568 176.896 176.300 0.048 0.000 1.031 321 D CA 0.642 54.670 54.000 0.047 0.000 0.861 321 D CB 0.565 41.382 40.800 0.028 0.000 0.926 321 D HN 0.541 nan 8.370 nan 0.000 0.520 322 K N -0.737 119.665 120.400 0.004 0.000 2.598 322 K HA 0.327 4.647 4.320 -0.000 0.000 0.271 322 K C -2.108 174.449 176.600 -0.071 0.000 0.947 322 K CA -0.675 55.619 56.287 0.011 0.000 0.854 322 K CB 1.274 33.754 32.500 -0.034 0.000 1.401 322 K HN -0.218 nan 8.250 nan 0.000 0.415 323 W N 2.531 123.732 121.300 -0.164 0.000 2.950 323 W HA 0.626 5.286 4.660 0.000 0.000 0.340 323 W C -1.132 175.222 176.519 -0.275 0.000 1.139 323 W CA -0.369 56.911 57.345 -0.108 0.000 1.188 323 W CB 1.421 30.840 29.460 -0.069 0.000 1.426 323 W HN 0.313 nan 8.180 nan 0.000 0.531 324 F N 2.178 122.226 119.950 0.163 0.000 2.578 324 F HA 0.406 4.933 4.527 0.000 0.000 0.311 324 F C 0.076 175.916 175.800 0.066 0.000 1.094 324 F CA -1.291 56.746 58.000 0.062 0.000 0.923 324 F CB 1.699 40.679 39.000 -0.033 0.000 1.230 324 F HN -0.195 nan 8.300 nan 0.000 0.450 325 K N 2.169 122.701 120.400 0.221 0.000 2.258 325 K HA 0.347 4.667 4.320 -0.000 0.000 0.284 325 K C 0.101 176.732 176.600 0.053 0.000 1.051 325 K CA -0.256 56.099 56.287 0.113 0.000 0.923 325 K CB 1.507 34.048 32.500 0.069 0.000 1.046 325 K HN 0.727 nan 8.250 nan 0.000 0.474 326 S N 2.141 117.829 115.700 -0.020 0.000 2.652 326 S HA 0.402 4.872 4.470 -0.000 0.000 0.267 326 S C -0.029 174.496 174.600 -0.125 0.000 1.201 326 S CA -0.439 57.693 58.200 -0.113 0.000 0.996 326 S CB 0.920 64.013 63.200 -0.179 0.000 1.054 326 S HN 0.668 nan 8.310 nan 0.000 0.561 327 N N -1.043 117.544 118.700 -0.188 0.000 2.446 327 N HA 0.262 5.002 4.740 -0.000 0.000 0.272 327 N C -0.368 174.962 175.510 -0.301 0.000 1.127 327 N CA -0.438 52.508 53.050 -0.174 0.000 0.896 327 N CB 1.621 40.047 38.487 -0.102 0.000 1.658 327 N HN 0.500 nan 8.380 nan 0.000 0.483 328 D N 0.915 121.126 120.400 -0.315 0.000 2.120 328 D HA -0.189 4.451 4.640 -0.000 0.000 0.191 328 D C 1.052 176.831 176.300 -0.868 0.000 0.994 328 D CA 1.624 55.268 54.000 -0.594 0.000 0.838 328 D CB 0.110 40.709 40.800 -0.335 0.000 0.976 328 D HN 0.764 nan 8.370 nan 0.000 0.447 329 E N -0.103 119.743 120.200 -0.591 0.000 2.118 329 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 329 E C 2.005 178.501 176.600 -0.172 0.000 0.992 329 E CA 1.462 57.621 56.400 -0.401 0.000 0.804 329 E CB -0.018 29.741 29.700 0.098 0.000 0.741 329 E HN 0.538 nan 8.360 nan 0.000 0.458 330 E N 0.024 120.137 120.200 -0.146 0.000 2.046 330 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 330 E C 2.099 178.663 176.600 -0.060 0.000 0.982 330 E CA 0.936 57.324 56.400 -0.019 0.000 0.800 330 E CB -0.357 29.316 29.700 -0.045 0.000 0.756 330 E HN 0.198 nan 8.360 nan 0.000 0.449 331 A N 0.743 123.383 122.820 -0.299 0.000 1.986 331 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 331 A C 1.978 179.420 177.584 -0.235 0.000 1.171 331 A CA 1.308 53.135 52.037 -0.351 0.000 0.640 331 A CB -0.954 17.733 19.000 -0.523 0.000 0.811 331 A HN 0.431 nan 8.150 nan 0.000 0.451 332 F N 0.183 119.939 119.950 -0.325 0.000 2.219 332 F HA -0.123 4.404 4.527 -0.000 0.000 0.294 332 F C 2.963 178.607 175.800 -0.261 0.000 1.086 332 F CA 1.037 58.755 58.000 -0.469 0.000 1.330 332 F CB -0.433 38.302 39.000 -0.443 0.000 1.047 332 F HN 0.356 nan 8.300 nan 0.000 0.495 333 T N -1.224 113.398 114.554 0.113 0.000 2.759 333 T HA -0.255 4.095 4.350 -0.000 0.000 0.269 333 T C 1.581 176.294 174.700 0.021 0.000 1.042 333 T CA 1.233 63.383 62.100 0.085 0.000 1.140 333 T CB -0.967 67.967 68.868 0.109 0.000 0.864 333 T HN 0.080 nan 8.240 nan 0.000 0.455 334 F N 2.047 121.955 119.950 -0.069 0.000 2.259 334 F HA 0.314 4.841 4.527 -0.000 0.000 0.298 334 F C 2.837 178.582 175.800 -0.091 0.000 1.088 334 F CA 0.279 58.235 58.000 -0.074 0.000 1.358 334 F CB -0.872 38.057 39.000 -0.117 0.000 1.040 334 F HN 0.245 nan 8.300 nan 0.000 0.505 335 A N 0.583 123.401 122.820 -0.004 0.000 1.851 335 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 335 A C 2.363 179.956 177.584 0.014 0.000 1.195 335 A CA 1.789 53.786 52.037 -0.068 0.000 0.622 335 A CB -0.765 17.984 19.000 -0.418 0.000 0.831 335 A HN 0.286 nan 8.150 nan 0.000 0.444 336 R N -1.379 119.128 120.500 0.012 0.000 2.096 336 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 336 R C 2.379 178.682 176.300 0.005 0.000 1.139 336 R CA 1.855 57.987 56.100 0.054 0.000 0.952 336 R CB -0.548 29.786 30.300 0.058 0.000 0.854 336 R HN 0.664 nan 8.270 nan 0.000 0.436 337 M N 0.847 120.420 119.600 -0.044 0.000 2.089 337 M HA -0.237 4.243 4.480 -0.000 0.000 0.257 337 M C 2.189 178.467 176.300 -0.036 0.000 1.071 337 M CA 1.746 56.996 55.300 -0.084 0.000 1.096 337 M CB -0.127 32.333 32.600 -0.233 0.000 1.330 337 M HN 0.192 nan 8.290 nan 0.000 0.403 338 L N -0.078 121.140 121.223 -0.009 0.000 2.083 338 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 338 L C 2.226 179.104 176.870 0.014 0.000 1.083 338 L CA 1.381 56.233 54.840 0.021 0.000 0.752 338 L CB -0.439 41.648 42.059 0.047 0.000 0.899 338 L HN 0.446 nan 8.230 nan 0.000 0.433 339 I N -0.786 119.790 120.570 0.011 0.000 2.500 339 I HA -0.150 4.019 4.170 -0.000 0.000 0.252 339 I C 2.207 178.322 176.117 -0.003 0.000 1.142 339 I CA 0.948 62.245 61.300 -0.006 0.000 1.451 339 I CB -0.291 37.711 38.000 0.003 0.000 1.093 339 I HN 0.141 nan 8.210 nan 0.000 0.430 340 A N -0.634 122.187 122.820 0.001 0.000 2.308 340 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 340 A C 1.853 179.436 177.584 -0.002 0.000 1.216 340 A CA 0.253 52.289 52.037 -0.001 0.000 0.864 340 A CB 0.083 19.083 19.000 -0.001 0.000 0.902 340 A HN 0.386 nan 8.150 nan 0.000 0.499 341 Q N -1.555 118.246 119.800 0.001 0.000 2.254 341 Q HA 0.118 4.458 4.340 -0.000 0.000 0.259 341 Q C 0.835 176.845 176.000 0.016 0.000 0.815 341 Q CA 0.276 56.082 55.803 0.004 0.000 0.961 341 Q CB 0.785 29.523 28.738 -0.001 0.000 1.140 341 Q HN 0.481 nan 8.270 nan 0.000 0.502 342 E N -1.305 118.907 120.200 0.022 0.000 2.541 342 E HA 0.191 4.541 4.350 -0.000 0.000 0.219 342 E C 0.606 177.231 176.600 0.041 0.000 0.922 342 E CA 0.645 57.066 56.400 0.037 0.000 1.095 342 E CB 1.442 31.170 29.700 0.048 0.000 1.112 342 E HN 0.327 nan 8.360 nan 0.000 0.516 343 G N 2.362 111.176 108.800 0.024 0.000 2.168 343 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 343 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 343 G C 0.185 175.088 174.900 0.004 0.000 0.997 343 G CA 0.451 45.560 45.100 0.015 0.000 0.708 343 G HN 0.188 nan 8.290 nan 0.000 0.520 344 L N 0.240 121.464 121.223 0.002 0.000 2.283 344 L HA 0.392 4.732 4.340 -0.000 0.000 0.287 344 L C 1.781 178.485 176.870 -0.276 0.000 1.073 344 L CA -0.674 54.136 54.840 -0.051 0.000 0.822 344 L CB 0.982 43.128 42.059 0.144 0.000 1.186 344 L HN 0.056 nan 8.230 nan 0.000 0.436 345 L N 2.811 123.702 121.223 -0.552 0.000 2.650 345 L HA -0.020 4.320 4.340 -0.000 0.000 0.235 345 L C 1.470 178.061 176.870 -0.466 0.000 1.149 345 L CA -0.399 54.182 54.840 -0.430 0.000 0.887 345 L CB -0.512 41.348 42.059 -0.332 0.000 1.021 345 L HN 0.880 nan 8.230 nan 0.000 0.441 346 C N -0.565 118.337 119.300 -0.663 0.000 2.757 346 C HA 0.140 4.599 4.460 -0.000 0.000 0.301 346 C C 1.171 176.154 174.990 -0.012 0.000 1.227 346 C CA -0.358 58.541 59.018 -0.197 0.000 1.206 346 C CB -1.466 26.379 27.740 0.175 0.000 1.749 346 C HN 0.496 nan 8.230 nan 0.000 0.479 347 G N -2.078 106.763 108.800 0.068 0.000 2.827 347 G HA2 0.607 4.567 3.960 -0.000 0.000 0.296 347 G HA3 0.607 4.567 3.960 -0.000 0.000 0.296 347 G C 0.638 175.477 174.900 -0.102 0.000 1.362 347 G CA 0.047 45.145 45.100 -0.002 0.000 0.809 347 G HN 1.423 nan 8.290 nan 0.000 0.522 348 G N 0.540 109.167 108.800 -0.288 0.000 2.681 348 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 348 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 348 G C 2.302 177.129 174.900 -0.120 0.000 1.210 348 G CA 3.315 48.322 45.100 -0.156 0.000 0.783 348 G HN 1.622 nan 8.290 nan 0.000 0.609 349 S N 1.605 117.282 115.700 -0.039 0.000 2.378 349 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 349 S C 2.619 177.171 174.600 -0.079 0.000 1.052 349 S CA 2.461 60.635 58.200 -0.043 0.000 1.084 349 S CB -0.990 62.222 63.200 0.019 0.000 0.950 349 S HN 1.121 nan 8.310 nan 0.000 0.440 350 A N 2.062 124.857 122.820 -0.041 0.000 2.024 350 A HA 0.154 4.474 4.320 -0.000 0.000 0.220 350 A C 2.338 179.877 177.584 -0.076 0.000 1.164 350 A CA 1.806 53.822 52.037 -0.034 0.000 0.643 350 A CB -1.812 17.214 19.000 0.043 0.000 0.806 350 A HN 0.725 nan 8.150 nan 0.000 0.451 351 G N -0.630 108.105 108.800 -0.109 0.000 2.524 351 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 351 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 351 G C 1.818 176.558 174.900 -0.267 0.000 1.239 351 G CA 1.224 46.245 45.100 -0.132 0.000 0.798 351 G HN 0.475 nan 8.290 nan 0.000 0.557 352 S N 0.357 115.887 115.700 -0.284 0.000 2.372 352 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 352 S C 2.511 176.913 174.600 -0.330 0.000 1.044 352 S CA 2.008 60.015 58.200 -0.321 0.000 1.050 352 S CB -0.767 62.280 63.200 -0.256 0.000 0.901 352 S HN 0.499 nan 8.310 nan 0.000 0.447 353 T N 1.755 116.158 114.554 -0.252 0.000 2.699 353 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 353 T C 1.858 176.385 174.700 -0.289 0.000 1.036 353 T CA 1.518 63.477 62.100 -0.235 0.000 1.147 353 T CB -0.404 68.363 68.868 -0.168 0.000 0.862 353 T HN 0.241 nan 8.240 nan 0.000 0.446 354 V N 1.155 120.893 119.914 -0.294 0.000 2.788 354 V HA 0.042 4.162 4.120 -0.000 0.000 0.251 354 V C 2.758 178.486 176.094 -0.610 0.000 1.068 354 V CA 1.145 63.267 62.300 -0.297 0.000 1.090 354 V CB -0.954 30.831 31.823 -0.063 0.000 0.710 354 V HN 0.503 nan 8.190 nan 0.000 0.467 355 A N -0.116 122.073 122.820 -1.052 0.000 1.930 355 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 355 A C 2.313 179.424 177.584 -0.787 0.000 1.175 355 A CA 1.779 52.914 52.037 -1.504 0.000 0.627 355 A CB -0.453 17.700 19.000 -1.411 0.000 0.815 355 A HN 0.337 nan 8.150 nan 0.000 0.443 356 V N -0.479 119.056 119.914 -0.631 0.000 2.719 356 V HA -0.117 4.003 4.120 -0.000 0.000 0.252 356 V C 2.896 178.595 176.094 -0.657 0.000 1.065 356 V CA 1.528 63.422 62.300 -0.676 0.000 1.086 356 V CB -0.726 30.788 31.823 -0.515 0.000 0.700 356 V HN 0.594 nan 8.190 nan 0.000 0.467 357 A N 0.664 123.202 122.820 -0.470 0.000 1.929 357 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 357 A C 2.304 179.702 177.584 -0.310 0.000 1.176 357 A CA 1.704 53.536 52.037 -0.341 0.000 0.628 357 A CB -0.563 18.285 19.000 -0.254 0.000 0.816 357 A HN 0.560 nan 8.150 nan 0.000 0.444 358 V N -2.099 117.593 119.914 -0.370 0.000 2.759 358 V HA -0.114 4.006 4.120 -0.000 0.000 0.256 358 V C 1.992 177.958 176.094 -0.213 0.000 1.080 358 V CA 2.382 64.482 62.300 -0.333 0.000 1.101 358 V CB -0.698 30.725 31.823 -0.668 0.000 0.698 358 V HN 0.463 nan 8.190 nan 0.000 0.477 359 K N 0.552 120.771 120.400 -0.302 0.000 2.056 359 K HA 0.344 4.664 4.320 -0.000 0.000 0.205 359 K C 2.407 178.863 176.600 -0.239 0.000 1.035 359 K CA 1.174 57.305 56.287 -0.260 0.000 0.955 359 K CB -0.547 31.709 32.500 -0.407 0.000 0.769 359 K HN 0.402 nan 8.250 nan 0.000 0.447 360 A N 1.310 123.851 122.820 -0.466 0.000 1.859 360 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 360 A C 2.280 179.840 177.584 -0.039 0.000 1.209 360 A CA 2.429 54.363 52.037 -0.172 0.000 0.639 360 A CB -1.336 17.543 19.000 -0.202 0.000 0.835 360 A HN 0.449 nan 8.150 nan 0.000 0.450 361 A N -1.644 121.121 122.820 -0.093 0.000 2.225 361 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 361 A C 1.795 179.365 177.584 -0.023 0.000 1.164 361 A CA 1.335 53.342 52.037 -0.050 0.000 0.710 361 A CB -0.491 18.466 19.000 -0.072 0.000 0.780 361 A HN 0.521 nan 8.150 nan 0.000 0.473 362 Q N 0.022 119.812 119.800 -0.017 0.000 2.522 362 Q HA -0.219 4.121 4.340 -0.000 0.000 0.216 362 Q C 1.629 177.644 176.000 0.024 0.000 0.986 362 Q CA 1.804 57.614 55.803 0.013 0.000 0.901 362 Q CB -0.114 28.640 28.738 0.028 0.000 0.954 362 Q HN 1.035 nan 8.270 nan 0.000 0.502 363 E N -1.446 118.768 120.200 0.023 0.000 2.251 363 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 363 E C 0.061 176.672 176.600 0.017 0.000 0.964 363 E CA -0.203 56.212 56.400 0.025 0.000 0.868 363 E CB -0.159 29.561 29.700 0.033 0.000 0.828 363 E HN -0.009 nan 8.360 nan 0.000 0.481 364 L N 2.349 123.578 121.223 0.011 0.000 2.499 364 L HA 0.085 4.425 4.340 -0.000 0.000 0.281 364 L C 0.278 177.153 176.870 0.007 0.000 1.234 364 L CA 0.909 55.753 54.840 0.006 0.000 0.839 364 L CB 0.074 42.131 42.059 -0.003 0.000 1.104 364 L HN 0.187 nan 8.230 nan 0.000 0.500 365 Q N 0.327 120.131 119.800 0.006 0.000 2.333 365 Q HA 0.454 4.794 4.340 -0.000 0.000 0.266 365 Q C -0.814 175.189 176.000 0.006 0.000 1.053 365 Q CA -1.010 54.797 55.803 0.008 0.000 0.890 365 Q CB 1.023 29.766 28.738 0.008 0.000 1.337 365 Q HN 0.457 nan 8.270 nan 0.000 0.474 366 E N 0.202 120.406 120.200 0.007 0.000 2.558 366 E HA 0.166 4.516 4.350 -0.000 0.000 0.255 366 E C 0.584 177.186 176.600 0.004 0.000 0.968 366 E CA 1.043 57.446 56.400 0.006 0.000 0.939 366 E CB -0.100 29.605 29.700 0.007 0.000 0.921 366 E HN 0.833 nan 8.360 nan 0.000 0.477 367 G N 2.518 111.320 108.800 0.002 0.000 2.213 367 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.236 367 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.236 367 G C 0.081 174.980 174.900 -0.001 0.000 0.991 367 G CA -0.066 45.034 45.100 0.001 0.000 0.629 367 G HN 0.488 nan 8.290 nan 0.000 0.517 368 Q N -0.051 119.748 119.800 -0.002 0.000 2.297 368 Q HA 0.753 5.093 4.340 -0.000 0.000 0.268 368 Q C 0.193 176.188 176.000 -0.009 0.000 1.045 368 Q CA -0.913 54.887 55.803 -0.005 0.000 0.861 368 Q CB 1.620 30.355 28.738 -0.004 0.000 1.344 368 Q HN 0.430 nan 8.270 nan 0.000 0.452 369 R N -0.046 120.447 120.500 -0.013 0.000 2.856 369 R HA 0.712 5.052 4.340 -0.000 0.000 0.258 369 R C -1.072 175.212 176.300 -0.026 0.000 1.066 369 R CA -0.795 55.295 56.100 -0.018 0.000 1.045 369 R CB 1.635 31.924 30.300 -0.019 0.000 1.178 369 R HN 0.575 nan 8.270 nan 0.000 0.499 370 C N 1.626 120.905 119.300 -0.034 0.000 2.679 370 C HA 0.316 4.776 4.460 -0.000 0.000 0.354 370 C C -0.304 174.652 174.990 -0.056 0.000 1.067 370 C CA -0.462 58.528 59.018 -0.046 0.000 1.317 370 C CB 0.425 28.134 27.740 -0.052 0.000 1.843 370 C HN 0.589 nan 8.230 nan 0.000 0.459 371 V N 5.768 125.646 119.914 -0.060 0.000 2.715 371 V HA 0.340 4.460 4.120 -0.000 0.000 0.299 371 V C 0.220 176.262 176.094 -0.087 0.000 1.054 371 V CA 0.291 62.549 62.300 -0.070 0.000 1.077 371 V CB 1.642 33.422 31.823 -0.072 0.000 0.972 371 V HN 0.659 nan 8.190 nan 0.000 0.484 372 V N 6.841 126.700 119.914 -0.091 0.000 2.439 372 V HA 0.375 4.494 4.120 -0.000 0.000 0.277 372 V C -0.052 175.975 176.094 -0.112 0.000 1.008 372 V CA -0.373 61.863 62.300 -0.106 0.000 0.846 372 V CB 1.443 33.206 31.823 -0.100 0.000 1.031 372 V HN 0.677 nan 8.190 nan 0.000 0.441 373 I N 5.543 126.036 120.570 -0.128 0.000 2.692 373 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 373 I C -0.194 175.846 176.117 -0.128 0.000 1.159 373 I CA 0.297 61.512 61.300 -0.142 0.000 1.423 373 I CB 0.486 38.391 38.000 -0.157 0.000 1.380 373 I HN 0.323 nan 8.210 nan 0.000 0.580 374 L N 7.905 129.042 121.223 -0.143 0.000 2.353 374 L HA 0.297 4.637 4.340 -0.000 0.000 0.270 374 L C -1.896 174.928 176.870 -0.075 0.000 1.003 374 L CA -1.622 53.167 54.840 -0.084 0.000 0.862 374 L CB 1.263 43.295 42.059 -0.045 0.000 1.221 374 L HN 0.310 nan 8.230 nan 0.000 0.430 375 P HA -0.195 nan 4.420 nan 0.000 0.211 375 P C -0.169 177.168 177.300 0.061 0.000 1.181 375 P CA 1.555 64.658 63.100 0.004 0.000 0.929 375 P CB 0.170 31.881 31.700 0.018 0.000 0.789 376 D N -2.958 117.528 120.400 0.144 0.000 2.727 376 D HA 0.376 5.016 4.640 -0.000 0.000 0.264 376 D C -0.339 176.122 176.300 0.268 0.000 1.101 376 D CA -0.691 53.428 54.000 0.199 0.000 1.122 376 D CB 0.540 41.465 40.800 0.209 0.000 1.390 376 D HN 0.101 nan 8.370 nan 0.000 0.606 377 S N -1.274 114.554 115.700 0.212 0.000 2.776 377 S HA 0.456 4.926 4.470 -0.000 0.000 0.306 377 S C 1.512 176.154 174.600 0.070 0.000 1.114 377 S CA -0.063 58.162 58.200 0.041 0.000 0.973 377 S CB 0.631 63.769 63.200 -0.104 0.000 1.250 377 S HN 0.825 nan 8.310 nan 0.000 0.549 378 V N -0.517 119.346 119.914 -0.085 0.000 2.343 378 V HA -0.095 4.025 4.120 -0.000 0.000 0.247 378 V C 2.685 178.753 176.094 -0.044 0.000 1.051 378 V CA 1.906 64.143 62.300 -0.105 0.000 1.036 378 V CB -1.474 30.213 31.823 -0.226 0.000 0.654 378 V HN 0.962 nan 8.190 nan 0.000 0.451 379 R N 1.013 121.480 120.500 -0.055 0.000 2.196 379 R HA -0.326 4.014 4.340 -0.000 0.000 0.259 379 R C 2.167 178.418 176.300 -0.082 0.000 1.154 379 R CA 2.603 58.667 56.100 -0.061 0.000 0.976 379 R CB -0.993 29.287 30.300 -0.033 0.000 0.888 379 R HN 0.664 nan 8.270 nan 0.000 0.453 380 N N -0.074 118.582 118.700 -0.073 0.000 2.188 380 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 380 N C 0.616 175.886 175.510 -0.400 0.000 1.018 380 N CA 1.156 54.040 53.050 -0.276 0.000 0.858 380 N CB -0.166 38.037 38.487 -0.473 0.000 0.989 380 N HN 0.324 nan 8.380 nan 0.000 0.426 381 Y N -0.370 119.783 120.300 -0.245 0.000 2.583 381 Y HA 0.209 4.759 4.550 -0.000 0.000 0.294 381 Y C 1.493 177.092 175.900 -0.501 0.000 1.170 381 Y CA -0.443 57.415 58.100 -0.404 0.000 1.265 381 Y CB -0.144 37.974 38.460 -0.569 0.000 1.119 381 Y HN -0.138 nan 8.280 nan 0.000 0.522 382 M N 0.468 119.925 119.600 -0.237 0.000 2.308 382 M HA -0.254 4.226 4.480 -0.000 0.000 0.257 382 M C 2.100 178.256 176.300 -0.240 0.000 1.070 382 M CA 2.519 57.683 55.300 -0.227 0.000 1.080 382 M CB -1.272 31.238 32.600 -0.150 0.000 1.274 382 M HN 0.395 nan 8.290 nan 0.000 0.434 383 T N -2.772 111.658 114.554 -0.206 0.000 3.278 383 T HA 0.173 4.523 4.350 -0.000 0.000 0.251 383 T C 0.455 174.961 174.700 -0.323 0.000 1.039 383 T CA -0.125 61.872 62.100 -0.172 0.000 0.935 383 T CB -0.178 68.648 68.868 -0.069 0.000 1.034 383 T HN 0.114 nan 8.240 nan 0.000 0.575 384 K N 1.204 121.256 120.400 -0.579 0.000 3.163 384 K HA 0.308 4.628 4.320 -0.000 0.000 0.186 384 K C -0.348 175.370 176.600 -1.470 0.000 1.111 384 K CA -0.455 55.075 56.287 -1.262 0.000 0.918 384 K CB 0.419 32.464 32.500 -0.758 0.000 1.059 384 K HN 0.396 nan 8.250 nan 0.000 0.558 385 F N -1.928 117.386 119.950 -1.060 0.000 1.815 385 F HA -0.206 4.321 4.527 -0.000 0.000 0.559 385 F C -0.204 175.332 175.800 -0.440 0.000 0.492 385 F CA -0.048 57.406 58.000 -0.909 0.000 2.118 385 F CB -1.029 37.164 39.000 -1.344 0.000 2.956 385 F HN 0.046 nan 8.300 nan 0.000 0.239 386 L N 2.096 122.973 121.223 -0.576 0.000 2.395 386 L HA 0.333 4.673 4.340 -0.000 0.000 0.218 386 L C 0.883 177.652 176.870 -0.168 0.000 1.130 386 L CA 1.976 56.549 54.840 -0.446 0.000 0.826 386 L CB -0.619 41.066 42.059 -0.624 0.000 0.941 386 L HN 0.479 nan 8.230 nan 0.000 0.451 387 S N -0.804 114.816 115.700 -0.134 0.000 2.565 387 S HA 0.181 4.651 4.470 -0.000 0.000 0.290 387 S C 0.658 175.334 174.600 0.127 0.000 1.150 387 S CA -0.622 57.578 58.200 0.001 0.000 1.058 387 S CB 1.408 64.619 63.200 0.018 0.000 1.032 387 S HN 0.186 nan 8.310 nan 0.000 0.510 388 D N 2.809 123.276 120.400 0.112 0.000 2.183 388 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 388 D C 1.989 178.380 176.300 0.151 0.000 0.962 388 D CA 0.952 55.031 54.000 0.133 0.000 0.849 388 D CB 0.013 40.864 40.800 0.084 0.000 0.978 388 D HN 0.538 nan 8.370 nan 0.000 0.488 389 R N -0.401 120.180 120.500 0.135 0.000 2.083 389 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 389 R C 2.044 178.441 176.300 0.163 0.000 1.137 389 R CA 1.394 57.564 56.100 0.117 0.000 0.951 389 R CB -0.557 29.802 30.300 0.099 0.000 0.851 389 R HN 0.280 nan 8.270 nan 0.000 0.434 390 W N 1.028 122.341 121.300 0.022 0.000 2.329 390 W HA -0.261 4.399 4.660 -0.000 0.000 0.324 390 W C 1.902 178.448 176.519 0.046 0.000 1.222 390 W CA 1.495 58.862 57.345 0.036 0.000 1.270 390 W CB -0.160 29.329 29.460 0.048 0.000 1.167 390 W HN -0.067 nan 8.180 nan 0.000 0.467 391 M N 0.479 120.459 119.600 0.632 0.000 2.308 391 M HA -0.341 4.139 4.480 -0.000 0.000 0.257 391 M C 2.185 178.483 176.300 -0.004 0.000 1.070 391 M CA 2.152 57.722 55.300 0.449 0.000 1.080 391 M CB -1.963 30.891 32.600 0.423 0.000 1.274 391 M HN 0.253 nan 8.290 nan 0.000 0.434 392 L N -0.137 121.100 121.223 0.024 0.000 1.976 392 L HA -0.245 4.095 4.340 -0.000 0.000 0.223 392 L C 1.846 178.608 176.870 -0.180 0.000 1.081 392 L CA 1.675 56.477 54.840 -0.064 0.000 0.784 392 L CB -1.017 41.033 42.059 -0.014 0.000 0.896 392 L HN 0.520 nan 8.230 nan 0.000 0.438 393 Q N 0.533 120.219 119.800 -0.190 0.000 2.962 393 Q HA 0.041 4.381 4.340 -0.000 0.000 0.251 393 Q C -0.275 175.441 176.000 -0.473 0.000 1.380 393 Q CA 0.178 55.824 55.803 -0.261 0.000 0.926 393 Q CB 0.382 29.003 28.738 -0.196 0.000 1.704 393 Q HN 0.399 nan 8.270 nan 0.000 0.563 394 K N 0.534 120.635 120.400 -0.499 0.000 2.977 394 K HA 0.129 4.449 4.320 -0.000 0.000 0.272 394 K C 0.430 176.580 176.600 -0.751 0.000 2.836 394 K CA 0.434 56.275 56.287 -0.743 0.000 1.566 394 K CB -0.285 31.531 32.500 -1.140 0.000 3.066 394 K HN 0.504 nan 8.250 nan 0.000 0.372 395 G N 2.001 110.332 108.800 -0.781 0.000 2.244 395 G HA2 0.044 4.004 3.960 -0.000 0.000 0.163 395 G HA3 0.044 4.004 3.960 -0.000 0.000 0.163 395 G C -0.519 174.197 174.900 -0.306 0.000 1.064 395 G CA -0.510 44.317 45.100 -0.454 0.000 0.757 395 G HN 0.045 nan 8.290 nan 0.000 0.484 396 F N -0.412 119.604 119.950 0.110 0.000 2.492 396 F HA 0.849 5.376 4.527 -0.000 0.000 0.327 396 F C 1.151 177.033 175.800 0.136 0.000 1.079 396 F CA -0.967 57.132 58.000 0.165 0.000 0.967 396 F CB 1.887 41.070 39.000 0.304 0.000 1.169 396 F HN 0.038 nan 8.300 nan 0.000 0.472 397 L N 0.408 121.804 121.223 0.289 0.000 1.584 397 L HA -0.115 4.225 4.340 -0.000 0.000 0.502 397 L C -0.899 176.041 176.870 0.116 0.000 0.751 397 L CA 0.359 55.311 54.840 0.187 0.000 2.758 397 L CB -0.290 41.870 42.059 0.167 0.000 0.988 397 L HN 0.815 nan 8.230 nan 0.000 0.642 398 K N 1.339 121.795 120.400 0.093 0.000 1.398 398 K HA 0.087 4.407 4.320 -0.000 0.000 0.853 398 K C -0.283 176.343 176.600 0.043 0.000 1.309 398 K CA 0.517 56.841 56.287 0.062 0.000 0.824 398 K CB 0.016 32.549 32.500 0.056 0.000 2.832 398 K HN 0.301 nan 8.250 nan 0.000 0.254 399 E N 0.000 120.223 120.200 0.038 0.000 2.725 399 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 399 E CA 0.000 56.416 56.400 0.027 0.000 0.976 399 E CB 0.000 29.712 29.700 0.020 0.000 0.812 399 E HN 0.000 nan 8.360 nan 0.000 0.440