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 2bld_1_B DATA FIRST_RESID 52 DATA SEQUENCE RNSIRYSELA PLFDTTRVYL VDNKSTDVAS LNYQNDHSNF LTTVIQNNDY DATA SEQUENCE SPGEASTQTI NLDDRSHWGG DLKTILHTNM PNVNEFMFTN KFKARVMVSR DATA SEQUENCE SLTKDKQVEL KYEWVEFTLP EGNYSETMTI DLMNNAIVEH YLKVGRQNGV DATA SEQUENCE LESDIGVKFD TRNFRLGFDP VTGLVMPGVY TNEAFHPDII LLPGCGVDFT DATA SEQUENCE HSRLSNLLGI RKRQPFQEGF RITYDDLEGG NIPALLDVDA YQASLXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXKKPVIKP LTEDSKKRSY NLISNDSTFT DATA SEQUENCE QYRSWYLAYN YGDPQTGIRS WTLLCTPDVT CGSEQVYWSL PDMMQDPVTF DATA SEQUENCE RSTSQISNFP VVGAELLPVH SKSFYNDQAV YSQLIRQFTS LTHVFNRFPE DATA SEQUENCE NQILARPPAP TITTVSENVP ALTDHGTLPL RNSIGGVQRV TITDARRRTC DATA SEQUENCE PYVYKALGIV SPRVLSSR 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 52 R HA 0.000 nan 4.340 nan 0.000 0.208 52 R C 0.000 176.246 176.300 -0.090 0.000 0.893 52 R CA 0.000 56.036 56.100 -0.107 0.000 0.921 52 R CB 0.000 30.217 30.300 -0.138 0.000 0.687 53 N N 1.005 119.663 118.700 -0.071 0.000 2.550 53 N HA 0.023 4.763 4.740 -0.000 0.000 0.277 53 N C -0.816 174.852 175.510 0.263 0.000 1.595 53 N CA 0.125 53.206 53.050 0.053 0.000 0.888 53 N CB 0.696 39.132 38.487 -0.085 0.000 1.424 53 N HN 0.200 nan 8.380 nan 0.000 0.501 54 S N 0.620 116.457 115.700 0.227 0.000 2.625 54 S HA 0.652 5.122 4.470 -0.000 0.000 0.258 54 S C 0.376 175.171 174.600 0.324 0.000 1.256 54 S CA -0.317 58.085 58.200 0.337 0.000 0.983 54 S CB 0.865 64.216 63.200 0.250 0.000 1.032 54 S HN 0.309 nan 8.310 nan 0.000 0.572 55 I N 0.589 121.292 120.570 0.222 0.000 2.606 55 I HA 0.273 4.443 4.170 -0.000 0.000 0.275 55 I C -0.697 175.446 176.117 0.044 0.000 1.220 55 I CA -0.263 61.039 61.300 0.004 0.000 1.098 55 I CB 1.429 39.400 38.000 -0.049 0.000 1.321 55 I HN 0.540 nan 8.210 nan 0.000 0.468 56 R N 3.837 124.357 120.500 0.033 0.000 2.598 56 R HA 0.665 5.005 4.340 -0.000 0.000 0.279 56 R C -1.486 174.874 176.300 0.099 0.000 0.984 56 R CA -0.726 55.411 56.100 0.062 0.000 0.999 56 R CB 2.314 32.645 30.300 0.051 0.000 1.114 56 R HN 0.391 nan 8.270 nan 0.000 0.493 57 Y N 1.083 121.356 120.300 -0.046 0.000 2.470 57 Y HA 0.188 4.738 4.550 -0.000 0.000 0.341 57 Y C 0.778 176.649 175.900 -0.049 0.000 1.021 57 Y CA -0.328 57.736 58.100 -0.060 0.000 1.025 57 Y CB 1.576 39.998 38.460 -0.063 0.000 1.266 57 Y HN 0.837 nan 8.280 nan 0.000 0.448 58 S N 3.165 118.337 115.700 -0.880 0.000 4.116 58 S HA -0.379 4.091 4.470 -0.000 0.000 0.538 58 S C 0.415 174.790 174.600 -0.375 0.000 0.935 58 S CA 2.274 60.036 58.200 -0.729 0.000 3.405 58 S CB -1.125 61.421 63.200 -1.089 0.000 2.341 58 S HN 0.892 nan 8.310 nan 0.000 0.475 59 E N 1.015 121.026 120.200 -0.315 0.000 2.795 59 E HA 0.615 4.965 4.350 -0.000 0.000 0.226 59 E C -1.144 175.434 176.600 -0.037 0.000 1.088 59 E CA -0.246 56.084 56.400 -0.118 0.000 0.812 59 E CB 0.132 29.792 29.700 -0.067 0.000 1.328 59 E HN 0.465 nan 8.360 nan 0.000 0.410 60 L N 1.110 122.336 121.223 0.005 0.000 2.479 60 L HA 0.636 4.976 4.340 -0.000 0.000 0.255 60 L C -0.184 176.708 176.870 0.037 0.000 1.026 60 L CA -1.221 53.659 54.840 0.066 0.000 0.842 60 L CB 1.872 44.037 42.059 0.176 0.000 1.444 60 L HN 0.401 nan 8.230 nan 0.000 0.409 61 A N 1.784 124.613 122.820 0.015 0.000 2.561 61 A HA 0.376 4.696 4.320 -0.000 0.000 0.234 61 A C -2.382 175.176 177.584 -0.043 0.000 1.055 61 A CA -0.373 51.651 52.037 -0.022 0.000 0.756 61 A CB -0.795 18.174 19.000 -0.052 0.000 0.986 61 A HN 0.367 nan 8.150 nan 0.000 0.505 62 P HA 0.398 nan 4.420 nan 0.000 0.275 62 P C -0.765 176.351 177.300 -0.306 0.000 1.228 62 P CA -0.022 63.052 63.100 -0.044 0.000 0.786 62 P CB 0.590 32.371 31.700 0.135 0.000 0.927 63 L N 2.670 123.779 121.223 -0.190 0.000 2.330 63 L HA 0.572 4.912 4.340 -0.000 0.000 0.271 63 L C -0.233 176.639 176.870 0.004 0.000 1.013 63 L CA -0.684 53.992 54.840 -0.272 0.000 0.816 63 L CB 1.040 43.044 42.059 -0.092 0.000 1.287 63 L HN 0.324 nan 8.230 nan 0.000 0.435 64 F N -0.092 119.896 119.950 0.063 0.000 2.563 64 F HA 0.357 4.884 4.527 -0.000 0.000 0.316 64 F C 0.391 176.259 175.800 0.113 0.000 1.076 64 F CA -0.849 57.210 58.000 0.098 0.000 0.921 64 F CB 1.949 40.993 39.000 0.073 0.000 1.209 64 F HN 0.568 nan 8.300 nan 0.000 0.462 65 D N -0.355 120.281 120.400 0.393 0.000 2.332 65 D HA -0.219 4.421 4.640 -0.000 0.000 0.166 65 D C 0.255 176.721 176.300 0.277 0.000 1.574 65 D CA 2.074 56.233 54.000 0.265 0.000 1.598 65 D CB -0.681 40.220 40.800 0.169 0.000 1.354 65 D HN 0.669 nan 8.370 nan 0.000 0.481 66 T N -2.450 112.243 114.554 0.232 0.000 2.737 66 T HA 0.454 4.804 4.350 -0.000 0.000 0.312 66 T C -1.297 173.442 174.700 0.064 0.000 1.857 66 T CA 0.670 62.869 62.100 0.165 0.000 0.999 66 T CB 1.530 70.469 68.868 0.117 0.000 1.854 66 T HN 0.353 nan 8.240 nan 0.000 0.513 67 T N 0.542 115.098 114.554 0.004 0.000 2.686 67 T HA 0.544 4.894 4.350 -0.000 0.000 0.289 67 T C -2.039 172.588 174.700 -0.121 0.000 1.783 67 T CA -0.557 61.511 62.100 -0.053 0.000 0.966 67 T CB 0.672 69.499 68.868 -0.067 0.000 2.034 67 T HN 0.779 nan 8.240 nan 0.000 0.436 68 R N 0.981 121.360 120.500 -0.201 0.000 2.564 68 R HA 0.623 4.963 4.340 -0.000 0.000 0.284 68 R C -1.096 174.904 176.300 -0.500 0.000 1.031 68 R CA -0.808 55.057 56.100 -0.391 0.000 0.904 68 R CB 2.124 32.090 30.300 -0.556 0.000 1.199 68 R HN 0.645 nan 8.270 nan 0.000 0.443 69 V N -0.039 119.602 119.914 -0.454 0.000 2.483 69 V HA 0.618 4.738 4.120 -0.000 0.000 0.295 69 V C -1.032 174.843 176.094 -0.364 0.000 1.035 69 V CA -0.823 61.288 62.300 -0.315 0.000 0.896 69 V CB 1.168 32.873 31.823 -0.196 0.000 0.986 69 V HN 0.591 nan 8.190 nan 0.000 0.447 70 Y N 3.989 124.252 120.300 -0.061 0.000 2.335 70 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 70 Y C -0.002 175.883 175.900 -0.025 0.000 0.977 70 Y CA -0.831 57.245 58.100 -0.041 0.000 1.114 70 Y CB 1.916 40.356 38.460 -0.032 0.000 1.182 70 Y HN 0.559 nan 8.280 nan 0.000 0.463 71 L N 5.183 126.488 121.223 0.138 0.000 2.262 71 L HA 0.662 5.002 4.340 -0.000 0.000 0.288 71 L C -0.688 176.286 176.870 0.174 0.000 1.035 71 L CA -0.782 54.124 54.840 0.109 0.000 0.820 71 L CB 1.053 43.141 42.059 0.048 0.000 1.204 71 L HN 0.450 nan 8.230 nan 0.000 0.424 72 V N 3.036 123.064 119.914 0.190 0.000 2.851 72 V HA 0.279 4.399 4.120 -0.000 0.000 0.307 72 V C -0.118 176.074 176.094 0.163 0.000 1.129 72 V CA -0.547 61.846 62.300 0.155 0.000 0.932 72 V CB 2.170 34.023 31.823 0.051 0.000 1.024 72 V HN 0.804 nan 8.190 nan 0.000 0.426 73 D N 3.672 124.059 120.400 -0.022 0.000 2.103 73 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 73 D C 1.304 177.498 176.300 -0.178 0.000 0.978 73 D CA 1.830 55.652 54.000 -0.296 0.000 0.829 73 D CB -0.509 39.676 40.800 -1.025 0.000 0.981 73 D HN 0.742 nan 8.370 nan 0.000 0.464 74 N N 0.864 119.453 118.700 -0.184 0.000 2.089 74 N HA -0.180 4.560 4.740 -0.000 0.000 0.198 74 N C 0.021 175.506 175.510 -0.040 0.000 1.017 74 N CA 1.094 54.081 53.050 -0.105 0.000 0.880 74 N CB -0.390 38.040 38.487 -0.096 0.000 1.042 74 N HN 0.181 nan 8.380 nan 0.000 0.446 75 K N 1.296 121.682 120.400 -0.023 0.000 2.490 75 K HA -0.148 4.172 4.320 -0.000 0.000 0.264 75 K C 0.768 177.375 176.600 0.012 0.000 1.027 75 K CA -0.067 56.220 56.287 -0.000 0.000 1.139 75 K CB 0.216 32.728 32.500 0.020 0.000 0.792 75 K HN 0.212 nan 8.250 nan 0.000 0.479 76 S N 1.983 117.689 115.700 0.011 0.000 2.368 76 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 76 S C 2.182 176.800 174.600 0.030 0.000 1.030 76 S CA 1.925 60.137 58.200 0.020 0.000 0.999 76 S CB -0.292 62.917 63.200 0.015 0.000 0.844 76 S HN 0.878 nan 8.310 nan 0.000 0.459 77 T N 2.385 116.957 114.554 0.030 0.000 2.643 77 T HA -0.214 4.136 4.350 -0.000 0.000 0.264 77 T C 1.664 176.391 174.700 0.045 0.000 1.045 77 T CA 1.628 63.749 62.100 0.035 0.000 1.155 77 T CB -0.982 67.908 68.868 0.037 0.000 0.863 77 T HN 0.535 nan 8.240 nan 0.000 0.420 78 D N 1.718 122.150 120.400 0.053 0.000 2.144 78 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 78 D C 2.199 178.549 176.300 0.083 0.000 0.984 78 D CA 0.961 55.001 54.000 0.068 0.000 0.834 78 D CB -1.067 39.781 40.800 0.079 0.000 0.955 78 D HN 0.419 nan 8.370 nan 0.000 0.465 79 V N 1.548 121.508 119.914 0.077 0.000 2.287 79 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 79 V C 2.886 179.050 176.094 0.116 0.000 1.053 79 V CA 2.088 64.444 62.300 0.092 0.000 1.027 79 V CB -1.131 30.733 31.823 0.068 0.000 0.646 79 V HN 0.435 nan 8.190 nan 0.000 0.447 80 A N 0.686 123.558 122.820 0.086 0.000 1.842 80 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 80 A C 2.443 180.058 177.584 0.053 0.000 1.206 80 A CA 3.175 55.258 52.037 0.076 0.000 0.630 80 A CB -1.058 17.967 19.000 0.043 0.000 0.839 80 A HN 0.681 nan 8.150 nan 0.000 0.447 81 S N 0.252 115.974 115.700 0.036 0.000 2.365 81 S HA 0.023 4.493 4.470 -0.000 0.000 0.194 81 S C 1.731 176.356 174.600 0.041 0.000 1.093 81 S CA 0.924 59.131 58.200 0.012 0.000 1.224 81 S CB -1.358 61.852 63.200 0.017 0.000 0.961 81 S HN 0.428 nan 8.310 nan 0.000 0.412 82 L N 2.321 123.581 121.223 0.062 0.000 2.158 82 L HA -0.224 4.116 4.340 -0.000 0.000 0.249 82 L C 1.071 178.017 176.870 0.128 0.000 1.097 82 L CA 1.588 56.479 54.840 0.086 0.000 0.844 82 L CB -1.612 40.503 42.059 0.093 0.000 0.940 82 L HN 0.498 nan 8.230 nan 0.000 0.436 83 N N -0.925 117.870 118.700 0.158 0.000 2.381 83 N HA -0.002 4.738 4.740 -0.000 0.000 0.241 83 N C 0.045 175.703 175.510 0.248 0.000 1.279 83 N CA 0.456 53.618 53.050 0.187 0.000 0.896 83 N CB 1.333 39.934 38.487 0.191 0.000 1.118 83 N HN 0.495 nan 8.380 nan 0.000 0.438 84 Y N -0.416 119.910 120.300 0.045 0.000 2.980 84 Y HA -0.021 4.529 4.550 -0.000 0.000 0.142 84 Y C 0.596 176.503 175.900 0.013 0.000 0.999 84 Y CA 0.086 58.200 58.100 0.024 0.000 1.833 84 Y CB -0.091 38.382 38.460 0.021 0.000 1.290 84 Y HN 0.466 nan 8.280 nan 0.000 0.258 85 Q N 1.999 121.873 119.800 0.124 0.000 2.373 85 Q HA 0.168 4.508 4.340 -0.000 0.000 0.206 85 Q C -0.304 175.698 176.000 0.003 0.000 0.942 85 Q CA 0.166 55.975 55.803 0.010 0.000 0.953 85 Q CB 0.042 28.839 28.738 0.098 0.000 1.022 85 Q HN 0.307 nan 8.270 nan 0.000 0.502 86 N N 1.299 120.018 118.700 0.032 0.000 2.604 86 N HA 0.285 5.025 4.740 -0.000 0.000 0.297 86 N C -0.633 174.877 175.510 0.000 0.000 1.266 86 N CA -0.184 52.897 53.050 0.050 0.000 0.961 86 N CB 1.095 39.663 38.487 0.135 0.000 1.166 86 N HN 0.067 nan 8.380 nan 0.000 0.601 87 D N -3.280 117.138 120.400 0.030 0.000 2.626 87 D HA 0.147 4.787 4.640 -0.000 0.000 0.278 87 D C -0.983 175.360 176.300 0.072 0.000 1.211 87 D CA -0.570 53.399 54.000 -0.052 0.000 0.903 87 D CB 0.200 40.921 40.800 -0.132 0.000 1.408 87 D HN 0.414 nan 8.370 nan 0.000 0.454 88 H N -0.159 118.831 119.070 -0.132 0.000 4.757 88 H HA 0.299 4.855 4.556 -0.000 0.000 0.167 88 H C -0.032 175.298 175.328 0.003 0.000 1.205 88 H CA 0.130 56.064 56.048 -0.191 0.000 1.354 88 H CB 0.009 29.631 29.762 -0.232 0.000 1.570 88 H HN 0.333 nan 8.280 nan 0.000 0.884 89 S N 1.178 117.041 115.700 0.272 0.000 2.474 89 S HA -0.047 4.423 4.470 -0.000 0.000 0.223 89 S C -0.605 174.103 174.600 0.180 0.000 0.880 89 S CA -0.483 57.813 58.200 0.160 0.000 1.579 89 S CB 0.193 63.407 63.200 0.023 0.000 1.264 89 S HN 0.549 nan 8.310 nan 0.000 0.616 90 N N 1.114 120.000 118.700 0.309 0.000 3.151 90 N HA 0.352 5.092 4.740 -0.000 0.000 0.219 90 N C -1.046 174.648 175.510 0.307 0.000 1.434 90 N CA -0.282 52.891 53.050 0.205 0.000 0.767 90 N CB 0.129 38.692 38.487 0.127 0.000 1.564 90 N HN 0.387 nan 8.380 nan 0.000 0.612 91 F N 0.300 120.284 119.950 0.056 0.000 2.664 91 F HA 0.746 5.273 4.527 -0.000 0.000 0.317 91 F C -1.343 174.483 175.800 0.044 0.000 1.108 91 F CA -1.120 56.914 58.000 0.057 0.000 0.957 91 F CB 1.316 40.356 39.000 0.067 0.000 1.365 91 F HN -0.054 nan 8.300 nan 0.000 0.475 92 L N 0.918 122.258 121.223 0.194 0.000 2.332 92 L HA 0.838 5.178 4.340 -0.000 0.000 0.269 92 L C -0.378 176.593 176.870 0.167 0.000 1.016 92 L CA -0.863 54.009 54.840 0.053 0.000 0.809 92 L CB 2.082 44.182 42.059 0.069 0.000 1.280 92 L HN 0.937 nan 8.230 nan 0.000 0.447 93 T N -0.439 114.159 114.554 0.072 0.000 2.957 93 T HA 0.354 4.704 4.350 -0.000 0.000 0.336 93 T C -0.894 173.835 174.700 0.049 0.000 1.462 93 T CA -0.510 61.661 62.100 0.118 0.000 1.073 93 T CB 1.559 70.538 68.868 0.185 0.000 1.319 93 T HN 0.761 nan 8.240 nan 0.000 0.485 94 T N 1.274 115.859 114.554 0.051 0.000 2.845 94 T HA 0.522 4.872 4.350 -0.000 0.000 0.288 94 T C 1.182 175.892 174.700 0.016 0.000 0.980 94 T CA -0.590 61.525 62.100 0.024 0.000 1.071 94 T CB 1.232 70.118 68.868 0.029 0.000 0.941 94 T HN 0.369 nan 8.240 nan 0.000 0.487 95 V N 3.202 123.109 119.914 -0.012 0.000 3.506 95 V HA 0.008 4.128 4.120 -0.000 0.000 0.263 95 V C 2.333 178.397 176.094 -0.051 0.000 1.203 95 V CA 0.031 62.317 62.300 -0.022 0.000 1.133 95 V CB -0.818 30.973 31.823 -0.053 0.000 0.802 95 V HN 0.804 nan 8.190 nan 0.000 0.459 96 I N 0.166 120.699 120.570 -0.062 0.000 2.087 96 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 96 I C 1.794 177.845 176.117 -0.110 0.000 1.054 96 I CA 1.446 62.678 61.300 -0.113 0.000 1.311 96 I CB -0.974 36.998 38.000 -0.048 0.000 1.024 96 I HN 0.420 nan 8.210 nan 0.000 0.402 97 Q N -0.140 119.641 119.800 -0.032 0.000 2.452 97 Q HA -0.255 4.085 4.340 -0.000 0.000 0.248 97 Q C 0.250 176.245 176.000 -0.008 0.000 0.874 97 Q CA 0.853 56.646 55.803 -0.018 0.000 1.208 97 Q CB -2.732 25.999 28.738 -0.011 0.000 1.569 97 Q HN 0.816 nan 8.270 nan 0.000 0.579 98 N N 0.615 119.332 118.700 0.028 0.000 2.444 98 N HA 0.144 4.884 4.740 -0.000 0.000 0.262 98 N C 1.185 176.779 175.510 0.140 0.000 0.974 98 N CA -0.111 53.001 53.050 0.104 0.000 0.933 98 N CB 0.541 39.159 38.487 0.219 0.000 1.137 98 N HN 0.101 nan 8.380 nan 0.000 0.498 99 N N 3.648 122.402 118.700 0.090 0.000 2.133 99 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 99 N C -0.325 175.224 175.510 0.065 0.000 1.012 99 N CA 1.511 54.598 53.050 0.063 0.000 0.871 99 N CB -0.023 38.484 38.487 0.033 0.000 1.011 99 N HN 0.673 nan 8.380 nan 0.000 0.435 100 D N -0.589 119.854 120.400 0.071 0.000 2.398 100 D HA 0.074 4.714 4.640 -0.000 0.000 0.264 100 D C -0.081 176.263 176.300 0.073 0.000 1.263 100 D CA 0.055 54.018 54.000 -0.061 0.000 1.037 100 D CB -0.010 40.597 40.800 -0.322 0.000 1.101 100 D HN 0.213 nan 8.370 nan 0.000 0.551 101 Y N -1.068 119.250 120.300 0.030 0.000 2.611 101 Y HA -0.230 4.320 4.550 -0.000 0.000 0.032 101 Y C 0.490 176.406 175.900 0.027 0.000 1.807 101 Y CA -0.379 57.740 58.100 0.032 0.000 1.343 101 Y CB -1.324 37.167 38.460 0.052 0.000 1.994 101 Y HN 0.168 nan 8.280 nan 0.000 0.270 102 S N 4.987 120.786 115.700 0.165 0.000 2.533 102 S HA 0.372 4.842 4.470 -0.000 0.000 0.282 102 S C -2.099 172.563 174.600 0.103 0.000 1.304 102 S CA -1.225 57.035 58.200 0.100 0.000 1.063 102 S CB 1.193 64.433 63.200 0.068 0.000 0.881 102 S HN 0.458 nan 8.310 nan 0.000 0.493 103 P HA 0.156 nan 4.420 nan 0.000 0.269 103 P C 1.256 178.588 177.300 0.054 0.000 1.211 103 P CA 1.125 64.264 63.100 0.064 0.000 0.781 103 P CB 0.064 31.796 31.700 0.053 0.000 0.877 104 G N 1.774 110.600 108.800 0.043 0.000 3.909 104 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 104 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 104 G C 1.214 176.136 174.900 0.036 0.000 1.404 104 G CA 0.548 45.668 45.100 0.034 0.000 0.905 104 G HN 0.611 nan 8.290 nan 0.000 0.589 105 E N 1.772 122.006 120.200 0.056 0.000 2.265 105 E HA 0.203 4.553 4.350 -0.000 0.000 0.196 105 E C 2.638 179.266 176.600 0.046 0.000 0.996 105 E CA 1.726 58.167 56.400 0.068 0.000 0.832 105 E CB -0.345 29.428 29.700 0.121 0.000 0.756 105 E HN 0.895 nan 8.360 nan 0.000 0.491 106 A N 0.776 123.624 122.820 0.047 0.000 1.872 106 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 106 A C 2.335 179.911 177.584 -0.013 0.000 1.187 106 A CA 1.553 53.592 52.037 0.003 0.000 0.614 106 A CB -0.988 18.033 19.000 0.035 0.000 0.826 106 A HN 0.382 nan 8.150 nan 0.000 0.442 107 S N -0.415 115.288 115.700 0.005 0.000 2.428 107 S HA -0.229 4.241 4.470 -0.000 0.000 0.240 107 S C 1.870 176.464 174.600 -0.011 0.000 1.036 107 S CA 2.516 60.715 58.200 -0.001 0.000 1.009 107 S CB -0.831 62.373 63.200 0.007 0.000 0.803 107 S HN 0.606 nan 8.310 nan 0.000 0.486 108 T N 1.758 116.303 114.554 -0.015 0.000 2.737 108 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 108 T C 1.030 175.706 174.700 -0.041 0.000 1.038 108 T CA 0.912 62.998 62.100 -0.024 0.000 1.144 108 T CB -0.277 68.578 68.868 -0.022 0.000 0.866 108 T HN 0.613 nan 8.240 nan 0.000 0.434 109 Q N 1.264 121.026 119.800 -0.063 0.000 2.700 109 Q HA 0.311 4.651 4.340 -0.000 0.000 0.232 109 Q C 0.108 176.106 176.000 -0.003 0.000 1.110 109 Q CA 0.274 56.040 55.803 -0.062 0.000 1.026 109 Q CB 0.390 29.088 28.738 -0.067 0.000 1.311 109 Q HN 0.510 nan 8.270 nan 0.000 0.583 110 T N -2.710 111.864 114.554 0.032 0.000 2.942 110 T HA 0.541 4.891 4.350 -0.000 0.000 0.327 110 T C -0.745 174.006 174.700 0.086 0.000 1.360 110 T CA -0.818 61.301 62.100 0.032 0.000 1.055 110 T CB 0.555 69.417 68.868 -0.010 0.000 1.261 110 T HN 0.407 nan 8.240 nan 0.000 0.485 111 I N 3.067 123.651 120.570 0.024 0.000 2.325 111 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 111 I C -0.239 175.837 176.117 -0.068 0.000 1.019 111 I CA -0.863 60.434 61.300 -0.005 0.000 1.302 111 I CB 0.744 38.686 38.000 -0.097 0.000 1.401 111 I HN 0.560 nan 8.210 nan 0.000 0.485 112 N N 8.337 126.998 118.700 -0.065 0.000 2.444 112 N HA 0.419 5.159 4.740 -0.000 0.000 0.262 112 N C -0.759 174.628 175.510 -0.204 0.000 0.974 112 N CA -0.478 52.507 53.050 -0.107 0.000 0.933 112 N CB 2.193 40.651 38.487 -0.049 0.000 1.137 112 N HN 0.421 nan 8.380 nan 0.000 0.498 113 L N 1.119 122.126 121.223 -0.360 0.000 2.276 113 L HA 0.184 4.524 4.340 -0.000 0.000 0.286 113 L C 0.849 177.585 176.870 -0.224 0.000 1.061 113 L CA -0.836 53.556 54.840 -0.746 0.000 0.807 113 L CB 0.580 41.678 42.059 -1.600 0.000 1.177 113 L HN 0.370 nan 8.230 nan 0.000 0.429 114 D N 2.430 122.896 120.400 0.111 0.000 2.973 114 D HA -0.222 4.418 4.640 -0.000 0.000 0.214 114 D C 0.805 177.300 176.300 0.324 0.000 1.079 114 D CA 0.600 54.777 54.000 0.294 0.000 0.797 114 D CB 0.725 41.761 40.800 0.393 0.000 1.168 114 D HN 0.579 nan 8.370 nan 0.000 0.515 115 D N 3.257 123.747 120.400 0.150 0.000 2.149 115 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 115 D C 1.539 177.869 176.300 0.051 0.000 0.972 115 D CA 0.660 54.718 54.000 0.098 0.000 0.835 115 D CB 0.185 41.013 40.800 0.046 0.000 0.966 115 D HN 0.485 nan 8.370 nan 0.000 0.476 116 R N -0.070 120.447 120.500 0.029 0.000 2.377 116 R HA 0.047 4.387 4.340 -0.000 0.000 0.207 116 R C 0.383 176.608 176.300 -0.125 0.000 1.075 116 R CA 0.315 56.387 56.100 -0.047 0.000 1.035 116 R CB 0.083 30.358 30.300 -0.041 0.000 0.857 116 R HN -0.024 nan 8.270 nan 0.000 0.475 117 S N -0.306 115.327 115.700 -0.111 0.000 2.570 117 S HA 0.320 4.790 4.470 -0.000 0.000 0.286 117 S C -0.961 173.487 174.600 -0.253 0.000 1.099 117 S CA -0.929 57.103 58.200 -0.280 0.000 0.913 117 S CB 1.948 64.888 63.200 -0.432 0.000 1.085 117 S HN 0.127 nan 8.310 nan 0.000 0.480 118 H N 0.658 119.660 119.070 -0.113 0.000 2.723 118 H HA 0.254 4.810 4.556 -0.000 0.000 0.294 118 H C -0.920 174.368 175.328 -0.066 0.000 1.079 118 H CA -0.253 55.794 56.048 -0.001 0.000 1.411 118 H CB 0.322 30.080 29.762 -0.006 0.000 1.439 118 H HN 0.527 nan 8.280 nan 0.000 0.474 119 W N 1.595 122.957 121.300 0.102 0.000 2.390 119 W HA 0.544 5.204 4.660 -0.000 0.000 0.362 119 W C 0.657 177.195 176.519 0.033 0.000 1.206 119 W CA -0.387 56.987 57.345 0.047 0.000 1.355 119 W CB 1.187 30.660 29.460 0.021 0.000 1.278 119 W HN 0.663 nan 8.180 nan 0.000 0.653 120 G N -0.787 108.191 108.800 0.297 0.000 2.692 120 G HA2 0.630 4.590 3.960 -0.000 0.000 0.291 120 G HA3 0.630 4.590 3.960 -0.000 0.000 0.291 120 G C -1.549 173.434 174.900 0.138 0.000 1.423 120 G CA -0.640 44.552 45.100 0.153 0.000 0.843 120 G HN 0.724 nan 8.290 nan 0.000 0.486 121 G N -0.227 108.611 108.800 0.063 0.000 2.682 121 G HA2 0.564 4.524 3.960 -0.000 0.000 0.300 121 G HA3 0.564 4.524 3.960 -0.000 0.000 0.300 121 G C -1.328 173.570 174.900 -0.004 0.000 1.391 121 G CA -0.646 44.471 45.100 0.030 0.000 0.990 121 G HN 0.433 nan 8.290 nan 0.000 0.501 122 D N 0.510 120.902 120.400 -0.013 0.000 2.350 122 D HA 0.253 4.893 4.640 -0.000 0.000 0.249 122 D C -0.538 175.734 176.300 -0.048 0.000 1.119 122 D CA 0.104 54.090 54.000 -0.024 0.000 0.886 122 D CB 2.729 43.515 40.800 -0.023 0.000 1.195 122 D HN 0.187 nan 8.370 nan 0.000 0.437 123 L N 2.818 124.014 121.223 -0.045 0.000 2.388 123 L HA 0.235 4.575 4.340 -0.000 0.000 0.267 123 L C -0.647 176.194 176.870 -0.049 0.000 0.995 123 L CA -0.565 54.229 54.840 -0.077 0.000 0.864 123 L CB 0.685 42.670 42.059 -0.123 0.000 1.216 123 L HN 0.165 nan 8.230 nan 0.000 0.430 124 K N 2.599 122.956 120.400 -0.072 0.000 2.156 124 K HA 0.847 5.167 4.320 -0.000 0.000 0.254 124 K C -0.453 176.088 176.600 -0.097 0.000 0.950 124 K CA -0.671 55.571 56.287 -0.075 0.000 0.849 124 K CB 1.747 34.209 32.500 -0.062 0.000 1.100 124 K HN 0.572 nan 8.250 nan 0.000 0.434 125 T N -1.581 112.914 114.554 -0.099 0.000 2.901 125 T HA 0.606 4.956 4.350 -0.000 0.000 0.293 125 T C -0.313 174.423 174.700 0.060 0.000 1.084 125 T CA -0.958 61.084 62.100 -0.097 0.000 1.008 125 T CB 0.907 69.527 68.868 -0.413 0.000 1.170 125 T HN 0.508 nan 8.240 nan 0.000 0.509 126 I N 2.137 122.792 120.570 0.141 0.000 2.420 126 I HA 0.427 4.597 4.170 -0.000 0.000 0.282 126 I C -1.227 175.047 176.117 0.262 0.000 1.019 126 I CA -0.895 60.500 61.300 0.158 0.000 1.130 126 I CB 1.545 39.599 38.000 0.091 0.000 1.262 126 I HN 0.476 nan 8.210 nan 0.000 0.454 127 L N 7.056 128.462 121.223 0.304 0.000 2.329 127 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 127 L C -0.966 176.073 176.870 0.283 0.000 1.014 127 L CA -0.069 54.961 54.840 0.316 0.000 0.814 127 L CB 1.354 43.636 42.059 0.372 0.000 1.257 127 L HN 0.527 nan 8.230 nan 0.000 0.424 128 H N 2.948 122.090 119.070 0.121 0.000 2.934 128 H HA 0.476 5.032 4.556 -0.000 0.000 0.340 128 H C -1.045 174.386 175.328 0.172 0.000 1.008 128 H CA -0.132 55.998 56.048 0.136 0.000 1.317 128 H CB 1.425 31.281 29.762 0.157 0.000 1.670 128 H HN 0.845 nan 8.280 nan 0.000 0.516 129 T N 1.011 115.564 114.554 -0.002 0.000 2.780 129 T HA 0.332 4.682 4.350 -0.000 0.000 0.263 129 T C 0.228 174.824 174.700 -0.172 0.000 0.993 129 T CA -0.654 61.425 62.100 -0.035 0.000 1.010 129 T CB 1.077 69.996 68.868 0.084 0.000 1.642 129 T HN 0.846 nan 8.240 nan 0.000 0.587 130 N N -1.171 117.536 118.700 0.012 0.000 3.444 130 N HA 0.054 4.794 4.740 -0.000 0.000 0.148 130 N C -0.797 174.797 175.510 0.141 0.000 1.071 130 N CA -0.429 52.636 53.050 0.025 0.000 2.391 130 N CB -0.258 38.204 38.487 -0.042 0.000 1.507 130 N HN 0.611 nan 8.380 nan 0.000 0.732 131 M N 1.380 121.013 119.600 0.056 0.000 2.216 131 M HA 0.470 4.950 4.480 -0.000 0.000 0.356 131 M C -2.667 173.546 176.300 -0.145 0.000 1.205 131 M CA -1.118 54.023 55.300 -0.264 0.000 1.122 131 M CB 0.999 33.361 32.600 -0.396 0.000 1.571 131 M HN -0.016 nan 8.290 nan 0.000 0.464 132 P HA 0.143 nan 4.420 nan 0.000 0.275 132 P C -0.214 176.854 177.300 -0.386 0.000 1.227 132 P CA 0.018 63.044 63.100 -0.123 0.000 0.781 132 P CB 0.501 32.149 31.700 -0.086 0.000 0.906 133 N N 1.781 120.008 118.700 -0.788 0.000 2.036 133 N HA -0.150 4.590 4.740 -0.000 0.000 0.199 133 N C -0.339 174.927 175.510 -0.406 0.000 1.036 133 N CA 1.067 53.757 53.050 -0.601 0.000 0.870 133 N CB 0.049 37.968 38.487 -0.947 0.000 1.055 133 N HN 0.099 nan 8.380 nan 0.000 0.436 134 V N 1.843 121.490 119.914 -0.444 0.000 2.313 134 V HA 0.316 4.436 4.120 -0.000 0.000 0.278 134 V C -0.715 175.297 176.094 -0.138 0.000 1.017 134 V CA -0.783 61.379 62.300 -0.230 0.000 0.823 134 V CB 0.814 32.525 31.823 -0.187 0.000 1.010 134 V HN 0.482 nan 8.190 nan 0.000 0.443 135 N N 2.316 120.972 118.700 -0.073 0.000 2.774 135 N HA 0.285 5.025 4.740 -0.000 0.000 0.264 135 N C 0.499 176.070 175.510 0.102 0.000 1.415 135 N CA -0.882 52.184 53.050 0.026 0.000 0.815 135 N CB 1.635 40.139 38.487 0.028 0.000 1.514 135 N HN 0.346 nan 8.380 nan 0.000 0.523 136 E N -0.520 119.785 120.200 0.175 0.000 2.072 136 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 136 E C 1.097 177.859 176.600 0.269 0.000 0.982 136 E CA 0.754 57.286 56.400 0.220 0.000 0.803 136 E CB -0.184 29.635 29.700 0.199 0.000 0.755 136 E HN 0.509 nan 8.360 nan 0.000 0.453 137 F N 0.744 120.752 119.950 0.097 0.000 2.171 137 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 137 F C 1.837 177.478 175.800 -0.265 0.000 1.090 137 F CA 1.147 59.137 58.000 -0.018 0.000 1.293 137 F CB 0.029 39.088 39.000 0.097 0.000 1.013 137 F HN 0.056 nan 8.300 nan 0.000 0.486 138 M N -0.480 118.867 119.600 -0.420 0.000 2.556 138 M HA 0.095 4.575 4.480 -0.000 0.000 0.245 138 M C 0.129 176.259 176.300 -0.283 0.000 1.128 138 M CA 0.321 55.266 55.300 -0.592 0.000 1.069 138 M CB -1.427 30.982 32.600 -0.318 0.000 1.469 138 M HN 0.356 nan 8.290 nan 0.000 0.494 139 F N 0.774 120.657 119.950 -0.111 0.000 2.950 139 F HA -0.245 4.282 4.527 -0.000 0.000 0.334 139 F C 0.638 176.426 175.800 -0.021 0.000 0.979 139 F CA 0.333 58.307 58.000 -0.044 0.000 1.140 139 F CB -2.264 36.709 39.000 -0.045 0.000 1.281 139 F HN 0.287 nan 8.300 nan 0.000 0.734 140 T N -4.063 110.582 114.554 0.152 0.000 3.209 140 T HA 0.093 4.443 4.350 -0.000 0.000 0.295 140 T C 0.904 175.644 174.700 0.066 0.000 0.977 140 T CA 0.330 62.469 62.100 0.064 0.000 0.922 140 T CB 0.058 68.907 68.868 -0.031 0.000 1.152 140 T HN 0.455 nan 8.240 nan 0.000 0.527 141 N N 0.810 119.581 118.700 0.117 0.000 2.184 141 N HA 0.209 4.949 4.740 -0.000 0.000 0.206 141 N C -0.023 175.590 175.510 0.171 0.000 1.151 141 N CA -0.429 52.693 53.050 0.120 0.000 0.878 141 N CB 0.542 39.093 38.487 0.107 0.000 1.014 141 N HN 0.369 nan 8.380 nan 0.000 0.512 142 K N 0.139 120.656 120.400 0.194 0.000 2.433 142 K HA 0.556 4.876 4.320 -0.000 0.000 0.252 142 K C -1.552 175.249 176.600 0.334 0.000 1.015 142 K CA -0.856 55.548 56.287 0.195 0.000 0.860 142 K CB 2.249 34.790 32.500 0.069 0.000 1.359 142 K HN 0.106 nan 8.250 nan 0.000 0.452 143 F N -1.408 118.572 119.950 0.050 0.000 2.637 143 F HA 0.325 4.852 4.527 -0.000 0.000 0.316 143 F C -1.721 174.092 175.800 0.022 0.000 1.023 143 F CA -1.095 56.897 58.000 -0.015 0.000 1.071 143 F CB 0.600 39.583 39.000 -0.028 0.000 1.319 143 F HN 0.195 nan 8.300 nan 0.000 0.541 144 K N 3.195 123.530 120.400 -0.108 0.000 2.174 144 K HA 0.872 5.192 4.320 -0.000 0.000 0.275 144 K C -0.522 176.147 176.600 0.113 0.000 1.015 144 K CA -0.434 55.777 56.287 -0.127 0.000 0.933 144 K CB 1.711 34.130 32.500 -0.135 0.000 1.025 144 K HN 0.899 nan 8.250 nan 0.000 0.463 145 A N 2.546 125.527 122.820 0.269 0.000 2.594 145 A HA 0.510 4.830 4.320 -0.000 0.000 0.295 145 A C -1.396 176.356 177.584 0.279 0.000 1.071 145 A CA -0.787 51.507 52.037 0.427 0.000 0.685 145 A CB 1.501 20.827 19.000 0.544 0.000 1.285 145 A HN 0.747 nan 8.150 nan 0.000 0.405 146 R N 0.780 121.225 120.500 -0.092 0.000 2.295 146 R HA 0.622 4.962 4.340 -0.000 0.000 0.324 146 R C -0.575 175.618 176.300 -0.178 0.000 0.968 146 R CA -0.296 55.529 56.100 -0.458 0.000 0.837 146 R CB 1.088 30.582 30.300 -1.343 0.000 1.133 146 R HN 0.972 nan 8.270 nan 0.000 0.450 147 V N 1.240 121.125 119.914 -0.048 0.000 3.158 147 V HA 0.573 4.693 4.120 -0.000 0.000 0.315 147 V C -0.085 176.109 176.094 0.167 0.000 1.148 147 V CA -1.334 61.012 62.300 0.077 0.000 1.042 147 V CB 1.892 33.764 31.823 0.082 0.000 1.101 147 V HN 0.819 nan 8.190 nan 0.000 0.448 148 M N 1.209 120.906 119.600 0.161 0.000 2.185 148 M HA 0.401 4.881 4.480 -0.000 0.000 0.357 148 M C 0.013 176.324 176.300 0.017 0.000 1.260 148 M CA -0.090 55.166 55.300 -0.073 0.000 1.124 148 M CB 1.545 34.024 32.600 -0.203 0.000 1.600 148 M HN 0.699 nan 8.290 nan 0.000 0.467 149 V N 2.167 122.047 119.914 -0.056 0.000 2.690 149 V HA 0.134 4.254 4.120 -0.000 0.000 0.240 149 V C 0.462 176.535 176.094 -0.036 0.000 1.078 149 V CA 0.981 63.295 62.300 0.023 0.000 1.102 149 V CB 0.575 32.413 31.823 0.025 0.000 0.800 149 V HN 0.936 nan 8.190 nan 0.000 0.479 150 S N 0.380 116.017 115.700 -0.104 0.000 2.541 150 S HA 0.742 5.212 4.470 -0.000 0.000 0.280 150 S C -0.870 173.655 174.600 -0.125 0.000 1.112 150 S CA -0.740 57.404 58.200 -0.093 0.000 0.925 150 S CB 2.748 65.906 63.200 -0.070 0.000 1.067 150 S HN 0.333 nan 8.310 nan 0.000 0.479 151 R N 1.559 122.008 120.500 -0.085 0.000 2.360 151 R HA 0.669 5.009 4.340 -0.000 0.000 0.318 151 R C -0.742 175.526 176.300 -0.053 0.000 0.950 151 R CA -0.015 56.039 56.100 -0.077 0.000 0.837 151 R CB 1.263 31.532 30.300 -0.052 0.000 1.165 151 R HN 0.981 nan 8.270 nan 0.000 0.458 152 S N 3.308 118.978 115.700 -0.049 0.000 2.632 152 S HA 0.510 4.980 4.470 -0.000 0.000 0.289 152 S C -1.298 173.286 174.600 -0.027 0.000 1.115 152 S CA -1.003 57.176 58.200 -0.036 0.000 0.889 152 S CB 1.657 64.837 63.200 -0.034 0.000 1.116 152 S HN 0.425 nan 8.310 nan 0.000 0.486 153 L N 2.130 123.340 121.223 -0.022 0.000 2.255 153 L HA 0.661 5.000 4.340 -0.000 0.000 0.289 153 L C -0.548 176.313 176.870 -0.015 0.000 1.046 153 L CA 0.658 55.488 54.840 -0.017 0.000 0.816 153 L CB 0.507 42.557 42.059 -0.015 0.000 1.197 153 L HN 0.976 nan 8.230 nan 0.000 0.427 154 T N 3.293 117.840 114.554 -0.012 0.000 2.916 154 T HA 0.344 4.694 4.350 -0.000 0.000 0.292 154 T C -0.506 174.190 174.700 -0.007 0.000 1.064 154 T CA -0.987 61.107 62.100 -0.010 0.000 1.011 154 T CB 1.768 70.630 68.868 -0.010 0.000 1.152 154 T HN 0.439 nan 8.240 nan 0.000 0.510 155 K N 2.647 123.044 120.400 -0.006 0.000 3.679 155 K HA -0.306 4.014 4.320 -0.000 0.000 0.274 155 K C 0.036 176.633 176.600 -0.004 0.000 0.839 155 K CA 0.765 57.050 56.287 -0.004 0.000 0.663 155 K CB -1.153 31.346 32.500 -0.002 0.000 1.638 155 K HN 0.784 nan 8.250 nan 0.000 0.443 156 D N -1.473 118.925 120.400 -0.005 0.000 4.018 156 D HA -0.252 4.388 4.640 -0.000 0.000 0.207 156 D C 0.860 177.157 176.300 -0.004 0.000 1.219 156 D CA 2.311 56.308 54.000 -0.004 0.000 2.366 156 D CB -0.674 40.124 40.800 -0.003 0.000 1.202 156 D HN 0.577 nan 8.370 nan 0.000 0.414 157 K N 0.535 120.933 120.400 -0.003 0.000 2.412 157 K HA 0.186 4.506 4.320 -0.000 0.000 0.202 157 K C 0.419 177.017 176.600 -0.003 0.000 1.102 157 K CA -0.074 56.211 56.287 -0.003 0.000 1.027 157 K CB 0.782 33.281 32.500 -0.002 0.000 0.931 157 K HN 0.303 nan 8.250 nan 0.000 0.557 158 Q N 1.771 121.569 119.800 -0.003 0.000 2.352 158 Q HA 0.115 4.455 4.340 -0.000 0.000 0.260 158 Q C -0.176 175.821 176.000 -0.006 0.000 0.976 158 Q CA -0.261 55.541 55.803 -0.002 0.000 0.881 158 Q CB 1.305 30.042 28.738 -0.001 0.000 1.235 158 Q HN -0.015 nan 8.270 nan 0.000 0.419 159 V N -0.363 119.548 119.914 -0.005 0.000 2.311 159 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 159 V C -0.364 175.723 176.094 -0.012 0.000 1.022 159 V CA -0.673 61.620 62.300 -0.011 0.000 0.830 159 V CB 1.058 32.876 31.823 -0.009 0.000 1.012 159 V HN 0.760 nan 8.190 nan 0.000 0.452 160 E N 5.076 125.263 120.200 -0.021 0.000 2.081 160 E HA 0.494 4.844 4.350 -0.000 0.000 0.281 160 E C -1.072 175.496 176.600 -0.053 0.000 0.986 160 E CA -0.586 55.800 56.400 -0.024 0.000 0.796 160 E CB 1.188 30.875 29.700 -0.020 0.000 1.085 160 E HN 0.839 nan 8.360 nan 0.000 0.398 161 L N 5.116 126.304 121.223 -0.057 0.000 2.272 161 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 161 L C -0.066 176.706 176.870 -0.163 0.000 1.032 161 L CA -0.739 54.006 54.840 -0.158 0.000 0.810 161 L CB 0.984 42.964 42.059 -0.130 0.000 1.205 161 L HN 0.260 nan 8.230 nan 0.000 0.422 162 K N 4.186 124.436 120.400 -0.252 0.000 2.394 162 K HA 0.458 4.778 4.320 -0.000 0.000 0.260 162 K C -1.176 175.280 176.600 -0.241 0.000 0.967 162 K CA -0.509 55.692 56.287 -0.143 0.000 0.855 162 K CB 1.835 34.292 32.500 -0.073 0.000 1.101 162 K HN 0.261 nan 8.250 nan 0.000 0.433 163 Y N 0.436 120.705 120.300 -0.052 0.000 2.487 163 Y HA 0.445 4.995 4.550 -0.000 0.000 0.337 163 Y C 0.524 176.360 175.900 -0.107 0.000 1.076 163 Y CA -0.631 57.414 58.100 -0.092 0.000 1.115 163 Y CB 2.111 40.481 38.460 -0.150 0.000 1.235 163 Y HN 0.534 nan 8.280 nan 0.000 0.468 164 E N 0.967 121.188 120.200 0.034 0.000 2.392 164 E HA 0.312 4.662 4.350 -0.000 0.000 0.279 164 E C -2.029 174.519 176.600 -0.087 0.000 0.964 164 E CA -0.792 55.599 56.400 -0.014 0.000 0.777 164 E CB 1.355 31.086 29.700 0.052 0.000 1.249 164 E HN 0.607 nan 8.360 nan 0.000 0.449 165 W N 2.203 123.493 121.300 -0.016 0.000 2.313 165 W HA 0.533 5.193 4.660 -0.000 0.000 0.328 165 W C -0.321 176.097 176.519 -0.170 0.000 1.197 165 W CA -0.208 57.088 57.345 -0.081 0.000 1.235 165 W CB 1.481 30.897 29.460 -0.073 0.000 1.158 165 W HN 0.236 nan 8.180 nan 0.000 0.578 166 V N 2.471 122.361 119.914 -0.041 0.000 3.077 166 V HA 0.323 4.443 4.120 -0.000 0.000 0.299 166 V C -1.337 174.303 176.094 -0.758 0.000 1.276 166 V CA -0.991 61.091 62.300 -0.365 0.000 0.993 166 V CB 1.968 33.510 31.823 -0.470 0.000 1.076 166 V HN 0.584 nan 8.190 nan 0.000 0.434 167 E N 4.904 124.725 120.200 -0.632 0.000 2.081 167 E HA 0.501 4.851 4.350 -0.000 0.000 0.276 167 E C -1.516 174.687 176.600 -0.662 0.000 0.950 167 E CA -0.537 55.491 56.400 -0.619 0.000 0.776 167 E CB 0.758 30.284 29.700 -0.291 0.000 1.094 167 E HN 0.546 nan 8.360 nan 0.000 0.402 168 F N 1.933 121.643 119.950 -0.400 0.000 2.397 168 F HA 0.362 4.889 4.527 -0.000 0.000 0.331 168 F C 0.954 176.653 175.800 -0.170 0.000 1.090 168 F CA -0.793 57.039 58.000 -0.280 0.000 1.065 168 F CB 1.406 40.197 39.000 -0.348 0.000 1.184 168 F HN 0.230 nan 8.300 nan 0.000 0.499 169 T N 0.353 115.000 114.554 0.155 0.000 2.932 169 T HA 0.829 5.179 4.350 -0.000 0.000 0.289 169 T C -0.818 173.986 174.700 0.174 0.000 1.039 169 T CA -0.895 61.294 62.100 0.147 0.000 1.024 169 T CB 1.374 70.298 68.868 0.092 0.000 1.090 169 T HN 0.555 nan 8.240 nan 0.000 0.496 170 L N 1.780 123.097 121.223 0.157 0.000 2.322 170 L HA 0.597 4.937 4.340 -0.000 0.000 0.269 170 L C -2.153 174.772 176.870 0.091 0.000 1.012 170 L CA -2.716 52.200 54.840 0.126 0.000 0.815 170 L CB 2.223 44.348 42.059 0.109 0.000 1.295 170 L HN 0.556 nan 8.230 nan 0.000 0.438 171 P HA 0.143 nan 4.420 nan 0.000 0.280 171 P C -0.551 176.781 177.300 0.052 0.000 1.386 171 P CA -0.386 62.754 63.100 0.067 0.000 0.899 171 P CB 0.492 32.233 31.700 0.068 0.000 1.098 172 E N 1.818 122.050 120.200 0.054 0.000 2.864 172 E HA -0.030 4.320 4.350 -0.000 0.000 0.285 172 E C 1.319 177.938 176.600 0.032 0.000 0.965 172 E CA 1.728 58.153 56.400 0.041 0.000 0.985 172 E CB -0.087 29.660 29.700 0.078 0.000 1.000 172 E HN 0.771 nan 8.360 nan 0.000 0.475 173 G N 3.079 111.860 108.800 -0.031 0.000 4.731 173 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.266 173 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.266 173 G C -0.251 174.567 174.900 -0.137 0.000 1.635 173 G CA -0.060 45.051 45.100 0.019 0.000 1.229 173 G HN 0.829 nan 8.290 nan 0.000 0.663 174 N N 2.115 120.845 118.700 0.051 0.000 2.972 174 N HA -0.010 4.730 4.740 -0.000 0.000 0.295 174 N C 0.353 175.852 175.510 -0.019 0.000 1.162 174 N CA 1.362 54.453 53.050 0.070 0.000 0.895 174 N CB -1.088 37.412 38.487 0.022 0.000 1.022 174 N HN 0.700 nan 8.380 nan 0.000 0.610 175 Y N 1.029 121.302 120.300 -0.044 0.000 2.360 175 Y HA 0.172 4.722 4.550 -0.000 0.000 0.433 175 Y C 1.633 177.490 175.900 -0.072 0.000 1.305 175 Y CA 0.051 58.120 58.100 -0.052 0.000 1.980 175 Y CB -0.577 37.860 38.460 -0.039 0.000 1.700 175 Y HN 0.683 nan 8.280 nan 0.000 0.700 176 S N -0.588 115.187 115.700 0.124 0.000 3.339 176 S HA -0.187 4.283 4.470 -0.000 0.000 0.856 176 S C 0.811 175.380 174.600 -0.051 0.000 1.139 176 S CA 0.465 58.677 58.200 0.019 0.000 1.044 176 S CB -0.481 62.705 63.200 -0.023 0.000 0.721 176 S HN 0.786 nan 8.310 nan 0.000 0.267 177 E N 2.833 122.993 120.200 -0.067 0.000 2.021 177 E HA -0.079 4.271 4.350 -0.000 0.000 0.189 177 E C 1.820 178.332 176.600 -0.148 0.000 0.980 177 E CA 1.279 57.609 56.400 -0.117 0.000 0.803 177 E CB -1.048 28.582 29.700 -0.117 0.000 0.766 177 E HN 0.726 nan 8.360 nan 0.000 0.449 178 T N 1.884 116.357 114.554 -0.135 0.000 2.597 178 T HA -0.281 4.069 4.350 -0.000 0.000 0.267 178 T C 1.861 176.445 174.700 -0.194 0.000 1.053 178 T CA 2.115 64.122 62.100 -0.156 0.000 1.165 178 T CB -0.392 68.392 68.868 -0.140 0.000 0.863 178 T HN 0.217 nan 8.240 nan 0.000 0.427 179 M N 0.756 120.239 119.600 -0.195 0.000 2.202 179 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 179 M C 2.116 178.283 176.300 -0.222 0.000 1.063 179 M CA 1.536 56.684 55.300 -0.252 0.000 1.097 179 M CB -0.478 32.002 32.600 -0.201 0.000 1.382 179 M HN 0.231 nan 8.290 nan 0.000 0.413 180 T N 1.066 115.510 114.554 -0.183 0.000 2.788 180 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 180 T C 1.637 176.195 174.700 -0.237 0.000 1.044 180 T CA 1.569 63.556 62.100 -0.188 0.000 1.139 180 T CB -0.367 68.381 68.868 -0.201 0.000 0.867 180 T HN 0.417 nan 8.240 nan 0.000 0.454 181 I N 1.426 121.845 120.570 -0.252 0.000 2.099 181 I HA -0.219 3.951 4.170 -0.000 0.000 0.239 181 I C 2.332 178.335 176.117 -0.190 0.000 1.066 181 I CA 1.527 62.662 61.300 -0.276 0.000 1.324 181 I CB -0.518 37.363 38.000 -0.198 0.000 1.037 181 I HN 0.143 nan 8.210 nan 0.000 0.401 182 D N 1.080 121.374 120.400 -0.177 0.000 2.157 182 D HA -0.223 4.417 4.640 -0.000 0.000 0.191 182 D C 2.182 178.517 176.300 0.058 0.000 1.004 182 D CA 1.457 55.380 54.000 -0.129 0.000 0.854 182 D CB -0.514 39.969 40.800 -0.528 0.000 0.936 182 D HN 0.264 nan 8.370 nan 0.000 0.446 183 L N -0.429 120.798 121.223 0.006 0.000 2.127 183 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 183 L C 2.427 179.351 176.870 0.090 0.000 1.089 183 L CA 0.900 55.817 54.840 0.128 0.000 0.757 183 L CB -0.292 41.801 42.059 0.057 0.000 0.899 183 L HN 0.106 nan 8.230 nan 0.000 0.434 184 M N -1.000 118.581 119.600 -0.031 0.000 2.081 184 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 184 M C 2.129 178.502 176.300 0.122 0.000 1.075 184 M CA 1.519 56.798 55.300 -0.035 0.000 1.133 184 M CB -0.537 31.713 32.600 -0.583 0.000 1.330 184 M HN 0.218 nan 8.290 nan 0.000 0.414 185 N N 0.970 119.755 118.700 0.142 0.000 2.091 185 N HA -0.227 4.513 4.740 -0.000 0.000 0.193 185 N C 1.385 176.944 175.510 0.082 0.000 1.021 185 N CA 1.955 55.104 53.050 0.166 0.000 0.862 185 N CB -0.816 37.745 38.487 0.124 0.000 1.018 185 N HN 0.410 nan 8.380 nan 0.000 0.429 186 N N 0.802 119.570 118.700 0.113 0.000 2.149 186 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 186 N C 1.524 177.067 175.510 0.057 0.000 1.019 186 N CA 1.622 54.713 53.050 0.070 0.000 0.857 186 N CB -0.209 38.344 38.487 0.110 0.000 0.997 186 N HN 0.208 nan 8.380 nan 0.000 0.426 187 A N 0.311 123.174 122.820 0.071 0.000 2.015 187 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 187 A C 2.046 179.581 177.584 -0.081 0.000 1.163 187 A CA 0.840 52.912 52.037 0.059 0.000 0.646 187 A CB -0.520 18.549 19.000 0.115 0.000 0.806 187 A HN 0.360 nan 8.150 nan 0.000 0.448 188 I N -0.219 120.223 120.570 -0.213 0.000 2.179 188 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 188 I C 2.526 178.679 176.117 0.060 0.000 1.088 188 I CA 1.098 62.223 61.300 -0.292 0.000 1.357 188 I CB -1.412 36.481 38.000 -0.179 0.000 1.051 188 I HN 0.141 nan 8.210 nan 0.000 0.409 189 V N 0.824 120.785 119.914 0.079 0.000 2.223 189 V HA -0.280 3.840 4.120 -0.000 0.000 0.244 189 V C 2.444 178.685 176.094 0.244 0.000 1.045 189 V CA 1.807 64.209 62.300 0.170 0.000 1.000 189 V CB -0.733 31.132 31.823 0.070 0.000 0.635 189 V HN 0.387 nan 8.190 nan 0.000 0.445 190 E N -0.909 119.389 120.200 0.165 0.000 2.253 190 E HA -0.325 4.025 4.350 -0.000 0.000 0.202 190 E C 2.153 178.872 176.600 0.198 0.000 1.014 190 E CA 1.689 58.181 56.400 0.153 0.000 0.823 190 E CB -0.227 29.547 29.700 0.123 0.000 0.736 190 E HN 0.719 nan 8.360 nan 0.000 0.478 191 H N -0.546 118.638 119.070 0.190 0.000 2.343 191 H HA -0.141 4.415 4.556 -0.000 0.000 0.303 191 H C 1.999 177.440 175.328 0.189 0.000 1.068 191 H CA 1.528 57.704 56.048 0.212 0.000 1.359 191 H CB -0.357 29.620 29.762 0.358 0.000 1.402 191 H HN 0.246 nan 8.280 nan 0.000 0.515 192 Y N 1.730 122.178 120.300 0.247 0.000 2.193 192 Y HA -0.211 4.339 4.550 -0.000 0.000 0.285 192 Y C 2.570 178.485 175.900 0.026 0.000 1.166 192 Y CA 1.566 59.755 58.100 0.148 0.000 1.181 192 Y CB -0.656 37.910 38.460 0.177 0.000 0.976 192 Y HN 0.162 nan 8.280 nan 0.000 0.520 193 L N 0.311 121.567 121.223 0.055 0.000 2.191 193 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 193 L C 2.353 179.137 176.870 -0.144 0.000 1.103 193 L CA 1.855 56.655 54.840 -0.066 0.000 0.769 193 L CB -0.423 41.666 42.059 0.049 0.000 0.908 193 L HN 0.230 nan 8.230 nan 0.000 0.438 194 K N -1.231 119.073 120.400 -0.159 0.000 2.353 194 K HA 0.066 4.386 4.320 -0.000 0.000 0.195 194 K C 1.194 177.650 176.600 -0.240 0.000 1.031 194 K CA 0.183 56.365 56.287 -0.174 0.000 1.079 194 K CB 0.820 33.239 32.500 -0.135 0.000 0.857 194 K HN 0.047 nan 8.250 nan 0.000 0.535 195 V N -1.585 118.133 119.914 -0.326 0.000 3.219 195 V HA 0.103 4.223 4.120 -0.000 0.000 0.214 195 V C 1.794 177.744 176.094 -0.241 0.000 1.433 195 V CA 0.695 62.827 62.300 -0.281 0.000 1.301 195 V CB 0.198 31.808 31.823 -0.354 0.000 1.160 195 V HN 0.372 nan 8.190 nan 0.000 0.505 196 G N 2.500 111.144 108.800 -0.260 0.000 2.900 196 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.212 196 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.212 196 G C 1.467 176.129 174.900 -0.396 0.000 1.359 196 G CA 2.022 46.980 45.100 -0.238 0.000 0.800 196 G HN 0.611 nan 8.290 nan 0.000 0.680 197 R N 0.040 120.003 120.500 -0.894 0.000 2.133 197 R HA -0.207 4.133 4.340 -0.000 0.000 0.245 197 R C 1.947 178.109 176.300 -0.230 0.000 1.137 197 R CA 2.024 57.846 56.100 -0.463 0.000 0.947 197 R CB -0.900 29.115 30.300 -0.475 0.000 0.865 197 R HN 0.444 nan 8.270 nan 0.000 0.437 198 Q N 0.884 120.545 119.800 -0.232 0.000 2.336 198 Q HA 0.082 4.422 4.340 -0.000 0.000 0.231 198 Q C -0.539 175.395 176.000 -0.111 0.000 0.900 198 Q CA 0.438 56.156 55.803 -0.143 0.000 0.966 198 Q CB 0.093 28.752 28.738 -0.133 0.000 1.219 198 Q HN 0.444 nan 8.270 nan 0.000 0.412 199 N N -1.350 117.290 118.700 -0.101 0.000 2.278 199 N HA 0.150 4.890 4.740 -0.000 0.000 0.239 199 N C -0.129 175.347 175.510 -0.057 0.000 1.411 199 N CA 0.530 53.537 53.050 -0.072 0.000 0.908 199 N CB 1.081 39.525 38.487 -0.073 0.000 1.307 199 N HN 0.295 nan 8.380 nan 0.000 0.522 200 G N 0.153 108.923 108.800 -0.050 0.000 3.299 200 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 200 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 200 G C -0.130 174.772 174.900 0.004 0.000 1.741 200 G CA -0.281 44.803 45.100 -0.028 0.000 1.151 200 G HN 0.939 nan 8.290 nan 0.000 0.561 201 V N 3.019 122.943 119.914 0.016 0.000 3.383 201 V HA -0.084 4.036 4.120 -0.000 0.000 0.276 201 V C 1.060 177.274 176.094 0.199 0.000 1.512 201 V CA 1.862 64.213 62.300 0.085 0.000 1.498 201 V CB -0.888 31.005 31.823 0.117 0.000 0.827 201 V HN 0.996 nan 8.190 nan 0.000 0.372 202 L N 5.466 126.760 121.223 0.117 0.000 2.490 202 L HA 0.470 4.810 4.340 -0.000 0.000 0.245 202 L C 1.444 178.328 176.870 0.024 0.000 1.185 202 L CA -0.489 54.413 54.840 0.103 0.000 0.813 202 L CB 0.022 42.093 42.059 0.021 0.000 1.233 202 L HN 0.581 nan 8.230 nan 0.000 0.489 203 E N 0.054 120.190 120.200 -0.108 0.000 2.072 203 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 203 E C 2.106 178.590 176.600 -0.193 0.000 0.982 203 E CA 1.157 57.345 56.400 -0.354 0.000 0.803 203 E CB -0.047 29.316 29.700 -0.562 0.000 0.755 203 E HN 0.627 nan 8.360 nan 0.000 0.453 204 S N 1.667 117.306 115.700 -0.102 0.000 2.413 204 S HA -0.167 4.303 4.470 -0.000 0.000 0.237 204 S C 1.063 175.679 174.600 0.026 0.000 1.044 204 S CA 1.677 59.870 58.200 -0.013 0.000 1.024 204 S CB -0.309 62.888 63.200 -0.006 0.000 0.829 204 S HN 0.424 nan 8.310 nan 0.000 0.475 205 D N 0.130 120.533 120.400 0.005 0.000 3.008 205 D HA 0.202 4.842 4.640 -0.000 0.000 0.312 205 D C -0.382 175.944 176.300 0.043 0.000 1.361 205 D CA -0.284 53.737 54.000 0.036 0.000 0.858 205 D CB -0.603 40.205 40.800 0.013 0.000 1.098 205 D HN 0.266 nan 8.370 nan 0.000 0.482 206 I N 1.065 121.652 120.570 0.027 0.000 2.379 206 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 206 I C 1.096 177.239 176.117 0.043 0.000 1.063 206 I CA -0.448 60.847 61.300 -0.007 0.000 1.351 206 I CB 1.293 39.257 38.000 -0.060 0.000 1.410 206 I HN 0.103 nan 8.210 nan 0.000 0.505 207 G N 4.911 113.746 108.800 0.058 0.000 2.353 207 G HA2 0.484 4.444 3.960 -0.000 0.000 0.284 207 G HA3 0.484 4.444 3.960 -0.000 0.000 0.284 207 G C -0.373 174.502 174.900 -0.042 0.000 1.172 207 G CA -0.259 44.862 45.100 0.036 0.000 0.854 207 G HN 0.523 nan 8.290 nan 0.000 0.485 208 V N 1.201 121.049 119.914 -0.110 0.000 3.284 208 V HA -0.116 4.004 4.120 -0.000 0.000 0.470 208 V C -0.192 175.718 176.094 -0.306 0.000 0.682 208 V CA 0.698 62.866 62.300 -0.219 0.000 2.009 208 V CB -0.945 30.770 31.823 -0.181 0.000 2.467 208 V HN 1.170 nan 8.190 nan 0.000 0.498 209 K N 5.459 125.609 120.400 -0.417 0.000 2.550 209 K HA 0.588 4.908 4.320 -0.000 0.000 0.252 209 K C -1.288 175.080 176.600 -0.388 0.000 0.943 209 K CA -0.748 55.328 56.287 -0.350 0.000 0.806 209 K CB 1.397 33.765 32.500 -0.220 0.000 1.289 209 K HN 0.338 nan 8.250 nan 0.000 0.435 210 F N 2.968 122.882 119.950 -0.060 0.000 2.420 210 F HA 0.293 4.820 4.527 -0.000 0.000 0.352 210 F C 0.981 176.753 175.800 -0.047 0.000 1.108 210 F CA -0.132 57.835 58.000 -0.056 0.000 1.162 210 F CB 0.814 39.755 39.000 -0.100 0.000 1.118 210 F HN 0.461 nan 8.300 nan 0.000 0.510 211 D N 0.488 120.968 120.400 0.134 0.000 2.758 211 D HA 0.411 5.051 4.640 -0.000 0.000 0.262 211 D C -0.136 176.200 176.300 0.059 0.000 1.113 211 D CA -0.277 53.783 54.000 0.101 0.000 1.114 211 D CB 2.318 43.236 40.800 0.197 0.000 1.363 211 D HN 0.524 nan 8.370 nan 0.000 0.617 212 T N -2.030 112.522 114.554 -0.005 0.000 3.855 212 T HA 0.279 4.629 4.350 -0.000 0.000 0.313 212 T C -0.010 174.608 174.700 -0.136 0.000 0.938 212 T CA -0.623 61.439 62.100 -0.063 0.000 1.011 212 T CB -0.023 68.800 68.868 -0.075 0.000 1.188 212 T HN 0.543 nan 8.240 nan 0.000 0.477 213 R N 0.113 120.463 120.500 -0.250 0.000 2.888 213 R HA 0.541 4.881 4.340 -0.000 0.000 0.264 213 R C -0.926 175.043 176.300 -0.551 0.000 1.045 213 R CA -1.016 54.812 56.100 -0.454 0.000 0.962 213 R CB 0.904 30.858 30.300 -0.578 0.000 1.210 213 R HN 0.127 nan 8.270 nan 0.000 0.479 214 N N 1.123 119.447 118.700 -0.627 0.000 3.034 214 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 214 N C -1.016 174.304 175.510 -0.317 0.000 1.166 214 N CA -0.529 52.302 53.050 -0.366 0.000 1.081 214 N CB 0.123 38.362 38.487 -0.413 0.000 1.378 214 N HN 0.343 nan 8.380 nan 0.000 0.520 215 F N 2.276 122.103 119.950 -0.204 0.000 2.616 215 F HA 0.036 4.563 4.527 -0.000 0.000 0.331 215 F C 1.549 177.241 175.800 -0.181 0.000 1.309 215 F CA 0.108 57.953 58.000 -0.259 0.000 1.068 215 F CB 0.016 38.713 39.000 -0.505 0.000 1.464 215 F HN 0.569 nan 8.300 nan 0.000 0.667 216 R N 0.716 121.224 120.500 0.013 0.000 2.475 216 R HA 0.056 4.396 4.340 -0.000 0.000 0.050 216 R C 0.559 176.853 176.300 -0.010 0.000 0.505 216 R CA 0.085 56.139 56.100 -0.077 0.000 0.784 216 R CB -0.793 29.215 30.300 -0.486 0.000 0.896 216 R HN 0.555 nan 8.270 nan 0.000 0.567 217 L N -0.773 120.454 121.223 0.007 0.000 2.044 217 L HA 0.139 4.479 4.340 -0.000 0.000 0.205 217 L C 2.258 179.188 176.870 0.100 0.000 1.075 217 L CA 1.837 56.693 54.840 0.027 0.000 0.747 217 L CB -0.363 41.663 42.059 -0.054 0.000 0.903 217 L HN 0.430 nan 8.230 nan 0.000 0.435 218 G N -0.131 108.738 108.800 0.115 0.000 2.418 218 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 218 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 218 G C 0.638 175.623 174.900 0.141 0.000 1.158 218 G CA -0.219 44.942 45.100 0.102 0.000 0.771 218 G HN 0.182 nan 8.290 nan 0.000 0.545 219 F N 1.799 121.774 119.950 0.041 0.000 2.295 219 F HA -0.107 4.420 4.527 -0.000 0.000 0.410 219 F C 0.260 176.082 175.800 0.038 0.000 0.891 219 F CA 0.412 58.441 58.000 0.048 0.000 1.125 219 F CB 0.435 39.458 39.000 0.040 0.000 0.860 219 F HN 0.088 nan 8.300 nan 0.000 0.551 220 D N 8.740 128.769 120.400 -0.617 0.000 2.425 220 D HA 0.224 4.864 4.640 -0.000 0.000 0.240 220 D C -1.680 174.248 176.300 -0.620 0.000 1.080 220 D CA -1.771 51.985 54.000 -0.408 0.000 0.836 220 D CB 1.952 42.580 40.800 -0.286 0.000 1.125 220 D HN 0.240 nan 8.370 nan 0.000 0.525 221 P HA -0.139 nan 4.420 nan 0.000 0.222 221 P C 1.168 178.431 177.300 -0.062 0.000 1.142 221 P CA 0.680 63.787 63.100 0.011 0.000 0.788 221 P CB 0.714 32.493 31.700 0.132 0.000 0.767 222 V N -0.502 119.334 119.914 -0.131 0.000 2.599 222 V HA -0.068 4.052 4.120 -0.000 0.000 0.237 222 V C 2.617 178.628 176.094 -0.139 0.000 1.081 222 V CA 1.903 64.146 62.300 -0.095 0.000 1.107 222 V CB -1.713 30.071 31.823 -0.066 0.000 0.808 222 V HN 0.040 nan 8.190 nan 0.000 0.486 223 T N 0.549 114.990 114.554 -0.189 0.000 2.699 223 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 223 T C 1.544 176.115 174.700 -0.215 0.000 1.036 223 T CA 2.037 64.023 62.100 -0.189 0.000 1.147 223 T CB -0.672 68.064 68.868 -0.219 0.000 0.862 223 T HN 0.981 nan 8.240 nan 0.000 0.446 224 G N 0.571 109.149 108.800 -0.370 0.000 2.136 224 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.242 224 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.242 224 G C -0.070 174.720 174.900 -0.183 0.000 0.989 224 G CA 0.052 44.981 45.100 -0.285 0.000 0.682 224 G HN 0.525 nan 8.290 nan 0.000 0.522 225 L N -0.737 120.301 121.223 -0.308 0.000 2.359 225 L HA 0.572 4.912 4.340 -0.000 0.000 0.256 225 L C 0.526 177.338 176.870 -0.097 0.000 1.026 225 L CA -1.433 53.352 54.840 -0.090 0.000 0.828 225 L CB 2.251 44.270 42.059 -0.066 0.000 1.406 225 L HN -0.148 nan 8.230 nan 0.000 0.413 226 V N 2.779 122.724 119.914 0.051 0.000 2.149 226 V HA -0.012 4.108 4.120 -0.000 0.000 0.245 226 V C 1.473 177.537 176.094 -0.050 0.000 1.349 226 V CA -0.252 62.080 62.300 0.054 0.000 1.289 226 V CB 0.082 31.959 31.823 0.091 0.000 1.401 226 V HN 0.717 nan 8.190 nan 0.000 0.501 227 M N 3.569 123.114 119.600 -0.092 0.000 2.186 227 M HA -0.210 4.270 4.480 -0.000 0.000 0.249 227 M C 0.013 176.244 176.300 -0.115 0.000 1.081 227 M CA 2.279 57.497 55.300 -0.138 0.000 1.072 227 M CB -2.439 30.071 32.600 -0.150 0.000 1.318 227 M HN 0.367 nan 8.290 nan 0.000 0.405 228 P HA -0.033 nan 4.420 nan 0.000 0.222 228 P C 0.911 178.178 177.300 -0.056 0.000 1.142 228 P CA 2.124 65.194 63.100 -0.050 0.000 0.788 228 P CB -0.157 31.528 31.700 -0.024 0.000 0.767 229 G N -2.451 106.298 108.800 -0.085 0.000 2.162 229 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 229 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 229 G C 0.075 174.912 174.900 -0.105 0.000 0.976 229 G CA 0.046 45.096 45.100 -0.084 0.000 0.655 229 G HN 0.386 nan 8.290 nan 0.000 0.533 230 V N -0.302 119.533 119.914 -0.132 0.000 2.851 230 V HA 0.437 4.557 4.120 -0.000 0.000 0.307 230 V C -0.440 175.572 176.094 -0.135 0.000 1.129 230 V CA -1.383 60.843 62.300 -0.123 0.000 0.932 230 V CB 1.815 33.626 31.823 -0.019 0.000 1.024 230 V HN 0.248 nan 8.190 nan 0.000 0.426 231 Y N 1.968 122.313 120.300 0.075 0.000 2.637 231 Y HA 0.136 4.686 4.550 -0.000 0.000 0.350 231 Y C 1.452 177.305 175.900 -0.079 0.000 1.069 231 Y CA 0.260 58.367 58.100 0.012 0.000 1.397 231 Y CB 0.919 39.407 38.460 0.046 0.000 1.163 231 Y HN 0.698 nan 8.280 nan 0.000 0.527 232 T N 3.687 118.271 114.554 0.051 0.000 2.609 232 T HA -0.197 4.153 4.350 -0.000 0.000 0.257 232 T C 0.880 175.541 174.700 -0.064 0.000 1.032 232 T CA -0.060 62.033 62.100 -0.011 0.000 1.244 232 T CB -0.445 68.408 68.868 -0.025 0.000 1.003 232 T HN 0.604 nan 8.240 nan 0.000 0.507 233 N N 4.965 123.654 118.700 -0.019 0.000 2.938 233 N HA 0.036 4.776 4.740 -0.000 0.000 0.286 233 N C -0.073 175.432 175.510 -0.007 0.000 1.316 233 N CA 0.247 53.282 53.050 -0.024 0.000 1.063 233 N CB -0.151 38.347 38.487 0.017 0.000 1.388 233 N HN 0.737 nan 8.380 nan 0.000 0.545 234 E N -0.738 119.452 120.200 -0.017 0.000 2.212 234 E HA 0.594 4.944 4.350 -0.000 0.000 0.268 234 E C -1.076 175.615 176.600 0.151 0.000 0.902 234 E CA -1.030 55.437 56.400 0.110 0.000 0.779 234 E CB 1.470 31.333 29.700 0.272 0.000 1.172 234 E HN 0.293 nan 8.360 nan 0.000 0.409 235 A N 3.174 126.111 122.820 0.195 0.000 2.320 235 A HA 0.366 4.686 4.320 -0.000 0.000 0.287 235 A C -0.632 177.183 177.584 0.385 0.000 1.181 235 A CA -0.071 52.074 52.037 0.180 0.000 0.831 235 A CB -0.001 19.018 19.000 0.031 0.000 1.102 235 A HN 0.619 nan 8.150 nan 0.000 0.513 236 F N 0.000 119.856 119.950 -0.156 0.000 2.577 236 F HA 0.278 4.804 4.527 -0.000 0.000 0.276 236 F C 0.768 176.522 175.800 -0.076 0.000 1.032 236 F CA 0.970 58.890 58.000 -0.133 0.000 1.297 236 F CB -0.108 38.766 39.000 -0.209 0.000 1.061 236 F HN 0.763 nan 8.300 nan 0.000 0.680 237 H N -1.677 117.337 119.070 -0.095 0.000 3.081 237 H HA 0.360 4.916 4.556 -0.000 0.000 0.322 237 H C -3.062 172.225 175.328 -0.067 0.000 1.266 237 H CA -1.628 54.371 56.048 -0.082 0.000 1.279 237 H CB 1.922 31.666 29.762 -0.031 0.000 1.954 237 H HN -0.291 nan 8.280 nan 0.000 0.530 238 P HA 0.201 nan 4.420 nan 0.000 0.271 238 P C -1.111 176.214 177.300 0.041 0.000 1.218 238 P CA 0.145 63.087 63.100 -0.263 0.000 0.780 238 P CB 0.677 32.157 31.700 -0.367 0.000 0.901 239 D N 1.389 121.886 120.400 0.161 0.000 2.615 239 D HA 0.350 4.990 4.640 -0.000 0.000 0.267 239 D C -1.173 175.264 176.300 0.227 0.000 1.236 239 D CA -0.642 53.568 54.000 0.350 0.000 0.839 239 D CB 1.254 42.409 40.800 0.592 0.000 1.380 239 D HN 0.279 nan 8.370 nan 0.000 0.433 240 I N -1.788 118.909 120.570 0.211 0.000 2.465 240 I HA 0.599 4.769 4.170 -0.000 0.000 0.291 240 I C -0.858 175.268 176.117 0.015 0.000 1.014 240 I CA -1.140 60.176 61.300 0.026 0.000 1.093 240 I CB 1.695 39.673 38.000 -0.037 0.000 1.267 240 I HN 0.271 nan 8.210 nan 0.000 0.431 241 I N 6.377 126.870 120.570 -0.127 0.000 2.437 241 I HA 0.512 4.682 4.170 -0.000 0.000 0.298 241 I C -0.397 175.632 176.117 -0.146 0.000 0.984 241 I CA -0.682 60.526 61.300 -0.154 0.000 1.214 241 I CB 1.836 39.638 38.000 -0.329 0.000 1.365 241 I HN 0.478 nan 8.210 nan 0.000 0.469 242 L N 5.892 127.111 121.223 -0.006 0.000 2.371 242 L HA 0.587 4.927 4.340 -0.000 0.000 0.262 242 L C -0.669 176.338 176.870 0.228 0.000 1.006 242 L CA -0.741 54.155 54.840 0.094 0.000 0.818 242 L CB 2.411 44.600 42.059 0.216 0.000 1.354 242 L HN 0.440 nan 8.230 nan 0.000 0.415 243 L N 1.523 122.781 121.223 0.059 0.000 2.358 243 L HA 0.537 4.877 4.340 -0.000 0.000 0.268 243 L C -2.168 174.225 176.870 -0.795 0.000 1.032 243 L CA -1.823 52.968 54.840 -0.083 0.000 0.805 243 L CB 2.147 44.235 42.059 0.048 0.000 1.253 243 L HN 0.267 nan 8.230 nan 0.000 0.452 244 P HA -0.007 nan 4.420 nan 0.000 0.267 244 P C 0.560 177.339 177.300 -0.869 0.000 1.201 244 P CA 0.899 63.119 63.100 -1.466 0.000 0.775 244 P CB 0.445 31.789 31.700 -0.593 0.000 0.854 245 G N -0.056 108.307 108.800 -0.727 0.000 2.322 245 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 245 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 245 G C 0.532 174.890 174.900 -0.903 0.000 0.992 245 G CA 0.659 45.246 45.100 -0.855 0.000 0.624 245 G HN 0.850 nan 8.290 nan 0.000 0.543 246 C N -1.611 117.311 119.300 -0.630 0.000 2.651 246 C HA 1.109 5.569 4.460 -0.000 0.000 0.416 246 C C 1.072 175.934 174.990 -0.213 0.000 1.818 246 C CA 0.012 58.776 59.018 -0.424 0.000 1.790 246 C CB 1.255 28.856 27.740 -0.231 0.000 2.048 246 C HN 2.247 nan 8.230 nan 0.000 0.470 247 G N -1.371 107.319 108.800 -0.184 0.000 2.324 247 G HA2 0.580 4.540 3.960 -0.000 0.000 0.293 247 G HA3 0.580 4.540 3.960 -0.000 0.000 0.293 247 G C -1.261 173.681 174.900 0.069 0.000 1.297 247 G CA 0.191 45.284 45.100 -0.011 0.000 0.853 247 G HN 2.187 nan 8.290 nan 0.000 0.535 248 V N -2.288 117.763 119.914 0.228 0.000 3.001 248 V HA 0.930 5.050 4.120 -0.000 0.000 0.314 248 V C -1.301 174.973 176.094 0.301 0.000 1.099 248 V CA -0.683 61.786 62.300 0.282 0.000 0.989 248 V CB 2.197 34.111 31.823 0.150 0.000 1.040 248 V HN 1.053 nan 8.190 nan 0.000 0.434 249 D N 1.127 121.578 120.400 0.086 0.000 2.863 249 D HA 0.448 5.088 4.640 -0.000 0.000 0.245 249 D C -0.932 175.187 176.300 -0.302 0.000 1.211 249 D CA -0.408 53.571 54.000 -0.036 0.000 0.888 249 D CB 2.052 42.729 40.800 -0.205 0.000 1.483 249 D HN 0.481 nan 8.370 nan 0.000 0.533 250 F N 1.429 121.377 119.950 -0.003 0.000 2.682 250 F HA 0.099 4.626 4.527 -0.000 0.000 0.308 250 F C 2.323 178.093 175.800 -0.051 0.000 1.093 250 F CA -0.230 57.730 58.000 -0.067 0.000 1.244 250 F CB 0.536 39.350 39.000 -0.310 0.000 1.052 250 F HN 0.322 nan 8.300 nan 0.000 0.573 251 T N -0.849 113.742 114.554 0.061 0.000 2.771 251 T HA -0.282 4.068 4.350 -0.000 0.000 0.262 251 T C 0.732 175.292 174.700 -0.233 0.000 1.027 251 T CA 1.846 63.873 62.100 -0.122 0.000 1.159 251 T CB -0.437 68.210 68.868 -0.368 0.000 0.844 251 T HN 0.283 nan 8.240 nan 0.000 0.478 252 H N 0.030 119.089 119.070 -0.017 0.000 2.429 252 H HA 0.661 5.217 4.556 -0.000 0.000 0.237 252 H C -0.331 174.936 175.328 -0.102 0.000 1.378 252 H CA -0.288 55.683 56.048 -0.129 0.000 1.170 252 H CB 0.339 29.952 29.762 -0.249 0.000 1.671 252 H HN 0.194 nan 8.280 nan 0.000 0.541 253 S N 0.279 116.064 115.700 0.141 0.000 2.556 253 S HA 0.283 4.753 4.470 -0.000 0.000 0.280 253 S C 0.352 175.042 174.600 0.149 0.000 1.141 253 S CA -0.729 57.578 58.200 0.179 0.000 0.883 253 S CB 1.264 64.626 63.200 0.269 0.000 1.103 253 S HN 0.465 nan 8.310 nan 0.000 0.453 254 R N 2.676 123.242 120.500 0.110 0.000 2.297 254 R HA 0.284 4.624 4.340 -0.000 0.000 0.197 254 R C 1.551 177.795 176.300 -0.093 0.000 0.943 254 R CA 0.287 56.394 56.100 0.011 0.000 1.038 254 R CB -0.226 30.084 30.300 0.016 0.000 0.957 254 R HN 0.624 nan 8.270 nan 0.000 0.484 255 L N 0.494 121.677 121.223 -0.065 0.000 2.189 255 L HA -0.265 4.075 4.340 -0.000 0.000 0.214 255 L C 2.584 179.183 176.870 -0.452 0.000 1.097 255 L CA 1.387 56.112 54.840 -0.191 0.000 0.764 255 L CB -0.579 41.418 42.059 -0.102 0.000 0.900 255 L HN 0.259 nan 8.230 nan 0.000 0.436 256 S N 0.652 115.943 115.700 -0.682 0.000 2.368 256 S HA -0.290 4.180 4.470 -0.000 0.000 0.226 256 S C 1.887 176.121 174.600 -0.611 0.000 1.044 256 S CA 2.018 59.539 58.200 -1.132 0.000 1.062 256 S CB -0.375 62.196 63.200 -1.048 0.000 0.931 256 S HN 0.491 nan 8.310 nan 0.000 0.440 257 N N 1.089 119.575 118.700 -0.358 0.000 2.348 257 N HA -0.088 4.652 4.740 -0.000 0.000 0.185 257 N C 1.597 176.972 175.510 -0.225 0.000 1.019 257 N CA 1.216 54.130 53.050 -0.226 0.000 0.880 257 N CB -0.525 37.880 38.487 -0.137 0.000 0.965 257 N HN 0.466 nan 8.380 nan 0.000 0.437 258 L N 0.843 121.902 121.223 -0.273 0.000 2.131 258 L HA 0.053 4.393 4.340 -0.000 0.000 0.206 258 L C 1.956 178.653 176.870 -0.288 0.000 1.087 258 L CA 1.074 55.766 54.840 -0.248 0.000 0.767 258 L CB -0.281 41.624 42.059 -0.256 0.000 0.917 258 L HN 0.055 nan 8.230 nan 0.000 0.441 259 L N -0.197 120.800 121.223 -0.377 0.000 2.291 259 L HA 0.126 4.466 4.340 -0.000 0.000 0.214 259 L C 1.361 178.031 176.870 -0.334 0.000 1.120 259 L CA 0.686 55.294 54.840 -0.386 0.000 0.799 259 L CB -0.852 40.938 42.059 -0.447 0.000 0.925 259 L HN 0.551 nan 8.230 nan 0.000 0.446 260 G N 1.235 109.883 108.800 -0.252 0.000 2.248 260 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 260 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 260 G C -0.146 174.716 174.900 -0.063 0.000 1.085 260 G CA -0.302 44.750 45.100 -0.079 0.000 0.845 260 G HN 0.279 nan 8.290 nan 0.000 0.494 261 I N 0.227 120.640 120.570 -0.262 0.000 2.468 261 I HA 0.485 4.655 4.170 -0.000 0.000 0.284 261 I C 0.352 176.406 176.117 -0.105 0.000 1.038 261 I CA -0.784 60.308 61.300 -0.347 0.000 1.083 261 I CB 1.482 39.023 38.000 -0.765 0.000 1.223 261 I HN 0.109 nan 8.210 nan 0.000 0.443 262 R N 4.485 124.993 120.500 0.012 0.000 2.888 262 R HA 0.589 4.929 4.340 -0.000 0.000 0.266 262 R C -0.819 175.457 176.300 -0.040 0.000 1.020 262 R CA -1.194 54.969 56.100 0.105 0.000 0.963 262 R CB 2.404 32.716 30.300 0.020 0.000 1.197 262 R HN 0.399 nan 8.270 nan 0.000 0.481 263 K N 1.257 121.548 120.400 -0.182 0.000 2.270 263 K HA 0.166 4.486 4.320 -0.000 0.000 0.276 263 K C 0.761 177.310 176.600 -0.086 0.000 1.023 263 K CA -0.126 56.006 56.287 -0.258 0.000 0.955 263 K CB 1.012 33.328 32.500 -0.305 0.000 0.975 263 K HN 0.360 nan 8.250 nan 0.000 0.471 264 R N 1.311 121.804 120.500 -0.012 0.000 2.323 264 R HA -0.062 4.278 4.340 -0.000 0.000 0.198 264 R C 0.155 176.471 176.300 0.027 0.000 0.988 264 R CA 0.905 57.020 56.100 0.026 0.000 1.041 264 R CB 0.209 30.549 30.300 0.068 0.000 0.926 264 R HN 0.509 nan 8.270 nan 0.000 0.476 265 Q N -0.992 118.816 119.800 0.013 0.000 3.394 265 Q HA 0.156 4.496 4.340 -0.000 0.000 0.285 265 Q C -2.280 173.691 176.000 -0.048 0.000 0.866 265 Q CA -1.508 54.309 55.803 0.023 0.000 0.844 265 Q CB 1.689 30.471 28.738 0.073 0.000 1.472 265 Q HN -0.029 nan 8.270 nan 0.000 0.401 266 P HA -0.245 nan 4.420 nan 0.000 0.221 266 P C 0.582 177.688 177.300 -0.324 0.000 1.160 266 P CA 1.727 64.612 63.100 -0.358 0.000 0.933 266 P CB 0.051 31.354 31.700 -0.662 0.000 0.793 267 F N -1.068 118.903 119.950 0.035 0.000 2.494 267 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 267 F C 1.310 177.127 175.800 0.028 0.000 1.106 267 F CA 0.653 58.674 58.000 0.035 0.000 1.452 267 F CB -1.225 37.794 39.000 0.031 0.000 1.085 267 F HN -0.014 nan 8.300 nan 0.000 0.569 268 Q N 2.420 122.298 119.800 0.130 0.000 2.837 268 Q HA 0.041 4.381 4.340 -0.000 0.000 0.235 268 Q C 0.006 176.036 176.000 0.050 0.000 1.348 268 Q CA -0.266 55.586 55.803 0.081 0.000 0.990 268 Q CB -0.522 28.244 28.738 0.047 0.000 1.570 268 Q HN 0.482 nan 8.270 nan 0.000 0.575 269 E N 0.586 120.826 120.200 0.067 0.000 3.025 269 E HA -0.003 4.347 4.350 -0.000 0.000 0.248 269 E C 0.185 176.799 176.600 0.023 0.000 0.938 269 E CA 0.491 56.921 56.400 0.050 0.000 0.958 269 E CB -0.082 29.651 29.700 0.054 0.000 0.898 269 E HN 0.612 nan 8.360 nan 0.000 0.537 270 G N 4.062 112.884 108.800 0.038 0.000 2.823 270 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.235 270 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.235 270 G C -0.982 174.001 174.900 0.138 0.000 3.696 270 G CA -0.927 44.197 45.100 0.038 0.000 0.652 270 G HN 0.539 nan 8.290 nan 0.000 0.431 271 F N 2.673 122.666 119.950 0.072 0.000 2.377 271 F HA 0.579 5.106 4.527 -0.000 0.000 0.360 271 F C 0.809 176.730 175.800 0.202 0.000 1.147 271 F CA -0.670 57.438 58.000 0.181 0.000 1.170 271 F CB 0.394 39.500 39.000 0.176 0.000 1.339 271 F HN 0.084 nan 8.300 nan 0.000 0.552 272 R N 6.204 127.042 120.500 0.563 0.000 2.451 272 R HA 0.445 4.785 4.340 -0.000 0.000 0.307 272 R C -1.185 175.457 176.300 0.569 0.000 0.965 272 R CA -0.803 55.561 56.100 0.440 0.000 0.865 272 R CB 2.320 32.764 30.300 0.241 0.000 1.174 272 R HN 0.636 nan 8.270 nan 0.000 0.455 273 I N 3.176 124.072 120.570 0.543 0.000 2.428 273 I HA 0.208 4.378 4.170 -0.000 0.000 0.279 273 I C -0.406 175.939 176.117 0.381 0.000 1.040 273 I CA -0.107 61.503 61.300 0.516 0.000 1.171 273 I CB 1.398 39.682 38.000 0.474 0.000 1.312 273 I HN 0.520 nan 8.210 nan 0.000 0.470 274 T N 5.469 120.229 114.554 0.344 0.000 2.828 274 T HA 0.010 4.360 4.350 -0.000 0.000 0.290 274 T C 0.687 175.523 174.700 0.227 0.000 1.019 274 T CA 0.057 62.309 62.100 0.253 0.000 1.031 274 T CB 0.975 69.969 68.868 0.210 0.000 1.001 274 T HN 0.550 nan 8.240 nan 0.000 0.531 275 Y N 1.300 121.629 120.300 0.048 0.000 2.145 275 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 275 Y C 2.296 178.230 175.900 0.056 0.000 1.145 275 Y CA 1.822 59.940 58.100 0.029 0.000 1.148 275 Y CB -0.294 38.141 38.460 -0.042 0.000 0.981 275 Y HN 0.732 nan 8.280 nan 0.000 0.507 276 D N 0.118 120.588 120.400 0.116 0.000 2.203 276 D HA -0.214 4.426 4.640 -0.000 0.000 0.199 276 D C 1.449 177.751 176.300 0.003 0.000 0.997 276 D CA 1.743 55.759 54.000 0.026 0.000 0.863 276 D CB -0.106 40.748 40.800 0.090 0.000 0.928 276 D HN 0.551 nan 8.370 nan 0.000 0.458 277 D N 0.215 120.671 120.400 0.094 0.000 2.117 277 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 277 D C 1.256 177.633 176.300 0.129 0.000 0.982 277 D CA 0.230 54.338 54.000 0.180 0.000 0.828 277 D CB -0.044 40.977 40.800 0.369 0.000 0.967 277 D HN 0.295 nan 8.370 nan 0.000 0.464 278 L N 2.237 123.492 121.223 0.053 0.000 2.869 278 L HA 0.033 4.373 4.340 -0.000 0.000 0.240 278 L C 0.971 177.766 176.870 -0.125 0.000 1.448 278 L CA -0.241 54.593 54.840 -0.010 0.000 1.158 278 L CB -0.826 41.214 42.059 -0.032 0.000 1.497 278 L HN -0.048 nan 8.230 nan 0.000 0.447 279 E N 1.001 121.158 120.200 -0.072 0.000 2.683 279 E HA 0.135 4.485 4.350 -0.000 0.000 0.266 279 E C 0.895 177.429 176.600 -0.111 0.000 1.434 279 E CA 0.528 56.872 56.400 -0.093 0.000 1.137 279 E CB 0.332 30.010 29.700 -0.036 0.000 0.992 279 E HN 0.417 nan 8.360 nan 0.000 0.607 280 G N -0.567 108.177 108.800 -0.094 0.000 2.903 280 G HA2 0.102 4.062 3.960 -0.000 0.000 0.332 280 G HA3 0.102 4.062 3.960 -0.000 0.000 0.332 280 G C 0.512 175.312 174.900 -0.168 0.000 0.190 280 G CA 0.699 45.732 45.100 -0.112 0.000 1.231 280 G HN 1.084 nan 8.290 nan 0.000 0.363 281 G N 2.109 110.753 108.800 -0.261 0.000 2.678 281 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.175 281 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.175 281 G C -0.314 174.408 174.900 -0.297 0.000 1.078 281 G CA -0.203 44.723 45.100 -0.290 0.000 0.864 281 G HN 0.970 nan 8.290 nan 0.000 0.521 282 N N 0.887 119.342 118.700 -0.407 0.000 2.430 282 N HA 0.419 5.159 4.740 -0.000 0.000 0.292 282 N C 0.836 176.146 175.510 -0.332 0.000 1.051 282 N CA -0.582 52.295 53.050 -0.287 0.000 0.917 282 N CB 1.726 40.081 38.487 -0.219 0.000 1.164 282 N HN 0.316 nan 8.380 nan 0.000 0.484 283 I N 2.569 123.005 120.570 -0.224 0.000 2.828 283 I HA -0.076 4.094 4.170 -0.000 0.000 0.292 283 I C -1.807 174.299 176.117 -0.020 0.000 1.206 283 I CA -0.700 60.473 61.300 -0.212 0.000 1.420 283 I CB -0.259 37.493 38.000 -0.414 0.000 1.368 283 I HN 0.186 nan 8.210 nan 0.000 0.556 284 P HA 0.094 nan 4.420 nan 0.000 0.272 284 P C -0.554 177.031 177.300 0.475 0.000 1.254 284 P CA -0.222 63.118 63.100 0.399 0.000 0.795 284 P CB 0.602 32.632 31.700 0.549 0.000 1.022 285 A N 0.436 123.521 122.820 0.441 0.000 2.269 285 A HA 0.617 4.937 4.320 -0.000 0.000 0.327 285 A C -0.531 177.189 177.584 0.226 0.000 1.112 285 A CA -0.724 51.530 52.037 0.363 0.000 0.865 285 A CB 0.095 19.257 19.000 0.270 0.000 1.227 285 A HN 0.435 nan 8.150 nan 0.000 0.498 286 L N 0.765 122.067 121.223 0.131 0.000 2.334 286 L HA 0.350 4.690 4.340 -0.000 0.000 0.277 286 L C -0.010 176.852 176.870 -0.013 0.000 1.075 286 L CA -0.688 54.138 54.840 -0.023 0.000 0.804 286 L CB 0.998 43.012 42.059 -0.075 0.000 1.174 286 L HN 0.696 nan 8.230 nan 0.000 0.438 287 L N 2.174 123.365 121.223 -0.054 0.000 2.461 287 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 287 L C 0.512 177.356 176.870 -0.043 0.000 1.197 287 L CA 0.390 55.191 54.840 -0.066 0.000 0.836 287 L CB 0.360 42.342 42.059 -0.128 0.000 1.105 287 L HN 0.507 nan 8.230 nan 0.000 0.477 288 D N 3.808 124.196 120.400 -0.020 0.000 2.608 288 D HA -0.040 4.600 4.640 -0.000 0.000 0.224 288 D C 1.389 177.709 176.300 0.033 0.000 1.123 288 D CA 0.177 54.177 54.000 -0.001 0.000 1.030 288 D CB 0.398 41.203 40.800 0.007 0.000 1.093 288 D HN 0.569 nan 8.370 nan 0.000 0.497 289 V N 3.454 123.377 119.914 0.014 0.000 2.277 289 V HA -0.318 3.802 4.120 -0.000 0.000 0.255 289 V C 1.607 177.760 176.094 0.099 0.000 1.074 289 V CA 2.196 64.525 62.300 0.049 0.000 1.058 289 V CB -0.010 31.825 31.823 0.020 0.000 0.656 289 V HN 0.434 nan 8.190 nan 0.000 0.449 290 D N -0.155 120.279 120.400 0.056 0.000 2.078 290 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 290 D C 2.229 178.561 176.300 0.053 0.000 0.990 290 D CA 1.925 55.952 54.000 0.046 0.000 0.827 290 D CB -0.573 40.239 40.800 0.020 0.000 0.975 290 D HN 0.578 nan 8.370 nan 0.000 0.451 291 A N 0.643 123.493 122.820 0.050 0.000 1.859 291 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 291 A C 2.242 179.865 177.584 0.066 0.000 1.209 291 A CA 2.093 54.156 52.037 0.044 0.000 0.639 291 A CB -1.543 17.481 19.000 0.040 0.000 0.835 291 A HN 0.394 nan 8.150 nan 0.000 0.450 292 Y N 0.343 120.632 120.300 -0.018 0.000 1.997 292 Y HA -0.379 4.171 4.550 -0.000 0.000 0.265 292 Y C 2.611 178.503 175.900 -0.013 0.000 1.193 292 Y CA 2.768 60.858 58.100 -0.017 0.000 1.106 292 Y CB -0.730 37.719 38.460 -0.018 0.000 0.940 292 Y HN 0.488 nan 8.280 nan 0.000 0.494 293 Q N -0.325 119.482 119.800 0.011 0.000 1.975 293 Q HA -0.250 4.090 4.340 -0.000 0.000 0.205 293 Q C 2.548 178.475 176.000 -0.122 0.000 0.990 293 Q CA 1.696 57.439 55.803 -0.101 0.000 0.845 293 Q CB -0.609 28.164 28.738 0.059 0.000 0.913 293 Q HN 0.670 nan 8.270 nan 0.000 0.420 294 A N 0.432 123.220 122.820 -0.052 0.000 1.927 294 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 294 A C 2.106 179.644 177.584 -0.076 0.000 1.185 294 A CA 1.992 54.000 52.037 -0.048 0.000 0.639 294 A CB -0.891 18.095 19.000 -0.023 0.000 0.820 294 A HN 0.413 nan 8.150 nan 0.000 0.451 295 S N -1.637 114.005 115.700 -0.097 0.000 2.537 295 S HA 0.034 4.504 4.470 -0.000 0.000 0.240 295 S C 0.725 175.238 174.600 -0.145 0.000 0.981 295 S CA 0.576 58.713 58.200 -0.106 0.000 0.948 295 S CB -0.726 62.418 63.200 -0.093 0.000 0.759 295 S HN 0.386 nan 8.310 nan 0.000 0.531 376 K N 0.442 120.846 120.400 0.007 0.000 2.580 376 K HA 0.180 4.500 4.320 -0.000 0.000 0.258 376 K C -2.500 174.133 176.600 0.055 0.000 0.936 376 K CA -1.399 54.896 56.287 0.014 0.000 0.852 376 K CB 2.036 34.575 32.500 0.065 0.000 1.329 376 K HN 0.206 nan 8.250 nan 0.000 0.430 377 P HA -0.259 nan 4.420 nan 0.000 0.213 377 P C 1.337 178.690 177.300 0.089 0.000 1.170 377 P CA 1.730 64.869 63.100 0.066 0.000 0.902 377 P CB -0.008 31.731 31.700 0.065 0.000 0.789 378 V N -1.498 118.520 119.914 0.174 0.000 0.811 378 V HA -0.451 3.669 4.120 -0.000 0.000 0.097 378 V C 1.845 177.949 176.094 0.016 0.000 1.319 378 V CA 2.818 65.174 62.300 0.093 0.000 3.129 378 V CB -2.172 29.694 31.823 0.071 0.000 0.563 378 V HN 0.136 nan 8.190 nan 0.000 0.469 379 I N 0.367 120.942 120.570 0.008 0.000 2.442 379 I HA -0.261 3.909 4.170 -0.000 0.000 0.261 379 I C 1.722 177.834 176.117 -0.008 0.000 1.132 379 I CA 1.964 63.257 61.300 -0.012 0.000 1.412 379 I CB -0.773 37.221 38.000 -0.010 0.000 1.091 379 I HN 0.535 nan 8.210 nan 0.000 0.448 380 K N 3.482 123.884 120.400 0.005 0.000 2.361 380 K HA 0.065 4.385 4.320 -0.000 0.000 0.283 380 K C -2.143 174.454 176.600 -0.005 0.000 1.078 380 K CA -1.094 55.194 56.287 0.002 0.000 1.041 380 K CB 0.190 32.697 32.500 0.012 0.000 0.932 380 K HN 0.065 nan 8.250 nan 0.000 0.462 381 P HA 0.047 nan 4.420 nan 0.000 0.285 381 P C -0.500 176.795 177.300 -0.008 0.000 1.448 381 P CA -0.804 62.301 63.100 0.009 0.000 0.953 381 P CB 0.647 32.366 31.700 0.032 0.000 1.175 382 L N 4.040 125.244 121.223 -0.032 0.000 2.927 382 L HA -0.118 4.222 4.340 -0.000 0.000 0.292 382 L C 1.145 177.908 176.870 -0.178 0.000 1.088 382 L CA 1.498 56.279 54.840 -0.099 0.000 0.969 382 L CB -1.016 40.981 42.059 -0.104 0.000 1.399 382 L HN 0.335 nan 8.230 nan 0.000 0.458 383 T N 3.697 118.146 114.554 -0.175 0.000 3.043 383 T HA 0.057 4.407 4.350 -0.000 0.000 0.263 383 T C 0.732 175.235 174.700 -0.328 0.000 1.094 383 T CA 1.436 63.425 62.100 -0.184 0.000 1.127 383 T CB 0.223 69.033 68.868 -0.096 0.000 0.905 383 T HN 0.766 nan 8.240 nan 0.000 0.490 384 E N 0.166 120.119 120.200 -0.412 0.000 4.448 384 E HA 0.433 4.783 4.350 -0.000 0.000 0.159 384 E C -1.195 175.103 176.600 -0.503 0.000 1.117 384 E CA -0.707 55.444 56.400 -0.416 0.000 0.873 384 E CB 1.008 30.600 29.700 -0.181 0.000 1.896 384 E HN 0.248 nan 8.360 nan 0.000 0.412 385 D N -0.643 119.631 120.400 -0.211 0.000 2.871 385 D HA 0.070 4.710 4.640 -0.000 0.000 0.330 385 D C -0.847 175.432 176.300 -0.035 0.000 1.364 385 D CA -0.555 53.388 54.000 -0.095 0.000 0.759 385 D CB -0.329 40.485 40.800 0.024 0.000 1.325 385 D HN 0.193 nan 8.370 nan 0.000 0.452 386 S N -0.694 115.007 115.700 0.002 0.000 2.589 386 S HA 0.106 4.576 4.470 -0.000 0.000 0.256 386 S C 0.417 175.019 174.600 0.002 0.000 1.383 386 S CA 0.192 58.394 58.200 0.004 0.000 0.983 386 S CB -0.152 63.059 63.200 0.018 0.000 0.908 386 S HN 0.636 nan 8.310 nan 0.000 0.572 387 K N -0.164 120.234 120.400 -0.003 0.000 2.905 387 K HA -0.236 4.084 4.320 -0.000 0.000 0.256 387 K C -0.668 175.921 176.600 -0.018 0.000 1.008 387 K CA 0.992 57.273 56.287 -0.010 0.000 0.752 387 K CB -1.551 30.944 32.500 -0.008 0.000 1.216 387 K HN 0.596 nan 8.250 nan 0.000 0.479 388 K N 0.271 120.658 120.400 -0.022 0.000 5.029 388 K HA -0.262 4.058 4.320 -0.000 0.000 0.303 388 K C -0.530 176.054 176.600 -0.027 0.000 0.753 388 K CA 1.111 57.379 56.287 -0.033 0.000 0.889 388 K CB -0.715 31.766 32.500 -0.033 0.000 1.950 388 K HN 0.329 nan 8.250 nan 0.000 0.390 389 R N 1.006 121.501 120.500 -0.009 0.000 2.514 389 R HA 0.277 4.617 4.340 -0.000 0.000 0.301 389 R C 0.022 176.352 176.300 0.048 0.000 0.962 389 R CA -0.718 55.397 56.100 0.024 0.000 0.882 389 R CB 1.730 32.072 30.300 0.070 0.000 1.143 389 R HN 0.478 nan 8.270 nan 0.000 0.452 390 S N 1.516 117.246 115.700 0.049 0.000 2.565 390 S HA 0.172 4.642 4.470 -0.000 0.000 0.274 390 S C -0.061 174.660 174.600 0.201 0.000 1.309 390 S CA -0.563 57.666 58.200 0.049 0.000 1.043 390 S CB 0.526 63.730 63.200 0.005 0.000 0.939 390 S HN 0.565 nan 8.310 nan 0.000 0.504 391 Y N 2.009 122.280 120.300 -0.049 0.000 2.775 391 Y HA 0.297 4.847 4.550 -0.000 0.000 0.349 391 Y C 0.854 176.624 175.900 -0.217 0.000 1.094 391 Y CA -1.617 56.430 58.100 -0.089 0.000 1.467 391 Y CB -1.760 36.711 38.460 0.019 0.000 1.272 391 Y HN 0.735 nan 8.280 nan 0.000 0.515 392 N N 1.400 120.056 118.700 -0.074 0.000 2.770 392 N HA -0.240 4.500 4.740 -0.000 0.000 0.283 392 N C -0.525 174.933 175.510 -0.085 0.000 1.009 392 N CA 0.608 53.575 53.050 -0.137 0.000 0.828 392 N CB -0.507 37.803 38.487 -0.295 0.000 0.939 392 N HN 0.404 nan 8.380 nan 0.000 0.580 393 L N 1.463 122.684 121.223 -0.003 0.000 2.380 393 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 393 L C 2.404 179.294 176.870 0.034 0.000 1.138 393 L CA -0.458 54.406 54.840 0.039 0.000 0.832 393 L CB 0.677 42.770 42.059 0.056 0.000 1.124 393 L HN 0.335 nan 8.230 nan 0.000 0.454 394 I N 0.527 121.136 120.570 0.064 0.000 2.185 394 I HA -0.191 3.979 4.170 -0.000 0.000 0.246 394 I C 0.959 177.101 176.117 0.042 0.000 1.088 394 I CA 1.274 62.612 61.300 0.063 0.000 1.347 394 I CB -0.175 37.887 38.000 0.102 0.000 1.041 394 I HN 0.701 nan 8.210 nan 0.000 0.415 395 S N -0.573 115.149 115.700 0.036 0.000 2.625 395 S HA 0.359 4.829 4.470 -0.000 0.000 0.271 395 S C 0.122 174.730 174.600 0.013 0.000 1.161 395 S CA -0.788 57.424 58.200 0.021 0.000 0.820 395 S CB 1.082 64.292 63.200 0.018 0.000 1.137 395 S HN 0.254 nan 8.310 nan 0.000 0.470 396 N N 1.264 119.967 118.700 0.005 0.000 2.513 396 N HA -0.085 4.655 4.740 -0.000 0.000 0.187 396 N C 0.245 175.753 175.510 -0.003 0.000 1.056 396 N CA 1.384 54.434 53.050 0.000 0.000 0.907 396 N CB -0.355 38.130 38.487 -0.003 0.000 0.954 396 N HN 0.618 nan 8.380 nan 0.000 0.445 397 D N 0.144 120.541 120.400 -0.005 0.000 2.805 397 D HA 0.031 4.671 4.640 -0.000 0.000 0.271 397 D C 0.503 176.786 176.300 -0.027 0.000 1.166 397 D CA 0.131 54.121 54.000 -0.017 0.000 1.004 397 D CB -0.740 40.048 40.800 -0.020 0.000 1.136 397 D HN -0.173 nan 8.370 nan 0.000 0.444 398 S N 0.660 116.340 115.700 -0.033 0.000 2.593 398 S HA -0.029 4.441 4.470 -0.000 0.000 0.303 398 S C 1.538 176.115 174.600 -0.039 0.000 1.267 398 S CA 0.669 58.828 58.200 -0.068 0.000 1.047 398 S CB 0.737 63.917 63.200 -0.034 0.000 0.777 398 S HN 0.460 nan 8.310 nan 0.000 0.498 399 T N 0.871 115.356 114.554 -0.115 0.000 3.081 399 T HA 0.212 4.562 4.350 -0.000 0.000 0.255 399 T C 0.391 175.224 174.700 0.222 0.000 1.113 399 T CA 0.101 62.201 62.100 0.000 0.000 1.082 399 T CB -0.274 68.559 68.868 -0.058 0.000 0.939 399 T HN 0.446 nan 8.240 nan 0.000 0.506 400 F N 2.614 122.627 119.950 0.105 0.000 2.371 400 F HA 0.462 4.989 4.527 -0.000 0.000 0.329 400 F C 1.358 177.208 175.800 0.083 0.000 1.107 400 F CA -1.259 56.803 58.000 0.104 0.000 1.137 400 F CB 1.274 40.321 39.000 0.079 0.000 1.214 400 F HN 0.071 nan 8.300 nan 0.000 0.536 401 T N -0.901 113.817 114.554 0.273 0.000 2.936 401 T HA 0.195 4.545 4.350 -0.000 0.000 0.282 401 T C 0.322 175.071 174.700 0.081 0.000 1.003 401 T CA -0.712 61.465 62.100 0.128 0.000 1.005 401 T CB 1.752 70.665 68.868 0.076 0.000 1.097 401 T HN 0.673 nan 8.240 nan 0.000 0.532 402 Q N -0.447 119.346 119.800 -0.010 0.000 2.472 402 Q HA 0.119 4.459 4.340 -0.000 0.000 0.208 402 Q C -0.454 175.650 176.000 0.173 0.000 0.958 402 Q CA 0.368 56.208 55.803 0.062 0.000 0.932 402 Q CB -0.131 28.594 28.738 -0.022 0.000 1.007 402 Q HN 0.663 nan 8.270 nan 0.000 0.508 403 Y N 0.885 121.204 120.300 0.032 0.000 2.480 403 Y HA 0.143 4.693 4.550 -0.000 0.000 0.341 403 Y C 0.298 176.159 175.900 -0.064 0.000 1.031 403 Y CA -0.700 57.377 58.100 -0.039 0.000 1.295 403 Y CB 0.455 38.795 38.460 -0.200 0.000 1.162 403 Y HN -0.100 nan 8.280 nan 0.000 0.523 404 R N 2.099 122.715 120.500 0.192 0.000 2.346 404 R HA 0.281 4.621 4.340 -0.000 0.000 0.311 404 R C -0.626 175.652 176.300 -0.036 0.000 0.983 404 R CA -0.416 55.681 56.100 -0.004 0.000 0.880 404 R CB 1.584 31.801 30.300 -0.138 0.000 1.100 404 R HN 0.494 nan 8.270 nan 0.000 0.453 405 S N 2.522 118.180 115.700 -0.070 0.000 2.454 405 S HA 0.157 4.627 4.470 -0.000 0.000 0.306 405 S C 0.403 175.072 174.600 0.114 0.000 1.100 405 S CA -0.815 57.393 58.200 0.013 0.000 1.087 405 S CB 0.547 63.751 63.200 0.006 0.000 1.019 405 S HN 0.748 nan 8.310 nan 0.000 0.480 406 W N 5.369 126.706 121.300 0.061 0.000 2.352 406 W HA -0.170 4.490 4.660 -0.000 0.000 0.322 406 W C 1.688 178.295 176.519 0.148 0.000 1.208 406 W CA 1.873 59.273 57.345 0.093 0.000 1.286 406 W CB -0.990 28.535 29.460 0.107 0.000 1.167 406 W HN 0.975 nan 8.180 nan 0.000 0.469 407 Y N 0.848 121.181 120.300 0.056 0.000 2.219 407 Y HA -0.356 4.194 4.550 -0.000 0.000 0.283 407 Y C 2.208 178.013 175.900 -0.158 0.000 1.191 407 Y CA 2.608 60.612 58.100 -0.160 0.000 1.199 407 Y CB -0.681 37.865 38.460 0.144 0.000 0.972 407 Y HN 0.036 nan 8.280 nan 0.000 0.527 408 L N -1.210 119.984 121.223 -0.049 0.000 2.023 408 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 408 L C 2.818 179.598 176.870 -0.149 0.000 1.073 408 L CA 1.023 55.823 54.840 -0.068 0.000 0.745 408 L CB -1.226 40.767 42.059 -0.110 0.000 0.900 408 L HN 0.239 nan 8.230 nan 0.000 0.435 409 A N -0.527 122.163 122.820 -0.216 0.000 1.948 409 A HA -0.311 4.009 4.320 -0.000 0.000 0.220 409 A C 2.194 179.590 177.584 -0.313 0.000 1.177 409 A CA 1.854 53.755 52.037 -0.227 0.000 0.636 409 A CB -0.978 17.911 19.000 -0.185 0.000 0.815 409 A HN 0.472 nan 8.150 nan 0.000 0.449 410 Y N 2.041 121.937 120.300 -0.674 0.000 2.089 410 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 410 Y C 1.892 177.488 175.900 -0.506 0.000 1.139 410 Y CA 2.503 60.185 58.100 -0.696 0.000 1.123 410 Y CB -0.118 37.676 38.460 -1.109 0.000 0.980 410 Y HN 0.543 nan 8.280 nan 0.000 0.493 411 N N -2.663 115.792 118.700 -0.408 0.000 2.236 411 N HA -0.009 4.731 4.740 -0.000 0.000 0.196 411 N C 0.288 175.447 175.510 -0.583 0.000 1.114 411 N CA 0.515 53.268 53.050 -0.494 0.000 0.859 411 N CB -0.542 37.646 38.487 -0.498 0.000 0.982 411 N HN 0.409 nan 8.380 nan 0.000 0.493 412 Y N 0.123 120.243 120.300 -0.300 0.000 2.445 412 Y HA 0.477 5.027 4.550 -0.000 0.000 0.247 412 Y C 1.497 177.270 175.900 -0.212 0.000 1.129 412 Y CA -0.505 57.452 58.100 -0.238 0.000 1.251 412 Y CB 0.725 39.037 38.460 -0.246 0.000 1.176 412 Y HN 0.065 nan 8.280 nan 0.000 0.522 413 G N -0.788 107.940 108.800 -0.121 0.000 2.521 413 G HA2 0.110 4.070 3.960 -0.000 0.000 0.323 413 G HA3 0.110 4.070 3.960 -0.000 0.000 0.323 413 G C -1.120 173.703 174.900 -0.128 0.000 1.211 413 G CA -0.544 44.488 45.100 -0.114 0.000 0.979 413 G HN -0.057 nan 8.290 nan 0.000 0.490 414 D N 0.260 120.607 120.400 -0.089 0.000 2.554 414 D HA 0.032 4.672 4.640 -0.000 0.000 0.251 414 D C -1.160 175.076 176.300 -0.108 0.000 1.213 414 D CA -1.123 52.830 54.000 -0.079 0.000 0.900 414 D CB 1.366 42.139 40.800 -0.045 0.000 1.135 414 D HN -0.094 nan 8.370 nan 0.000 0.522 415 P HA -0.111 nan 4.420 nan 0.000 0.218 415 P C 1.095 178.330 177.300 -0.108 0.000 1.149 415 P CA 1.112 64.113 63.100 -0.164 0.000 0.817 415 P CB 0.274 31.874 31.700 -0.166 0.000 0.785 416 Q N -1.522 118.237 119.800 -0.068 0.000 2.187 416 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 416 Q C 1.741 177.735 176.000 -0.010 0.000 0.957 416 Q CA 1.847 57.628 55.803 -0.037 0.000 0.857 416 Q CB -0.255 28.465 28.738 -0.029 0.000 0.929 416 Q HN 0.346 nan 8.270 nan 0.000 0.453 417 T N -4.070 110.480 114.554 -0.008 0.000 2.958 417 T HA 0.231 4.581 4.350 -0.000 0.000 0.256 417 T C 1.069 175.800 174.700 0.052 0.000 0.983 417 T CA 0.212 62.325 62.100 0.022 0.000 0.924 417 T CB 0.341 69.215 68.868 0.010 0.000 1.136 417 T HN 0.160 nan 8.240 nan 0.000 0.506 418 G N 1.749 110.558 108.800 0.015 0.000 2.393 418 G HA2 0.361 4.321 3.960 -0.000 0.000 0.268 418 G HA3 0.361 4.321 3.960 -0.000 0.000 0.268 418 G C 0.680 175.645 174.900 0.110 0.000 1.472 418 G CA -0.080 45.033 45.100 0.022 0.000 1.059 418 G HN 0.189 nan 8.290 nan 0.000 0.555 419 I N -0.251 120.346 120.570 0.046 0.000 2.716 419 I HA 0.107 4.277 4.170 -0.000 0.000 0.259 419 I C 2.689 178.746 176.117 -0.099 0.000 1.172 419 I CA 0.314 61.645 61.300 0.053 0.000 1.478 419 I CB -0.322 37.722 38.000 0.074 0.000 1.104 419 I HN 0.509 nan 8.210 nan 0.000 0.439 420 R N -0.283 120.086 120.500 -0.218 0.000 2.303 420 R HA -0.158 4.182 4.340 -0.000 0.000 0.225 420 R C 2.215 178.401 176.300 -0.190 0.000 1.114 420 R CA 1.347 57.182 56.100 -0.441 0.000 1.007 420 R CB -0.158 29.642 30.300 -0.834 0.000 0.861 420 R HN 0.312 nan 8.270 nan 0.000 0.471 421 S N 0.117 115.801 115.700 -0.026 0.000 2.406 421 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 421 S C 1.072 175.797 174.600 0.208 0.000 1.020 421 S CA 0.873 59.128 58.200 0.092 0.000 0.965 421 S CB -0.063 63.235 63.200 0.165 0.000 0.798 421 S HN 0.703 nan 8.310 nan 0.000 0.488 422 W N 1.980 123.300 121.300 0.033 0.000 2.252 422 W HA 0.406 5.066 4.660 -0.000 0.000 0.338 422 W C -0.448 176.103 176.519 0.053 0.000 0.914 422 W CA 0.103 57.465 57.345 0.028 0.000 1.754 422 W CB -1.233 28.228 29.460 0.001 0.000 1.135 422 W HN 0.279 nan 8.180 nan 0.000 0.531 423 T N -1.000 113.394 114.554 -0.266 0.000 2.896 423 T HA 0.717 5.067 4.350 -0.000 0.000 0.297 423 T C -1.451 173.346 174.700 0.162 0.000 1.108 423 T CA -0.677 61.300 62.100 -0.205 0.000 1.004 423 T CB 2.911 71.594 68.868 -0.310 0.000 1.159 423 T HN 0.166 nan 8.240 nan 0.000 0.499 424 L N 2.132 123.445 121.223 0.149 0.000 2.385 424 L HA 0.638 4.978 4.340 -0.000 0.000 0.273 424 L C -1.230 175.664 176.870 0.040 0.000 0.990 424 L CA -1.443 53.510 54.840 0.188 0.000 0.821 424 L CB 1.841 43.958 42.059 0.097 0.000 1.279 424 L HN 0.796 nan 8.230 nan 0.000 0.412 425 L N 5.228 126.316 121.223 -0.225 0.000 2.385 425 L HA 0.366 4.706 4.340 -0.000 0.000 0.281 425 L C -0.775 176.011 176.870 -0.139 0.000 1.106 425 L CA 0.370 55.006 54.840 -0.340 0.000 0.856 425 L CB 0.117 41.662 42.059 -0.856 0.000 1.186 425 L HN 0.642 nan 8.230 nan 0.000 0.453 426 C N 1.688 120.964 119.300 -0.040 0.000 2.913 426 C HA 0.582 5.042 4.460 -0.000 0.000 0.322 426 C C 0.397 175.453 174.990 0.110 0.000 1.292 426 C CA -0.837 58.191 59.018 0.018 0.000 1.649 426 C CB 1.729 29.474 27.740 0.009 0.000 2.139 426 C HN 0.800 nan 8.230 nan 0.000 0.475 427 T N 3.498 118.090 114.554 0.063 0.000 2.928 427 T HA 0.104 4.454 4.350 -0.000 0.000 0.305 427 T C -1.464 173.258 174.700 0.037 0.000 1.035 427 T CA 0.088 62.228 62.100 0.067 0.000 1.145 427 T CB 0.390 69.272 68.868 0.023 0.000 0.963 427 T HN 0.567 nan 8.240 nan 0.000 0.545 428 P HA -0.152 nan 4.420 nan 0.000 0.201 428 P C 0.069 177.327 177.300 -0.070 0.000 1.046 428 P CA 1.208 64.267 63.100 -0.069 0.000 0.942 428 P CB 0.077 31.717 31.700 -0.100 0.000 0.733 429 D N -2.378 117.989 120.400 -0.056 0.000 4.874 429 D HA -0.104 4.536 4.640 -0.000 0.000 0.228 429 D C 0.550 176.812 176.300 -0.063 0.000 1.423 429 D CA 0.558 54.529 54.000 -0.047 0.000 1.130 429 D CB -0.623 40.150 40.800 -0.045 0.000 0.564 429 D HN 0.065 nan 8.370 nan 0.000 0.272 430 V N 2.475 122.364 119.914 -0.043 0.000 2.488 430 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 430 V C 2.656 178.714 176.094 -0.060 0.000 1.046 430 V CA 2.642 64.908 62.300 -0.057 0.000 1.053 430 V CB -1.129 30.682 31.823 -0.020 0.000 0.679 430 V HN 0.798 nan 8.190 nan 0.000 0.458 431 T N -3.075 111.463 114.554 -0.026 0.000 2.896 431 T HA -0.320 4.030 4.350 -0.000 0.000 0.270 431 T C 1.418 176.084 174.700 -0.056 0.000 1.104 431 T CA 1.431 63.517 62.100 -0.025 0.000 1.115 431 T CB -1.323 67.549 68.868 0.008 0.000 0.843 431 T HN 1.045 nan 8.240 nan 0.000 0.523 432 C N -0.286 118.972 119.300 -0.070 0.000 4.933 432 C HA 0.098 4.558 4.460 -0.000 0.000 0.249 432 C C 1.153 176.106 174.990 -0.062 0.000 1.406 432 C CA 0.559 59.528 59.018 -0.083 0.000 1.505 432 C CB -2.048 25.638 27.740 -0.090 0.000 1.870 432 C HN 1.802 nan 8.230 nan 0.000 0.651 433 G N 0.031 108.806 108.800 -0.042 0.000 2.661 433 G HA2 0.347 4.307 3.960 -0.000 0.000 0.262 433 G HA3 0.347 4.307 3.960 -0.000 0.000 0.262 433 G C -0.481 174.415 174.900 -0.008 0.000 1.310 433 G CA 0.036 45.121 45.100 -0.026 0.000 1.160 433 G HN 0.850 nan 8.290 nan 0.000 0.598 434 S N 2.406 118.109 115.700 0.006 0.000 2.714 434 S HA 0.236 4.706 4.470 -0.000 0.000 0.318 434 S C 0.477 175.101 174.600 0.041 0.000 1.219 434 S CA 0.207 58.424 58.200 0.028 0.000 1.175 434 S CB 0.635 63.851 63.200 0.028 0.000 0.961 434 S HN 0.539 nan 8.310 nan 0.000 0.518 435 E N 2.373 122.600 120.200 0.045 0.000 2.222 435 E HA 0.395 4.745 4.350 -0.000 0.000 0.267 435 E C -0.297 176.362 176.600 0.098 0.000 0.963 435 E CA -0.834 55.599 56.400 0.055 0.000 0.837 435 E CB 1.345 31.051 29.700 0.010 0.000 1.183 435 E HN 0.586 nan 8.360 nan 0.000 0.403 436 Q N -0.371 119.515 119.800 0.143 0.000 2.248 436 Q HA 0.651 4.991 4.340 -0.000 0.000 0.263 436 Q C -0.296 175.849 176.000 0.242 0.000 1.007 436 Q CA -1.084 54.847 55.803 0.213 0.000 0.877 436 Q CB 1.461 30.366 28.738 0.278 0.000 1.315 436 Q HN 0.285 nan 8.270 nan 0.000 0.454 437 V N -2.222 117.857 119.914 0.274 0.000 2.769 437 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 437 V C -1.244 175.109 176.094 0.432 0.000 1.061 437 V CA -0.943 61.490 62.300 0.222 0.000 0.931 437 V CB 1.167 33.018 31.823 0.045 0.000 1.010 437 V HN 0.814 nan 8.190 nan 0.000 0.433 438 Y N 1.184 121.483 120.300 -0.002 0.000 2.377 438 Y HA 0.578 5.128 4.550 -0.000 0.000 0.339 438 Y C -0.487 175.408 175.900 -0.009 0.000 1.011 438 Y CA -0.865 57.267 58.100 0.052 0.000 1.093 438 Y CB 2.101 40.602 38.460 0.069 0.000 1.201 438 Y HN 0.685 nan 8.280 nan 0.000 0.455 439 W N 1.206 122.556 121.300 0.082 0.000 2.390 439 W HA 0.589 5.249 4.660 -0.000 0.000 0.362 439 W C -0.709 175.778 176.519 -0.055 0.000 1.206 439 W CA -0.274 57.062 57.345 -0.017 0.000 1.355 439 W CB 1.663 31.037 29.460 -0.144 0.000 1.278 439 W HN 0.368 nan 8.180 nan 0.000 0.653 440 S N 0.733 116.561 115.700 0.213 0.000 2.563 440 S HA 0.486 4.956 4.470 -0.000 0.000 0.279 440 S C -1.158 173.399 174.600 -0.071 0.000 1.155 440 S CA -0.936 57.280 58.200 0.026 0.000 0.928 440 S CB 0.433 63.663 63.200 0.050 0.000 1.107 440 S HN 0.448 nan 8.310 nan 0.000 0.462 441 L N 1.769 122.907 121.223 -0.141 0.000 3.083 441 L HA 0.332 4.672 4.340 -0.000 0.000 0.286 441 L C -2.101 174.630 176.870 -0.232 0.000 1.307 441 L CA -1.951 52.778 54.840 -0.184 0.000 0.897 441 L CB 0.632 42.608 42.059 -0.138 0.000 1.306 441 L HN 0.398 nan 8.230 nan 0.000 0.569 442 P HA -0.278 nan 4.420 nan 0.000 0.229 442 P C 0.596 177.764 177.300 -0.219 0.000 1.152 442 P CA 1.730 64.619 63.100 -0.351 0.000 0.915 442 P CB 0.123 31.373 31.700 -0.750 0.000 0.784 443 D N -2.983 117.289 120.400 -0.214 0.000 2.340 443 D HA 0.126 4.766 4.640 -0.000 0.000 0.217 443 D C 1.461 177.695 176.300 -0.110 0.000 1.081 443 D CA 0.372 54.288 54.000 -0.139 0.000 0.842 443 D CB 0.166 40.886 40.800 -0.133 0.000 0.934 443 D HN 0.308 nan 8.370 nan 0.000 0.511 444 M N -0.724 118.807 119.600 -0.116 0.000 2.180 444 M HA 0.096 4.576 4.480 -0.000 0.000 0.289 444 M C -0.781 175.472 176.300 -0.078 0.000 1.089 444 M CA 0.219 55.461 55.300 -0.096 0.000 1.120 444 M CB 0.940 33.475 32.600 -0.108 0.000 1.864 444 M HN -0.242 nan 8.290 nan 0.000 0.636 445 M N 1.284 120.834 119.600 -0.082 0.000 2.644 445 M HA 0.444 4.924 4.480 -0.000 0.000 0.316 445 M C -0.497 175.777 176.300 -0.042 0.000 1.200 445 M CA -0.379 54.885 55.300 -0.060 0.000 0.944 445 M CB 1.217 33.771 32.600 -0.077 0.000 1.691 445 M HN 0.077 nan 8.290 nan 0.000 0.471 446 Q N 0.980 120.770 119.800 -0.017 0.000 2.354 446 Q HA 0.174 4.514 4.340 -0.000 0.000 0.244 446 Q C -0.880 175.120 176.000 -0.000 0.000 0.969 446 Q CA -0.310 55.493 55.803 -0.001 0.000 0.885 446 Q CB 0.790 29.535 28.738 0.012 0.000 1.241 446 Q HN 0.444 nan 8.270 nan 0.000 0.461 447 D N 3.545 123.960 120.400 0.025 0.000 2.338 447 D HA 0.164 4.804 4.640 -0.000 0.000 0.255 447 D C -2.230 174.137 176.300 0.113 0.000 1.237 447 D CA -1.324 52.709 54.000 0.055 0.000 0.883 447 D CB 0.234 41.091 40.800 0.095 0.000 1.087 447 D HN 0.109 nan 8.370 nan 0.000 0.485 448 P HA -0.140 nan 4.420 nan 0.000 0.259 448 P C 1.214 178.691 177.300 0.295 0.000 1.163 448 P CA -0.040 63.180 63.100 0.200 0.000 0.760 448 P CB 0.669 32.485 31.700 0.193 0.000 0.762 449 V N 2.826 122.831 119.914 0.152 0.000 2.275 449 V HA -0.428 3.692 4.120 -0.000 0.000 0.165 449 V C 1.882 178.017 176.094 0.068 0.000 0.956 449 V CA 2.962 65.315 62.300 0.089 0.000 1.690 449 V CB -2.417 29.440 31.823 0.057 0.000 1.014 449 V HN 0.799 nan 8.190 nan 0.000 0.453 450 T N -2.835 111.724 114.554 0.007 0.000 3.069 450 T HA 0.372 4.722 4.350 -0.000 0.000 0.252 450 T C 0.019 174.635 174.700 -0.140 0.000 1.053 450 T CA -0.134 61.910 62.100 -0.093 0.000 0.964 450 T CB -0.297 68.463 68.868 -0.179 0.000 1.005 450 T HN 0.234 nan 8.240 nan 0.000 0.532 451 F N 3.210 123.184 119.950 0.039 0.000 2.410 451 F HA 0.461 4.988 4.527 -0.000 0.000 0.334 451 F C 1.124 176.953 175.800 0.048 0.000 1.134 451 F CA -1.200 56.831 58.000 0.052 0.000 1.227 451 F CB 0.798 39.840 39.000 0.069 0.000 1.194 451 F HN 0.057 nan 8.300 nan 0.000 0.571 452 R N 0.075 120.712 120.500 0.228 0.000 2.664 452 R HA 0.661 5.001 4.340 -0.000 0.000 0.286 452 R C -0.960 175.442 176.300 0.170 0.000 0.967 452 R CA -0.936 55.254 56.100 0.150 0.000 0.933 452 R CB 1.270 31.625 30.300 0.092 0.000 1.146 452 R HN 0.640 nan 8.270 nan 0.000 0.468 453 S N 1.033 116.812 115.700 0.132 0.000 2.548 453 S HA 0.262 4.732 4.470 -0.000 0.000 0.277 453 S C 0.028 174.707 174.600 0.131 0.000 1.315 453 S CA -0.386 57.894 58.200 0.134 0.000 1.050 453 S CB 1.481 64.738 63.200 0.095 0.000 0.918 453 S HN 0.772 nan 8.310 nan 0.000 0.497 454 T N 0.096 114.755 114.554 0.176 0.000 2.647 454 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 454 T C 0.152 174.977 174.700 0.209 0.000 1.126 454 T CA -0.034 62.149 62.100 0.138 0.000 1.040 454 T CB 0.901 69.816 68.868 0.078 0.000 1.472 454 T HN 0.891 nan 8.240 nan 0.000 0.500 455 S N -0.045 115.724 115.700 0.114 0.000 2.819 455 S HA 0.267 4.737 4.470 -0.000 0.000 0.249 455 S C 0.306 174.854 174.600 -0.087 0.000 1.030 455 S CA -0.381 57.909 58.200 0.151 0.000 1.052 455 S CB -0.072 63.195 63.200 0.112 0.000 1.017 455 S HN 0.683 nan 8.310 nan 0.000 0.576 456 Q N 2.206 121.863 119.800 -0.239 0.000 2.490 456 Q HA 0.270 4.610 4.340 -0.000 0.000 0.226 456 Q C 0.927 176.497 176.000 -0.716 0.000 1.132 456 Q CA -0.523 55.085 55.803 -0.324 0.000 0.928 456 Q CB -0.044 28.589 28.738 -0.176 0.000 1.299 456 Q HN 0.451 nan 8.270 nan 0.000 0.528 457 I N 1.335 121.414 120.570 -0.818 0.000 2.292 457 I HA -0.389 3.781 4.170 -0.000 0.000 0.255 457 I C 1.447 177.214 176.117 -0.584 0.000 1.078 457 I CA 2.002 62.750 61.300 -0.920 0.000 1.365 457 I CB -1.363 36.485 38.000 -0.253 0.000 1.049 457 I HN 0.521 nan 8.210 nan 0.000 0.439 458 S N -0.838 114.652 115.700 -0.351 0.000 2.685 458 S HA 0.230 4.700 4.470 -0.000 0.000 0.240 458 S C 0.861 175.380 174.600 -0.135 0.000 0.967 458 S CA 0.055 58.149 58.200 -0.178 0.000 1.009 458 S CB -1.086 62.051 63.200 -0.105 0.000 0.776 458 S HN 0.777 nan 8.310 nan 0.000 0.467 459 N N -0.546 118.035 118.700 -0.197 0.000 1.958 459 N HA 0.210 4.950 4.740 -0.000 0.000 0.223 459 N C -0.963 174.590 175.510 0.072 0.000 1.395 459 N CA -0.256 52.776 53.050 -0.031 0.000 0.737 459 N CB 0.297 38.768 38.487 -0.026 0.000 1.155 459 N HN 0.148 nan 8.380 nan 0.000 0.529 460 F N 2.299 122.275 119.950 0.044 0.000 2.657 460 F HA 0.117 4.644 4.527 -0.000 0.000 0.347 460 F C -1.665 174.122 175.800 -0.021 0.000 1.180 460 F CA -0.903 57.106 58.000 0.015 0.000 1.383 460 F CB -0.303 38.691 39.000 -0.010 0.000 1.077 460 F HN 0.006 nan 8.300 nan 0.000 0.622 461 P HA 0.186 nan 4.420 nan 0.000 0.274 461 P C -0.971 176.093 177.300 -0.393 0.000 1.231 461 P CA -0.193 62.748 63.100 -0.266 0.000 0.790 461 P CB 0.731 32.341 31.700 -0.150 0.000 0.951 462 V N 2.501 121.887 119.914 -0.880 0.000 2.532 462 V HA 0.218 4.338 4.120 -0.000 0.000 0.295 462 V C 1.202 177.092 176.094 -0.340 0.000 1.041 462 V CA -0.120 61.937 62.300 -0.406 0.000 0.926 462 V CB 1.626 33.303 31.823 -0.244 0.000 0.992 462 V HN 0.494 nan 8.190 nan 0.000 0.457 463 V N 0.125 119.943 119.914 -0.161 0.000 3.485 463 V HA 0.736 4.856 4.120 -0.000 0.000 0.280 463 V C 0.516 176.511 176.094 -0.165 0.000 1.495 463 V CA 0.575 62.782 62.300 -0.154 0.000 1.018 463 V CB 0.367 32.097 31.823 -0.155 0.000 0.818 463 V HN 0.998 nan 8.190 nan 0.000 0.436 464 G N -0.278 108.437 108.800 -0.142 0.000 2.755 464 G HA2 0.756 4.716 3.960 -0.000 0.000 0.297 464 G HA3 0.756 4.716 3.960 -0.000 0.000 0.297 464 G C -1.179 173.768 174.900 0.077 0.000 1.441 464 G CA 0.022 45.009 45.100 -0.188 0.000 0.964 464 G HN 0.822 nan 8.290 nan 0.000 0.540 465 A N 0.977 123.887 122.820 0.151 0.000 2.356 465 A HA 0.987 5.307 4.320 -0.000 0.000 0.323 465 A C -0.362 177.410 177.584 0.313 0.000 1.119 465 A CA -0.587 51.527 52.037 0.127 0.000 0.790 465 A CB 2.032 20.956 19.000 -0.126 0.000 1.273 465 A HN 1.117 nan 8.150 nan 0.000 0.452 466 E N 1.463 121.851 120.200 0.313 0.000 2.378 466 E HA 0.398 4.748 4.350 -0.000 0.000 0.283 466 E C -1.950 174.793 176.600 0.238 0.000 0.979 466 E CA -0.758 55.824 56.400 0.303 0.000 0.795 466 E CB 1.164 31.143 29.700 0.466 0.000 1.221 466 E HN 0.573 nan 8.360 nan 0.000 0.428 467 L N 3.308 124.645 121.223 0.189 0.000 2.456 467 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 467 L C -0.380 176.593 176.870 0.171 0.000 1.189 467 L CA -0.173 54.766 54.840 0.165 0.000 0.846 467 L CB 0.728 42.870 42.059 0.140 0.000 1.111 467 L HN 0.619 nan 8.230 nan 0.000 0.475 468 L N 8.219 129.530 121.223 0.147 0.000 2.456 468 L HA 0.300 4.640 4.340 -0.000 0.000 0.277 468 L C -1.913 175.045 176.870 0.146 0.000 1.124 468 L CA -1.513 53.407 54.840 0.134 0.000 0.880 468 L CB -0.219 41.903 42.059 0.106 0.000 1.192 468 L HN 0.503 nan 8.230 nan 0.000 0.463 469 P HA -0.080 nan 4.420 nan 0.000 0.148 469 P C -1.330 176.048 177.300 0.129 0.000 0.993 469 P CA 0.614 63.800 63.100 0.143 0.000 1.195 469 P CB -0.412 31.380 31.700 0.153 0.000 1.599 470 V N 1.577 121.612 119.914 0.201 0.000 2.711 470 V HA 0.334 4.454 4.120 -0.000 0.000 0.304 470 V C -0.135 176.188 176.094 0.383 0.000 1.097 470 V CA -0.729 61.690 62.300 0.198 0.000 0.906 470 V CB 1.941 33.842 31.823 0.131 0.000 1.015 470 V HN 0.343 nan 8.190 nan 0.000 0.427 471 H N 1.116 120.224 119.070 0.063 0.000 2.797 471 H HA 0.577 5.133 4.556 -0.000 0.000 0.362 471 H C -0.664 174.691 175.328 0.045 0.000 1.183 471 H CA -0.968 55.107 56.048 0.046 0.000 1.197 471 H CB 2.315 32.100 29.762 0.038 0.000 1.835 471 H HN 0.561 nan 8.280 nan 0.000 0.567 472 S N 1.970 117.741 115.700 0.119 0.000 2.488 472 S HA 0.109 4.579 4.470 -0.000 0.000 0.310 472 S C 0.007 174.636 174.600 0.048 0.000 1.093 472 S CA -0.661 57.583 58.200 0.073 0.000 1.129 472 S CB 0.265 63.477 63.200 0.020 0.000 0.989 472 S HN 0.268 nan 8.310 nan 0.000 0.479 473 K N 2.101 122.544 120.400 0.070 0.000 2.249 473 K HA 0.375 4.694 4.320 -0.000 0.000 0.280 473 K C -0.274 176.251 176.600 -0.124 0.000 1.033 473 K CA -0.069 56.180 56.287 -0.063 0.000 0.946 473 K CB 1.100 33.587 32.500 -0.022 0.000 1.005 473 K HN 0.437 nan 8.250 nan 0.000 0.469 474 S N 3.098 118.601 115.700 -0.328 0.000 2.482 474 S HA 0.634 5.104 4.470 -0.000 0.000 0.303 474 S C -0.844 173.491 174.600 -0.441 0.000 1.091 474 S CA -0.610 57.466 58.200 -0.206 0.000 1.057 474 S CB 0.570 63.715 63.200 -0.091 0.000 1.031 474 S HN 0.353 nan 8.310 nan 0.000 0.485 475 F N 0.954 120.926 119.950 0.038 0.000 2.654 475 F HA 0.555 5.082 4.527 -0.000 0.000 0.334 475 F C -0.684 175.176 175.800 0.101 0.000 1.078 475 F CA -1.079 56.958 58.000 0.062 0.000 0.986 475 F CB 0.930 39.950 39.000 0.035 0.000 1.362 475 F HN 0.496 nan 8.300 nan 0.000 0.498 476 Y N 2.255 122.681 120.300 0.210 0.000 2.331 476 Y HA 0.404 4.954 4.550 -0.000 0.000 0.334 476 Y C -0.742 175.208 175.900 0.082 0.000 0.960 476 Y CA -1.154 57.005 58.100 0.100 0.000 1.130 476 Y CB 0.997 39.490 38.460 0.055 0.000 1.164 476 Y HN 0.534 nan 8.280 nan 0.000 0.458 477 N N 3.689 122.160 118.700 -0.382 0.000 2.750 477 N HA 0.100 4.840 4.740 -0.000 0.000 0.253 477 N C -0.546 174.755 175.510 -0.348 0.000 1.408 477 N CA -0.432 52.489 53.050 -0.215 0.000 0.780 477 N CB 0.582 38.997 38.487 -0.119 0.000 1.191 477 N HN 0.627 nan 8.380 nan 0.000 0.511 478 D N 0.570 120.752 120.400 -0.363 0.000 2.389 478 D HA -0.098 4.542 4.640 -0.000 0.000 0.221 478 D C 1.103 177.365 176.300 -0.064 0.000 0.974 478 D CA 0.785 54.664 54.000 -0.201 0.000 0.923 478 D CB 0.415 41.286 40.800 0.118 0.000 0.892 478 D HN 0.416 nan 8.370 nan 0.000 0.518 479 Q N -0.075 119.703 119.800 -0.038 0.000 2.500 479 Q HA 0.041 4.381 4.340 -0.000 0.000 0.213 479 Q C 0.545 176.580 176.000 0.058 0.000 0.974 479 Q CA 0.146 55.976 55.803 0.044 0.000 0.918 479 Q CB -0.249 28.513 28.738 0.040 0.000 0.980 479 Q HN 0.188 nan 8.270 nan 0.000 0.505 480 A N 0.126 122.934 122.820 -0.019 0.000 2.440 480 A HA 0.295 4.615 4.320 -0.000 0.000 0.251 480 A C 1.221 178.826 177.584 0.034 0.000 1.089 480 A CA 0.080 52.105 52.037 -0.020 0.000 0.779 480 A CB 0.511 19.462 19.000 -0.082 0.000 1.022 480 A HN 0.136 nan 8.150 nan 0.000 0.492 481 V N 0.460 120.396 119.914 0.037 0.000 2.070 481 V HA -0.334 3.786 4.120 -0.000 0.000 0.100 481 V C 1.033 177.192 176.094 0.107 0.000 0.533 481 V CA 2.598 64.930 62.300 0.054 0.000 1.406 481 V CB -2.707 29.144 31.823 0.047 0.000 1.610 481 V HN 1.169 nan 8.190 nan 0.000 0.921 482 Y N -0.603 119.704 120.300 0.013 0.000 2.498 482 Y HA 0.313 4.863 4.550 -0.000 0.000 0.259 482 Y C 2.103 178.025 175.900 0.037 0.000 1.086 482 Y CA 1.561 59.678 58.100 0.029 0.000 1.287 482 Y CB 0.862 39.334 38.460 0.021 0.000 1.146 482 Y HN 0.186 nan 8.280 nan 0.000 0.523 483 S N -0.165 115.624 115.700 0.147 0.000 2.387 483 S HA -0.147 4.323 4.470 -0.000 0.000 0.221 483 S C 2.054 176.676 174.600 0.037 0.000 1.041 483 S CA 1.093 59.345 58.200 0.086 0.000 0.959 483 S CB -0.426 62.813 63.200 0.065 0.000 0.843 483 S HN 0.700 nan 8.310 nan 0.000 0.488 484 Q N 0.356 120.169 119.800 0.021 0.000 2.133 484 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 484 Q C 2.124 178.138 176.000 0.024 0.000 0.991 484 Q CA 1.981 57.788 55.803 0.007 0.000 0.867 484 Q CB -0.506 28.233 28.738 0.001 0.000 0.911 484 Q HN 0.527 nan 8.270 nan 0.000 0.417 485 L N 0.492 121.728 121.223 0.023 0.000 2.012 485 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 485 L C 2.192 179.173 176.870 0.184 0.000 1.073 485 L CA 1.786 56.658 54.840 0.053 0.000 0.748 485 L CB -0.212 41.795 42.059 -0.087 0.000 0.891 485 L HN 0.382 nan 8.230 nan 0.000 0.431 486 I N -1.631 118.992 120.570 0.090 0.000 2.703 486 I HA -0.097 4.073 4.170 -0.000 0.000 0.259 486 I C 2.552 178.776 176.117 0.178 0.000 1.151 486 I CA 0.363 61.766 61.300 0.172 0.000 1.470 486 I CB -0.297 37.726 38.000 0.039 0.000 1.112 486 I HN 0.221 nan 8.210 nan 0.000 0.437 487 R N 1.298 121.848 120.500 0.084 0.000 2.105 487 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 487 R C 2.167 178.469 176.300 0.003 0.000 1.135 487 R CA 1.740 57.862 56.100 0.038 0.000 0.967 487 R CB -0.120 30.182 30.300 0.003 0.000 0.861 487 R HN 0.429 nan 8.270 nan 0.000 0.442 488 Q N -0.951 118.819 119.800 -0.050 0.000 2.170 488 Q HA -0.170 4.170 4.340 -0.000 0.000 0.203 488 Q C 1.716 177.467 176.000 -0.414 0.000 0.976 488 Q CA 1.677 57.322 55.803 -0.262 0.000 0.858 488 Q CB -0.018 28.519 28.738 -0.335 0.000 0.907 488 Q HN 0.376 nan 8.270 nan 0.000 0.433 489 F N -0.743 119.151 119.950 -0.093 0.000 2.335 489 F HA -0.047 4.480 4.527 -0.000 0.000 0.296 489 F C 2.447 178.210 175.800 -0.062 0.000 1.091 489 F CA 0.852 58.806 58.000 -0.077 0.000 1.399 489 F CB -0.343 38.635 39.000 -0.037 0.000 1.067 489 F HN -0.058 nan 8.300 nan 0.000 0.520 490 T N -0.349 114.284 114.554 0.131 0.000 2.708 490 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 490 T C 1.070 175.783 174.700 0.020 0.000 1.037 490 T CA 1.417 63.556 62.100 0.067 0.000 1.146 490 T CB -0.588 68.311 68.868 0.052 0.000 0.865 490 T HN 0.226 nan 8.240 nan 0.000 0.435 491 S N 1.962 117.654 115.700 -0.013 0.000 2.474 491 S HA 0.339 4.809 4.470 -0.000 0.000 0.276 491 S C 0.949 175.499 174.600 -0.085 0.000 1.227 491 S CA -0.562 57.621 58.200 -0.029 0.000 1.050 491 S CB 0.394 63.589 63.200 -0.009 0.000 0.939 491 S HN 0.318 nan 8.310 nan 0.000 0.490 492 L N 2.378 123.568 121.223 -0.056 0.000 2.642 492 L HA 0.027 4.367 4.340 -0.000 0.000 0.236 492 L C 0.477 177.272 176.870 -0.126 0.000 1.169 492 L CA 0.400 55.199 54.840 -0.069 0.000 0.851 492 L CB -1.208 40.837 42.059 -0.023 0.000 0.968 492 L HN 0.702 nan 8.230 nan 0.000 0.453 493 T N -3.185 111.265 114.554 -0.174 0.000 2.909 493 T HA 0.301 4.651 4.350 -0.000 0.000 0.299 493 T C -0.360 174.178 174.700 -0.271 0.000 1.073 493 T CA -0.580 61.409 62.100 -0.185 0.000 0.999 493 T CB 1.516 70.331 68.868 -0.087 0.000 1.098 493 T HN -0.006 nan 8.240 nan 0.000 0.477 494 H N 0.746 119.767 119.070 -0.082 0.000 2.727 494 H HA 0.295 4.851 4.556 -0.000 0.000 0.312 494 H C 1.595 176.862 175.328 -0.101 0.000 1.204 494 H CA -0.309 55.692 56.048 -0.078 0.000 1.122 494 H CB -0.633 29.081 29.762 -0.079 0.000 1.453 494 H HN 0.276 nan 8.280 nan 0.000 0.514 495 V N -0.491 119.358 119.914 -0.109 0.000 2.380 495 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 495 V C 1.497 177.333 176.094 -0.430 0.000 1.063 495 V CA 1.857 63.968 62.300 -0.315 0.000 1.055 495 V CB -0.497 30.987 31.823 -0.565 0.000 0.657 495 V HN 0.515 nan 8.190 nan 0.000 0.455 496 F N -0.384 119.530 119.950 -0.060 0.000 2.569 496 F HA 0.140 4.667 4.527 -0.000 0.000 0.295 496 F C 1.929 177.650 175.800 -0.131 0.000 1.115 496 F CA 0.852 58.797 58.000 -0.092 0.000 1.450 496 F CB -0.217 38.739 39.000 -0.074 0.000 1.107 496 F HN 0.160 nan 8.300 nan 0.000 0.563 497 N N 0.390 119.128 118.700 0.063 0.000 2.276 497 N HA 0.044 4.784 4.740 -0.000 0.000 0.212 497 N C 1.233 176.709 175.510 -0.058 0.000 1.127 497 N CA -0.011 53.043 53.050 0.006 0.000 0.834 497 N CB -0.157 38.378 38.487 0.080 0.000 1.014 497 N HN 0.007 nan 8.380 nan 0.000 0.491 498 R N -0.396 120.018 120.500 -0.143 0.000 2.338 498 R HA -0.222 4.118 4.340 -0.000 0.000 0.272 498 R C 0.047 176.560 176.300 0.355 0.000 1.180 498 R CA 1.465 57.541 56.100 -0.040 0.000 1.020 498 R CB -0.570 29.605 30.300 -0.207 0.000 0.885 498 R HN 0.394 nan 8.270 nan 0.000 0.488 499 F N 0.646 120.605 119.950 0.016 0.000 2.798 499 F HA 0.252 4.779 4.527 -0.000 0.000 0.333 499 F C -1.462 174.356 175.800 0.030 0.000 1.324 499 F CA -2.280 55.731 58.000 0.019 0.000 1.183 499 F CB 0.894 39.908 39.000 0.023 0.000 1.132 499 F HN -0.144 nan 8.300 nan 0.000 0.521 500 P HA -0.138 nan 4.420 nan 0.000 0.261 500 P C -0.046 177.317 177.300 0.106 0.000 1.277 500 P CA 1.256 64.413 63.100 0.094 0.000 0.748 500 P CB 0.154 31.861 31.700 0.012 0.000 1.062 501 E N -1.271 119.017 120.200 0.147 0.000 2.520 501 E HA 0.046 4.396 4.350 -0.000 0.000 0.201 501 E C 0.856 177.582 176.600 0.210 0.000 0.894 501 E CA -0.257 56.229 56.400 0.143 0.000 1.161 501 E CB -0.862 28.904 29.700 0.112 0.000 1.137 501 E HN 0.041 nan 8.360 nan 0.000 0.510 502 N N 2.581 121.429 118.700 0.247 0.000 2.374 502 N HA -0.107 4.633 4.740 -0.000 0.000 0.269 502 N C 0.496 176.150 175.510 0.240 0.000 1.310 502 N CA 0.245 53.480 53.050 0.308 0.000 0.877 502 N CB 0.640 39.287 38.487 0.267 0.000 1.096 502 N HN 0.090 nan 8.380 nan 0.000 0.484 503 Q N 2.842 122.802 119.800 0.267 0.000 2.368 503 Q HA -0.105 4.235 4.340 -0.000 0.000 0.210 503 Q C 1.095 177.271 176.000 0.293 0.000 0.982 503 Q CA 1.048 57.030 55.803 0.298 0.000 0.884 503 Q CB 0.170 29.149 28.738 0.402 0.000 0.933 503 Q HN 0.666 nan 8.270 nan 0.000 0.460 504 I N -0.540 120.076 120.570 0.077 0.000 3.284 504 I HA -0.146 4.024 4.170 -0.000 0.000 0.231 504 I C 1.908 178.034 176.117 0.015 0.000 1.041 504 I CA 0.484 61.762 61.300 -0.037 0.000 1.478 504 I CB -0.843 36.983 38.000 -0.290 0.000 1.340 504 I HN 0.019 nan 8.210 nan 0.000 0.449 505 L N 1.171 122.413 121.223 0.033 0.000 2.683 505 L HA -0.178 4.162 4.340 -0.000 0.000 0.236 505 L C 1.327 178.260 176.870 0.105 0.000 1.179 505 L CA 0.117 55.033 54.840 0.126 0.000 0.822 505 L CB -1.464 40.863 42.059 0.447 0.000 0.952 505 L HN 0.276 nan 8.230 nan 0.000 0.455 506 A N 0.745 123.638 122.820 0.121 0.000 2.407 506 A HA 0.083 4.403 4.320 -0.000 0.000 0.257 506 A C 0.832 178.439 177.584 0.038 0.000 1.131 506 A CA -0.083 52.011 52.037 0.096 0.000 0.803 506 A CB 0.040 19.113 19.000 0.122 0.000 1.083 506 A HN 0.357 nan 8.150 nan 0.000 0.512 507 R N 0.439 120.957 120.500 0.030 0.000 2.216 507 R HA 0.322 4.662 4.340 -0.000 0.000 0.332 507 R C -2.605 173.700 176.300 0.009 0.000 1.056 507 R CA -1.556 54.552 56.100 0.014 0.000 0.901 507 R CB 0.122 30.437 30.300 0.024 0.000 1.039 507 R HN 0.395 nan 8.270 nan 0.000 0.456 508 P HA -0.028 nan 4.420 nan 0.000 0.266 508 P C -2.493 174.787 177.300 -0.033 0.000 1.186 508 P CA -0.545 62.545 63.100 -0.017 0.000 0.767 508 P CB 0.134 31.823 31.700 -0.017 0.000 0.820 509 P HA 0.135 nan 4.420 nan 0.000 0.271 509 P C -0.751 176.522 177.300 -0.044 0.000 1.218 509 P CA -0.000 63.081 63.100 -0.030 0.000 0.780 509 P CB 0.446 32.133 31.700 -0.023 0.000 0.901 510 A N 4.885 127.678 122.820 -0.045 0.000 2.409 510 A HA 0.477 4.797 4.320 -0.000 0.000 0.262 510 A C -2.080 175.466 177.584 -0.063 0.000 1.113 510 A CA -1.338 50.659 52.037 -0.066 0.000 0.790 510 A CB -0.589 18.370 19.000 -0.068 0.000 1.046 510 A HN 0.407 nan 8.150 nan 0.000 0.496 511 P HA 0.249 nan 4.420 nan 0.000 0.282 511 P C -0.106 177.124 177.300 -0.116 0.000 1.249 511 P CA -0.117 62.936 63.100 -0.077 0.000 0.806 511 P CB 0.949 32.605 31.700 -0.074 0.000 0.984 512 T N -0.285 114.178 114.554 -0.151 0.000 2.919 512 T HA 0.352 4.702 4.350 -0.000 0.000 0.302 512 T C 0.522 175.112 174.700 -0.184 0.000 1.031 512 T CA -0.305 61.621 62.100 -0.289 0.000 1.127 512 T CB -0.483 68.162 68.868 -0.372 0.000 0.952 512 T HN 0.327 nan 8.240 nan 0.000 0.540 513 I N 0.973 121.440 120.570 -0.172 0.000 6.568 513 I HA -0.158 4.012 4.170 -0.000 0.000 0.126 513 I C 0.766 176.888 176.117 0.008 0.000 1.827 513 I CA 0.580 61.876 61.300 -0.007 0.000 2.037 513 I CB -2.210 35.807 38.000 0.028 0.000 3.509 513 I HN 1.126 nan 8.210 nan 0.000 0.169 514 T N 0.794 115.378 114.554 0.049 0.000 2.918 514 T HA 0.857 5.207 4.350 -0.000 0.000 0.283 514 T C 0.337 175.118 174.700 0.136 0.000 1.001 514 T CA -0.607 61.521 62.100 0.047 0.000 1.041 514 T CB 1.888 70.763 68.868 0.012 0.000 1.028 514 T HN 0.422 nan 8.240 nan 0.000 0.511 515 T N 0.892 115.501 114.554 0.092 0.000 2.912 515 T HA 0.674 5.024 4.350 -0.000 0.000 0.288 515 T C -0.853 173.931 174.700 0.140 0.000 1.030 515 T CA -0.701 61.471 62.100 0.121 0.000 1.020 515 T CB 1.616 70.512 68.868 0.047 0.000 1.056 515 T HN 0.614 nan 8.240 nan 0.000 0.480 516 V N 2.178 122.208 119.914 0.193 0.000 2.711 516 V HA 0.419 4.539 4.120 -0.000 0.000 0.304 516 V C 0.069 176.286 176.094 0.205 0.000 1.097 516 V CA -1.168 61.251 62.300 0.198 0.000 0.906 516 V CB 2.183 34.125 31.823 0.200 0.000 1.015 516 V HN 1.118 nan 8.190 nan 0.000 0.427 517 S N 3.320 119.162 115.700 0.237 0.000 2.549 517 S HA 0.446 4.916 4.470 -0.000 0.000 0.283 517 S C -0.369 174.360 174.600 0.216 0.000 1.320 517 S CA -0.153 58.177 58.200 0.217 0.000 1.058 517 S CB 1.042 64.368 63.200 0.210 0.000 0.882 517 S HN 0.883 nan 8.310 nan 0.000 0.498 518 E N 2.316 122.613 120.200 0.162 0.000 2.275 518 E HA 0.238 4.588 4.350 -0.000 0.000 0.270 518 E C -1.086 175.570 176.600 0.094 0.000 0.882 518 E CA -0.711 55.754 56.400 0.109 0.000 0.758 518 E CB 1.071 30.838 29.700 0.110 0.000 1.195 518 E HN 0.764 nan 8.360 nan 0.000 0.419 519 N N 2.314 121.061 118.700 0.080 0.000 2.529 519 N HA 0.277 5.017 4.740 -0.000 0.000 0.278 519 N C -1.282 174.296 175.510 0.112 0.000 1.146 519 N CA -0.001 53.105 53.050 0.094 0.000 0.980 519 N CB 1.896 40.431 38.487 0.081 0.000 1.124 519 N HN 0.253 nan 8.380 nan 0.000 0.458 520 V N 4.257 124.229 119.914 0.097 0.000 2.808 520 V HA 0.436 4.556 4.120 -0.000 0.000 0.308 520 V C -2.370 173.782 176.094 0.096 0.000 1.099 520 V CA -1.901 60.421 62.300 0.036 0.000 0.920 520 V CB 2.559 34.272 31.823 -0.183 0.000 1.014 520 V HN 0.546 nan 8.190 nan 0.000 0.425 521 P HA 0.291 nan 4.420 nan 0.000 0.268 521 P C -0.959 176.344 177.300 0.005 0.000 1.205 521 P CA -0.091 62.962 63.100 -0.078 0.000 0.771 521 P CB 1.319 32.827 31.700 -0.321 0.000 0.858 522 A N 4.595 127.463 122.820 0.079 0.000 2.323 522 A HA 0.417 4.737 4.320 -0.000 0.000 0.305 522 A C 0.038 177.675 177.584 0.089 0.000 1.275 522 A CA -0.751 51.337 52.037 0.085 0.000 0.804 522 A CB 0.172 19.253 19.000 0.135 0.000 1.152 522 A HN 0.525 nan 8.150 nan 0.000 0.487 523 L N 3.296 124.546 121.223 0.045 0.000 2.387 523 L HA 0.186 4.526 4.340 -0.000 0.000 0.267 523 L C 1.015 177.890 176.870 0.007 0.000 1.197 523 L CA -0.052 54.805 54.840 0.027 0.000 1.070 523 L CB 0.236 42.299 42.059 0.007 0.000 1.349 523 L HN 0.796 nan 8.230 nan 0.000 0.422 524 T N 0.734 115.292 114.554 0.007 0.000 2.824 524 T HA 0.184 4.534 4.350 -0.000 0.000 0.277 524 T C -0.608 173.974 174.700 -0.196 0.000 0.975 524 T CA -0.416 61.635 62.100 -0.083 0.000 0.966 524 T CB 1.128 69.958 68.868 -0.063 0.000 1.054 524 T HN 0.511 nan 8.240 nan 0.000 0.533 525 D N 0.814 121.008 120.400 -0.344 0.000 2.613 525 D HA 0.179 4.819 4.640 -0.000 0.000 0.230 525 D C -0.842 175.205 176.300 -0.422 0.000 1.365 525 D CA -0.410 53.402 54.000 -0.313 0.000 0.976 525 D CB 0.682 41.394 40.800 -0.148 0.000 1.415 525 D HN 0.600 nan 8.370 nan 0.000 0.589 526 H N 1.057 120.067 119.070 -0.100 0.000 2.505 526 H HA 0.504 5.060 4.556 -0.000 0.000 0.358 526 H C 0.964 176.249 175.328 -0.072 0.000 1.304 526 H CA -0.339 55.654 56.048 -0.091 0.000 1.393 526 H CB 1.091 30.765 29.762 -0.148 0.000 1.591 526 H HN 0.439 nan 8.280 nan 0.000 0.595 527 G N -0.349 108.490 108.800 0.065 0.000 2.535 527 G HA2 0.213 4.173 3.960 -0.000 0.000 0.282 527 G HA3 0.213 4.173 3.960 -0.000 0.000 0.282 527 G C -0.320 174.587 174.900 0.012 0.000 1.350 527 G CA -0.504 44.608 45.100 0.020 0.000 1.039 527 G HN 0.623 nan 8.290 nan 0.000 0.509 528 T N -0.943 113.614 114.554 0.005 0.000 2.901 528 T HA 0.519 4.869 4.350 -0.000 0.000 0.301 528 T C 0.018 174.721 174.700 0.005 0.000 1.012 528 T CA -0.196 61.907 62.100 0.005 0.000 1.135 528 T CB 0.662 69.536 68.868 0.009 0.000 0.936 528 T HN 0.283 nan 8.240 nan 0.000 0.539 529 L N 3.445 124.668 121.223 0.000 0.000 2.354 529 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 529 L C -2.485 174.392 176.870 0.012 0.000 1.008 529 L CA -3.049 51.788 54.840 -0.004 0.000 0.819 529 L CB 2.462 44.502 42.059 -0.032 0.000 1.339 529 L HN 0.403 nan 8.230 nan 0.000 0.420 530 P HA 0.232 nan 4.420 nan 0.000 0.269 530 P C -1.031 176.292 177.300 0.039 0.000 1.209 530 P CA 0.035 63.159 63.100 0.039 0.000 0.776 530 P CB 0.608 32.320 31.700 0.019 0.000 0.876 531 L N 2.089 123.360 121.223 0.081 0.000 2.286 531 L HA 0.559 4.899 4.340 -0.000 0.000 0.265 531 L C 0.813 177.719 176.870 0.060 0.000 1.012 531 L CA -1.153 53.716 54.840 0.048 0.000 0.818 531 L CB 1.433 43.517 42.059 0.043 0.000 1.337 531 L HN 0.208 nan 8.230 nan 0.000 0.438 532 R N 0.464 120.971 120.500 0.012 0.000 2.459 532 R HA 0.209 4.549 4.340 -0.000 0.000 0.281 532 R C -0.099 176.199 176.300 -0.004 0.000 1.050 532 R CA -0.601 55.510 56.100 0.019 0.000 1.055 532 R CB 0.588 30.882 30.300 -0.009 0.000 1.045 532 R HN 0.493 nan 8.270 nan 0.000 0.495 533 N N -0.100 118.615 118.700 0.025 0.000 2.515 533 N HA -0.065 4.675 4.740 -0.000 0.000 0.191 533 N C -0.654 174.811 175.510 -0.075 0.000 1.182 533 N CA 0.286 53.321 53.050 -0.026 0.000 0.879 533 N CB 0.386 38.910 38.487 0.062 0.000 0.984 533 N HN 0.448 nan 8.380 nan 0.000 0.453 534 S N -0.244 115.422 115.700 -0.058 0.000 2.620 534 S HA 0.418 4.888 4.470 -0.000 0.000 0.244 534 S C -0.569 173.995 174.600 -0.060 0.000 1.192 534 S CA -0.842 57.324 58.200 -0.057 0.000 1.148 534 S CB 0.178 63.360 63.200 -0.030 0.000 1.106 534 S HN 0.035 nan 8.310 nan 0.000 0.474 535 I N 3.159 123.681 120.570 -0.080 0.000 2.337 535 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 535 I C 1.296 177.377 176.117 -0.059 0.000 1.046 535 I CA -0.392 60.861 61.300 -0.078 0.000 1.324 535 I CB 0.726 38.663 38.000 -0.105 0.000 1.409 535 I HN 0.843 nan 8.210 nan 0.000 0.494 536 G N 3.929 112.697 108.800 -0.053 0.000 2.554 536 G HA2 0.178 4.138 3.960 -0.000 0.000 0.238 536 G HA3 0.178 4.138 3.960 -0.000 0.000 0.238 536 G C 1.092 175.968 174.900 -0.040 0.000 1.259 536 G CA -0.001 45.075 45.100 -0.041 0.000 0.843 536 G HN 0.884 nan 8.290 nan 0.000 0.582 537 G N -0.334 108.450 108.800 -0.027 0.000 2.442 537 G HA2 0.078 4.038 3.960 -0.000 0.000 0.219 537 G HA3 0.078 4.038 3.960 -0.000 0.000 0.219 537 G C 0.802 175.687 174.900 -0.024 0.000 1.141 537 G CA 1.489 46.576 45.100 -0.022 0.000 0.763 537 G HN 1.429 nan 8.290 nan 0.000 0.554 538 V N -2.244 117.655 119.914 -0.024 0.000 2.409 538 V HA 0.662 4.782 4.120 -0.000 0.000 0.291 538 V C -1.035 175.029 176.094 -0.050 0.000 1.020 538 V CA -1.274 61.011 62.300 -0.024 0.000 0.848 538 V CB 1.769 33.587 31.823 -0.008 0.000 0.990 538 V HN 0.036 nan 8.190 nan 0.000 0.430 539 Q N 3.119 122.878 119.800 -0.068 0.000 2.257 539 Q HA 0.564 4.904 4.340 -0.000 0.000 0.262 539 Q C -0.701 175.206 176.000 -0.156 0.000 0.997 539 Q CA -0.580 55.156 55.803 -0.112 0.000 0.873 539 Q CB 2.794 31.463 28.738 -0.115 0.000 1.312 539 Q HN 0.931 nan 8.270 nan 0.000 0.450 540 R N 0.653 121.029 120.500 -0.206 0.000 2.387 540 R HA 0.548 4.888 4.340 -0.000 0.000 0.314 540 R C -1.194 174.900 176.300 -0.343 0.000 0.958 540 R CA -0.348 55.594 56.100 -0.262 0.000 0.846 540 R CB 0.952 31.114 30.300 -0.231 0.000 1.147 540 R HN 0.335 nan 8.270 nan 0.000 0.447 541 V N 3.439 123.048 119.914 -0.509 0.000 2.547 541 V HA 0.525 4.645 4.120 -0.000 0.000 0.299 541 V C -0.336 175.578 176.094 -0.301 0.000 1.040 541 V CA -0.409 61.613 62.300 -0.463 0.000 0.913 541 V CB 2.074 33.425 31.823 -0.788 0.000 0.992 541 V HN 0.857 nan 8.190 nan 0.000 0.449 542 T N 5.430 119.936 114.554 -0.079 0.000 3.293 542 T HA 0.504 4.854 4.350 -0.000 0.000 0.320 542 T C -0.726 173.969 174.700 -0.009 0.000 0.995 542 T CA -0.187 61.920 62.100 0.011 0.000 1.041 542 T CB 0.701 69.643 68.868 0.124 0.000 1.058 542 T HN 0.386 nan 8.240 nan 0.000 0.453 543 I N 3.615 124.123 120.570 -0.103 0.000 2.321 543 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 543 I C 0.514 176.563 176.117 -0.113 0.000 0.998 543 I CA -0.435 60.706 61.300 -0.265 0.000 1.227 543 I CB 1.619 39.337 38.000 -0.471 0.000 1.368 543 I HN 0.507 nan 8.210 nan 0.000 0.466 544 T N 3.683 118.191 114.554 -0.076 0.000 2.940 544 T HA 0.374 4.724 4.350 -0.000 0.000 0.288 544 T C -0.549 174.106 174.700 -0.076 0.000 1.045 544 T CA -0.745 61.323 62.100 -0.052 0.000 1.018 544 T CB 1.990 70.829 68.868 -0.050 0.000 1.151 544 T HN 0.661 nan 8.240 nan 0.000 0.529 545 D N -0.597 119.755 120.400 -0.080 0.000 2.506 545 D HA 0.500 5.140 4.640 -0.000 0.000 0.254 545 D C 1.480 177.634 176.300 -0.243 0.000 1.089 545 D CA -0.546 53.404 54.000 -0.083 0.000 1.050 545 D CB 1.123 41.952 40.800 0.049 0.000 1.221 545 D HN 0.503 nan 8.370 nan 0.000 0.589 546 A N 0.478 123.189 122.820 -0.181 0.000 1.915 546 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 546 A C 2.057 179.531 177.584 -0.183 0.000 1.198 546 A CA 1.777 53.700 52.037 -0.191 0.000 0.647 546 A CB -0.707 18.261 19.000 -0.053 0.000 0.825 546 A HN 0.644 nan 8.150 nan 0.000 0.456 547 R N -1.892 118.534 120.500 -0.123 0.000 2.310 547 R HA 0.120 4.460 4.340 -0.000 0.000 0.202 547 R C -0.415 175.841 176.300 -0.072 0.000 0.933 547 R CA -0.060 55.996 56.100 -0.072 0.000 1.054 547 R CB 0.225 30.497 30.300 -0.048 0.000 0.985 547 R HN 0.299 nan 8.270 nan 0.000 0.489 548 R N 1.164 121.591 120.500 -0.122 0.000 2.598 548 R HA -0.127 4.213 4.340 -0.000 0.000 0.323 548 R C -1.047 175.229 176.300 -0.039 0.000 0.993 548 R CA 0.695 56.736 56.100 -0.098 0.000 0.724 548 R CB -1.699 28.556 30.300 -0.074 0.000 2.060 548 R HN 0.629 nan 8.270 nan 0.000 0.470 549 R N -2.069 118.423 120.500 -0.014 0.000 2.644 549 R HA 0.291 4.631 4.340 -0.000 0.000 0.257 549 R C -0.214 176.095 176.300 0.015 0.000 1.082 549 R CA -0.517 55.592 56.100 0.016 0.000 0.927 549 R CB 0.592 30.934 30.300 0.070 0.000 1.258 549 R HN 0.253 nan 8.270 nan 0.000 0.459 550 T N -1.013 113.528 114.554 -0.023 0.000 2.854 550 T HA -0.005 4.345 4.350 -0.000 0.000 0.336 550 T C 0.298 174.924 174.700 -0.123 0.000 1.095 550 T CA -0.230 61.837 62.100 -0.054 0.000 1.118 550 T CB 0.675 69.504 68.868 -0.066 0.000 1.025 550 T HN 0.708 nan 8.240 nan 0.000 0.549 551 C N 5.684 124.904 119.300 -0.133 0.000 2.291 551 C HA 0.553 5.013 4.460 -0.000 0.000 0.322 551 C C -1.278 173.550 174.990 -0.271 0.000 1.205 551 C CA -1.853 57.035 59.018 -0.217 0.000 1.495 551 C CB 0.148 27.907 27.740 0.032 0.000 2.127 551 C HN 0.807 nan 8.230 nan 0.000 0.452 552 P HA -0.143 nan 4.420 nan 0.000 0.218 552 P C 0.200 177.194 177.300 -0.511 0.000 1.146 552 P CA 1.565 64.344 63.100 -0.535 0.000 0.820 552 P CB -0.109 31.136 31.700 -0.758 0.000 0.778 553 Y N -1.503 118.701 120.300 -0.160 0.000 2.471 553 Y HA 0.105 4.655 4.550 -0.000 0.000 0.321 553 Y C 0.675 176.560 175.900 -0.025 0.000 1.195 553 Y CA -0.375 57.688 58.100 -0.063 0.000 1.272 553 Y CB -0.597 37.860 38.460 -0.005 0.000 1.097 553 Y HN -0.257 nan 8.280 nan 0.000 0.507 554 V N 0.656 120.594 119.914 0.040 0.000 2.383 554 V HA -0.016 4.104 4.120 -0.000 0.000 0.275 554 V C 0.452 176.627 176.094 0.134 0.000 1.036 554 V CA -0.613 61.733 62.300 0.078 0.000 0.889 554 V CB 0.765 32.617 31.823 0.049 0.000 0.985 554 V HN 0.331 nan 8.190 nan 0.000 0.459 555 Y N 4.770 125.099 120.300 0.048 0.000 2.479 555 Y HA 0.428 4.978 4.550 -0.000 0.000 0.283 555 Y C 0.701 176.762 175.900 0.268 0.000 1.109 555 Y CA 0.344 58.523 58.100 0.132 0.000 1.239 555 Y CB 0.460 38.914 38.460 -0.010 0.000 1.108 555 Y HN 0.510 nan 8.280 nan 0.000 0.548 556 K N 1.270 121.541 120.400 -0.214 0.000 2.535 556 K HA 0.703 5.023 4.320 -0.000 0.000 0.251 556 K C -1.984 174.559 176.600 -0.096 0.000 0.942 556 K CA -0.339 55.716 56.287 -0.387 0.000 0.798 556 K CB 1.670 33.888 32.500 -0.469 0.000 1.267 556 K HN 0.166 nan 8.250 nan 0.000 0.434 557 A N 3.525 126.277 122.820 -0.113 0.000 2.455 557 A HA 0.847 5.167 4.320 -0.000 0.000 0.300 557 A C -1.832 175.876 177.584 0.207 0.000 1.040 557 A CA -0.611 51.522 52.037 0.161 0.000 0.697 557 A CB 0.709 19.835 19.000 0.210 0.000 1.265 557 A HN 0.959 nan 8.150 nan 0.000 0.407 558 L N -0.786 120.621 121.223 0.307 0.000 2.672 558 L HA 0.964 5.304 4.340 -0.000 0.000 0.256 558 L C -0.369 176.596 176.870 0.158 0.000 0.946 558 L CA 0.004 54.982 54.840 0.229 0.000 0.889 558 L CB 1.168 43.288 42.059 0.103 0.000 1.441 558 L HN 1.353 nan 8.230 nan 0.000 0.418 559 G N 1.160 110.016 108.800 0.094 0.000 2.672 559 G HA2 0.819 4.779 3.960 -0.000 0.000 0.292 559 G HA3 0.819 4.779 3.960 -0.000 0.000 0.292 559 G C -1.623 173.285 174.900 0.012 0.000 1.375 559 G CA -0.854 44.233 45.100 -0.020 0.000 0.890 559 G HN 0.721 nan 8.290 nan 0.000 0.476 560 I N 0.802 121.354 120.570 -0.029 0.000 2.436 560 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 560 I C -0.571 175.469 176.117 -0.128 0.000 1.010 560 I CA -0.975 60.290 61.300 -0.058 0.000 1.098 560 I CB 2.187 40.182 38.000 -0.009 0.000 1.266 560 I HN 0.064 nan 8.210 nan 0.000 0.434 561 V N 4.580 124.382 119.914 -0.185 0.000 2.555 561 V HA 0.442 4.562 4.120 -0.000 0.000 0.302 561 V C -0.189 175.801 176.094 -0.174 0.000 1.038 561 V CA -0.506 61.701 62.300 -0.156 0.000 0.887 561 V CB 1.959 33.697 31.823 -0.141 0.000 0.991 561 V HN 0.806 nan 8.190 nan 0.000 0.434 562 S N 5.796 121.430 115.700 -0.109 0.000 2.542 562 S HA 0.433 4.903 4.470 -0.000 0.000 0.245 562 S C -2.580 172.013 174.600 -0.012 0.000 1.325 562 S CA -1.218 56.934 58.200 -0.081 0.000 1.176 562 S CB 1.082 64.245 63.200 -0.062 0.000 1.045 562 S HN 0.636 nan 8.310 nan 0.000 0.481 563 P HA 0.328 nan 4.420 nan 0.000 0.272 563 P C -0.517 176.950 177.300 0.279 0.000 1.230 563 P CA -0.362 62.813 63.100 0.125 0.000 0.788 563 P CB 0.601 32.309 31.700 0.014 0.000 0.949 564 R N -0.601 120.158 120.500 0.432 0.000 2.687 564 R HA 0.421 4.761 4.340 -0.000 0.000 0.265 564 R C -1.293 175.018 176.300 0.018 0.000 1.048 564 R CA -1.002 55.271 56.100 0.290 0.000 0.884 564 R CB 0.041 30.407 30.300 0.109 0.000 1.258 564 R HN 0.089 nan 8.270 nan 0.000 0.469 565 V N 2.659 122.313 119.914 -0.433 0.000 2.999 565 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 565 V C 1.066 176.976 176.094 -0.305 0.000 1.084 565 V CA 0.324 62.218 62.300 -0.676 0.000 1.155 565 V CB 0.668 32.093 31.823 -0.663 0.000 0.975 565 V HN 0.721 nan 8.190 nan 0.000 0.490 566 L N 1.784 122.846 121.223 -0.268 0.000 3.017 566 L HA 0.310 4.650 4.340 -0.000 0.000 0.265 566 L C 0.475 177.292 176.870 -0.089 0.000 1.128 566 L CA 0.629 55.399 54.840 -0.118 0.000 0.984 566 L CB 0.929 42.965 42.059 -0.040 0.000 1.464 566 L HN 0.921 nan 8.230 nan 0.000 0.556 567 S N -1.070 114.561 115.700 -0.115 0.000 2.690 567 S HA 0.376 4.846 4.470 -0.000 0.000 0.264 567 S C -0.955 173.576 174.600 -0.116 0.000 1.040 567 S CA -0.415 57.743 58.200 -0.071 0.000 0.869 567 S CB 0.974 64.186 63.200 0.020 0.000 1.132 567 S HN 0.052 nan 8.310 nan 0.000 0.474 568 S N 0.028 115.668 115.700 -0.100 0.000 2.677 568 S HA 0.846 5.316 4.470 -0.000 0.000 0.304 568 S C -0.308 174.199 174.600 -0.155 0.000 1.108 568 S CA -1.215 56.888 58.200 -0.162 0.000 0.944 568 S CB 1.355 64.476 63.200 -0.132 0.000 1.127 568 S HN 0.911 nan 8.310 nan 0.000 0.511 569 R N 0.000 120.375 120.500 -0.208 0.000 2.786 569 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 569 R CA 0.000 56.014 56.100 -0.144 0.000 0.921 569 R CB 0.000 30.187 30.300 -0.188 0.000 0.687 569 R HN 0.000 nan 8.270 nan 0.000 0.535