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 1urs_1_A DATA FIRST_RESID 30 DATA SEQUENCE QTITVWSWQT GPELQDVKQI AAQWAKAHGD KVIVVDQSSN PKGFQFYATA DATA SEQUENCE ARTGKGPDVV FGMPHDNNGV FAEEGLMAPV PSGVLNTGLY APNTIDAIKV DATA SEQUENCE NGTMYSVPVS VQVAAIYYNK KLVPQPPQTW AEFVKDANAH GFMYDQANLY DATA SEQUENCE FDYAIIGGYG GYVFKDNNGT LDPNNIGLDT PGAVQAYTLM RDMVSKYHWM DATA SEQUENCE TPSTNGSIAK AEFLAGKIGM YVSGPWDTAD IEKAKIDFGV TPWPTLPNGK DATA SEQUENCE HATPFLGVIT AFVNKESKTQ AADWSLVQAL TSAQAQQMYF RDSQQIPALL DATA SEQUENCE SVQRSSAVQS SPTFKAFVEQ LRYAVPMPNI PQMQAVWQAM SILQNIIAGK DATA SEQUENCE VSPEQGAKDF VQNIQKG 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 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.035 176.000 0.058 0.000 1.003 30 Q CA 0.000 55.831 55.803 0.047 0.000 1.022 30 Q CB 0.000 28.760 28.738 0.036 0.000 1.108 31 T N 1.199 115.784 114.554 0.052 0.000 2.933 31 T HA 0.663 4.729 4.350 -0.474 0.000 0.305 31 T C -1.048 173.676 174.700 0.040 0.000 1.092 31 T CA -0.471 61.662 62.100 0.055 0.000 1.008 31 T CB 1.311 70.204 68.868 0.042 0.000 1.102 31 T HN 0.326 nan 8.240 nan 0.000 0.469 32 I N 2.190 122.782 120.570 0.038 0.000 2.404 32 I HA 0.399 4.285 4.170 -0.474 0.000 0.293 32 I C 0.018 176.113 176.117 -0.037 0.000 0.992 32 I CA -0.647 60.642 61.300 -0.018 0.000 1.149 32 I CB 2.016 39.987 38.000 -0.048 0.000 1.315 32 I HN 0.497 nan 8.210 nan 0.000 0.446 33 T N 5.600 120.115 114.554 -0.064 0.000 2.794 33 T HA 0.481 4.547 4.350 -0.474 0.000 0.280 33 T C -0.272 174.376 174.700 -0.085 0.000 0.987 33 T CA -0.433 61.645 62.100 -0.037 0.000 0.993 33 T CB 1.713 70.576 68.868 -0.008 0.000 0.939 33 T HN 0.166 nan 8.240 nan 0.000 0.449 34 V N 3.701 123.613 119.914 -0.003 0.000 2.459 34 V HA 0.442 4.278 4.120 -0.474 0.000 0.295 34 V C -1.023 175.211 176.094 0.235 0.000 1.029 34 V CA -0.964 61.339 62.300 0.006 0.000 0.874 34 V CB 1.557 33.354 31.823 -0.043 0.000 0.985 34 V HN 0.793 nan 8.190 nan 0.000 0.438 35 W N 2.790 124.063 121.300 -0.046 0.000 2.376 35 W HA 0.626 5.000 4.660 -0.476 0.000 0.312 35 W C 0.407 176.939 176.519 0.021 0.000 1.060 35 W CA -0.870 56.440 57.345 -0.059 0.000 1.221 35 W CB 1.707 31.161 29.460 -0.011 0.000 1.281 35 W HN 0.501 nan 8.180 nan 0.000 0.456 36 S N 3.387 119.174 115.700 0.144 0.000 2.454 36 S HA 0.385 4.571 4.470 -0.474 0.000 0.306 36 S C 0.140 174.799 174.600 0.098 0.000 1.100 36 S CA -0.465 57.880 58.200 0.241 0.000 1.087 36 S CB 0.680 63.997 63.200 0.196 0.000 1.019 36 S HN 0.600 nan 8.310 nan 0.000 0.480 37 W N 2.927 124.332 121.300 0.175 0.000 3.316 37 W HA 0.227 4.609 4.660 -0.464 0.000 0.327 37 W C 0.153 176.750 176.519 0.130 0.000 1.232 37 W CA -0.296 57.139 57.345 0.150 0.000 1.805 37 W CB 0.484 30.114 29.460 0.284 0.000 1.090 37 W HN 0.545 nan 8.180 nan 0.000 0.654 38 Q N 0.147 120.125 119.800 0.297 0.000 2.282 38 Q HA 0.320 4.375 4.340 -0.474 0.000 0.260 38 Q C 0.160 176.240 176.000 0.133 0.000 0.964 38 Q CA 0.215 56.151 55.803 0.222 0.000 0.880 38 Q CB 2.896 31.788 28.738 0.257 0.000 1.286 38 Q HN -0.205 nan 8.270 nan 0.000 0.445 39 T N -0.392 114.220 114.554 0.098 0.000 2.678 39 T HA 0.743 4.809 4.350 -0.474 0.000 0.260 39 T C 0.325 175.058 174.700 0.055 0.000 0.932 39 T CA 0.547 62.675 62.100 0.046 0.000 1.043 39 T CB 0.924 69.800 68.868 0.013 0.000 1.413 39 T HN 0.829 nan 8.240 nan 0.000 0.568 40 G N 1.200 110.020 108.800 0.034 0.000 2.564 40 G HA2 -0.192 3.484 3.960 -0.474 0.000 0.273 40 G HA3 -0.192 3.484 3.960 -0.474 0.000 0.273 40 G C -1.763 173.163 174.900 0.045 0.000 1.242 40 G CA 0.227 45.351 45.100 0.039 0.000 0.951 40 G HN 0.670 nan 8.290 nan 0.000 0.564 41 P HA -0.011 nan 4.420 nan 0.000 0.216 41 P C 1.604 178.959 177.300 0.093 0.000 1.150 41 P CA 1.930 65.070 63.100 0.067 0.000 0.843 41 P CB -0.057 31.684 31.700 0.068 0.000 0.787 42 E N -0.809 119.451 120.200 0.099 0.000 2.110 42 E HA -0.188 3.878 4.350 -0.474 0.000 0.193 42 E C 1.825 178.447 176.600 0.037 0.000 0.988 42 E CA 0.641 57.099 56.400 0.097 0.000 0.804 42 E CB -0.486 29.233 29.700 0.031 0.000 0.745 42 E HN 0.032 nan 8.360 nan 0.000 0.458 43 L N 1.041 122.280 121.223 0.027 0.000 2.093 43 L HA -0.192 3.864 4.340 -0.474 0.000 0.208 43 L C 2.177 179.044 176.870 -0.005 0.000 1.085 43 L CA 1.625 56.460 54.840 -0.009 0.000 0.755 43 L CB -0.300 41.759 42.059 -0.000 0.000 0.904 43 L HN 0.106 nan 8.230 nan 0.000 0.435 44 Q N -0.200 119.615 119.800 0.025 0.000 2.084 44 Q HA -0.201 3.854 4.340 -0.474 0.000 0.202 44 Q C 1.897 177.924 176.000 0.045 0.000 0.978 44 Q CA 1.825 57.646 55.803 0.029 0.000 0.844 44 Q CB -0.396 28.364 28.738 0.037 0.000 0.898 44 Q HN 0.617 nan 8.270 nan 0.000 0.426 45 D N -0.022 120.433 120.400 0.093 0.000 2.117 45 D HA -0.098 4.257 4.640 -0.474 0.000 0.198 45 D C 2.107 178.471 176.300 0.106 0.000 0.982 45 D CA 0.689 54.772 54.000 0.137 0.000 0.828 45 D CB -0.129 40.845 40.800 0.291 0.000 0.967 45 D HN 0.030 nan 8.370 nan 0.000 0.464 46 V N 1.284 121.223 119.914 0.041 0.000 2.332 46 V HA -0.254 3.581 4.120 -0.474 0.000 0.248 46 V C 2.340 178.382 176.094 -0.085 0.000 1.055 46 V CA 1.639 63.858 62.300 -0.135 0.000 1.038 46 V CB -0.353 31.224 31.823 -0.410 0.000 0.651 46 V HN 0.180 nan 8.190 nan 0.000 0.450 47 K N -0.404 119.969 120.400 -0.046 0.000 2.097 47 K HA -0.241 3.795 4.320 -0.474 0.000 0.206 47 K C 2.282 178.888 176.600 0.011 0.000 1.049 47 K CA 1.663 57.938 56.287 -0.019 0.000 0.933 47 K CB -0.183 32.311 32.500 -0.010 0.000 0.717 47 K HN 0.513 nan 8.250 nan 0.000 0.442 48 Q N 1.114 120.927 119.800 0.022 0.000 2.050 48 Q HA -0.142 3.913 4.340 -0.474 0.000 0.202 48 Q C 2.031 178.060 176.000 0.048 0.000 0.980 48 Q CA 1.383 57.207 55.803 0.036 0.000 0.840 48 Q CB -0.003 28.757 28.738 0.036 0.000 0.898 48 Q HN 0.284 nan 8.270 nan 0.000 0.424 49 I N 0.619 121.213 120.570 0.041 0.000 2.226 49 I HA -0.256 3.630 4.170 -0.474 0.000 0.245 49 I C 2.440 178.616 176.117 0.098 0.000 1.100 49 I CA 0.946 62.281 61.300 0.058 0.000 1.374 49 I CB -0.437 37.580 38.000 0.029 0.000 1.057 49 I HN 0.292 nan 8.210 nan 0.000 0.413 50 A N 0.761 123.610 122.820 0.049 0.000 1.933 50 A HA -0.146 3.889 4.320 -0.474 0.000 0.218 50 A C 2.536 180.229 177.584 0.181 0.000 1.175 50 A CA 1.819 53.901 52.037 0.074 0.000 0.628 50 A CB -0.758 18.231 19.000 -0.019 0.000 0.814 50 A HN 0.433 nan 8.150 nan 0.000 0.444 51 A N -0.968 121.925 122.820 0.121 0.000 1.930 51 A HA -0.194 3.841 4.320 -0.474 0.000 0.217 51 A C 2.175 179.842 177.584 0.138 0.000 1.175 51 A CA 1.705 53.814 52.037 0.119 0.000 0.627 51 A CB -0.525 18.518 19.000 0.072 0.000 0.815 51 A HN 0.647 nan 8.150 nan 0.000 0.443 52 Q N -1.974 117.909 119.800 0.139 0.000 2.119 52 Q HA -0.217 3.838 4.340 -0.474 0.000 0.201 52 Q C 1.875 177.984 176.000 0.182 0.000 0.972 52 Q CA 1.679 57.559 55.803 0.127 0.000 0.847 52 Q CB -0.229 28.575 28.738 0.110 0.000 0.903 52 Q HN 0.833 nan 8.270 nan 0.000 0.433 53 W N 0.432 121.772 121.300 0.067 0.000 2.379 53 W HA -0.106 4.271 4.660 -0.472 0.000 0.307 53 W C 2.088 178.708 176.519 0.169 0.000 1.200 53 W CA 2.005 59.423 57.345 0.121 0.000 1.297 53 W CB -0.369 29.114 29.460 0.040 0.000 1.140 53 W HN 0.191 nan 8.180 nan 0.000 0.507 54 A N 0.242 123.278 122.820 0.361 0.000 2.019 54 A HA -0.215 3.820 4.320 -0.474 0.000 0.219 54 A C 1.953 179.547 177.584 0.017 0.000 1.164 54 A CA 1.890 54.040 52.037 0.188 0.000 0.644 54 A CB -0.857 18.290 19.000 0.245 0.000 0.805 54 A HN 0.399 nan 8.150 nan 0.000 0.449 55 K N -0.496 119.919 120.400 0.025 0.000 2.147 55 K HA -0.066 3.969 4.320 -0.474 0.000 0.205 55 K C 1.954 178.500 176.600 -0.089 0.000 1.049 55 K CA 1.187 57.464 56.287 -0.017 0.000 0.936 55 K CB -0.215 32.288 32.500 0.005 0.000 0.722 55 K HN 0.426 nan 8.250 nan 0.000 0.446 56 A N -0.405 122.321 122.820 -0.157 0.000 1.956 56 A HA -0.019 4.017 4.320 -0.474 0.000 0.212 56 A C 1.619 178.917 177.584 -0.476 0.000 1.188 56 A CA 0.666 52.528 52.037 -0.292 0.000 0.675 56 A CB -0.368 18.439 19.000 -0.323 0.000 0.845 56 A HN 0.317 nan 8.150 nan 0.000 0.455 57 H N -1.406 117.339 119.070 -0.541 0.000 2.525 57 H HA 0.153 4.425 4.556 -0.473 0.000 0.275 57 H C 1.903 177.048 175.328 -0.306 0.000 0.984 57 H CA 0.979 56.679 56.048 -0.581 0.000 1.264 57 H CB 0.436 29.422 29.762 -1.295 0.000 1.432 57 H HN 0.616 nan 8.280 nan 0.000 0.549 58 G N 1.270 110.000 108.800 -0.116 0.000 2.299 58 G HA2 -0.266 3.410 3.960 -0.474 0.000 0.237 58 G HA3 -0.266 3.410 3.960 -0.474 0.000 0.237 58 G C -0.144 174.776 174.900 0.034 0.000 1.027 58 G CA 0.302 45.382 45.100 -0.034 0.000 0.619 58 G HN 0.392 nan 8.290 nan 0.000 0.513 59 D N 2.027 122.476 120.400 0.082 0.000 2.383 59 D HA 0.476 4.831 4.640 -0.474 0.000 0.252 59 D C 0.623 177.041 176.300 0.197 0.000 1.166 59 D CA 0.290 54.390 54.000 0.168 0.000 0.879 59 D CB 0.730 41.705 40.800 0.290 0.000 1.164 59 D HN 0.387 nan 8.370 nan 0.000 0.462 60 K N 1.237 121.716 120.400 0.132 0.000 2.379 60 K HA 0.298 4.333 4.320 -0.474 0.000 0.284 60 K C -0.691 175.981 176.600 0.121 0.000 1.044 60 K CA -0.434 55.922 56.287 0.114 0.000 0.974 60 K CB 0.923 33.467 32.500 0.072 0.000 0.962 60 K HN 0.176 nan 8.250 nan 0.000 0.474 61 V N 5.165 125.152 119.914 0.121 0.000 2.398 61 V HA 0.271 4.106 4.120 -0.474 0.000 0.286 61 V C -0.088 176.031 176.094 0.042 0.000 1.026 61 V CA -0.882 61.462 62.300 0.074 0.000 0.868 61 V CB 1.208 33.071 31.823 0.067 0.000 0.982 61 V HN 0.600 nan 8.190 nan 0.000 0.443 62 I N 5.508 126.095 120.570 0.028 0.000 2.354 62 I HA 0.412 4.298 4.170 -0.474 0.000 0.292 62 I C -0.132 176.004 176.117 0.032 0.000 0.989 62 I CA -0.473 60.847 61.300 0.033 0.000 1.188 62 I CB 1.736 39.765 38.000 0.047 0.000 1.342 62 I HN 0.261 nan 8.210 nan 0.000 0.457 63 V N 7.452 127.377 119.914 0.018 0.000 2.357 63 V HA 0.391 4.227 4.120 -0.474 0.000 0.284 63 V C 0.107 176.203 176.094 0.003 0.000 1.018 63 V CA -0.705 61.602 62.300 0.012 0.000 0.841 63 V CB 2.051 33.859 31.823 -0.025 0.000 0.991 63 V HN 0.412 nan 8.190 nan 0.000 0.437 64 V N 3.503 123.431 119.914 0.024 0.000 2.427 64 V HA 0.370 4.206 4.120 -0.474 0.000 0.286 64 V C -0.086 175.886 176.094 -0.204 0.000 1.034 64 V CA -0.570 61.670 62.300 -0.100 0.000 0.893 64 V CB 1.937 33.658 31.823 -0.170 0.000 0.982 64 V HN 0.861 nan 8.190 nan 0.000 0.452 65 D N 3.838 124.095 120.400 -0.239 0.000 2.365 65 D HA 0.186 4.541 4.640 -0.474 0.000 0.237 65 D C 0.535 176.559 176.300 -0.460 0.000 1.190 65 D CA -0.067 53.770 54.000 -0.273 0.000 0.867 65 D CB 1.322 42.011 40.800 -0.185 0.000 1.050 65 D HN 0.464 nan 8.370 nan 0.000 0.491 66 Q N 1.765 121.149 119.800 -0.693 0.000 2.247 66 Q HA 0.005 4.061 4.340 -0.474 0.000 0.204 66 Q C 1.650 177.098 176.000 -0.921 0.000 0.872 66 Q CA 0.020 55.202 55.803 -1.035 0.000 0.951 66 Q CB 0.483 28.112 28.738 -1.848 0.000 1.099 66 Q HN 0.592 nan 8.270 nan 0.000 0.501 67 S N -0.615 114.764 115.700 -0.535 0.000 2.419 67 S HA -0.072 4.114 4.470 -0.474 0.000 0.235 67 S C 1.678 176.145 174.600 -0.222 0.000 1.019 67 S CA 1.299 59.347 58.200 -0.253 0.000 0.982 67 S CB 0.005 63.148 63.200 -0.095 0.000 0.789 67 S HN 0.089 nan 8.310 nan 0.000 0.490 68 S N 1.529 117.071 115.700 -0.263 0.000 2.554 68 S HA 0.272 4.458 4.470 -0.474 0.000 0.226 68 S C 0.317 174.765 174.600 -0.254 0.000 0.980 68 S CA -0.614 57.456 58.200 -0.217 0.000 0.939 68 S CB -0.344 62.749 63.200 -0.178 0.000 0.832 68 S HN 0.598 nan 8.310 nan 0.000 0.486 69 N N 3.703 122.203 118.700 -0.333 0.000 2.411 69 N HA 0.018 4.474 4.740 -0.474 0.000 0.261 69 N C -1.435 173.916 175.510 -0.267 0.000 1.248 69 N CA -0.932 51.887 53.050 -0.385 0.000 0.885 69 N CB 1.184 39.352 38.487 -0.532 0.000 1.062 69 N HN 0.091 nan 8.380 nan 0.000 0.471 70 P HA -0.100 nan 4.420 nan 0.000 0.220 70 P C 0.376 177.608 177.300 -0.113 0.000 1.148 70 P CA 1.124 64.127 63.100 -0.162 0.000 0.803 70 P CB 0.432 32.046 31.700 -0.144 0.000 0.782 71 K N -0.233 120.091 120.400 -0.128 0.000 2.504 71 K HA 0.215 4.250 4.320 -0.474 0.000 0.195 71 K C 1.405 178.071 176.600 0.111 0.000 1.036 71 K CA 0.683 56.990 56.287 0.034 0.000 0.984 71 K CB -0.874 31.725 32.500 0.164 0.000 0.788 71 K HN 0.290 nan 8.250 nan 0.000 0.488 72 G N 0.310 109.126 108.800 0.027 0.000 2.645 72 G HA2 -0.332 3.344 3.960 -0.474 0.000 0.239 72 G HA3 -0.332 3.344 3.960 -0.474 0.000 0.239 72 G C 0.664 175.647 174.900 0.139 0.000 1.331 72 G CA 0.010 45.082 45.100 -0.047 0.000 0.890 72 G HN 0.162 nan 8.290 nan 0.000 0.572 73 F N -0.096 119.881 119.950 0.045 0.000 2.216 73 F HA -0.066 4.178 4.527 -0.471 0.000 0.300 73 F C 2.969 178.771 175.800 0.003 0.000 1.085 73 F CA 1.795 59.596 58.000 -0.332 0.000 1.326 73 F CB -0.064 38.688 39.000 -0.413 0.000 1.027 73 F HN 0.274 nan 8.300 nan 0.000 0.497 74 Q N -0.362 119.648 119.800 0.350 0.000 2.515 74 Q HA -0.130 3.926 4.340 -0.474 0.000 0.212 74 Q C 1.838 178.101 176.000 0.438 0.000 0.970 74 Q CA 0.473 56.540 55.803 0.439 0.000 0.941 74 Q CB -0.685 28.236 28.738 0.304 0.000 0.998 74 Q HN 0.466 nan 8.270 nan 0.000 0.518 75 F N 0.379 120.536 119.950 0.345 0.000 2.269 75 F HA -0.268 3.974 4.527 -0.475 0.000 0.301 75 F C 1.950 177.998 175.800 0.412 0.000 1.082 75 F CA 0.877 59.090 58.000 0.355 0.000 1.360 75 F CB -0.306 38.933 39.000 0.399 0.000 1.041 75 F HN 0.120 nan 8.300 nan 0.000 0.512 76 Y N 0.784 121.239 120.300 0.259 0.000 2.165 76 Y HA -0.221 4.043 4.550 -0.477 0.000 0.286 76 Y C 2.355 178.088 175.900 -0.278 0.000 1.155 76 Y CA 1.836 59.925 58.100 -0.019 0.000 1.164 76 Y CB -0.991 37.239 38.460 -0.384 0.000 0.978 76 Y HN 0.062 nan 8.280 nan 0.000 0.513 77 A N -0.702 121.935 122.820 -0.305 0.000 1.873 77 A HA -0.170 3.866 4.320 -0.474 0.000 0.215 77 A C 2.248 179.697 177.584 -0.225 0.000 1.186 77 A CA 2.237 54.141 52.037 -0.221 0.000 0.616 77 A CB -1.387 17.740 19.000 0.212 0.000 0.823 77 A HN 0.513 nan 8.150 nan 0.000 0.442 78 T N 0.468 114.938 114.554 -0.139 0.000 2.635 78 T HA -0.133 3.933 4.350 -0.474 0.000 0.267 78 T C 2.205 176.747 174.700 -0.264 0.000 1.040 78 T CA 2.016 64.040 62.100 -0.128 0.000 1.156 78 T CB -0.512 68.356 68.868 -0.001 0.000 0.863 78 T HN 0.614 nan 8.240 nan 0.000 0.430 79 A N 1.314 123.833 122.820 -0.502 0.000 1.873 79 A HA 0.266 4.302 4.320 -0.474 0.000 0.215 79 A C 2.672 180.026 177.584 -0.384 0.000 1.186 79 A CA 1.728 53.513 52.037 -0.421 0.000 0.616 79 A CB -1.182 17.573 19.000 -0.408 0.000 0.823 79 A HN 0.504 nan 8.150 nan 0.000 0.442 80 A N -0.155 122.310 122.820 -0.592 0.000 1.940 80 A HA -0.184 3.852 4.320 -0.474 0.000 0.219 80 A C 2.180 179.580 177.584 -0.307 0.000 1.176 80 A CA 1.617 53.323 52.037 -0.552 0.000 0.631 80 A CB -0.489 17.968 19.000 -0.906 0.000 0.814 80 A HN 0.546 nan 8.150 nan 0.000 0.446 81 R N -0.631 119.719 120.500 -0.251 0.000 2.159 81 R HA -0.101 3.954 4.340 -0.474 0.000 0.237 81 R C 1.802 178.040 176.300 -0.103 0.000 1.131 81 R CA 1.705 57.722 56.100 -0.138 0.000 0.982 81 R CB -0.409 29.834 30.300 -0.095 0.000 0.868 81 R HN 0.723 nan 8.270 nan 0.000 0.453 82 T N -3.877 110.609 114.554 -0.114 0.000 3.105 82 T HA 0.249 4.315 4.350 -0.474 0.000 0.253 82 T C 1.095 175.749 174.700 -0.077 0.000 1.047 82 T CA 0.241 62.297 62.100 -0.073 0.000 0.944 82 T CB 1.018 69.856 68.868 -0.050 0.000 1.016 82 T HN 0.327 nan 8.240 nan 0.000 0.544 83 G N 2.055 110.788 108.800 -0.111 0.000 2.160 83 G HA2 -0.261 3.414 3.960 -0.474 0.000 0.251 83 G HA3 -0.261 3.414 3.960 -0.474 0.000 0.251 83 G C 0.338 175.174 174.900 -0.105 0.000 1.008 83 G CA 0.332 45.370 45.100 -0.104 0.000 0.724 83 G HN 0.602 nan 8.290 nan 0.000 0.514 84 K N 0.142 120.466 120.400 -0.127 0.000 2.537 84 K HA 0.386 4.422 4.320 -0.474 0.000 0.206 84 K C 1.411 177.911 176.600 -0.166 0.000 1.041 84 K CA 0.089 56.325 56.287 -0.086 0.000 1.090 84 K CB 1.003 33.498 32.500 -0.009 0.000 0.833 84 K HN 0.369 nan 8.250 nan 0.000 0.493 85 G N 2.583 111.181 108.800 -0.337 0.000 2.580 85 G HA2 0.270 3.946 3.960 -0.474 0.000 0.278 85 G HA3 0.270 3.946 3.960 -0.474 0.000 0.278 85 G C -2.331 172.165 174.900 -0.673 0.000 1.212 85 G CA -0.958 43.756 45.100 -0.644 0.000 0.939 85 G HN -0.078 nan 8.290 nan 0.000 0.513 86 P HA 0.251 nan 4.420 nan 0.000 0.282 86 P C -0.267 176.778 177.300 -0.424 0.000 1.287 86 P CA -0.424 62.173 63.100 -0.837 0.000 0.792 86 P CB 1.775 32.637 31.700 -1.396 0.000 1.163 87 D N -1.119 119.092 120.400 -0.315 0.000 2.183 87 D HA 0.046 4.402 4.640 -0.474 0.000 0.205 87 D C 0.353 176.475 176.300 -0.297 0.000 0.962 87 D CA 1.311 55.167 54.000 -0.241 0.000 0.849 87 D CB 0.312 40.995 40.800 -0.196 0.000 0.978 87 D HN 0.063 nan 8.370 nan 0.000 0.488 88 V N 1.047 120.761 119.914 -0.333 0.000 2.789 88 V HA 0.322 4.158 4.120 -0.474 0.000 0.311 88 V C -0.233 175.628 176.094 -0.388 0.000 1.073 88 V CA -0.789 61.278 62.300 -0.389 0.000 0.921 88 V CB 2.993 34.615 31.823 -0.335 0.000 1.009 88 V HN -0.256 nan 8.190 nan 0.000 0.426 89 V N 4.200 123.739 119.914 -0.625 0.000 2.495 89 V HA 0.562 4.397 4.120 -0.474 0.000 0.298 89 V C -0.941 174.975 176.094 -0.298 0.000 1.031 89 V CA -0.547 61.423 62.300 -0.550 0.000 0.871 89 V CB 1.685 32.692 31.823 -1.360 0.000 0.988 89 V HN 0.713 nan 8.190 nan 0.000 0.432 90 F N 2.938 122.831 119.950 -0.095 0.000 2.540 90 F HA 0.736 4.982 4.527 -0.470 0.000 0.317 90 F C 0.690 176.557 175.800 0.111 0.000 1.104 90 F CA 0.441 58.430 58.000 -0.019 0.000 0.913 90 F CB 2.067 41.057 39.000 -0.017 0.000 1.170 90 F HN 0.767 nan 8.300 nan 0.000 0.450 91 G N 4.771 113.097 108.800 -0.790 0.000 2.171 91 G HA2 -0.267 3.409 3.960 -0.474 0.000 0.238 91 G HA3 -0.267 3.409 3.960 -0.474 0.000 0.238 91 G C -0.504 174.351 174.900 -0.075 0.000 1.039 91 G CA 0.079 44.930 45.100 -0.414 0.000 0.759 91 G HN 0.782 nan 8.290 nan 0.000 0.501 92 M N 1.032 120.566 119.600 -0.110 0.000 2.113 92 M HA 0.617 4.813 4.480 -0.474 0.000 0.352 92 M C -2.373 173.780 176.300 -0.244 0.000 1.170 92 M CA -2.806 52.407 55.300 -0.145 0.000 1.053 92 M CB 1.022 33.657 32.600 0.059 0.000 1.601 92 M HN -0.074 nan 8.290 nan 0.000 0.459 93 P HA 0.078 nan 4.420 nan 0.000 0.268 93 P C -0.311 176.772 177.300 -0.361 0.000 1.204 93 P CA 0.301 63.114 63.100 -0.478 0.000 0.768 93 P CB 0.313 31.500 31.700 -0.855 0.000 0.842 94 H N 2.794 121.742 119.070 -0.204 0.000 2.457 94 H HA -0.199 4.066 4.556 -0.485 0.000 0.297 94 H C 1.242 176.457 175.328 -0.189 0.000 1.092 94 H CA 1.859 57.812 56.048 -0.157 0.000 1.309 94 H CB -0.652 29.055 29.762 -0.091 0.000 1.382 94 H HN 0.389 nan 8.280 nan 0.000 0.535 95 D N 0.712 120.637 120.400 -0.792 0.000 2.178 95 D HA -0.219 4.137 4.640 -0.474 0.000 0.201 95 D C 1.251 177.344 176.300 -0.345 0.000 0.980 95 D CA 1.039 54.746 54.000 -0.489 0.000 0.842 95 D CB -0.437 40.166 40.800 -0.328 0.000 0.948 95 D HN 0.526 nan 8.370 nan 0.000 0.472 96 N N 0.970 119.414 118.700 -0.427 0.000 2.309 96 N HA -0.089 4.366 4.740 -0.474 0.000 0.182 96 N C 1.252 176.145 175.510 -1.028 0.000 1.018 96 N CA 0.575 53.264 53.050 -0.602 0.000 0.876 96 N CB -0.263 37.910 38.487 -0.523 0.000 0.972 96 N HN 0.261 nan 8.380 nan 0.000 0.434 97 N N 0.928 119.209 118.700 -0.698 0.000 2.453 97 N HA -0.071 4.385 4.740 -0.474 0.000 0.183 97 N C 1.805 177.003 175.510 -0.520 0.000 1.041 97 N CA 0.595 53.257 53.050 -0.645 0.000 0.900 97 N CB -0.606 37.672 38.487 -0.348 0.000 0.961 97 N HN 0.289 nan 8.380 nan 0.000 0.443 98 G N 0.716 109.267 108.800 -0.415 0.000 2.418 98 G HA2 -0.185 3.490 3.960 -0.474 0.000 0.217 98 G HA3 -0.185 3.490 3.960 -0.474 0.000 0.217 98 G C 1.670 176.388 174.900 -0.303 0.000 1.158 98 G CA 0.684 45.603 45.100 -0.302 0.000 0.771 98 G HN 0.199 nan 8.290 nan 0.000 0.545 99 V N 0.722 120.414 119.914 -0.370 0.000 2.270 99 V HA -0.129 3.707 4.120 -0.474 0.000 0.245 99 V C 2.547 178.592 176.094 -0.081 0.000 1.043 99 V CA 1.808 63.973 62.300 -0.225 0.000 1.014 99 V CB -0.813 30.883 31.823 -0.211 0.000 0.645 99 V HN 0.469 nan 8.190 nan 0.000 0.447 100 F N 0.724 120.598 119.950 -0.126 0.000 2.095 100 F HA -0.232 4.021 4.527 -0.457 0.000 0.298 100 F C 2.580 178.241 175.800 -0.232 0.000 1.104 100 F CA 0.977 58.909 58.000 -0.114 0.000 1.232 100 F CB -0.686 38.229 39.000 -0.142 0.000 0.987 100 F HN 0.172 nan 8.300 nan 0.000 0.475 101 A N 0.265 122.935 122.820 -0.250 0.000 1.873 101 A HA -0.245 3.791 4.320 -0.474 0.000 0.215 101 A C 2.105 179.493 177.584 -0.327 0.000 1.186 101 A CA 1.756 53.448 52.037 -0.575 0.000 0.616 101 A CB -0.946 17.419 19.000 -1.059 0.000 0.823 101 A HN 0.483 nan 8.150 nan 0.000 0.442 102 E N 0.168 120.237 120.200 -0.218 0.000 2.118 102 E HA -0.240 3.825 4.350 -0.474 0.000 0.195 102 E C 1.440 178.000 176.600 -0.067 0.000 0.992 102 E CA 1.526 57.853 56.400 -0.123 0.000 0.804 102 E CB -0.184 29.454 29.700 -0.105 0.000 0.741 102 E HN 0.738 nan 8.360 nan 0.000 0.458 103 E N -0.845 119.331 120.200 -0.040 0.000 2.489 103 E HA 0.078 4.143 4.350 -0.474 0.000 0.193 103 E C 0.635 177.232 176.600 -0.005 0.000 1.057 103 E CA 0.270 56.665 56.400 -0.009 0.000 0.866 103 E CB 0.374 30.086 29.700 0.019 0.000 0.916 103 E HN 0.495 nan 8.360 nan 0.000 0.500 104 G N 1.534 110.324 108.800 -0.017 0.000 2.198 104 G HA2 -0.279 3.397 3.960 -0.474 0.000 0.257 104 G HA3 -0.279 3.397 3.960 -0.474 0.000 0.257 104 G C 0.604 175.526 174.900 0.037 0.000 1.042 104 G CA 0.194 45.302 45.100 0.013 0.000 0.791 104 G HN 0.310 nan 8.290 nan 0.000 0.502 105 L N -1.306 119.945 121.223 0.047 0.000 2.607 105 L HA 0.431 4.487 4.340 -0.474 0.000 0.228 105 L C 1.377 178.353 176.870 0.177 0.000 1.123 105 L CA 0.261 55.159 54.840 0.096 0.000 0.890 105 L CB -0.004 42.115 42.059 0.101 0.000 1.103 105 L HN 0.313 nan 8.230 nan 0.000 0.468 106 M N 0.176 119.846 119.600 0.117 0.000 2.383 106 M HA 0.531 4.727 4.480 -0.474 0.000 0.325 106 M C -0.235 176.253 176.300 0.314 0.000 1.092 106 M CA -0.399 55.003 55.300 0.170 0.000 0.961 106 M CB 2.359 34.954 32.600 -0.008 0.000 1.672 106 M HN -0.066 nan 8.290 nan 0.000 0.438 107 A N 3.858 126.889 122.820 0.351 0.000 2.366 107 A HA 0.659 4.694 4.320 -0.474 0.000 0.272 107 A C -2.535 175.326 177.584 0.462 0.000 1.135 107 A CA -1.384 50.885 52.037 0.386 0.000 0.804 107 A CB -0.468 18.777 19.000 0.408 0.000 1.064 107 A HN 0.423 nan 8.150 nan 0.000 0.499 108 P HA 0.141 nan 4.420 nan 0.000 0.269 108 P C -0.331 176.918 177.300 -0.085 0.000 1.209 108 P CA -0.167 62.874 63.100 -0.099 0.000 0.776 108 P CB 0.508 32.064 31.700 -0.240 0.000 0.876 109 V N 5.631 125.383 119.914 -0.270 0.000 2.540 109 V HA 0.034 3.870 4.120 -0.474 0.000 0.297 109 V C -1.744 174.006 176.094 -0.575 0.000 1.024 109 V CA -0.812 61.093 62.300 -0.657 0.000 1.105 109 V CB -0.377 31.170 31.823 -0.460 0.000 0.938 109 V HN 0.603 nan 8.190 nan 0.000 0.482 110 P HA 0.106 nan 4.420 nan 0.000 0.269 110 P C -0.121 176.998 177.300 -0.301 0.000 1.209 110 P CA -0.140 62.702 63.100 -0.430 0.000 0.776 110 P CB 0.314 31.747 31.700 -0.445 0.000 0.876 111 S N 1.379 116.966 115.700 -0.188 0.000 2.558 111 S HA 0.289 4.475 4.470 -0.474 0.000 0.293 111 S C 1.421 175.954 174.600 -0.113 0.000 1.292 111 S CA 0.330 58.450 58.200 -0.132 0.000 1.063 111 S CB -0.438 62.708 63.200 -0.089 0.000 0.831 111 S HN 0.992 nan 8.310 nan 0.000 0.499 112 G N 1.657 110.404 108.800 -0.089 0.000 2.383 112 G HA2 -0.340 3.336 3.960 -0.474 0.000 0.229 112 G HA3 -0.340 3.336 3.960 -0.474 0.000 0.229 112 G C 0.784 175.654 174.900 -0.050 0.000 1.089 112 G CA 0.101 45.167 45.100 -0.056 0.000 0.640 112 G HN 1.129 nan 8.290 nan 0.000 0.510 113 V N 1.148 121.002 119.914 -0.101 0.000 2.453 113 V HA 0.031 3.867 4.120 -0.474 0.000 0.252 113 V C 1.574 177.661 176.094 -0.012 0.000 1.068 113 V CA 2.012 64.264 62.300 -0.080 0.000 1.070 113 V CB -0.292 31.398 31.823 -0.222 0.000 0.664 113 V HN 0.448 nan 8.190 nan 0.000 0.461 114 L N 0.783 121.990 121.223 -0.026 0.000 2.322 114 L HA 0.463 4.518 4.340 -0.474 0.000 0.281 114 L C -0.200 176.718 176.870 0.078 0.000 1.014 114 L CA -0.269 54.603 54.840 0.053 0.000 0.815 114 L CB 1.555 43.608 42.059 -0.010 0.000 1.247 114 L HN 0.106 nan 8.230 nan 0.000 0.421 115 N N 1.261 120.061 118.700 0.167 0.000 2.558 115 N HA 0.077 4.533 4.740 -0.474 0.000 0.242 115 N C 0.981 176.618 175.510 0.211 0.000 0.979 115 N CA -0.185 52.938 53.050 0.121 0.000 0.931 115 N CB 1.536 40.062 38.487 0.066 0.000 1.122 115 N HN 0.725 nan 8.380 nan 0.000 0.508 116 T N -0.122 114.525 114.554 0.156 0.000 2.822 116 T HA -0.114 3.951 4.350 -0.474 0.000 0.270 116 T C 1.742 176.557 174.700 0.191 0.000 1.064 116 T CA 1.338 63.551 62.100 0.188 0.000 1.131 116 T CB -0.354 68.560 68.868 0.078 0.000 0.858 116 T HN 0.408 nan 8.240 nan 0.000 0.483 117 G N 0.879 109.740 108.800 0.101 0.000 2.679 117 G HA2 0.153 3.829 3.960 -0.474 0.000 0.212 117 G HA3 0.153 3.829 3.960 -0.474 0.000 0.212 117 G C 1.276 176.176 174.900 -0.001 0.000 1.137 117 G CA 0.115 45.244 45.100 0.049 0.000 0.787 117 G HN 0.576 nan 8.290 nan 0.000 0.534 118 L N -0.704 120.479 121.223 -0.068 0.000 2.592 118 L HA 0.333 4.388 4.340 -0.474 0.000 0.227 118 L C -0.134 176.407 176.870 -0.548 0.000 1.127 118 L CA -0.175 54.465 54.840 -0.334 0.000 0.884 118 L CB -0.127 41.634 42.059 -0.497 0.000 1.065 118 L HN 0.131 nan 8.230 nan 0.000 0.457 119 Y N -0.999 119.320 120.300 0.032 0.000 2.605 119 Y HA 0.650 4.918 4.550 -0.470 0.000 0.343 119 Y C 0.402 176.328 175.900 0.043 0.000 1.036 119 Y CA -1.463 56.663 58.100 0.044 0.000 1.065 119 Y CB 0.962 39.447 38.460 0.042 0.000 1.288 119 Y HN -0.189 nan 8.280 nan 0.000 0.481 120 A N 1.684 124.645 122.820 0.234 0.000 2.445 120 A HA 0.324 4.359 4.320 -0.474 0.000 0.242 120 A C -1.852 175.805 177.584 0.122 0.000 1.075 120 A CA -1.078 51.048 52.037 0.148 0.000 0.777 120 A CB -0.160 18.930 19.000 0.149 0.000 1.013 120 A HN 0.654 nan 8.150 nan 0.000 0.493 121 P HA -0.196 nan 4.420 nan 0.000 0.215 121 P C 0.990 178.304 177.300 0.023 0.000 1.163 121 P CA 2.046 65.172 63.100 0.043 0.000 0.894 121 P CB -0.076 31.638 31.700 0.024 0.000 0.791 122 N N -1.754 116.959 118.700 0.021 0.000 2.289 122 N HA -0.103 4.353 4.740 -0.474 0.000 0.184 122 N C 1.418 176.907 175.510 -0.034 0.000 1.016 122 N CA 1.192 54.241 53.050 -0.003 0.000 0.872 122 N CB -0.342 38.152 38.487 0.013 0.000 0.973 122 N HN 0.196 nan 8.380 nan 0.000 0.433 123 T N 1.339 115.895 114.554 0.004 0.000 2.777 123 T HA -0.035 4.031 4.350 -0.474 0.000 0.266 123 T C 1.850 176.472 174.700 -0.129 0.000 1.040 123 T CA 0.603 62.681 62.100 -0.036 0.000 1.141 123 T CB 0.061 68.974 68.868 0.074 0.000 0.868 123 T HN 0.163 nan 8.240 nan 0.000 0.444 124 I N 1.726 122.236 120.570 -0.100 0.000 2.406 124 I HA -0.073 3.812 4.170 -0.474 0.000 0.249 124 I C 2.035 178.093 176.117 -0.099 0.000 1.122 124 I CA 1.146 62.364 61.300 -0.136 0.000 1.431 124 I CB -0.966 36.989 38.000 -0.076 0.000 1.087 124 I HN 0.200 nan 8.210 nan 0.000 0.424 125 D N 1.388 121.746 120.400 -0.071 0.000 2.149 125 D HA -0.137 4.218 4.640 -0.474 0.000 0.198 125 D C 2.191 178.443 176.300 -0.080 0.000 0.990 125 D CA 1.420 55.385 54.000 -0.058 0.000 0.839 125 D CB 0.042 40.818 40.800 -0.040 0.000 0.948 125 D HN 0.281 nan 8.370 nan 0.000 0.460 126 A N 0.927 123.653 122.820 -0.156 0.000 2.070 126 A HA -0.139 3.897 4.320 -0.474 0.000 0.220 126 A C 1.982 179.489 177.584 -0.128 0.000 1.159 126 A CA 1.020 52.891 52.037 -0.277 0.000 0.656 126 A CB -0.495 18.086 19.000 -0.698 0.000 0.800 126 A HN 0.364 nan 8.150 nan 0.000 0.453 127 I N -3.813 116.701 120.570 -0.095 0.000 3.956 127 I HA 0.312 4.198 4.170 -0.474 0.000 0.333 127 I C 0.101 176.229 176.117 0.020 0.000 1.302 127 I CA -0.410 60.874 61.300 -0.026 0.000 1.122 127 I CB 0.021 37.990 38.000 -0.050 0.000 1.013 127 I HN -0.122 nan 8.210 nan 0.000 0.405 128 K N 1.163 121.567 120.400 0.006 0.000 2.156 128 K HA 0.709 4.745 4.320 -0.474 0.000 0.271 128 K C -1.038 175.606 176.600 0.073 0.000 0.995 128 K CA -0.716 55.593 56.287 0.037 0.000 0.890 128 K CB 2.654 35.150 32.500 -0.007 0.000 1.073 128 K HN -0.020 nan 8.250 nan 0.000 0.454 129 V N 4.098 124.114 119.914 0.170 0.000 2.483 129 V HA 0.148 3.984 4.120 -0.474 0.000 0.297 129 V C -0.086 176.088 176.094 0.133 0.000 1.027 129 V CA -0.961 61.405 62.300 0.110 0.000 0.855 129 V CB 1.277 33.115 31.823 0.026 0.000 0.995 129 V HN 0.896 nan 8.190 nan 0.000 0.424 130 N N 3.986 122.712 118.700 0.044 0.000 2.735 130 N HA -0.223 4.233 4.740 -0.474 0.000 0.248 130 N C 1.207 176.737 175.510 0.032 0.000 1.083 130 N CA 1.463 54.532 53.050 0.032 0.000 0.703 130 N CB -0.957 37.557 38.487 0.045 0.000 1.005 130 N HN 1.552 nan 8.380 nan 0.000 0.550 131 G N -2.311 106.500 108.800 0.019 0.000 2.179 131 G HA2 -0.322 3.354 3.960 -0.474 0.000 0.260 131 G HA3 -0.322 3.354 3.960 -0.474 0.000 0.260 131 G C 0.201 175.083 174.900 -0.029 0.000 0.977 131 G CA 0.853 45.949 45.100 -0.007 0.000 0.641 131 G HN 0.499 nan 8.290 nan 0.000 0.533 132 T N 1.979 116.522 114.554 -0.019 0.000 2.795 132 T HA 0.626 4.692 4.350 -0.474 0.000 0.282 132 T C 0.641 175.211 174.700 -0.216 0.000 0.980 132 T CA -0.357 61.642 62.100 -0.168 0.000 1.012 132 T CB 1.150 69.838 68.868 -0.301 0.000 0.936 132 T HN 0.251 nan 8.240 nan 0.000 0.457 133 M N 3.606 123.050 119.600 -0.259 0.000 2.184 133 M HA 0.225 4.421 4.480 -0.474 0.000 0.351 133 M C -0.211 175.919 176.300 -0.283 0.000 1.395 133 M CA 0.175 55.364 55.300 -0.186 0.000 1.117 133 M CB 0.430 32.935 32.600 -0.159 0.000 1.708 133 M HN 0.785 nan 8.290 nan 0.000 0.468 134 Y N 0.317 120.608 120.300 -0.015 0.000 2.445 134 Y HA 0.159 4.423 4.550 -0.476 0.000 0.247 134 Y C 0.937 176.907 175.900 0.117 0.000 1.129 134 Y CA -0.278 57.840 58.100 0.029 0.000 1.251 134 Y CB 0.885 39.320 38.460 -0.042 0.000 1.176 134 Y HN 0.724 nan 8.280 nan 0.000 0.522 135 S N -1.370 114.468 115.700 0.231 0.000 2.625 135 S HA 0.668 4.854 4.470 -0.474 0.000 0.271 135 S C -1.394 173.317 174.600 0.186 0.000 1.161 135 S CA -0.889 57.489 58.200 0.298 0.000 0.820 135 S CB 1.695 65.044 63.200 0.249 0.000 1.137 135 S HN -0.234 nan 8.310 nan 0.000 0.470 136 V N 2.431 122.484 119.914 0.231 0.000 2.398 136 V HA 0.521 4.357 4.120 -0.474 0.000 0.286 136 V C -2.508 173.627 176.094 0.067 0.000 1.026 136 V CA -1.988 60.391 62.300 0.133 0.000 0.868 136 V CB 1.271 33.240 31.823 0.244 0.000 0.982 136 V HN 0.778 nan 8.190 nan 0.000 0.443 137 P HA 0.196 nan 4.420 nan 0.000 0.276 137 P C 0.240 177.614 177.300 0.123 0.000 1.230 137 P CA 0.278 63.361 63.100 -0.028 0.000 0.776 137 P CB 1.563 33.138 31.700 -0.208 0.000 0.888 138 V N 1.952 121.940 119.914 0.122 0.000 3.137 138 V HA 0.198 4.033 4.120 -0.474 0.000 0.236 138 V C 0.128 176.355 176.094 0.221 0.000 1.260 138 V CA 1.106 63.528 62.300 0.204 0.000 1.244 138 V CB 0.506 32.420 31.823 0.151 0.000 1.016 138 V HN 0.528 nan 8.190 nan 0.000 0.477 139 S N -0.287 115.505 115.700 0.154 0.000 2.588 139 S HA 0.742 4.928 4.470 -0.474 0.000 0.275 139 S C -1.026 173.667 174.600 0.154 0.000 1.130 139 S CA -0.224 58.077 58.200 0.168 0.000 0.855 139 S CB 2.144 65.448 63.200 0.174 0.000 1.116 139 S HN 0.554 nan 8.310 nan 0.000 0.472 140 V N -0.076 119.926 119.914 0.147 0.000 2.680 140 V HA 0.753 4.589 4.120 -0.474 0.000 0.309 140 V C -1.161 175.071 176.094 0.231 0.000 1.052 140 V CA -0.692 61.728 62.300 0.200 0.000 0.908 140 V CB 1.373 33.342 31.823 0.243 0.000 1.001 140 V HN 0.899 nan 8.190 nan 0.000 0.431 141 Q N 2.436 122.461 119.800 0.375 0.000 2.347 141 Q HA 0.819 4.874 4.340 -0.474 0.000 0.271 141 Q C -1.673 174.657 176.000 0.550 0.000 1.064 141 Q CA -0.845 55.233 55.803 0.459 0.000 0.800 141 Q CB 3.220 32.270 28.738 0.519 0.000 1.304 141 Q HN 0.712 nan 8.270 nan 0.000 0.438 142 V N 1.296 121.549 119.914 0.564 0.000 2.524 142 V HA 0.514 4.350 4.120 -0.474 0.000 0.297 142 V C -0.298 176.082 176.094 0.476 0.000 1.035 142 V CA -0.872 61.721 62.300 0.487 0.000 0.867 142 V CB 1.567 33.626 31.823 0.393 0.000 1.004 142 V HN 0.933 nan 8.190 nan 0.000 0.426 143 A N 3.839 126.974 122.820 0.525 0.000 2.520 143 A HA 0.755 4.790 4.320 -0.474 0.000 0.235 143 A C 0.497 178.375 177.584 0.491 0.000 1.065 143 A CA 0.889 53.281 52.037 0.592 0.000 0.764 143 A CB 0.364 19.843 19.000 0.798 0.000 1.002 143 A HN 1.746 nan 8.150 nan 0.000 0.502 144 A N 1.479 124.519 122.820 0.367 0.000 2.567 144 A HA 0.675 4.710 4.320 -0.474 0.000 0.289 144 A C -0.707 176.892 177.584 0.025 0.000 1.177 144 A CA -0.650 51.493 52.037 0.177 0.000 0.694 144 A CB 0.738 19.809 19.000 0.118 0.000 1.292 144 A HN 0.673 nan 8.150 nan 0.000 0.425 145 I N 1.277 121.781 120.570 -0.111 0.000 2.352 145 I HA 0.239 4.124 4.170 -0.474 0.000 0.290 145 I C -1.111 175.013 176.117 0.011 0.000 1.036 145 I CA 0.089 61.334 61.300 -0.091 0.000 1.336 145 I CB -0.057 37.869 38.000 -0.124 0.000 1.407 145 I HN 0.477 nan 8.210 nan 0.000 0.497 146 Y N 7.470 127.689 120.300 -0.135 0.000 2.328 146 Y HA 0.381 4.646 4.550 -0.475 0.000 0.337 146 Y C 0.114 176.106 175.900 0.153 0.000 1.008 146 Y CA -0.550 57.518 58.100 -0.053 0.000 1.129 146 Y CB 0.984 39.211 38.460 -0.389 0.000 1.185 146 Y HN 0.440 nan 8.280 nan 0.000 0.476 147 Y N -0.040 120.449 120.300 0.315 0.000 2.536 147 Y HA 0.503 4.768 4.550 -0.475 0.000 0.347 147 Y C -0.936 175.283 175.900 0.532 0.000 1.000 147 Y CA -2.169 56.191 58.100 0.434 0.000 1.051 147 Y CB 1.184 39.759 38.460 0.191 0.000 1.259 147 Y HN 0.599 nan 8.280 nan 0.000 0.468 148 N N 2.442 121.425 118.700 0.472 0.000 2.437 148 N HA 0.177 4.633 4.740 -0.474 0.000 0.243 148 N C 0.203 175.772 175.510 0.098 0.000 1.041 148 N CA -0.512 52.612 53.050 0.124 0.000 0.940 148 N CB 0.726 39.140 38.487 -0.123 0.000 1.133 148 N HN 0.780 nan 8.380 nan 0.000 0.506 149 K N 1.921 122.333 120.400 0.020 0.000 2.281 149 K HA -0.192 3.843 4.320 -0.474 0.000 0.203 149 K C 1.534 178.136 176.600 0.003 0.000 1.046 149 K CA 0.961 57.282 56.287 0.057 0.000 0.938 149 K CB 0.102 32.593 32.500 -0.016 0.000 0.737 149 K HN 0.384 nan 8.250 nan 0.000 0.458 150 K N 1.302 121.673 120.400 -0.048 0.000 2.148 150 K HA -0.052 3.984 4.320 -0.474 0.000 0.204 150 K C 1.559 178.071 176.600 -0.146 0.000 1.050 150 K CA 1.115 57.353 56.287 -0.080 0.000 0.942 150 K CB 0.126 32.571 32.500 -0.090 0.000 0.724 150 K HN 0.088 nan 8.250 nan 0.000 0.446 151 L N -0.973 120.126 121.223 -0.207 0.000 2.362 151 L HA 0.186 4.241 4.340 -0.474 0.000 0.204 151 L C 0.018 176.662 176.870 -0.376 0.000 1.060 151 L CA -0.086 54.446 54.840 -0.513 0.000 0.827 151 L CB 0.586 42.320 42.059 -0.541 0.000 1.027 151 L HN -0.221 nan 8.230 nan 0.000 0.474 152 V N 0.732 120.602 119.914 -0.073 0.000 2.266 152 V HA 0.206 4.041 4.120 -0.474 0.000 0.266 152 V C -1.753 174.419 176.094 0.131 0.000 1.036 152 V CA -0.890 61.435 62.300 0.042 0.000 0.828 152 V CB 0.934 32.809 31.823 0.087 0.000 1.081 152 V HN -0.033 nan 8.190 nan 0.000 0.449 153 P HA -0.134 nan 4.420 nan 0.000 0.215 153 P C 0.345 177.708 177.300 0.104 0.000 1.157 153 P CA 1.372 64.522 63.100 0.084 0.000 0.874 153 P CB 0.247 31.967 31.700 0.033 0.000 0.790 154 Q N -0.471 119.338 119.800 0.015 0.000 2.333 154 Q HA 0.330 4.386 4.340 -0.474 0.000 0.268 154 Q C -2.376 173.507 176.000 -0.194 0.000 1.007 154 Q CA -2.424 53.350 55.803 -0.048 0.000 0.810 154 Q CB 1.028 29.746 28.738 -0.033 0.000 1.264 154 Q HN 0.194 nan 8.270 nan 0.000 0.452 155 P HA 0.206 nan 4.420 nan 0.000 0.271 155 P C -2.469 174.663 177.300 -0.279 0.000 1.218 155 P CA -1.084 61.670 63.100 -0.576 0.000 0.780 155 P CB 0.252 31.421 31.700 -0.885 0.000 0.901 156 P HA 0.235 nan 4.420 nan 0.000 0.278 156 P C -0.083 177.168 177.300 -0.081 0.000 1.238 156 P CA -0.099 62.930 63.100 -0.117 0.000 0.794 156 P CB 1.484 33.131 31.700 -0.089 0.000 0.955 157 Q N -0.208 119.563 119.800 -0.048 0.000 2.342 157 Q HA 0.099 4.155 4.340 -0.474 0.000 0.261 157 Q C 0.696 176.686 176.000 -0.016 0.000 0.841 157 Q CA 0.383 56.170 55.803 -0.027 0.000 0.969 157 Q CB 0.604 29.334 28.738 -0.014 0.000 1.136 157 Q HN 0.628 nan 8.270 nan 0.000 0.528 158 T N -3.517 111.035 114.554 -0.002 0.000 2.948 158 T HA 0.134 4.200 4.350 -0.474 0.000 0.285 158 T C 0.253 175.013 174.700 0.099 0.000 1.019 158 T CA -0.898 61.221 62.100 0.032 0.000 1.013 158 T CB 1.431 70.318 68.868 0.031 0.000 1.117 158 T HN 0.327 nan 8.240 nan 0.000 0.533 159 W N 0.846 122.130 121.300 -0.026 0.000 2.358 159 W HA -0.111 4.265 4.660 -0.473 0.000 0.303 159 W C 2.190 178.779 176.519 0.118 0.000 1.208 159 W CA 1.587 58.957 57.345 0.042 0.000 1.274 159 W CB -0.662 28.819 29.460 0.035 0.000 1.138 159 W HN 0.924 nan 8.180 nan 0.000 0.515 160 A N 0.933 123.843 122.820 0.150 0.000 1.883 160 A HA -0.280 3.755 4.320 -0.474 0.000 0.217 160 A C 1.793 179.356 177.584 -0.036 0.000 1.186 160 A CA 2.160 54.236 52.037 0.064 0.000 0.624 160 A CB -1.057 17.997 19.000 0.091 0.000 0.822 160 A HN 0.496 nan 8.150 nan 0.000 0.444 161 E N -1.608 118.573 120.200 -0.032 0.000 2.106 161 E HA -0.157 3.909 4.350 -0.474 0.000 0.192 161 E C 1.792 178.304 176.600 -0.147 0.000 0.984 161 E CA 1.157 57.515 56.400 -0.070 0.000 0.806 161 E CB -0.282 29.388 29.700 -0.049 0.000 0.750 161 E HN 0.688 nan 8.360 nan 0.000 0.458 162 F N 1.572 121.299 119.950 -0.371 0.000 2.102 162 F HA -0.218 4.025 4.527 -0.472 0.000 0.298 162 F C 2.152 177.552 175.800 -0.666 0.000 1.105 162 F CA 1.065 58.715 58.000 -0.582 0.000 1.239 162 F CB -0.249 38.290 39.000 -0.769 0.000 0.991 162 F HN -0.221 nan 8.300 nan 0.000 0.474 163 V N 0.811 120.398 119.914 -0.544 0.000 2.332 163 V HA -0.348 3.487 4.120 -0.474 0.000 0.248 163 V C 2.354 178.325 176.094 -0.205 0.000 1.055 163 V CA 2.363 64.480 62.300 -0.306 0.000 1.038 163 V CB -0.728 31.064 31.823 -0.053 0.000 0.651 163 V HN 0.303 nan 8.190 nan 0.000 0.450 164 K N -0.242 120.051 120.400 -0.178 0.000 2.057 164 K HA -0.190 3.845 4.320 -0.474 0.000 0.207 164 K C 1.914 178.400 176.600 -0.190 0.000 1.049 164 K CA 1.762 57.976 56.287 -0.123 0.000 0.931 164 K CB -0.313 32.136 32.500 -0.085 0.000 0.714 164 K HN 0.471 nan 8.250 nan 0.000 0.440 165 D N 0.493 120.716 120.400 -0.295 0.000 2.149 165 D HA -0.070 4.286 4.640 -0.474 0.000 0.201 165 D C 1.881 177.942 176.300 -0.398 0.000 0.972 165 D CA 1.072 54.902 54.000 -0.284 0.000 0.835 165 D CB -0.074 40.549 40.800 -0.296 0.000 0.966 165 D HN 0.192 nan 8.370 nan 0.000 0.476 166 A N 1.249 123.615 122.820 -0.755 0.000 1.898 166 A HA -0.185 3.851 4.320 -0.474 0.000 0.216 166 A C 2.025 179.346 177.584 -0.439 0.000 1.181 166 A CA 1.266 52.739 52.037 -0.941 0.000 0.620 166 A CB -0.406 17.330 19.000 -2.108 0.000 0.819 166 A HN 0.087 nan 8.150 nan 0.000 0.442 167 N N 0.542 119.147 118.700 -0.160 0.000 2.084 167 N HA -0.095 4.361 4.740 -0.474 0.000 0.190 167 N C 1.902 177.386 175.510 -0.044 0.000 1.030 167 N CA 1.776 54.881 53.050 0.091 0.000 0.849 167 N CB -0.622 37.940 38.487 0.125 0.000 1.012 167 N HN 0.443 nan 8.380 nan 0.000 0.423 168 A N 0.067 122.791 122.820 -0.160 0.000 1.873 168 A HA -0.109 3.927 4.320 -0.474 0.000 0.215 168 A C 1.287 178.539 177.584 -0.552 0.000 1.186 168 A CA 1.361 53.192 52.037 -0.344 0.000 0.616 168 A CB -0.363 18.411 19.000 -0.377 0.000 0.823 168 A HN 0.407 nan 8.150 nan 0.000 0.442 169 H N -1.724 117.308 119.070 -0.063 0.000 2.923 169 H HA 0.374 4.646 4.556 -0.474 0.000 0.268 169 H C 0.801 176.110 175.328 -0.032 0.000 1.148 169 H CA 0.459 56.484 56.048 -0.038 0.000 1.146 169 H CB 0.241 29.984 29.762 -0.032 0.000 1.607 169 H HN 0.714 nan 8.280 nan 0.000 0.566 170 G N 1.427 110.227 108.800 0.000 0.000 2.692 170 G HA2 -0.106 3.570 3.960 -0.474 0.000 0.686 170 G HA3 -0.106 3.570 3.960 -0.474 0.000 0.686 170 G C -1.361 173.531 174.900 -0.014 0.000 1.243 170 G CA -0.513 44.591 45.100 0.006 0.000 0.782 170 G HN 0.227 nan 8.290 nan 0.000 0.625 171 F N 2.642 122.464 119.950 -0.213 0.000 2.604 171 F HA 0.842 5.084 4.527 -0.475 0.000 0.316 171 F C -0.525 175.306 175.800 0.052 0.000 1.136 171 F CA -1.177 56.696 58.000 -0.212 0.000 0.989 171 F CB 1.618 40.222 39.000 -0.661 0.000 1.258 171 F HN 0.710 nan 8.300 nan 0.000 0.451 172 M N 6.929 126.078 119.600 -0.751 0.000 2.520 172 M HA 0.523 4.719 4.480 -0.474 0.000 0.283 172 M C -1.664 174.391 176.300 -0.407 0.000 1.237 172 M CA -0.739 54.274 55.300 -0.479 0.000 0.885 172 M CB 3.187 35.717 32.600 -0.117 0.000 1.727 172 M HN 0.750 nan 8.290 nan 0.000 0.468 173 Y N -1.960 118.107 120.300 -0.388 0.000 2.788 173 Y HA 0.443 4.707 4.550 -0.476 0.000 0.335 173 Y C -1.291 174.567 175.900 -0.071 0.000 1.287 173 Y CA -1.272 56.699 58.100 -0.216 0.000 1.068 173 Y CB 0.836 39.163 38.460 -0.222 0.000 1.340 173 Y HN 0.564 nan 8.280 nan 0.000 0.449 174 D N 2.031 122.263 120.400 -0.279 0.000 2.671 174 D HA 0.026 4.382 4.640 -0.474 0.000 0.228 174 D C 1.141 177.163 176.300 -0.465 0.000 1.102 174 D CA 0.612 54.474 54.000 -0.230 0.000 1.044 174 D CB 0.317 41.111 40.800 -0.010 0.000 1.113 174 D HN 0.680 nan 8.370 nan 0.000 0.480 175 Q N 0.767 120.105 119.800 -0.770 0.000 2.197 175 Q HA -0.205 3.850 4.340 -0.474 0.000 0.207 175 Q C 1.208 177.109 176.000 -0.164 0.000 0.984 175 Q CA 1.601 56.967 55.803 -0.728 0.000 0.869 175 Q CB -0.077 28.476 28.738 -0.308 0.000 0.906 175 Q HN 0.254 nan 8.270 nan 0.000 0.426 176 A N 0.819 123.604 122.820 -0.060 0.000 2.345 176 A HA 0.106 4.142 4.320 -0.474 0.000 0.225 176 A C 0.307 177.951 177.584 0.099 0.000 1.243 176 A CA -0.318 51.731 52.037 0.020 0.000 0.875 176 A CB 0.075 19.070 19.000 -0.008 0.000 0.929 176 A HN 0.301 nan 8.150 nan 0.000 0.502 177 N N 0.967 119.780 118.700 0.188 0.000 2.420 177 N HA 0.173 4.628 4.740 -0.474 0.000 0.249 177 N C 0.669 176.448 175.510 0.449 0.000 1.033 177 N CA -0.477 52.766 53.050 0.321 0.000 0.944 177 N CB 0.892 39.643 38.487 0.440 0.000 1.113 177 N HN 0.124 nan 8.380 nan 0.000 0.502 178 L N 5.965 127.475 121.223 0.478 0.000 2.129 178 L HA -0.169 3.887 4.340 -0.474 0.000 0.212 178 L C 1.701 179.025 176.870 0.757 0.000 1.087 178 L CA 1.775 56.985 54.840 0.616 0.000 0.757 178 L CB -1.027 41.453 42.059 0.702 0.000 0.896 178 L HN 0.715 nan 8.230 nan 0.000 0.434 179 Y N -0.843 119.797 120.300 0.568 0.000 2.193 179 Y HA -0.320 3.942 4.550 -0.480 0.000 0.285 179 Y C 1.830 177.910 175.900 0.299 0.000 1.166 179 Y CA 2.192 60.525 58.100 0.388 0.000 1.181 179 Y CB -0.344 37.937 38.460 -0.298 0.000 0.976 179 Y HN 0.253 nan 8.280 nan 0.000 0.520 180 F N 0.089 120.360 119.950 0.534 0.000 2.317 180 F HA 0.035 4.281 4.527 -0.467 0.000 0.290 180 F C 2.152 178.310 175.800 0.597 0.000 1.075 180 F CA 1.076 59.416 58.000 0.567 0.000 1.380 180 F CB -0.813 38.646 39.000 0.765 0.000 1.093 180 F HN 0.151 nan 8.300 nan 0.000 0.524 181 D N -1.230 119.617 120.400 0.746 0.000 2.371 181 D HA -0.230 4.125 4.640 -0.474 0.000 0.221 181 D C 1.722 178.171 176.300 0.249 0.000 0.986 181 D CA 0.465 54.811 54.000 0.576 0.000 0.899 181 D CB -1.171 39.941 40.800 0.520 0.000 0.902 181 D HN 0.396 nan 8.370 nan 0.000 0.530 182 Y N 1.264 121.605 120.300 0.068 0.000 2.403 182 Y HA -0.013 4.260 4.550 -0.462 0.000 0.291 182 Y C 2.383 178.067 175.900 -0.360 0.000 1.143 182 Y CA 1.064 59.053 58.100 -0.185 0.000 1.257 182 Y CB -0.355 37.776 38.460 -0.548 0.000 0.984 182 Y HN 0.066 nan 8.280 nan 0.000 0.550 183 A N 0.453 123.005 122.820 -0.447 0.000 1.948 183 A HA -0.205 3.831 4.320 -0.474 0.000 0.220 183 A C 2.233 179.356 177.584 -0.768 0.000 1.177 183 A CA 2.178 53.735 52.037 -0.800 0.000 0.636 183 A CB -0.977 17.105 19.000 -1.529 0.000 0.815 183 A HN 0.586 nan 8.150 nan 0.000 0.449 184 I N -0.815 119.419 120.570 -0.561 0.000 2.333 184 I HA -0.149 3.737 4.170 -0.474 0.000 0.246 184 I C 2.252 178.222 176.117 -0.244 0.000 1.106 184 I CA 0.813 61.929 61.300 -0.306 0.000 1.411 184 I CB -0.329 37.613 38.000 -0.097 0.000 1.082 184 I HN 0.268 nan 8.210 nan 0.000 0.420 185 I N 1.174 121.533 120.570 -0.352 0.000 2.127 185 I HA -0.256 3.630 4.170 -0.474 0.000 0.241 185 I C 2.672 178.504 176.117 -0.475 0.000 1.075 185 I CA 1.937 62.996 61.300 -0.401 0.000 1.334 185 I CB -0.954 36.830 38.000 -0.360 0.000 1.040 185 I HN 0.275 nan 8.210 nan 0.000 0.405 186 G N 0.214 108.503 108.800 -0.851 0.000 2.422 186 G HA2 -0.157 3.518 3.960 -0.474 0.000 0.218 186 G HA3 -0.157 3.518 3.960 -0.474 0.000 0.218 186 G C 1.689 176.382 174.900 -0.345 0.000 1.140 186 G CA 0.733 45.455 45.100 -0.630 0.000 0.775 186 G HN 0.523 nan 8.290 nan 0.000 0.545 187 G N -0.514 108.071 108.800 -0.358 0.000 2.470 187 G HA2 -0.138 3.538 3.960 -0.474 0.000 0.220 187 G HA3 -0.138 3.538 3.960 -0.474 0.000 0.220 187 G C 1.202 175.881 174.900 -0.368 0.000 1.121 187 G CA 0.384 45.286 45.100 -0.329 0.000 0.766 187 G HN 0.470 nan 8.290 nan 0.000 0.553 188 Y N -0.095 120.040 120.300 -0.276 0.000 2.524 188 Y HA 0.377 4.641 4.550 -0.476 0.000 0.266 188 Y C 1.914 177.709 175.900 -0.175 0.000 1.180 188 Y CA -0.041 57.925 58.100 -0.223 0.000 1.244 188 Y CB 0.673 38.986 38.460 -0.246 0.000 1.125 188 Y HN 0.255 nan 8.280 nan 0.000 0.524 189 G N -0.567 108.191 108.800 -0.070 0.000 2.175 189 G HA2 -0.237 3.438 3.960 -0.474 0.000 0.244 189 G HA3 -0.237 3.438 3.960 -0.474 0.000 0.244 189 G C 0.787 175.711 174.900 0.041 0.000 0.982 189 G CA -0.127 44.966 45.100 -0.012 0.000 0.641 189 G HN 0.708 nan 8.290 nan 0.000 0.527 190 G N -0.445 108.317 108.800 -0.062 0.000 2.616 190 G HA2 0.767 4.442 3.960 -0.474 0.000 0.268 190 G HA3 0.767 4.442 3.960 -0.474 0.000 0.268 190 G C -0.356 174.581 174.900 0.061 0.000 1.213 190 G CA 0.108 45.138 45.100 -0.116 0.000 0.926 190 G HN 1.670 nan 8.290 nan 0.000 0.523 191 Y N -3.345 116.982 120.300 0.045 0.000 2.662 191 Y HA 0.508 4.764 4.550 -0.491 0.000 0.334 191 Y C 0.139 176.085 175.900 0.077 0.000 1.185 191 Y CA -1.251 56.955 58.100 0.176 0.000 1.074 191 Y CB 0.347 38.869 38.460 0.104 0.000 1.330 191 Y HN 0.321 nan 8.280 nan 0.000 0.458 192 V N 0.087 120.107 119.914 0.176 0.000 2.284 192 V HA 0.057 3.892 4.120 -0.474 0.000 0.236 192 V C -0.233 175.656 176.094 -0.342 0.000 1.044 192 V CA 1.054 63.180 62.300 -0.290 0.000 1.019 192 V CB -0.386 31.148 31.823 -0.482 0.000 0.657 192 V HN 0.605 nan 8.190 nan 0.000 0.465 193 F N 0.148 120.207 119.950 0.181 0.000 2.507 193 F HA 0.614 5.108 4.527 -0.055 0.000 0.325 193 F C 0.014 175.905 175.800 0.152 0.000 1.116 193 F CA -1.641 56.451 58.000 0.152 0.000 0.930 193 F CB 1.192 40.202 39.000 0.016 0.000 1.146 193 F HN -0.152 nan 8.300 nan 0.000 0.447 194 K N 1.835 122.405 120.400 0.284 0.000 2.472 194 K HA 0.016 4.052 4.320 -0.474 0.000 0.280 194 K C -0.829 175.755 176.600 -0.026 0.000 1.028 194 K CA 0.342 56.575 56.287 -0.090 0.000 1.045 194 K CB 0.137 32.584 32.500 -0.089 0.000 0.902 194 K HN 0.570 nan 8.250 nan 0.000 0.478 195 D N 4.000 124.350 120.400 -0.083 0.000 2.473 195 D HA 0.145 4.500 4.640 -0.474 0.000 0.226 195 D C -1.149 175.118 176.300 -0.055 0.000 1.089 195 D CA -0.536 53.444 54.000 -0.034 0.000 0.883 195 D CB 0.022 40.818 40.800 -0.006 0.000 1.029 195 D HN 0.560 nan 8.370 nan 0.000 0.517 196 N N 3.007 121.681 118.700 -0.044 0.000 2.443 196 N HA 0.234 4.690 4.740 -0.474 0.000 0.269 196 N C -0.466 175.025 175.510 -0.031 0.000 0.985 196 N CA -0.695 52.329 53.050 -0.043 0.000 0.921 196 N CB 1.181 39.642 38.487 -0.044 0.000 1.195 196 N HN 0.401 nan 8.380 nan 0.000 0.492 197 N N 1.674 120.357 118.700 -0.028 0.000 2.780 197 N HA -0.175 4.280 4.740 -0.474 0.000 0.247 197 N C 0.933 176.430 175.510 -0.021 0.000 1.076 197 N CA 1.478 54.514 53.050 -0.023 0.000 0.688 197 N CB -1.363 37.111 38.487 -0.023 0.000 0.957 197 N HN 1.087 nan 8.380 nan 0.000 0.551 198 G N -1.860 106.929 108.800 -0.019 0.000 2.205 198 G HA2 -0.334 3.341 3.960 -0.474 0.000 0.269 198 G HA3 -0.334 3.341 3.960 -0.474 0.000 0.269 198 G C 0.287 175.176 174.900 -0.017 0.000 0.977 198 G CA 1.074 46.165 45.100 -0.015 0.000 0.652 198 G HN 0.776 nan 8.290 nan 0.000 0.539 199 T N 1.532 116.073 114.554 -0.022 0.000 2.758 199 T HA 0.613 4.678 4.350 -0.474 0.000 0.285 199 T C 0.505 175.186 174.700 -0.030 0.000 0.981 199 T CA -0.545 61.538 62.100 -0.029 0.000 0.965 199 T CB 1.632 70.481 68.868 -0.033 0.000 0.927 199 T HN 0.308 nan 8.240 nan 0.000 0.448 200 L N 2.873 124.073 121.223 -0.039 0.000 2.371 200 L HA 0.382 4.437 4.340 -0.474 0.000 0.272 200 L C 0.448 177.274 176.870 -0.074 0.000 1.124 200 L CA -0.604 54.217 54.840 -0.033 0.000 0.816 200 L CB 0.575 42.610 42.059 -0.040 0.000 1.129 200 L HN 0.557 nan 8.230 nan 0.000 0.448 201 D N 4.355 124.739 120.400 -0.027 0.000 2.454 201 D HA 0.201 4.557 4.640 -0.474 0.000 0.225 201 D C -1.583 174.691 176.300 -0.044 0.000 1.081 201 D CA -2.137 51.841 54.000 -0.036 0.000 0.864 201 D CB 1.559 42.368 40.800 0.015 0.000 1.040 201 D HN 0.193 nan 8.370 nan 0.000 0.517 202 P HA -0.102 nan 4.420 nan 0.000 0.225 202 P C 0.580 177.883 177.300 0.005 0.000 1.148 202 P CA 0.612 63.474 63.100 -0.396 0.000 0.779 202 P CB 0.589 32.000 31.700 -0.482 0.000 0.780 203 N N -0.450 118.263 118.700 0.021 0.000 2.416 203 N HA -0.040 4.415 4.740 -0.474 0.000 0.177 203 N C 0.675 176.248 175.510 0.105 0.000 1.036 203 N CA 0.484 53.566 53.050 0.055 0.000 0.901 203 N CB -0.426 38.073 38.487 0.019 0.000 0.976 203 N HN 0.118 nan 8.380 nan 0.000 0.444 204 N N 1.525 120.319 118.700 0.156 0.000 2.767 204 N HA 0.238 4.694 4.740 -0.474 0.000 0.238 204 N C -1.014 174.682 175.510 0.310 0.000 1.083 204 N CA -0.129 53.042 53.050 0.202 0.000 0.964 204 N CB -0.013 38.584 38.487 0.183 0.000 1.252 204 N HN 0.050 nan 8.380 nan 0.000 0.512 205 I N 0.585 121.251 120.570 0.159 0.000 2.385 205 I HA 0.316 4.201 4.170 -0.474 0.000 0.294 205 I C 1.364 177.315 176.117 -0.276 0.000 0.988 205 I CA -0.607 60.683 61.300 -0.017 0.000 1.265 205 I CB 1.851 39.790 38.000 -0.102 0.000 1.388 205 I HN 0.472 nan 8.210 nan 0.000 0.480 206 G N 5.929 114.286 108.800 -0.738 0.000 3.899 206 G HA2 0.316 3.991 3.960 -0.474 0.000 0.293 206 G HA3 0.316 3.991 3.960 -0.474 0.000 0.293 206 G C 0.630 175.152 174.900 -0.629 0.000 1.054 206 G CA -0.163 44.187 45.100 -1.251 0.000 0.846 206 G HN 0.542 nan 8.290 nan 0.000 0.525 207 L N 0.548 121.554 121.223 -0.363 0.000 2.592 207 L HA 0.219 4.275 4.340 -0.474 0.000 0.227 207 L C 1.042 177.934 176.870 0.036 0.000 1.127 207 L CA 0.270 55.032 54.840 -0.129 0.000 0.884 207 L CB 0.372 42.306 42.059 -0.207 0.000 1.065 207 L HN 0.282 nan 8.230 nan 0.000 0.457 208 D N -1.600 118.760 120.400 -0.066 0.000 2.563 208 D HA 0.023 4.379 4.640 -0.474 0.000 0.237 208 D C 0.637 176.915 176.300 -0.037 0.000 1.282 208 D CA -0.060 53.951 54.000 0.018 0.000 0.816 208 D CB -0.057 40.747 40.800 0.006 0.000 1.066 208 D HN 0.066 nan 8.370 nan 0.000 0.501 209 T N -2.183 112.307 114.554 -0.108 0.000 2.816 209 T HA 0.294 4.359 4.350 -0.474 0.000 0.282 209 T C -1.672 172.981 174.700 -0.079 0.000 0.993 209 T CA -1.135 60.909 62.100 -0.094 0.000 0.994 209 T CB 1.767 70.561 68.868 -0.122 0.000 1.025 209 T HN -0.353 nan 8.240 nan 0.000 0.529 210 P HA -0.012 nan 4.420 nan 0.000 0.216 210 P C 1.806 179.061 177.300 -0.075 0.000 1.150 210 P CA 1.354 64.425 63.100 -0.047 0.000 0.843 210 P CB -0.435 31.251 31.700 -0.024 0.000 0.787 211 G N 0.045 108.804 108.800 -0.068 0.000 2.421 211 G HA2 -0.254 3.421 3.960 -0.474 0.000 0.216 211 G HA3 -0.254 3.421 3.960 -0.474 0.000 0.216 211 G C 1.667 176.455 174.900 -0.187 0.000 1.171 211 G CA 0.952 46.019 45.100 -0.055 0.000 0.775 211 G HN 0.316 nan 8.290 nan 0.000 0.543 212 A N 0.116 122.773 122.820 -0.272 0.000 1.908 212 A HA 0.047 4.083 4.320 -0.474 0.000 0.218 212 A C 2.594 179.709 177.584 -0.782 0.000 1.181 212 A CA 1.870 53.581 52.037 -0.544 0.000 0.627 212 A CB -0.645 18.094 19.000 -0.435 0.000 0.818 212 A HN 0.275 nan 8.150 nan 0.000 0.445 213 V N -0.084 119.611 119.914 -0.365 0.000 2.407 213 V HA -0.317 3.519 4.120 -0.474 0.000 0.248 213 V C 2.614 178.571 176.094 -0.228 0.000 1.055 213 V CA 2.208 64.409 62.300 -0.166 0.000 1.049 213 V CB -0.876 30.930 31.823 -0.028 0.000 0.662 213 V HN 0.637 nan 8.190 nan 0.000 0.455 214 Q N -0.353 119.265 119.800 -0.303 0.000 2.084 214 Q HA -0.182 3.873 4.340 -0.474 0.000 0.202 214 Q C 2.439 178.025 176.000 -0.691 0.000 0.978 214 Q CA 1.769 57.324 55.803 -0.414 0.000 0.844 214 Q CB -0.363 28.150 28.738 -0.375 0.000 0.898 214 Q HN 0.691 nan 8.270 nan 0.000 0.426 215 A N 0.176 122.528 122.820 -0.779 0.000 1.898 215 A HA -0.173 3.863 4.320 -0.474 0.000 0.216 215 A C 1.746 179.158 177.584 -0.287 0.000 1.181 215 A CA 1.099 52.724 52.037 -0.688 0.000 0.620 215 A CB -0.926 17.752 19.000 -0.537 0.000 0.819 215 A HN 0.458 nan 8.150 nan 0.000 0.442 216 Y N 0.220 120.429 120.300 -0.150 0.000 2.274 216 Y HA -0.179 4.084 4.550 -0.478 0.000 0.290 216 Y C 2.910 178.773 175.900 -0.062 0.000 1.145 216 Y CA 1.027 59.088 58.100 -0.065 0.000 1.203 216 Y CB -0.497 37.939 38.460 -0.040 0.000 0.984 216 Y HN 0.278 nan 8.280 nan 0.000 0.533 217 T N 0.597 115.165 114.554 0.023 0.000 2.777 217 T HA -0.178 3.887 4.350 -0.474 0.000 0.266 217 T C 1.819 176.515 174.700 -0.007 0.000 1.040 217 T CA 1.161 63.256 62.100 -0.009 0.000 1.141 217 T CB -0.459 68.368 68.868 -0.070 0.000 0.868 217 T HN 0.158 nan 8.240 nan 0.000 0.444 218 L N 0.786 121.963 121.223 -0.076 0.000 2.093 218 L HA 0.113 4.168 4.340 -0.474 0.000 0.208 218 L C 2.230 179.200 176.870 0.167 0.000 1.085 218 L CA 1.583 56.428 54.840 0.007 0.000 0.755 218 L CB -0.654 41.323 42.059 -0.137 0.000 0.904 218 L HN 0.251 nan 8.230 nan 0.000 0.435 219 M N -1.067 118.637 119.600 0.172 0.000 2.086 219 M HA -0.214 3.982 4.480 -0.474 0.000 0.261 219 M C 2.371 178.809 176.300 0.230 0.000 1.067 219 M CA 1.816 57.278 55.300 0.269 0.000 1.116 219 M CB -0.423 32.332 32.600 0.258 0.000 1.348 219 M HN 0.188 nan 8.290 nan 0.000 0.407 220 R N 1.060 121.653 120.500 0.156 0.000 2.081 220 R HA -0.141 3.914 4.340 -0.474 0.000 0.235 220 R C 1.341 177.717 176.300 0.126 0.000 1.131 220 R CA 1.927 58.098 56.100 0.118 0.000 0.960 220 R CB -0.872 29.472 30.300 0.073 0.000 0.856 220 R HN 0.260 nan 8.270 nan 0.000 0.436 221 D N -0.054 120.421 120.400 0.126 0.000 2.178 221 D HA -0.144 4.212 4.640 -0.474 0.000 0.201 221 D C 1.695 178.114 176.300 0.198 0.000 0.980 221 D CA 1.344 55.405 54.000 0.103 0.000 0.842 221 D CB -0.127 40.735 40.800 0.103 0.000 0.948 221 D HN 0.344 nan 8.370 nan 0.000 0.472 222 M N -0.269 119.532 119.600 0.335 0.000 2.446 222 M HA -0.097 4.099 4.480 -0.474 0.000 0.263 222 M C 1.682 178.145 176.300 0.271 0.000 1.066 222 M CA 0.586 56.109 55.300 0.372 0.000 1.087 222 M CB 0.326 33.309 32.600 0.638 0.000 1.406 222 M HN -0.060 nan 8.290 nan 0.000 0.459 223 V N -1.034 119.014 119.914 0.224 0.000 2.599 223 V HA -0.096 3.739 4.120 -0.474 0.000 0.237 223 V C 2.292 178.510 176.094 0.207 0.000 1.081 223 V CA 1.669 64.094 62.300 0.207 0.000 1.107 223 V CB -0.084 31.838 31.823 0.165 0.000 0.808 223 V HN 0.484 nan 8.190 nan 0.000 0.486 224 S N 0.195 115.973 115.700 0.131 0.000 2.428 224 S HA -0.169 4.017 4.470 -0.474 0.000 0.230 224 S C 1.869 176.467 174.600 -0.003 0.000 1.014 224 S CA 1.720 59.989 58.200 0.115 0.000 0.957 224 S CB -0.107 63.126 63.200 0.056 0.000 0.784 224 S HN 0.585 nan 8.310 nan 0.000 0.499 225 K N -0.326 119.951 120.400 -0.206 0.000 2.225 225 K HA 0.181 4.216 4.320 -0.474 0.000 0.204 225 K C 1.531 177.613 176.600 -0.864 0.000 1.047 225 K CA 0.251 56.226 56.287 -0.519 0.000 0.970 225 K CB -0.133 32.040 32.500 -0.545 0.000 0.939 225 K HN 0.400 nan 8.250 nan 0.000 0.472 226 Y N 0.183 120.118 120.300 -0.609 0.000 2.475 226 Y HA 0.036 4.302 4.550 -0.474 0.000 0.289 226 Y C 0.084 175.593 175.900 -0.652 0.000 1.121 226 Y CA 0.666 58.235 58.100 -0.884 0.000 1.257 226 Y CB 0.267 37.660 38.460 -1.777 0.000 1.026 226 Y HN 0.226 nan 8.280 nan 0.000 0.555 227 H N -3.521 115.477 119.070 -0.121 0.000 2.958 227 H HA -0.232 4.039 4.556 -0.474 0.000 0.274 227 H C 0.502 175.940 175.328 0.183 0.000 1.184 227 H CA 0.528 56.593 56.048 0.029 0.000 1.143 227 H CB -1.932 27.849 29.762 0.032 0.000 1.297 227 H HN 0.481 nan 8.280 nan 0.000 0.356 228 W N -0.123 121.369 121.300 0.320 0.000 2.467 228 W HA 0.199 4.573 4.660 -0.475 0.000 0.275 228 W C 1.303 177.938 176.519 0.194 0.000 1.239 228 W CA 0.577 58.072 57.345 0.250 0.000 1.266 228 W CB 0.072 29.722 29.460 0.316 0.000 1.112 228 W HN 0.177 nan 8.180 nan 0.000 0.576 229 M N -0.986 118.861 119.600 0.411 0.000 2.704 229 M HA 0.330 4.525 4.480 -0.474 0.000 0.284 229 M C 0.139 176.554 176.300 0.191 0.000 1.275 229 M CA -0.414 55.041 55.300 0.258 0.000 0.811 229 M CB 2.336 35.084 32.600 0.246 0.000 1.741 229 M HN -0.345 nan 8.290 nan 0.000 0.458 230 T N -3.505 111.124 114.554 0.126 0.000 2.940 230 T HA 0.528 4.593 4.350 -0.474 0.000 0.288 230 T C -2.538 172.207 174.700 0.074 0.000 1.045 230 T CA -1.853 60.300 62.100 0.088 0.000 1.018 230 T CB 1.619 70.520 68.868 0.055 0.000 1.151 230 T HN 0.285 nan 8.240 nan 0.000 0.529 231 P HA -0.092 nan 4.420 nan 0.000 0.219 231 P C 1.637 178.954 177.300 0.028 0.000 1.146 231 P CA 1.249 64.374 63.100 0.041 0.000 0.808 231 P CB -0.053 31.664 31.700 0.028 0.000 0.779 232 S N -3.007 112.709 115.700 0.025 0.000 2.496 232 S HA 0.006 4.192 4.470 -0.474 0.000 0.224 232 S C 0.928 175.537 174.600 0.014 0.000 0.996 232 S CA 0.250 58.460 58.200 0.016 0.000 0.927 232 S CB -1.498 61.710 63.200 0.013 0.000 0.774 232 S HN 0.024 nan 8.310 nan 0.000 0.524 233 T N 4.547 119.115 114.554 0.024 0.000 2.908 233 T HA 0.330 4.395 4.350 -0.474 0.000 0.301 233 T C 0.124 174.818 174.700 -0.009 0.000 1.019 233 T CA 0.123 62.232 62.100 0.016 0.000 1.152 233 T CB 0.077 68.967 68.868 0.038 0.000 0.966 233 T HN 0.821 nan 8.240 nan 0.000 0.540 234 N N 1.032 119.722 118.700 -0.016 0.000 3.278 234 N HA 0.514 4.969 4.740 -0.474 0.000 0.307 234 N C 1.346 176.843 175.510 -0.021 0.000 1.551 234 N CA -0.531 52.502 53.050 -0.028 0.000 0.794 234 N CB 0.147 38.630 38.487 -0.006 0.000 1.770 234 N HN 0.354 nan 8.380 nan 0.000 0.612 235 G N -0.278 108.517 108.800 -0.008 0.000 2.418 235 G HA2 -0.220 3.456 3.960 -0.474 0.000 0.217 235 G HA3 -0.220 3.456 3.960 -0.474 0.000 0.217 235 G C 0.978 175.905 174.900 0.045 0.000 1.158 235 G CA 1.290 46.399 45.100 0.015 0.000 0.771 235 G HN 0.518 nan 8.290 nan 0.000 0.545 236 S N 0.589 116.308 115.700 0.031 0.000 2.359 236 S HA -0.072 4.114 4.470 -0.474 0.000 0.224 236 S C 2.281 176.886 174.600 0.008 0.000 1.035 236 S CA 1.087 59.301 58.200 0.023 0.000 1.018 236 S CB -0.252 62.954 63.200 0.009 0.000 0.876 236 S HN 0.386 nan 8.310 nan 0.000 0.448 237 I N 1.669 122.239 120.570 0.001 0.000 2.226 237 I HA -0.204 3.681 4.170 -0.474 0.000 0.245 237 I C 2.733 178.839 176.117 -0.018 0.000 1.100 237 I CA 1.091 62.386 61.300 -0.007 0.000 1.374 237 I CB -0.547 37.452 38.000 -0.003 0.000 1.057 237 I HN 0.270 nan 8.210 nan 0.000 0.413 238 A N 0.782 123.596 122.820 -0.010 0.000 1.902 238 A HA -0.268 3.767 4.320 -0.474 0.000 0.217 238 A C 2.402 179.904 177.584 -0.136 0.000 1.181 238 A CA 1.981 54.005 52.037 -0.023 0.000 0.623 238 A CB -0.530 18.500 19.000 0.051 0.000 0.818 238 A HN 0.364 nan 8.150 nan 0.000 0.443 239 K N -0.360 119.983 120.400 -0.096 0.000 2.026 239 K HA -0.068 3.968 4.320 -0.474 0.000 0.208 239 K C 2.184 178.690 176.600 -0.157 0.000 1.048 239 K CA 1.218 57.373 56.287 -0.220 0.000 0.929 239 K CB -0.357 32.161 32.500 0.032 0.000 0.713 239 K HN 0.342 nan 8.250 nan 0.000 0.439 240 A N 1.627 124.403 122.820 -0.073 0.000 1.908 240 A HA -0.183 3.852 4.320 -0.474 0.000 0.218 240 A C 1.929 179.472 177.584 -0.068 0.000 1.181 240 A CA 1.677 53.681 52.037 -0.055 0.000 0.627 240 A CB -0.477 18.503 19.000 -0.033 0.000 0.818 240 A HN 0.385 nan 8.150 nan 0.000 0.445 241 E N -1.155 119.006 120.200 -0.066 0.000 2.110 241 E HA -0.166 3.899 4.350 -0.474 0.000 0.193 241 E C 1.782 178.335 176.600 -0.078 0.000 0.988 241 E CA 1.073 57.440 56.400 -0.056 0.000 0.804 241 E CB -0.414 29.269 29.700 -0.028 0.000 0.745 241 E HN 0.736 nan 8.360 nan 0.000 0.458 242 F N 1.277 121.046 119.950 -0.301 0.000 2.146 242 F HA -0.100 4.144 4.527 -0.472 0.000 0.298 242 F C 2.159 177.818 175.800 -0.234 0.000 1.096 242 F CA 0.939 58.732 58.000 -0.346 0.000 1.275 242 F CB -0.033 38.480 39.000 -0.811 0.000 1.008 242 F HN -0.094 nan 8.300 nan 0.000 0.480 243 L N -0.216 120.924 121.223 -0.139 0.000 2.362 243 L HA -0.109 3.946 4.340 -0.474 0.000 0.219 243 L C 2.307 179.081 176.870 -0.160 0.000 1.134 243 L CA 0.839 55.597 54.840 -0.136 0.000 0.807 243 L CB -0.866 41.160 42.059 -0.055 0.000 0.927 243 L HN 0.243 nan 8.230 nan 0.000 0.447 244 A N -0.606 122.122 122.820 -0.153 0.000 2.275 244 A HA 0.349 4.385 4.320 -0.474 0.000 0.212 244 A C 1.709 179.206 177.584 -0.145 0.000 1.201 244 A CA 0.604 52.569 52.037 -0.119 0.000 0.843 244 A CB -0.144 18.808 19.000 -0.080 0.000 0.873 244 A HN 0.451 nan 8.150 nan 0.000 0.492 245 G N -0.095 108.565 108.800 -0.234 0.000 2.160 245 G HA2 -0.299 3.377 3.960 -0.474 0.000 0.251 245 G HA3 -0.299 3.377 3.960 -0.474 0.000 0.251 245 G C 0.810 175.623 174.900 -0.145 0.000 1.008 245 G CA 0.873 45.831 45.100 -0.237 0.000 0.724 245 G HN 0.558 nan 8.290 nan 0.000 0.514 246 K N -0.540 119.793 120.400 -0.111 0.000 2.262 246 K HA 0.311 4.347 4.320 -0.474 0.000 0.200 246 K C 1.386 177.986 176.600 -0.001 0.000 1.049 246 K CA 1.186 57.449 56.287 -0.041 0.000 0.979 246 K CB 0.294 32.777 32.500 -0.029 0.000 0.773 246 K HN 0.774 nan 8.250 nan 0.000 0.474 247 I N -3.494 117.075 120.570 -0.001 0.000 2.569 247 I HA 0.435 4.321 4.170 -0.474 0.000 0.296 247 I C 0.716 176.912 176.117 0.131 0.000 1.028 247 I CA -0.928 60.421 61.300 0.081 0.000 1.082 247 I CB 2.072 40.135 38.000 0.105 0.000 1.264 247 I HN -0.110 nan 8.210 nan 0.000 0.429 248 G N 5.335 114.237 108.800 0.171 0.000 2.623 248 G HA2 0.291 3.966 3.960 -0.474 0.000 0.214 248 G HA3 0.291 3.966 3.960 -0.474 0.000 0.214 248 G C 0.395 175.549 174.900 0.423 0.000 1.138 248 G CA 0.142 45.370 45.100 0.212 0.000 0.794 248 G HN 0.563 nan 8.290 nan 0.000 0.535 249 M N -0.764 119.081 119.600 0.408 0.000 2.470 249 M HA 0.506 4.702 4.480 -0.474 0.000 0.285 249 M C -1.375 175.197 176.300 0.453 0.000 1.213 249 M CA -1.043 54.523 55.300 0.444 0.000 0.901 249 M CB 2.722 35.494 32.600 0.287 0.000 1.718 249 M HN 0.250 nan 8.290 nan 0.000 0.469 250 Y N -0.950 119.380 120.300 0.049 0.000 2.656 250 Y HA 0.804 5.070 4.550 -0.473 0.000 0.334 250 Y C -2.015 173.841 175.900 -0.074 0.000 1.179 250 Y CA -1.438 56.605 58.100 -0.094 0.000 1.050 250 Y CB 1.048 39.383 38.460 -0.210 0.000 1.308 250 Y HN 0.360 nan 8.280 nan 0.000 0.456 251 V N 2.905 122.646 119.914 -0.289 0.000 2.407 251 V HA 0.663 4.499 4.120 -0.474 0.000 0.278 251 V C -0.100 175.659 176.094 -0.559 0.000 1.037 251 V CA 0.207 62.298 62.300 -0.348 0.000 0.900 251 V CB 0.611 32.325 31.823 -0.182 0.000 0.983 251 V HN 0.906 nan 8.190 nan 0.000 0.459 252 S N 2.577 118.024 115.700 -0.421 0.000 2.873 252 S HA 0.898 5.084 4.470 -0.474 0.000 0.303 252 S C -0.325 174.012 174.600 -0.438 0.000 1.222 252 S CA 0.167 58.080 58.200 -0.479 0.000 0.923 252 S CB 1.573 64.019 63.200 -1.257 0.000 1.286 252 S HN 1.111 nan 8.310 nan 0.000 0.571 253 G N 0.228 108.176 108.800 -1.419 0.000 2.788 253 G HA2 0.565 4.241 3.960 -0.474 0.000 0.293 253 G HA3 0.565 4.241 3.960 -0.474 0.000 0.293 253 G C -2.783 171.273 174.900 -1.406 0.000 1.392 253 G CA -0.905 43.229 45.100 -1.609 0.000 0.810 253 G HN 0.408 nan 8.290 nan 0.000 0.508 254 P HA -0.038 nan 4.420 nan 0.000 0.226 254 P C 1.157 178.356 177.300 -0.168 0.000 1.146 254 P CA 1.138 64.106 63.100 -0.219 0.000 0.773 254 P CB -0.019 31.709 31.700 0.047 0.000 0.772 255 W N -1.196 120.131 121.300 0.044 0.000 2.611 255 W HA 0.027 4.402 4.660 -0.473 0.000 0.251 255 W C 0.577 177.087 176.519 -0.015 0.000 1.265 255 W CA 0.612 57.978 57.345 0.035 0.000 1.295 255 W CB -1.437 28.063 29.460 0.066 0.000 1.129 255 W HN -0.126 nan 8.180 nan 0.000 0.630 256 D N -0.045 120.194 120.400 -0.269 0.000 2.369 256 D HA -0.007 4.349 4.640 -0.474 0.000 0.211 256 D C 1.862 178.024 176.300 -0.230 0.000 1.077 256 D CA 0.821 54.710 54.000 -0.186 0.000 0.842 256 D CB -0.038 40.583 40.800 -0.299 0.000 0.947 256 D HN 0.014 nan 8.370 nan 0.000 0.509 257 T N 0.466 114.879 114.554 -0.234 0.000 2.635 257 T HA -0.221 3.845 4.350 -0.474 0.000 0.267 257 T C 2.039 176.672 174.700 -0.111 0.000 1.040 257 T CA 1.752 63.733 62.100 -0.199 0.000 1.156 257 T CB -0.201 68.634 68.868 -0.055 0.000 0.863 257 T HN 0.214 nan 8.240 nan 0.000 0.430 258 A N 2.111 124.910 122.820 -0.035 0.000 1.865 258 A HA -0.201 3.834 4.320 -0.474 0.000 0.217 258 A C 2.147 179.727 177.584 -0.007 0.000 1.191 258 A CA 1.999 54.036 52.037 -0.000 0.000 0.623 258 A CB -0.779 18.235 19.000 0.024 0.000 0.826 258 A HN 0.401 nan 8.150 nan 0.000 0.444 259 D N -0.218 120.175 120.400 -0.012 0.000 2.178 259 D HA -0.082 4.273 4.640 -0.474 0.000 0.202 259 D C 1.878 178.170 176.300 -0.013 0.000 0.974 259 D CA 1.019 55.017 54.000 -0.003 0.000 0.841 259 D CB -0.304 40.505 40.800 0.014 0.000 0.953 259 D HN 0.546 nan 8.370 nan 0.000 0.478 260 I N 1.147 121.684 120.570 -0.055 0.000 2.202 260 I HA -0.216 3.670 4.170 -0.474 0.000 0.242 260 I C 2.222 178.338 176.117 -0.001 0.000 1.091 260 I CA 1.096 62.366 61.300 -0.051 0.000 1.368 260 I CB -0.164 37.678 38.000 -0.264 0.000 1.058 260 I HN -0.044 nan 8.210 nan 0.000 0.410 261 E N 0.698 120.902 120.200 0.007 0.000 2.150 261 E HA -0.255 3.810 4.350 -0.474 0.000 0.193 261 E C 2.093 178.724 176.600 0.052 0.000 0.985 261 E CA 0.859 57.314 56.400 0.092 0.000 0.814 261 E CB -0.082 29.686 29.700 0.114 0.000 0.752 261 E HN 0.374 nan 8.360 nan 0.000 0.466 262 K N 0.996 121.411 120.400 0.026 0.000 2.148 262 K HA -0.077 3.959 4.320 -0.474 0.000 0.204 262 K C 1.890 178.494 176.600 0.007 0.000 1.050 262 K CA 1.084 57.380 56.287 0.015 0.000 0.942 262 K CB -0.018 32.487 32.500 0.009 0.000 0.724 262 K HN 0.053 nan 8.250 nan 0.000 0.446 263 A N 0.980 123.801 122.820 0.002 0.000 2.235 263 A HA 0.016 4.052 4.320 -0.474 0.000 0.208 263 A C 0.168 177.743 177.584 -0.016 0.000 1.172 263 A CA 0.647 52.675 52.037 -0.016 0.000 0.786 263 A CB -0.239 18.741 19.000 -0.033 0.000 0.804 263 A HN 0.448 nan 8.150 nan 0.000 0.479 264 K N -0.905 119.502 120.400 0.012 0.000 3.129 264 K HA -0.131 3.905 4.320 -0.474 0.000 0.273 264 K C -0.606 176.004 176.600 0.015 0.000 1.123 264 K CA 0.571 56.870 56.287 0.020 0.000 0.800 264 K CB -1.526 30.974 32.500 0.001 0.000 1.238 264 K HN 0.406 nan 8.250 nan 0.000 0.492 265 I N 1.466 122.058 120.570 0.037 0.000 2.371 265 I HA 0.023 3.909 4.170 -0.474 0.000 0.290 265 I C 0.801 177.004 176.117 0.143 0.000 1.028 265 I CA -0.242 61.070 61.300 0.020 0.000 1.345 265 I CB 0.997 38.969 38.000 -0.047 0.000 1.407 265 I HN 0.052 nan 8.210 nan 0.000 0.501 266 D N 7.811 128.242 120.400 0.052 0.000 2.508 266 D HA 0.126 4.482 4.640 -0.474 0.000 0.224 266 D C -0.231 176.077 176.300 0.012 0.000 1.171 266 D CA -0.248 53.763 54.000 0.017 0.000 1.006 266 D CB -0.394 40.384 40.800 -0.038 0.000 1.073 266 D HN 0.261 nan 8.370 nan 0.000 0.513 267 F N 0.775 120.700 119.950 -0.042 0.000 2.378 267 F HA 0.823 5.065 4.527 -0.474 0.000 0.325 267 F C 0.450 176.083 175.800 -0.278 0.000 1.097 267 F CA -0.837 57.121 58.000 -0.070 0.000 1.079 267 F CB 1.145 40.254 39.000 0.182 0.000 1.240 267 F HN 0.113 nan 8.300 nan 0.000 0.519 268 G N 0.538 108.947 108.800 -0.651 0.000 2.658 268 G HA2 0.634 4.310 3.960 -0.474 0.000 0.292 268 G HA3 0.634 4.310 3.960 -0.474 0.000 0.292 268 G C -2.145 172.484 174.900 -0.452 0.000 1.320 268 G CA -1.091 43.487 45.100 -0.869 0.000 0.933 268 G HN 0.742 nan 8.290 nan 0.000 0.476 269 V N -0.330 119.505 119.914 -0.132 0.000 2.656 269 V HA 0.821 4.657 4.120 -0.474 0.000 0.307 269 V C -0.099 176.062 176.094 0.111 0.000 1.051 269 V CA -0.586 61.622 62.300 -0.154 0.000 0.893 269 V CB 1.743 33.374 31.823 -0.320 0.000 0.999 269 V HN 0.933 nan 8.190 nan 0.000 0.426 270 T N 5.048 119.646 114.554 0.073 0.000 2.894 270 T HA 0.588 4.654 4.350 -0.474 0.000 0.309 270 T C -2.965 171.740 174.700 0.009 0.000 1.208 270 T CA -1.504 60.624 62.100 0.048 0.000 1.016 270 T CB 2.529 71.380 68.868 -0.030 0.000 1.192 270 T HN 0.414 nan 8.240 nan 0.000 0.491 271 P HA 0.198 nan 4.420 nan 0.000 0.271 271 P C -0.670 176.677 177.300 0.078 0.000 1.233 271 P CA -0.255 62.899 63.100 0.089 0.000 0.789 271 P CB 0.352 32.108 31.700 0.093 0.000 0.951 272 W N 2.429 123.704 121.300 -0.041 0.000 2.170 272 W HA 0.103 4.481 4.660 -0.470 0.000 0.342 272 W C -1.425 175.002 176.519 -0.154 0.000 1.294 272 W CA -0.508 56.763 57.345 -0.124 0.000 1.246 272 W CB -0.833 28.564 29.460 -0.106 0.000 1.156 272 W HN 0.355 nan 8.180 nan 0.000 0.572 273 P HA 0.112 nan 4.420 nan 0.000 0.276 273 P C -0.275 177.029 177.300 0.007 0.000 1.261 273 P CA -0.262 62.804 63.100 -0.058 0.000 0.800 273 P CB 0.559 32.115 31.700 -0.239 0.000 1.066 274 T N -0.964 113.556 114.554 -0.056 0.000 2.860 274 T HA 0.343 4.409 4.350 -0.474 0.000 0.299 274 T C 0.823 175.510 174.700 -0.022 0.000 1.045 274 T CA -0.561 61.430 62.100 -0.182 0.000 1.071 274 T CB -0.029 68.641 68.868 -0.331 0.000 0.985 274 T HN 0.186 nan 8.240 nan 0.000 0.537 275 L N 1.912 123.036 121.223 -0.165 0.000 2.488 275 L HA 0.317 4.373 4.340 -0.474 0.000 0.249 275 L C -1.286 175.387 176.870 -0.328 0.000 1.151 275 L CA -2.537 52.147 54.840 -0.262 0.000 0.806 275 L CB 0.372 42.209 42.059 -0.370 0.000 1.261 275 L HN 0.413 nan 8.230 nan 0.000 0.484 276 P HA -0.129 nan 4.420 nan 0.000 0.221 276 P C 0.508 177.680 177.300 -0.214 0.000 1.145 276 P CA 1.266 64.111 63.100 -0.425 0.000 0.795 276 P CB -0.123 31.277 31.700 -0.501 0.000 0.775 277 N N -1.940 116.573 118.700 -0.313 0.000 2.398 277 N HA 0.055 4.511 4.740 -0.474 0.000 0.188 277 N C 1.159 176.507 175.510 -0.269 0.000 1.122 277 N CA 0.540 53.404 53.050 -0.309 0.000 0.866 277 N CB -0.468 37.692 38.487 -0.544 0.000 0.970 277 N HN 0.019 nan 8.380 nan 0.000 0.462 278 G N 0.385 109.040 108.800 -0.242 0.000 2.184 278 G HA2 -0.269 3.407 3.960 -0.474 0.000 0.264 278 G HA3 -0.269 3.407 3.960 -0.474 0.000 0.264 278 G C -0.121 174.601 174.900 -0.297 0.000 0.975 278 G CA 0.178 45.150 45.100 -0.213 0.000 0.642 278 G HN 0.284 nan 8.290 nan 0.000 0.536 279 K N 0.508 120.690 120.400 -0.362 0.000 2.095 279 K HA 0.472 4.508 4.320 -0.474 0.000 0.252 279 K C 0.296 176.626 176.600 -0.451 0.000 0.977 279 K CA -0.804 55.254 56.287 -0.382 0.000 0.900 279 K CB 0.512 32.793 32.500 -0.365 0.000 1.060 279 K HN 0.340 nan 8.250 nan 0.000 0.449 280 H N 0.201 119.028 119.070 -0.405 0.000 2.652 280 H HA 0.172 4.443 4.556 -0.475 0.000 0.349 280 H C 0.025 175.088 175.328 -0.442 0.000 1.099 280 H CA -0.134 55.601 56.048 -0.521 0.000 1.417 280 H CB 1.122 30.226 29.762 -1.098 0.000 1.457 280 H HN 0.625 nan 8.280 nan 0.000 0.568 281 A N 2.198 124.871 122.820 -0.246 0.000 2.386 281 A HA 0.222 4.258 4.320 -0.474 0.000 0.248 281 A C 0.589 177.975 177.584 -0.331 0.000 1.082 281 A CA -0.094 51.715 52.037 -0.381 0.000 0.789 281 A CB 0.004 18.684 19.000 -0.534 0.000 1.025 281 A HN 0.781 nan 8.150 nan 0.000 0.490 282 T N 0.547 114.865 114.554 -0.394 0.000 3.390 282 T HA 0.500 4.566 4.350 -0.474 0.000 0.315 282 T C -2.495 172.065 174.700 -0.233 0.000 1.799 282 T CA -1.621 60.342 62.100 -0.227 0.000 1.553 282 T CB 0.243 68.997 68.868 -0.190 0.000 1.002 282 T HN 0.496 nan 8.240 nan 0.000 0.715 283 P HA 0.176 nan 4.420 nan 0.000 0.270 283 P C -0.264 177.063 177.300 0.045 0.000 1.223 283 P CA -0.493 62.553 63.100 -0.092 0.000 0.785 283 P CB 0.597 32.361 31.700 0.107 0.000 0.923 284 F N 0.590 120.571 119.950 0.052 0.000 2.450 284 F HA 0.161 4.402 4.527 -0.477 0.000 0.339 284 F C 1.066 176.950 175.800 0.140 0.000 1.146 284 F CA 0.043 58.077 58.000 0.057 0.000 1.267 284 F CB -0.035 38.933 39.000 -0.052 0.000 1.178 284 F HN 0.118 nan 8.300 nan 0.000 0.585 285 L N 2.227 123.707 121.223 0.429 0.000 2.282 285 L HA 0.731 4.787 4.340 -0.474 0.000 0.288 285 L C -0.172 176.946 176.870 0.414 0.000 1.033 285 L CA -0.051 55.004 54.840 0.358 0.000 0.807 285 L CB 0.845 43.054 42.059 0.250 0.000 1.209 285 L HN 0.547 nan 8.230 nan 0.000 0.423 286 G N 4.446 113.504 108.800 0.430 0.000 2.461 286 G HA2 0.612 4.287 3.960 -0.474 0.000 0.323 286 G HA3 0.612 4.287 3.960 -0.474 0.000 0.323 286 G C -1.613 173.499 174.900 0.352 0.000 1.229 286 G CA -0.519 44.840 45.100 0.432 0.000 0.941 286 G HN 0.512 nan 8.290 nan 0.000 0.477 287 V N 3.866 124.029 119.914 0.414 0.000 2.409 287 V HA 0.308 4.144 4.120 -0.474 0.000 0.291 287 V C -0.246 175.934 176.094 0.143 0.000 1.020 287 V CA -0.933 61.472 62.300 0.175 0.000 0.848 287 V CB 1.395 33.188 31.823 -0.051 0.000 0.990 287 V HN 0.544 nan 8.190 nan 0.000 0.430 288 I N 5.006 125.621 120.570 0.074 0.000 2.441 288 I HA 0.394 4.280 4.170 -0.474 0.000 0.287 288 I C 0.757 176.844 176.117 -0.050 0.000 1.049 288 I CA 0.466 61.750 61.300 -0.026 0.000 1.381 288 I CB 1.400 39.372 38.000 -0.045 0.000 1.409 288 I HN 0.822 nan 8.210 nan 0.000 0.523 289 T N 2.777 117.288 114.554 -0.072 0.000 2.926 289 T HA 0.912 4.978 4.350 -0.474 0.000 0.289 289 T C -0.605 174.056 174.700 -0.065 0.000 1.054 289 T CA -0.842 61.252 62.100 -0.011 0.000 1.015 289 T CB 2.420 71.351 68.868 0.104 0.000 1.167 289 T HN 0.715 nan 8.240 nan 0.000 0.526 290 A N 1.318 124.169 122.820 0.052 0.000 2.449 290 A HA 0.897 4.933 4.320 -0.474 0.000 0.302 290 A C -0.954 176.741 177.584 0.184 0.000 1.048 290 A CA -1.010 51.039 52.037 0.020 0.000 0.708 290 A CB 0.838 19.900 19.000 0.103 0.000 1.274 290 A HN 1.338 nan 8.150 nan 0.000 0.410 291 F N -0.143 119.762 119.950 -0.074 0.000 2.789 291 F HA 0.830 5.078 4.527 -0.465 0.000 0.319 291 F C -1.424 174.127 175.800 -0.414 0.000 1.168 291 F CA -1.315 56.597 58.000 -0.146 0.000 0.934 291 F CB 0.995 39.991 39.000 -0.007 0.000 1.375 291 F HN 0.371 nan 8.300 nan 0.000 0.480 292 V N 1.858 121.643 119.914 -0.216 0.000 2.604 292 V HA 0.355 4.190 4.120 -0.474 0.000 0.305 292 V C -0.578 175.527 176.094 0.018 0.000 1.043 292 V CA -0.879 61.181 62.300 -0.400 0.000 0.888 292 V CB 1.487 32.719 31.823 -0.985 0.000 0.995 292 V HN 0.804 nan 8.190 nan 0.000 0.429 293 N N 2.931 121.616 118.700 -0.025 0.000 2.483 293 N HA 0.028 4.484 4.740 -0.474 0.000 0.264 293 N C 0.896 176.454 175.510 0.080 0.000 1.197 293 N CA 0.029 53.149 53.050 0.117 0.000 0.927 293 N CB 1.233 39.741 38.487 0.036 0.000 1.065 293 N HN 0.682 nan 8.380 nan 0.000 0.461 294 K N 2.898 123.375 120.400 0.129 0.000 2.281 294 K HA -0.131 3.904 4.320 -0.474 0.000 0.203 294 K C 1.279 177.913 176.600 0.058 0.000 1.046 294 K CA 1.457 57.810 56.287 0.110 0.000 0.938 294 K CB 0.036 32.605 32.500 0.115 0.000 0.737 294 K HN 0.717 nan 8.250 nan 0.000 0.458 295 E N -0.184 120.030 120.200 0.023 0.000 2.478 295 E HA 0.014 4.079 4.350 -0.474 0.000 0.194 295 E C -0.426 176.162 176.600 -0.020 0.000 1.045 295 E CA -0.163 56.233 56.400 -0.007 0.000 0.868 295 E CB 0.204 29.881 29.700 -0.038 0.000 0.885 295 E HN 0.195 nan 8.360 nan 0.000 0.505 296 S N 0.456 116.139 115.700 -0.028 0.000 2.560 296 S HA 0.023 4.209 4.470 -0.474 0.000 0.284 296 S C 0.728 175.319 174.600 -0.015 0.000 1.327 296 S CA -0.067 58.105 58.200 -0.046 0.000 1.055 296 S CB 0.767 63.916 63.200 -0.085 0.000 0.868 296 S HN 0.195 nan 8.310 nan 0.000 0.506 297 K N 1.742 122.135 120.400 -0.012 0.000 2.426 297 K HA 0.039 4.075 4.320 -0.474 0.000 0.193 297 K C 0.660 177.274 176.600 0.023 0.000 1.028 297 K CA 0.663 56.956 56.287 0.009 0.000 1.047 297 K CB 0.171 32.676 32.500 0.009 0.000 0.821 297 K HN 0.757 nan 8.250 nan 0.000 0.513 298 T N -2.170 112.392 114.554 0.014 0.000 3.516 298 T HA 0.208 4.274 4.350 -0.474 0.000 0.245 298 T C 0.681 175.397 174.700 0.027 0.000 1.077 298 T CA -0.593 61.529 62.100 0.037 0.000 1.222 298 T CB 0.662 69.558 68.868 0.046 0.000 1.045 298 T HN -0.041 nan 8.240 nan 0.000 0.585 299 Q N 0.780 120.606 119.800 0.043 0.000 2.170 299 Q HA -0.031 4.025 4.340 -0.474 0.000 0.203 299 Q C 2.524 178.624 176.000 0.167 0.000 0.976 299 Q CA 1.590 57.423 55.803 0.051 0.000 0.858 299 Q CB -0.254 28.566 28.738 0.136 0.000 0.907 299 Q HN 0.816 nan 8.270 nan 0.000 0.433 300 A N 1.128 124.067 122.820 0.198 0.000 1.873 300 A HA -0.094 3.942 4.320 -0.474 0.000 0.215 300 A C 2.307 180.031 177.584 0.234 0.000 1.186 300 A CA 1.523 53.708 52.037 0.247 0.000 0.616 300 A CB -0.773 18.339 19.000 0.186 0.000 0.823 300 A HN 0.390 nan 8.150 nan 0.000 0.442 301 A N 0.035 122.970 122.820 0.192 0.000 1.930 301 A HA -0.159 3.877 4.320 -0.474 0.000 0.217 301 A C 1.734 179.365 177.584 0.078 0.000 1.175 301 A CA 1.824 54.011 52.037 0.249 0.000 0.627 301 A CB -0.564 18.615 19.000 0.297 0.000 0.815 301 A HN 0.467 nan 8.150 nan 0.000 0.443 302 D N -0.864 119.499 120.400 -0.063 0.000 2.104 302 D HA -0.189 4.166 4.640 -0.474 0.000 0.194 302 D C 1.681 177.805 176.300 -0.294 0.000 0.994 302 D CA 1.205 55.031 54.000 -0.289 0.000 0.830 302 D CB -0.486 40.077 40.800 -0.397 0.000 0.959 302 D HN 0.762 nan 8.370 nan 0.000 0.452 303 W N 1.050 122.337 121.300 -0.022 0.000 2.402 303 W HA -0.101 4.272 4.660 -0.478 0.000 0.286 303 W C 2.856 179.379 176.519 0.007 0.000 1.221 303 W CA 0.866 58.213 57.345 0.004 0.000 1.257 303 W CB -0.309 29.175 29.460 0.040 0.000 1.120 303 W HN -0.096 nan 8.180 nan 0.000 0.551 304 S N 0.454 116.299 115.700 0.242 0.000 2.368 304 S HA -0.192 3.993 4.470 -0.474 0.000 0.224 304 S C 1.880 176.518 174.600 0.064 0.000 1.029 304 S CA 1.453 59.808 58.200 0.259 0.000 0.988 304 S CB -0.492 62.942 63.200 0.390 0.000 0.838 304 S HN 0.174 nan 8.310 nan 0.000 0.462 305 L N 1.738 122.712 121.223 -0.416 0.000 2.046 305 L HA 0.050 4.105 4.340 -0.474 0.000 0.208 305 L C 2.300 178.941 176.870 -0.382 0.000 1.077 305 L CA 1.632 55.871 54.840 -1.003 0.000 0.747 305 L CB -0.904 40.326 42.059 -1.382 0.000 0.896 305 L HN 0.217 nan 8.230 nan 0.000 0.432 306 V N -0.275 119.530 119.914 -0.182 0.000 2.332 306 V HA -0.341 3.494 4.120 -0.474 0.000 0.248 306 V C 2.599 178.774 176.094 0.136 0.000 1.055 306 V CA 2.073 64.382 62.300 0.015 0.000 1.038 306 V CB -0.666 31.213 31.823 0.094 0.000 0.651 306 V HN 0.577 nan 8.190 nan 0.000 0.450 307 Q N -0.407 119.492 119.800 0.165 0.000 2.124 307 Q HA -0.177 3.879 4.340 -0.474 0.000 0.202 307 Q C 2.417 178.510 176.000 0.155 0.000 0.977 307 Q CA 1.736 57.651 55.803 0.187 0.000 0.850 307 Q CB -0.384 28.473 28.738 0.199 0.000 0.901 307 Q HN 0.692 nan 8.270 nan 0.000 0.429 308 A N 0.816 123.708 122.820 0.120 0.000 1.898 308 A HA -0.119 3.916 4.320 -0.474 0.000 0.216 308 A C 1.962 179.602 177.584 0.092 0.000 1.181 308 A CA 0.994 53.108 52.037 0.127 0.000 0.620 308 A CB -0.521 18.582 19.000 0.172 0.000 0.819 308 A HN 0.293 nan 8.150 nan 0.000 0.442 309 L N -0.085 121.183 121.223 0.074 0.000 2.465 309 L HA -0.036 4.019 4.340 -0.474 0.000 0.224 309 L C 1.837 178.920 176.870 0.356 0.000 1.145 309 L CA 1.410 56.333 54.840 0.139 0.000 0.834 309 L CB -0.229 41.863 42.059 0.055 0.000 0.944 309 L HN 0.635 nan 8.230 nan 0.000 0.451 310 T N -5.108 109.621 114.554 0.292 0.000 3.170 310 T HA 0.151 4.217 4.350 -0.474 0.000 0.288 310 T C 0.726 175.558 174.700 0.221 0.000 0.992 310 T CA -0.051 62.249 62.100 0.333 0.000 0.909 310 T CB 0.020 69.082 68.868 0.324 0.000 1.133 310 T HN 0.179 nan 8.240 nan 0.000 0.530 311 S N 0.881 116.668 115.700 0.146 0.000 2.606 311 S HA 0.624 4.809 4.470 -0.474 0.000 0.257 311 S C 1.924 176.558 174.600 0.056 0.000 1.327 311 S CA -0.193 58.065 58.200 0.096 0.000 0.984 311 S CB 0.571 63.815 63.200 0.073 0.000 0.941 311 S HN 0.476 nan 8.310 nan 0.000 0.576 312 A N 0.215 123.053 122.820 0.030 0.000 1.902 312 A HA -0.153 3.883 4.320 -0.474 0.000 0.217 312 A C 2.340 179.910 177.584 -0.023 0.000 1.181 312 A CA 1.847 53.884 52.037 -0.000 0.000 0.623 312 A CB -1.254 17.736 19.000 -0.016 0.000 0.818 312 A HN 0.955 nan 8.150 nan 0.000 0.443 313 Q N -0.648 119.137 119.800 -0.024 0.000 2.119 313 Q HA -0.093 3.962 4.340 -0.474 0.000 0.201 313 Q C 2.166 178.095 176.000 -0.118 0.000 0.972 313 Q CA 1.490 57.265 55.803 -0.045 0.000 0.847 313 Q CB -0.339 28.386 28.738 -0.022 0.000 0.903 313 Q HN 0.609 nan 8.270 nan 0.000 0.433 314 A N 0.618 123.343 122.820 -0.159 0.000 1.877 314 A HA -0.236 3.799 4.320 -0.474 0.000 0.216 314 A C 1.944 179.111 177.584 -0.696 0.000 1.186 314 A CA 1.618 53.399 52.037 -0.427 0.000 0.620 314 A CB -0.575 18.269 19.000 -0.261 0.000 0.822 314 A HN 0.528 nan 8.150 nan 0.000 0.443 315 Q N -0.708 118.945 119.800 -0.246 0.000 2.170 315 Q HA -0.224 3.832 4.340 -0.474 0.000 0.203 315 Q C 2.262 178.272 176.000 0.017 0.000 0.976 315 Q CA 1.580 57.372 55.803 -0.018 0.000 0.858 315 Q CB -0.195 28.610 28.738 0.112 0.000 0.907 315 Q HN 0.777 nan 8.270 nan 0.000 0.433 316 Q N 0.032 119.813 119.800 -0.032 0.000 2.084 316 Q HA -0.128 3.928 4.340 -0.474 0.000 0.202 316 Q C 2.054 178.100 176.000 0.076 0.000 0.978 316 Q CA 1.252 57.080 55.803 0.042 0.000 0.844 316 Q CB -0.050 28.690 28.738 0.003 0.000 0.898 316 Q HN 0.430 nan 8.270 nan 0.000 0.426 317 M N -0.753 118.808 119.600 -0.065 0.000 2.086 317 M HA -0.180 4.016 4.480 -0.474 0.000 0.261 317 M C 1.740 178.102 176.300 0.102 0.000 1.067 317 M CA 1.666 56.942 55.300 -0.039 0.000 1.116 317 M CB -0.338 32.168 32.600 -0.156 0.000 1.348 317 M HN 0.279 nan 8.290 nan 0.000 0.407 318 Y N -1.252 119.142 120.300 0.157 0.000 2.224 318 Y HA -0.272 3.994 4.550 -0.474 0.000 0.289 318 Y C 2.376 178.378 175.900 0.170 0.000 1.146 318 Y CA 0.657 58.859 58.100 0.170 0.000 1.182 318 Y CB -0.395 38.200 38.460 0.224 0.000 0.983 318 Y HN 0.157 nan 8.280 nan 0.000 0.524 319 F N 1.268 121.345 119.950 0.212 0.000 2.146 319 F HA -0.140 4.102 4.527 -0.475 0.000 0.298 319 F C 2.626 178.496 175.800 0.116 0.000 1.096 319 F CA 1.348 59.432 58.000 0.141 0.000 1.275 319 F CB -0.427 38.618 39.000 0.075 0.000 1.008 319 F HN -0.197 nan 8.300 nan 0.000 0.480 320 R N 0.321 120.848 120.500 0.044 0.000 2.103 320 R HA -0.183 3.873 4.340 -0.474 0.000 0.242 320 R C 1.298 177.548 176.300 -0.083 0.000 1.142 320 R CA 2.226 58.301 56.100 -0.042 0.000 0.960 320 R CB -0.566 29.775 30.300 0.069 0.000 0.858 320 R HN 0.304 nan 8.270 nan 0.000 0.439 321 D N -1.267 119.136 120.400 0.005 0.000 2.350 321 D HA -0.005 4.351 4.640 -0.474 0.000 0.213 321 D C 1.034 177.346 176.300 0.021 0.000 1.031 321 D CA 1.010 55.027 54.000 0.028 0.000 0.861 321 D CB 0.911 41.763 40.800 0.087 0.000 0.926 321 D HN 0.373 nan 8.370 nan 0.000 0.520 322 S N -1.188 114.508 115.700 -0.007 0.000 2.700 322 S HA -0.016 4.169 4.470 -0.474 0.000 0.272 322 S C 0.548 175.133 174.600 -0.025 0.000 1.052 322 S CA -0.307 57.902 58.200 0.016 0.000 1.317 322 S CB 0.850 64.103 63.200 0.089 0.000 1.212 322 S HN -0.129 nan 8.310 nan 0.000 0.675 323 Q N 0.597 120.276 119.800 -0.201 0.000 2.465 323 Q HA -0.137 3.918 4.340 -0.474 0.000 0.248 323 Q C -0.729 175.375 176.000 0.173 0.000 0.819 323 Q CA 0.852 56.485 55.803 -0.282 0.000 1.219 323 Q CB -1.983 26.716 28.738 -0.065 0.000 1.472 323 Q HN 0.730 nan 8.270 nan 0.000 0.630 324 Q N 0.771 120.709 119.800 0.229 0.000 2.289 324 Q HA 0.133 4.189 4.340 -0.474 0.000 0.273 324 Q C 0.651 176.887 176.000 0.392 0.000 1.029 324 Q CA 0.102 56.081 55.803 0.292 0.000 0.896 324 Q CB 0.450 29.357 28.738 0.281 0.000 1.182 324 Q HN 0.220 nan 8.270 nan 0.000 0.385 325 I N 6.165 126.881 120.570 0.244 0.000 2.533 325 I HA 0.093 3.979 4.170 -0.474 0.000 0.284 325 I C -1.973 174.184 176.117 0.067 0.000 1.109 325 I CA -2.372 58.981 61.300 0.088 0.000 1.412 325 I CB -0.071 37.774 38.000 -0.259 0.000 1.396 325 I HN 0.212 nan 8.210 nan 0.000 0.543 326 P HA 0.082 nan 4.420 nan 0.000 0.269 326 P C 0.309 177.662 177.300 0.088 0.000 1.209 326 P CA -0.048 63.098 63.100 0.077 0.000 0.776 326 P CB 0.806 32.499 31.700 -0.011 0.000 0.876 327 A N 3.700 126.624 122.820 0.174 0.000 1.970 327 A HA 0.009 4.045 4.320 -0.474 0.000 0.216 327 A C 0.952 178.694 177.584 0.263 0.000 1.170 327 A CA 0.709 52.900 52.037 0.256 0.000 0.645 327 A CB -0.827 18.367 19.000 0.323 0.000 0.816 327 A HN 0.489 nan 8.150 nan 0.000 0.447 328 L N 1.022 122.316 121.223 0.119 0.000 2.410 328 L HA 0.090 4.146 4.340 -0.474 0.000 0.273 328 L C 1.170 177.990 176.870 -0.083 0.000 1.144 328 L CA -0.421 54.352 54.840 -0.112 0.000 0.863 328 L CB 0.864 42.849 42.059 -0.123 0.000 1.140 328 L HN 0.362 nan 8.230 nan 0.000 0.463 329 L N 2.058 123.216 121.223 -0.109 0.000 2.083 329 L HA -0.219 3.837 4.340 -0.474 0.000 0.209 329 L C 2.617 179.441 176.870 -0.077 0.000 1.083 329 L CA 1.495 56.308 54.840 -0.045 0.000 0.752 329 L CB -0.475 41.568 42.059 -0.027 0.000 0.899 329 L HN 0.919 nan 8.230 nan 0.000 0.433 330 S N -0.616 115.021 115.700 -0.105 0.000 2.399 330 S HA -0.126 4.060 4.470 -0.474 0.000 0.231 330 S C 1.819 176.352 174.600 -0.112 0.000 1.022 330 S CA 1.239 59.382 58.200 -0.095 0.000 0.983 330 S CB -0.703 62.443 63.200 -0.090 0.000 0.803 330 S HN 0.213 nan 8.310 nan 0.000 0.480 331 V N 1.738 121.579 119.914 -0.123 0.000 2.591 331 V HA -0.061 3.774 4.120 -0.474 0.000 0.249 331 V C 2.770 178.706 176.094 -0.264 0.000 1.053 331 V CA 1.460 63.666 62.300 -0.157 0.000 1.068 331 V CB -0.921 30.832 31.823 -0.115 0.000 0.689 331 V HN 0.498 nan 8.190 nan 0.000 0.462 332 Q N 0.131 119.780 119.800 -0.251 0.000 2.167 332 Q HA -0.133 3.923 4.340 -0.474 0.000 0.202 332 Q C 2.229 177.954 176.000 -0.459 0.000 0.970 332 Q CA 1.206 56.759 55.803 -0.417 0.000 0.855 332 Q CB -0.134 28.507 28.738 -0.161 0.000 0.911 332 Q HN 0.576 nan 8.270 nan 0.000 0.438 333 R N 0.933 121.290 120.500 -0.238 0.000 2.323 333 R HA 0.022 4.077 4.340 -0.474 0.000 0.198 333 R C 0.837 177.031 176.300 -0.176 0.000 0.988 333 R CA 0.127 56.126 56.100 -0.168 0.000 1.041 333 R CB 0.071 30.322 30.300 -0.082 0.000 0.926 333 R HN 0.124 nan 8.270 nan 0.000 0.476 334 S N -0.141 115.421 115.700 -0.230 0.000 2.593 334 S HA 0.014 4.199 4.470 -0.474 0.000 0.269 334 S C 1.502 175.993 174.600 -0.182 0.000 1.334 334 S CA -0.246 57.845 58.200 -0.180 0.000 1.015 334 S CB 1.724 64.815 63.200 -0.182 0.000 0.912 334 S HN 0.227 nan 8.310 nan 0.000 0.541 335 S N 2.243 117.881 115.700 -0.104 0.000 2.356 335 S HA -0.131 4.055 4.470 -0.474 0.000 0.223 335 S C 2.091 176.658 174.600 -0.056 0.000 1.032 335 S CA 0.891 59.053 58.200 -0.064 0.000 1.005 335 S CB -1.431 61.754 63.200 -0.025 0.000 0.867 335 S HN 1.203 nan 8.310 nan 0.000 0.449 336 A N 1.431 124.227 122.820 -0.040 0.000 1.908 336 A HA 0.025 4.060 4.320 -0.474 0.000 0.218 336 A C 2.442 180.024 177.584 -0.002 0.000 1.181 336 A CA 1.881 53.956 52.037 0.063 0.000 0.627 336 A CB -1.126 17.968 19.000 0.157 0.000 0.818 336 A HN 0.491 nan 8.150 nan 0.000 0.445 337 V N -0.308 119.361 119.914 -0.407 0.000 2.283 337 V HA -0.206 3.630 4.120 -0.474 0.000 0.243 337 V C 2.624 178.435 176.094 -0.472 0.000 1.039 337 V CA 1.777 63.589 62.300 -0.814 0.000 1.016 337 V CB -0.801 30.335 31.823 -1.145 0.000 0.650 337 V HN 0.521 nan 8.190 nan 0.000 0.449 338 Q N 0.756 120.314 119.800 -0.403 0.000 2.197 338 Q HA -0.174 3.881 4.340 -0.474 0.000 0.207 338 Q C 2.411 178.476 176.000 0.109 0.000 0.984 338 Q CA 2.039 57.772 55.803 -0.117 0.000 0.869 338 Q CB -0.517 28.184 28.738 -0.062 0.000 0.906 338 Q HN 0.811 nan 8.270 nan 0.000 0.426 339 S N -0.438 115.303 115.700 0.069 0.000 2.558 339 S HA 0.046 4.232 4.470 -0.474 0.000 0.217 339 S C 0.947 175.641 174.600 0.156 0.000 0.975 339 S CA -0.002 58.264 58.200 0.110 0.000 0.912 339 S CB -0.017 63.228 63.200 0.075 0.000 0.776 339 S HN 0.244 nan 8.310 nan 0.000 0.526 340 S N 1.709 117.548 115.700 0.232 0.000 2.565 340 S HA 0.427 4.613 4.470 -0.474 0.000 0.274 340 S C -2.054 172.694 174.600 0.247 0.000 1.309 340 S CA -1.110 57.258 58.200 0.279 0.000 1.043 340 S CB 1.033 64.540 63.200 0.512 0.000 0.939 340 S HN -0.007 nan 8.310 nan 0.000 0.504 341 P HA -0.021 nan 4.420 nan 0.000 0.217 341 P C 1.385 178.771 177.300 0.143 0.000 1.150 341 P CA 1.118 64.278 63.100 0.099 0.000 0.832 341 P CB -0.149 31.542 31.700 -0.015 0.000 0.787 342 T N -0.973 113.704 114.554 0.205 0.000 2.746 342 T HA -0.156 3.910 4.350 -0.474 0.000 0.267 342 T C 1.435 176.327 174.700 0.319 0.000 1.039 342 T CA 1.050 63.294 62.100 0.240 0.000 1.142 342 T CB -0.941 68.108 68.868 0.302 0.000 0.866 342 T HN 0.024 nan 8.240 nan 0.000 0.444 343 F N 1.987 122.070 119.950 0.222 0.000 2.186 343 F HA 0.078 4.321 4.527 -0.474 0.000 0.299 343 F C 2.246 178.191 175.800 0.242 0.000 1.090 343 F CA 1.039 59.166 58.000 0.212 0.000 1.307 343 F CB -0.198 38.870 39.000 0.114 0.000 1.019 343 F HN -0.038 nan 8.300 nan 0.000 0.489 344 K N 0.234 120.732 120.400 0.164 0.000 2.032 344 K HA -0.176 3.860 4.320 -0.474 0.000 0.209 344 K C 2.244 178.845 176.600 0.002 0.000 1.048 344 K CA 1.360 57.673 56.287 0.043 0.000 0.927 344 K CB -0.445 32.113 32.500 0.096 0.000 0.712 344 K HN 0.281 nan 8.250 nan 0.000 0.441 345 A N 0.643 123.502 122.820 0.065 0.000 1.933 345 A HA -0.161 3.875 4.320 -0.474 0.000 0.218 345 A C 1.991 179.618 177.584 0.071 0.000 1.175 345 A CA 1.352 53.428 52.037 0.065 0.000 0.628 345 A CB -0.799 18.245 19.000 0.073 0.000 0.814 345 A HN 0.537 nan 8.150 nan 0.000 0.444 346 F N 1.386 121.298 119.950 -0.064 0.000 2.069 346 F HA -0.213 4.029 4.527 -0.476 0.000 0.298 346 F C 2.298 177.986 175.800 -0.186 0.000 1.113 346 F CA 2.439 60.391 58.000 -0.080 0.000 1.214 346 F CB -0.398 38.561 39.000 -0.068 0.000 0.978 346 F HN 0.123 nan 8.300 nan 0.000 0.474 347 V N -1.752 117.942 119.914 -0.366 0.000 2.759 347 V HA -0.173 3.662 4.120 -0.474 0.000 0.256 347 V C 1.699 177.623 176.094 -0.284 0.000 1.080 347 V CA 2.022 64.059 62.300 -0.439 0.000 1.101 347 V CB -1.065 30.496 31.823 -0.437 0.000 0.698 347 V HN 0.475 nan 8.190 nan 0.000 0.477 348 E N 0.004 120.098 120.200 -0.176 0.000 2.371 348 E HA -0.043 4.022 4.350 -0.474 0.000 0.194 348 E C 2.064 178.637 176.600 -0.046 0.000 1.012 348 E CA 0.805 57.152 56.400 -0.088 0.000 0.860 348 E CB 0.045 29.729 29.700 -0.026 0.000 0.811 348 E HN 0.736 nan 8.360 nan 0.000 0.502 349 Q N -0.347 119.400 119.800 -0.089 0.000 2.316 349 Q HA 0.065 4.120 4.340 -0.474 0.000 0.235 349 Q C 1.845 177.772 176.000 -0.122 0.000 0.863 349 Q CA -0.164 55.647 55.803 0.014 0.000 0.939 349 Q CB 0.310 29.086 28.738 0.063 0.000 1.108 349 Q HN 0.131 nan 8.270 nan 0.000 0.522 350 L N 2.479 123.479 121.223 -0.371 0.000 2.051 350 L HA -0.246 3.809 4.340 -0.474 0.000 0.214 350 L C 2.395 179.079 176.870 -0.309 0.000 1.076 350 L CA 2.088 56.663 54.840 -0.441 0.000 0.758 350 L CB -0.334 41.331 42.059 -0.656 0.000 0.890 350 L HN 0.189 nan 8.230 nan 0.000 0.433 351 R N -2.322 117.928 120.500 -0.416 0.000 2.193 351 R HA -0.177 3.879 4.340 -0.474 0.000 0.229 351 R C 1.540 177.523 176.300 -0.529 0.000 1.110 351 R CA 1.875 57.673 56.100 -0.504 0.000 0.988 351 R CB -0.801 29.089 30.300 -0.684 0.000 0.871 351 R HN 0.464 nan 8.270 nan 0.000 0.458 352 Y N 0.714 120.934 120.300 -0.133 0.000 2.458 352 Y HA 0.406 4.671 4.550 -0.476 0.000 0.254 352 Y C 1.216 177.078 175.900 -0.064 0.000 1.120 352 Y CA -0.326 57.712 58.100 -0.103 0.000 1.282 352 Y CB 0.385 38.768 38.460 -0.129 0.000 1.109 352 Y HN 0.116 nan 8.280 nan 0.000 0.526 353 A N 0.998 123.849 122.820 0.051 0.000 2.407 353 A HA 0.447 4.482 4.320 -0.474 0.000 0.248 353 A C -0.344 177.308 177.584 0.113 0.000 1.082 353 A CA -0.185 51.903 52.037 0.084 0.000 0.785 353 A CB 0.185 19.225 19.000 0.067 0.000 1.020 353 A HN 0.031 nan 8.150 nan 0.000 0.489 354 V N 4.732 124.762 119.914 0.193 0.000 2.384 354 V HA 0.314 4.150 4.120 -0.474 0.000 0.287 354 V C -2.340 173.954 176.094 0.333 0.000 1.020 354 V CA -1.603 60.841 62.300 0.239 0.000 0.850 354 V CB 1.550 33.551 31.823 0.297 0.000 0.987 354 V HN 0.768 nan 8.190 nan 0.000 0.436 355 P HA 0.134 nan 4.420 nan 0.000 0.267 355 P C 0.049 177.503 177.300 0.258 0.000 1.205 355 P CA 0.064 63.302 63.100 0.230 0.000 0.765 355 P CB 0.359 32.123 31.700 0.108 0.000 0.828 356 M N 5.214 124.955 119.600 0.235 0.000 2.249 356 M HA 0.118 4.314 4.480 -0.474 0.000 0.340 356 M C -2.029 174.281 176.300 0.015 0.000 1.166 356 M CA -1.146 54.069 55.300 -0.142 0.000 1.115 356 M CB -0.155 32.189 32.600 -0.427 0.000 1.606 356 M HN 0.117 nan 8.290 nan 0.000 0.448 357 P HA 0.032 nan 4.420 nan 0.000 0.268 357 P C -0.171 177.098 177.300 -0.052 0.000 1.205 357 P CA 0.127 63.240 63.100 0.021 0.000 0.771 357 P CB 0.354 32.141 31.700 0.145 0.000 0.858 358 N N 2.689 121.375 118.700 -0.023 0.000 2.187 358 N HA 0.036 4.492 4.740 -0.474 0.000 0.212 358 N C 0.344 175.778 175.510 -0.128 0.000 1.152 358 N CA -0.175 52.827 53.050 -0.081 0.000 0.872 358 N CB -0.653 37.842 38.487 0.013 0.000 1.025 358 N HN 0.363 nan 8.380 nan 0.000 0.514 359 I N -2.581 117.909 120.570 -0.134 0.000 2.779 359 I HA 0.314 4.200 4.170 -0.474 0.000 0.285 359 I C -1.546 174.465 176.117 -0.176 0.000 1.134 359 I CA -1.730 59.461 61.300 -0.181 0.000 1.398 359 I CB 0.508 38.347 38.000 -0.267 0.000 1.404 359 I HN -0.308 nan 8.210 nan 0.000 0.587 360 P HA -0.198 nan 4.420 nan 0.000 0.216 360 P C 1.183 178.422 177.300 -0.102 0.000 1.150 360 P CA 1.586 64.605 63.100 -0.135 0.000 0.843 360 P CB 0.026 31.655 31.700 -0.117 0.000 0.787 361 Q N -1.883 117.838 119.800 -0.133 0.000 2.297 361 Q HA -0.160 3.896 4.340 -0.474 0.000 0.208 361 Q C 2.035 178.069 176.000 0.056 0.000 0.981 361 Q CA 1.202 56.965 55.803 -0.066 0.000 0.876 361 Q CB -0.846 27.776 28.738 -0.194 0.000 0.921 361 Q HN 0.198 nan 8.270 nan 0.000 0.446 362 M N 0.120 119.726 119.600 0.010 0.000 2.213 362 M HA -0.161 4.035 4.480 -0.474 0.000 0.263 362 M C 1.353 177.476 176.300 -0.296 0.000 1.062 362 M CA 1.569 56.799 55.300 -0.117 0.000 1.105 362 M CB 0.033 32.511 32.600 -0.204 0.000 1.385 362 M HN 0.043 nan 8.290 nan 0.000 0.417 363 Q N -0.379 119.382 119.800 -0.064 0.000 2.224 363 Q HA 0.028 4.083 4.340 -0.474 0.000 0.203 363 Q C 2.159 178.214 176.000 0.091 0.000 0.970 363 Q CA 1.622 57.490 55.803 0.109 0.000 0.865 363 Q CB -0.907 27.899 28.738 0.115 0.000 0.922 363 Q HN 0.665 nan 8.270 nan 0.000 0.445 364 A N 0.273 123.112 122.820 0.031 0.000 2.015 364 A HA -0.070 3.965 4.320 -0.474 0.000 0.219 364 A C 2.372 179.976 177.584 0.033 0.000 1.163 364 A CA 1.071 53.137 52.037 0.048 0.000 0.646 364 A CB -0.320 18.702 19.000 0.037 0.000 0.806 364 A HN 0.197 nan 8.150 nan 0.000 0.448 365 V N -2.010 117.857 119.914 -0.078 0.000 2.323 365 V HA -0.259 3.576 4.120 -0.474 0.000 0.244 365 V C 2.235 178.378 176.094 0.082 0.000 1.041 365 V CA 1.577 63.788 62.300 -0.148 0.000 1.025 365 V CB -1.140 30.402 31.823 -0.469 0.000 0.656 365 V HN 0.821 nan 8.190 nan 0.000 0.451 366 W N 0.057 121.417 121.300 0.100 0.000 2.363 366 W HA -0.181 4.213 4.660 -0.442 0.000 0.296 366 W C 2.605 179.191 176.519 0.113 0.000 1.212 366 W CA 0.696 58.106 57.345 0.107 0.000 1.260 366 W CB -0.304 29.189 29.460 0.055 0.000 1.131 366 W HN 0.221 nan 8.180 nan 0.000 0.530 367 Q N -0.228 119.765 119.800 0.323 0.000 2.364 367 Q HA -0.059 3.997 4.340 -0.474 0.000 0.207 367 Q C 2.134 178.249 176.000 0.190 0.000 0.970 367 Q CA 1.252 57.183 55.803 0.215 0.000 0.888 367 Q CB -0.170 28.664 28.738 0.160 0.000 0.951 367 Q HN 0.292 nan 8.270 nan 0.000 0.469 368 A N 0.532 123.498 122.820 0.245 0.000 2.303 368 A HA 0.066 4.102 4.320 -0.474 0.000 0.217 368 A C 1.825 179.580 177.584 0.286 0.000 1.205 368 A CA -0.191 52.012 52.037 0.276 0.000 0.875 368 A CB -0.270 18.919 19.000 0.314 0.000 0.910 368 A HN 0.447 nan 8.150 nan 0.000 0.501 369 M N 0.162 119.930 119.600 0.280 0.000 2.629 369 M HA -0.059 4.136 4.480 -0.474 0.000 0.257 369 M C 1.606 177.813 176.300 -0.156 0.000 1.071 369 M CA 1.666 56.939 55.300 -0.044 0.000 1.077 369 M CB -0.860 31.865 32.600 0.208 0.000 1.423 369 M HN 0.326 nan 8.290 nan 0.000 0.508 370 S N 1.304 116.979 115.700 -0.042 0.000 2.442 370 S HA -0.145 4.041 4.470 -0.474 0.000 0.236 370 S C 1.824 176.352 174.600 -0.121 0.000 1.007 370 S CA 1.116 59.287 58.200 -0.049 0.000 0.965 370 S CB -1.027 62.173 63.200 -0.000 0.000 0.773 370 S HN 0.743 nan 8.310 nan 0.000 0.504 371 I N 0.911 121.362 120.570 -0.199 0.000 2.756 371 I HA -0.063 3.823 4.170 -0.474 0.000 0.262 371 I C 1.818 177.742 176.117 -0.321 0.000 1.225 371 I CA 0.872 62.034 61.300 -0.230 0.000 1.472 371 I CB -0.106 37.761 38.000 -0.223 0.000 1.094 371 I HN 0.321 nan 8.210 nan 0.000 0.454 372 L N 0.253 121.228 121.223 -0.413 0.000 2.201 372 L HA -0.214 3.842 4.340 -0.474 0.000 0.212 372 L C 2.500 179.265 176.870 -0.174 0.000 1.105 372 L CA 0.989 55.613 54.840 -0.360 0.000 0.775 372 L CB -0.565 41.310 42.059 -0.306 0.000 0.913 372 L HN 0.328 nan 8.230 nan 0.000 0.440 373 Q N 0.477 120.203 119.800 -0.125 0.000 2.119 373 Q HA -0.163 3.892 4.340 -0.474 0.000 0.201 373 Q C 1.975 177.941 176.000 -0.058 0.000 0.972 373 Q CA 1.515 57.280 55.803 -0.063 0.000 0.847 373 Q CB 0.026 28.739 28.738 -0.043 0.000 0.903 373 Q HN 0.413 nan 8.270 nan 0.000 0.433 374 N N -0.066 118.586 118.700 -0.079 0.000 2.188 374 N HA -0.111 4.345 4.740 -0.474 0.000 0.184 374 N C 1.741 177.216 175.510 -0.058 0.000 1.018 374 N CA 1.444 54.458 53.050 -0.060 0.000 0.858 374 N CB -0.151 38.298 38.487 -0.064 0.000 0.989 374 N HN 0.371 nan 8.380 nan 0.000 0.426 375 I N 1.175 121.689 120.570 -0.093 0.000 2.202 375 I HA -0.180 3.705 4.170 -0.474 0.000 0.242 375 I C 2.055 178.160 176.117 -0.021 0.000 1.091 375 I CA 0.927 62.182 61.300 -0.074 0.000 1.368 375 I CB -0.247 37.668 38.000 -0.142 0.000 1.058 375 I HN -0.008 nan 8.210 nan 0.000 0.410 376 I N 0.973 121.535 120.570 -0.013 0.000 2.454 376 I HA -0.251 3.635 4.170 -0.474 0.000 0.254 376 I C 2.572 178.710 176.117 0.035 0.000 1.156 376 I CA 1.177 62.497 61.300 0.034 0.000 1.433 376 I CB -0.371 37.656 38.000 0.044 0.000 1.082 376 I HN 0.197 nan 8.210 nan 0.000 0.432 377 A N 0.066 122.893 122.820 0.012 0.000 2.123 377 A HA 0.269 4.305 4.320 -0.474 0.000 0.214 377 A C 1.937 179.529 177.584 0.013 0.000 1.152 377 A CA 0.910 52.956 52.037 0.014 0.000 0.728 377 A CB -0.365 18.637 19.000 0.002 0.000 0.814 377 A HN 0.530 nan 8.150 nan 0.000 0.464 378 G N -0.613 108.191 108.800 0.008 0.000 2.141 378 G HA2 -0.269 3.406 3.960 -0.474 0.000 0.242 378 G HA3 -0.269 3.406 3.960 -0.474 0.000 0.242 378 G C 0.841 175.742 174.900 0.000 0.000 0.982 378 G CA 0.696 45.800 45.100 0.007 0.000 0.662 378 G HN 0.508 nan 8.290 nan 0.000 0.527 379 K N -0.955 119.442 120.400 -0.007 0.000 2.217 379 K HA 0.353 4.389 4.320 -0.474 0.000 0.202 379 K C 0.919 177.513 176.600 -0.010 0.000 1.051 379 K CA 1.309 57.591 56.287 -0.008 0.000 0.952 379 K CB 0.525 33.017 32.500 -0.013 0.000 0.736 379 K HN 0.499 nan 8.250 nan 0.000 0.453 380 V N 0.700 120.605 119.914 -0.016 0.000 2.971 380 V HA 0.183 4.019 4.120 -0.474 0.000 0.309 380 V C -0.875 175.212 176.094 -0.012 0.000 1.130 380 V CA -0.908 61.383 62.300 -0.015 0.000 0.964 380 V CB 2.202 34.010 31.823 -0.025 0.000 1.029 380 V HN 0.299 nan 8.190 nan 0.000 0.427 381 S N 5.207 120.906 115.700 -0.003 0.000 2.584 381 S HA 0.380 4.566 4.470 -0.474 0.000 0.270 381 S C -1.950 172.657 174.600 0.012 0.000 1.346 381 S CA -0.363 57.841 58.200 0.006 0.000 1.018 381 S CB 0.981 64.187 63.200 0.010 0.000 0.899 381 S HN 0.665 nan 8.310 nan 0.000 0.542 382 P HA -0.063 nan 4.420 nan 0.000 0.216 382 P C 1.085 178.448 177.300 0.106 0.000 1.150 382 P CA 1.185 64.333 63.100 0.081 0.000 0.837 382 P CB 0.026 31.784 31.700 0.098 0.000 0.786 383 E N -0.666 119.575 120.200 0.068 0.000 2.031 383 E HA -0.223 3.843 4.350 -0.474 0.000 0.193 383 E C 2.144 178.777 176.600 0.056 0.000 0.994 383 E CA 1.224 57.661 56.400 0.063 0.000 0.800 383 E CB -0.989 28.732 29.700 0.035 0.000 0.752 383 E HN 0.143 nan 8.360 nan 0.000 0.447 384 Q N 0.172 119.992 119.800 0.034 0.000 2.119 384 Q HA -0.023 4.032 4.340 -0.474 0.000 0.201 384 Q C 2.094 178.106 176.000 0.021 0.000 0.972 384 Q CA 1.894 57.711 55.803 0.024 0.000 0.847 384 Q CB -0.795 27.950 28.738 0.013 0.000 0.903 384 Q HN 0.307 nan 8.270 nan 0.000 0.433 385 G N -0.097 108.702 108.800 -0.001 0.000 2.422 385 G HA2 -0.206 3.470 3.960 -0.474 0.000 0.218 385 G HA3 -0.206 3.470 3.960 -0.474 0.000 0.218 385 G C 1.470 176.355 174.900 -0.025 0.000 1.146 385 G CA 0.982 46.051 45.100 -0.052 0.000 0.769 385 G HN 0.520 nan 8.290 nan 0.000 0.547 386 A N 0.641 123.490 122.820 0.049 0.000 1.902 386 A HA -0.008 4.028 4.320 -0.474 0.000 0.217 386 A C 2.212 179.896 177.584 0.166 0.000 1.181 386 A CA 2.119 54.277 52.037 0.202 0.000 0.623 386 A CB -0.429 18.787 19.000 0.360 0.000 0.818 386 A HN 0.391 nan 8.150 nan 0.000 0.443 387 K N -0.440 120.020 120.400 0.100 0.000 2.026 387 K HA -0.192 3.843 4.320 -0.474 0.000 0.208 387 K C 1.328 177.969 176.600 0.068 0.000 1.048 387 K CA 1.739 58.065 56.287 0.065 0.000 0.929 387 K CB -0.195 32.331 32.500 0.044 0.000 0.713 387 K HN 0.436 nan 8.250 nan 0.000 0.439 388 D N 0.069 120.512 120.400 0.072 0.000 2.178 388 D HA -0.160 4.196 4.640 -0.474 0.000 0.202 388 D C 1.719 178.104 176.300 0.142 0.000 0.974 388 D CA 0.666 54.711 54.000 0.075 0.000 0.841 388 D CB -0.206 40.622 40.800 0.045 0.000 0.953 388 D HN 0.163 nan 8.370 nan 0.000 0.478 389 F N 2.147 122.070 119.950 -0.046 0.000 2.075 389 F HA -0.190 4.061 4.527 -0.461 0.000 0.297 389 F C 2.204 177.989 175.800 -0.026 0.000 1.113 389 F CA 0.778 58.748 58.000 -0.051 0.000 1.218 389 F CB -0.730 38.214 39.000 -0.095 0.000 0.984 389 F HN -0.227 nan 8.300 nan 0.000 0.472 390 V N 0.570 120.463 119.914 -0.035 0.000 2.407 390 V HA -0.298 3.538 4.120 -0.474 0.000 0.248 390 V C 2.377 178.431 176.094 -0.066 0.000 1.055 390 V CA 2.056 64.257 62.300 -0.166 0.000 1.049 390 V CB -0.810 30.943 31.823 -0.117 0.000 0.662 390 V HN 0.391 nan 8.190 nan 0.000 0.455 391 Q N -0.174 119.627 119.800 0.001 0.000 2.079 391 Q HA -0.159 3.896 4.340 -0.474 0.000 0.200 391 Q C 2.164 178.178 176.000 0.024 0.000 0.974 391 Q CA 1.355 57.166 55.803 0.013 0.000 0.840 391 Q CB -0.238 28.515 28.738 0.025 0.000 0.898 391 Q HN 0.638 nan 8.270 nan 0.000 0.430 392 N N 0.630 119.362 118.700 0.054 0.000 2.309 392 N HA -0.078 4.378 4.740 -0.474 0.000 0.182 392 N C 1.767 177.308 175.510 0.052 0.000 1.018 392 N CA 0.905 53.998 53.050 0.072 0.000 0.876 392 N CB 0.020 38.582 38.487 0.126 0.000 0.972 392 N HN 0.281 nan 8.380 nan 0.000 0.434 393 I N 1.347 121.918 120.570 0.002 0.000 2.233 393 I HA -0.216 3.669 4.170 -0.474 0.000 0.243 393 I C 2.309 178.420 176.117 -0.010 0.000 1.093 393 I CA 0.840 62.115 61.300 -0.042 0.000 1.380 393 I CB -0.176 37.706 38.000 -0.197 0.000 1.067 393 I HN 0.035 nan 8.210 nan 0.000 0.413 394 Q N 1.118 120.910 119.800 -0.013 0.000 2.135 394 Q HA -0.229 3.827 4.340 -0.474 0.000 0.204 394 Q C 2.142 178.149 176.000 0.012 0.000 0.981 394 Q CA 1.559 57.365 55.803 0.005 0.000 0.856 394 Q CB -0.312 28.427 28.738 0.001 0.000 0.902 394 Q HN 0.547 nan 8.270 nan 0.000 0.425 395 K N -0.413 119.997 120.400 0.017 0.000 2.002 395 K HA -0.038 3.998 4.320 -0.474 0.000 0.209 395 K C 1.168 177.783 176.600 0.024 0.000 1.048 395 K CA 1.194 57.493 56.287 0.021 0.000 0.930 395 K CB 0.019 32.535 32.500 0.027 0.000 0.714 395 K HN 0.239 nan 8.250 nan 0.000 0.438 396 G N 0.000 108.819 108.800 0.031 0.000 5.446 396 G HA2 0.000 3.676 3.960 -0.474 0.000 0.244 396 G HA3 0.000 3.676 3.960 -0.474 0.000 0.244 396 G CA 0.000 nan 45.100 nan 0.000 0.502 396 G HN 0.000 nan 8.290 nan 0.000 0.925