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 3gv8_1_B DATA FIRST_RESID 26 DATA SEQUENCE SSRVIVHVDL DCFYAQVEMI SNPELKDKPL GVQQKYLVVT CNYEARKLGV DATA SEQUENCE KKLMNVRDAK EKCPQLVLVN GEDLTRYREM SYKVTELLEE FSPVVERLGF DATA SEQUENCE DENFVDLTEM VEKRLQQLQS DELSAVTVSG HVYNNQSINL LDVLHIRLLV DATA SEQUENCE GSQIAAEMRE AMYNQLGLTG CAGVASNKLL AKLVSGVFKP NQQTVLLPES DATA SEQUENCE CQHLIHSLNH IKEIPGIGYK TAKCLEALGI NSVRDLQTFS PKILEKELGI DATA SEQUENCE SVAQRIQKLS FGEDNSPVIL SGPPQSFSEE DSFKKCSSEV EAKNKIEELL DATA SEQUENCE ASLLNRVCXX XRKPHTVRLI IRRYXXXXXX GRESRQCPIP SHVIQKXXXX DATA SEQUENCE XXDVMTPMVD ILMKLFRNMV NVKMPFHLTL LSVCFCNLK 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.604 174.600 0.007 0.000 1.055 26 S CA 0.000 58.203 58.200 0.005 0.000 1.107 26 S CB 0.000 63.204 63.200 0.006 0.000 0.593 27 S N 1.396 117.103 115.700 0.012 0.000 2.545 27 S HA 0.533 5.014 4.470 0.019 0.000 0.275 27 S C -0.031 174.580 174.600 0.019 0.000 1.299 27 S CA -0.364 57.846 58.200 0.016 0.000 1.048 27 S CB 0.246 63.460 63.200 0.023 0.000 0.938 27 S HN 0.514 nan 8.310 nan 0.000 0.496 28 R N 1.841 122.352 120.500 0.018 0.000 2.758 28 R HA 0.688 5.039 4.340 0.019 0.000 0.265 28 R C -1.251 175.067 176.300 0.030 0.000 1.016 28 R CA -0.896 55.217 56.100 0.021 0.000 1.040 28 R CB 1.306 31.615 30.300 0.014 0.000 1.152 28 R HN 0.378 nan 8.270 nan 0.000 0.503 29 V N 3.431 123.366 119.914 0.035 0.000 2.376 29 V HA 0.374 4.505 4.120 0.019 0.000 0.287 29 V C -0.574 175.550 176.094 0.050 0.000 1.015 29 V CA -0.657 61.668 62.300 0.041 0.000 0.834 29 V CB 1.429 33.276 31.823 0.041 0.000 1.001 29 V HN 0.509 nan 8.190 nan 0.000 0.428 30 I N 5.027 125.634 120.570 0.061 0.000 2.474 30 I HA 0.529 4.711 4.170 0.019 0.000 0.294 30 I C -0.222 175.961 176.117 0.111 0.000 1.005 30 I CA -0.776 60.580 61.300 0.093 0.000 1.113 30 I CB 1.984 40.045 38.000 0.102 0.000 1.289 30 I HN 0.356 nan 8.210 nan 0.000 0.436 31 V N 6.264 126.251 119.914 0.122 0.000 2.555 31 V HA 0.439 4.570 4.120 0.019 0.000 0.302 31 V C -0.721 175.456 176.094 0.138 0.000 1.038 31 V CA -0.396 61.960 62.300 0.093 0.000 0.887 31 V CB 1.848 33.676 31.823 0.008 0.000 0.991 31 V HN 0.800 nan 8.190 nan 0.000 0.434 32 H N 5.666 124.716 119.070 -0.033 0.000 2.481 32 H HA 0.621 5.188 4.556 0.017 0.000 0.333 32 H C -1.592 173.605 175.328 -0.219 0.000 1.066 32 H CA -0.539 55.361 56.048 -0.246 0.000 1.209 32 H CB 1.928 31.539 29.762 -0.252 0.000 1.445 32 H HN 0.508 nan 8.280 nan 0.000 0.488 33 V N 5.496 124.998 119.914 -0.687 0.000 2.459 33 V HA 0.143 4.274 4.120 0.019 0.000 0.295 33 V C -0.171 175.514 176.094 -0.682 0.000 1.029 33 V CA -0.611 61.384 62.300 -0.509 0.000 0.874 33 V CB 1.626 33.254 31.823 -0.326 0.000 0.985 33 V HN 0.753 nan 8.190 nan 0.000 0.438 34 D N 4.243 124.369 120.400 -0.457 0.000 2.473 34 D HA 0.325 4.977 4.640 0.019 0.000 0.253 34 D C -0.579 175.621 176.300 -0.168 0.000 1.233 34 D CA -0.414 53.375 54.000 -0.351 0.000 0.908 34 D CB 1.306 41.965 40.800 -0.235 0.000 1.170 34 D HN 0.251 nan 8.370 nan 0.000 0.558 35 L N 2.541 123.670 121.223 -0.157 0.000 2.456 35 L HA 0.161 4.512 4.340 0.019 0.000 0.272 35 L C 0.528 177.438 176.870 0.067 0.000 1.189 35 L CA 0.018 54.838 54.840 -0.033 0.000 0.846 35 L CB 0.472 42.518 42.059 -0.023 0.000 1.111 35 L HN 0.350 nan 8.230 nan 0.000 0.475 36 D N 1.685 122.154 120.400 0.116 0.000 2.458 36 D HA 0.020 4.671 4.640 0.019 0.000 0.243 36 D C 0.923 177.374 176.300 0.252 0.000 1.146 36 D CA 0.009 54.129 54.000 0.201 0.000 0.877 36 D CB 0.500 41.383 40.800 0.139 0.000 1.176 36 D HN 0.813 nan 8.370 nan 0.000 0.461 37 C N 2.599 122.045 119.300 0.243 0.000 2.861 37 C HA -0.239 4.232 4.460 0.019 0.000 0.218 37 C C 1.744 176.813 174.990 0.131 0.000 1.428 37 C CA -0.855 58.233 59.018 0.117 0.000 2.251 37 C CB -2.881 24.917 27.740 0.096 0.000 1.469 37 C HN 0.649 nan 8.230 nan 0.000 0.408 38 F N 1.550 121.478 119.950 -0.036 0.000 2.043 38 F HA -0.104 4.434 4.527 0.017 0.000 0.297 38 F C 2.343 178.201 175.800 0.098 0.000 1.121 38 F CA 2.159 60.176 58.000 0.029 0.000 1.199 38 F CB -0.770 38.243 39.000 0.022 0.000 0.968 38 F HN 0.617 nan 8.300 nan 0.000 0.478 39 Y N -0.337 119.704 120.300 -0.432 0.000 2.207 39 Y HA -0.236 4.326 4.550 0.019 0.000 0.287 39 Y C 2.660 178.352 175.900 -0.347 0.000 1.156 39 Y CA 0.325 57.947 58.100 -0.796 0.000 1.182 39 Y CB -0.784 37.087 38.460 -0.981 0.000 0.979 39 Y HN 0.228 nan 8.280 nan 0.000 0.521 40 A N 0.212 123.017 122.820 -0.024 0.000 1.902 40 A HA -0.242 4.090 4.320 0.019 0.000 0.217 40 A C 2.062 179.667 177.584 0.035 0.000 1.181 40 A CA 1.526 53.576 52.037 0.021 0.000 0.623 40 A CB -0.750 18.265 19.000 0.025 0.000 0.818 40 A HN 0.471 nan 8.150 nan 0.000 0.443 41 Q N -0.477 119.346 119.800 0.038 0.000 2.077 41 Q HA -0.165 4.186 4.340 0.019 0.000 0.206 41 Q C 2.189 178.202 176.000 0.023 0.000 0.989 41 Q CA 1.978 57.816 55.803 0.059 0.000 0.853 41 Q CB -0.348 28.460 28.738 0.116 0.000 0.907 41 Q HN 0.524 nan 8.270 nan 0.000 0.418 42 V N 1.233 121.113 119.914 -0.056 0.000 2.343 42 V HA -0.221 3.910 4.120 0.019 0.000 0.247 42 V C 2.076 178.194 176.094 0.041 0.000 1.051 42 V CA 1.686 63.972 62.300 -0.023 0.000 1.036 42 V CB -0.448 31.348 31.823 -0.045 0.000 0.654 42 V HN 0.316 nan 8.190 nan 0.000 0.451 43 E N -0.508 119.737 120.200 0.075 0.000 2.152 43 E HA -0.113 4.248 4.350 0.019 0.000 0.192 43 E C 2.149 178.777 176.600 0.047 0.000 0.983 43 E CA 1.070 57.513 56.400 0.071 0.000 0.818 43 E CB -0.244 29.511 29.700 0.092 0.000 0.758 43 E HN 0.555 nan 8.360 nan 0.000 0.467 44 M N 0.089 119.718 119.600 0.048 0.000 2.175 44 M HA -0.070 4.421 4.480 0.019 0.000 0.264 44 M C 2.289 178.615 176.300 0.043 0.000 1.063 44 M CA 1.056 56.384 55.300 0.048 0.000 1.119 44 M CB -0.185 32.451 32.600 0.059 0.000 1.377 44 M HN 0.036 nan 8.290 nan 0.000 0.415 45 I N -0.712 119.884 120.570 0.042 0.000 2.226 45 I HA -0.251 3.930 4.170 0.019 0.000 0.245 45 I C 2.292 178.421 176.117 0.020 0.000 1.100 45 I CA 1.096 62.416 61.300 0.033 0.000 1.374 45 I CB -0.318 37.701 38.000 0.033 0.000 1.057 45 I HN 0.178 nan 8.210 nan 0.000 0.413 46 S N -0.285 115.425 115.700 0.017 0.000 2.428 46 S HA -0.122 4.359 4.470 0.019 0.000 0.230 46 S C 0.938 175.544 174.600 0.009 0.000 1.014 46 S CA 0.806 59.010 58.200 0.006 0.000 0.957 46 S CB -0.389 62.809 63.200 -0.004 0.000 0.784 46 S HN 0.484 nan 8.310 nan 0.000 0.499 47 N N 0.401 119.112 118.700 0.017 0.000 2.707 47 N HA 0.242 4.993 4.740 0.019 0.000 0.249 47 N C -2.952 172.572 175.510 0.023 0.000 1.299 47 N CA -1.405 51.656 53.050 0.018 0.000 0.769 47 N CB 1.224 39.721 38.487 0.017 0.000 1.236 47 N HN -0.123 nan 8.380 nan 0.000 0.524 48 P HA -0.005 nan 4.420 nan 0.000 0.239 48 P C 0.939 178.255 177.300 0.025 0.000 1.184 48 P CA 0.812 63.928 63.100 0.027 0.000 0.760 48 P CB 0.106 31.822 31.700 0.026 0.000 0.884 49 E N 0.011 120.224 120.200 0.022 0.000 2.418 49 E HA -0.066 4.295 4.350 0.019 0.000 0.197 49 E C 1.498 178.112 176.600 0.023 0.000 1.026 49 E CA 0.768 57.180 56.400 0.021 0.000 0.862 49 E CB -1.306 28.404 29.700 0.017 0.000 0.799 49 E HN 0.312 nan 8.360 nan 0.000 0.518 50 L N -1.494 119.745 121.223 0.027 0.000 2.640 50 L HA 0.256 4.607 4.340 0.019 0.000 0.230 50 L C 2.900 179.791 176.870 0.036 0.000 1.123 50 L CA 0.670 55.528 54.840 0.030 0.000 0.900 50 L CB 0.280 42.358 42.059 0.032 0.000 1.146 50 L HN 0.276 nan 8.230 nan 0.000 0.484 51 K N 0.371 120.794 120.400 0.037 0.000 2.211 51 K HA -0.064 4.267 4.320 0.019 0.000 0.203 51 K C 1.356 177.982 176.600 0.043 0.000 1.050 51 K CA 1.735 58.049 56.287 0.044 0.000 0.945 51 K CB -1.305 31.223 32.500 0.045 0.000 0.732 51 K HN 0.568 nan 8.250 nan 0.000 0.451 52 D N 0.363 120.785 120.400 0.036 0.000 2.440 52 D HA 0.268 4.919 4.640 0.019 0.000 0.216 52 D C 0.397 176.716 176.300 0.032 0.000 1.150 52 D CA -0.205 53.815 54.000 0.033 0.000 0.832 52 D CB 0.089 40.905 40.800 0.028 0.000 0.992 52 D HN 0.538 nan 8.370 nan 0.000 0.502 53 K N 0.997 121.416 120.400 0.032 0.000 2.267 53 K HA 0.482 4.813 4.320 0.019 0.000 0.246 53 K C -2.804 173.814 176.600 0.031 0.000 0.954 53 K CA -1.974 54.331 56.287 0.029 0.000 0.824 53 K CB 2.719 35.234 32.500 0.025 0.000 1.167 53 K HN -0.010 nan 8.250 nan 0.000 0.431 54 P HA -0.002 nan 4.420 nan 0.000 0.266 54 P C -1.154 176.159 177.300 0.021 0.000 1.215 54 P CA -0.163 62.951 63.100 0.023 0.000 0.763 54 P CB 0.507 32.217 31.700 0.017 0.000 0.806 55 L N 3.958 125.194 121.223 0.021 0.000 2.386 55 L HA 0.842 5.193 4.340 0.019 0.000 0.271 55 L C -0.363 176.513 176.870 0.011 0.000 0.993 55 L CA -0.353 54.500 54.840 0.021 0.000 0.819 55 L CB 2.159 44.237 42.059 0.031 0.000 1.294 55 L HN 0.489 nan 8.230 nan 0.000 0.414 56 G N 3.388 112.195 108.800 0.013 0.000 2.591 56 G HA2 0.606 4.577 3.960 0.019 0.000 0.306 56 G HA3 0.606 4.577 3.960 0.019 0.000 0.306 56 G C -1.783 173.130 174.900 0.021 0.000 1.334 56 G CA -0.559 44.544 45.100 0.005 0.000 0.981 56 G HN 0.483 nan 8.290 nan 0.000 0.491 57 V N 1.701 121.629 119.914 0.024 0.000 2.370 57 V HA 0.404 4.536 4.120 0.019 0.000 0.279 57 V C 0.192 176.313 176.094 0.045 0.000 1.029 57 V CA -0.574 61.760 62.300 0.057 0.000 0.870 57 V CB 1.226 33.102 31.823 0.088 0.000 0.984 57 V HN 0.806 nan 8.190 nan 0.000 0.451 58 Q N 4.300 124.129 119.800 0.047 0.000 2.271 58 Q HA 0.508 4.859 4.340 0.019 0.000 0.258 58 Q C -1.021 174.992 176.000 0.023 0.000 0.936 58 Q CA -0.586 55.231 55.803 0.023 0.000 0.909 58 Q CB 1.507 30.259 28.738 0.024 0.000 1.253 58 Q HN 0.747 nan 8.270 nan 0.000 0.440 59 Q N 3.811 123.599 119.800 -0.021 0.000 2.309 59 Q HA 0.279 4.630 4.340 0.019 0.000 0.270 59 Q C -0.508 175.415 176.000 -0.128 0.000 1.023 59 Q CA -0.791 54.987 55.803 -0.043 0.000 0.758 59 Q CB 1.693 30.409 28.738 -0.036 0.000 1.247 59 Q HN 0.682 nan 8.270 nan 0.000 0.455 60 K N 0.228 120.583 120.400 -0.075 0.000 1.692 60 K HA -0.301 4.030 4.320 0.019 0.000 0.132 60 K C 0.898 177.475 176.600 -0.038 0.000 1.028 60 K CA 2.521 58.767 56.287 -0.068 0.000 0.304 60 K CB -1.481 30.925 32.500 -0.156 0.000 0.686 60 K HN 0.914 nan 8.250 nan 0.000 0.815 61 Y N 0.806 121.116 120.300 0.017 0.000 2.485 61 Y HA 0.593 5.154 4.550 0.018 0.000 0.260 61 Y C 0.671 176.573 175.900 0.004 0.000 1.173 61 Y CA -0.585 57.521 58.100 0.011 0.000 1.252 61 Y CB 0.230 38.696 38.460 0.010 0.000 1.123 61 Y HN 0.171 nan 8.280 nan 0.000 0.524 62 L N 1.317 122.398 121.223 -0.238 0.000 2.334 62 L HA 0.514 4.865 4.340 0.019 0.000 0.276 62 L C -0.619 176.210 176.870 -0.070 0.000 1.014 62 L CA -1.420 53.333 54.840 -0.144 0.000 0.815 62 L CB 2.419 44.317 42.059 -0.269 0.000 1.268 62 L HN -0.178 nan 8.230 nan 0.000 0.428 63 V N 4.059 123.953 119.914 -0.032 0.000 2.338 63 V HA -0.001 4.130 4.120 0.019 0.000 0.255 63 V C 1.124 177.185 176.094 -0.055 0.000 1.082 63 V CA -0.199 62.083 62.300 -0.030 0.000 0.951 63 V CB 1.009 32.820 31.823 -0.019 0.000 1.102 63 V HN 0.726 nan 8.190 nan 0.000 0.489 64 V N 1.922 121.802 119.914 -0.058 0.000 2.667 64 V HA 0.110 4.241 4.120 0.019 0.000 0.252 64 V C 0.807 176.821 176.094 -0.133 0.000 1.065 64 V CA 1.692 63.937 62.300 -0.093 0.000 1.083 64 V CB 0.089 31.865 31.823 -0.078 0.000 0.692 64 V HN 0.767 nan 8.190 nan 0.000 0.468 65 T N -0.594 113.893 114.554 -0.111 0.000 2.786 65 T HA 0.620 4.981 4.350 0.019 0.000 0.316 65 T C -1.326 173.322 174.700 -0.087 0.000 1.503 65 T CA 0.034 62.054 62.100 -0.133 0.000 1.019 65 T CB 1.362 70.109 68.868 -0.201 0.000 1.415 65 T HN 1.045 nan 8.240 nan 0.000 0.496 66 C N 2.170 121.408 119.300 -0.103 0.000 3.173 66 C HA 0.788 5.259 4.460 0.019 0.000 0.310 66 C C 0.068 175.006 174.990 -0.086 0.000 1.306 66 C CA -1.359 57.615 59.018 -0.073 0.000 1.426 66 C CB 0.313 28.010 27.740 -0.072 0.000 1.800 66 C HN 1.140 nan 8.230 nan 0.000 0.470 67 N N -0.173 118.514 118.700 -0.021 0.000 2.399 67 N HA 0.142 4.893 4.740 0.019 0.000 0.250 67 N C 0.092 175.614 175.510 0.019 0.000 1.272 67 N CA -0.312 52.764 53.050 0.044 0.000 0.928 67 N CB 0.615 39.154 38.487 0.087 0.000 1.158 67 N HN 0.723 nan 8.380 nan 0.000 0.463 68 Y N -0.785 119.521 120.300 0.010 0.000 2.483 68 Y HA -0.147 4.416 4.550 0.021 0.000 0.291 68 Y C 2.444 178.349 175.900 0.008 0.000 1.143 68 Y CA 1.003 59.107 58.100 0.008 0.000 1.289 68 Y CB -0.334 38.132 38.460 0.011 0.000 0.983 68 Y HN 0.766 nan 8.280 nan 0.000 0.556 69 E N 0.057 120.335 120.200 0.131 0.000 2.150 69 E HA -0.156 4.205 4.350 0.019 0.000 0.193 69 E C 2.225 178.847 176.600 0.037 0.000 0.985 69 E CA 1.039 57.485 56.400 0.075 0.000 0.814 69 E CB -0.104 29.635 29.700 0.065 0.000 0.752 69 E HN 0.361 nan 8.360 nan 0.000 0.466 70 A N 0.550 123.379 122.820 0.015 0.000 1.975 70 A HA 0.022 4.353 4.320 0.019 0.000 0.215 70 A C 2.077 179.644 177.584 -0.029 0.000 1.170 70 A CA 0.689 52.721 52.037 -0.008 0.000 0.656 70 A CB -0.192 18.797 19.000 -0.018 0.000 0.821 70 A HN 0.121 nan 8.150 nan 0.000 0.449 71 R N 0.163 120.629 120.500 -0.057 0.000 2.096 71 R HA -0.080 4.271 4.340 0.019 0.000 0.235 71 R C 1.957 178.243 176.300 -0.025 0.000 1.127 71 R CA 1.477 57.528 56.100 -0.082 0.000 0.968 71 R CB -0.201 29.986 30.300 -0.189 0.000 0.861 71 R HN 0.426 nan 8.270 nan 0.000 0.440 72 K N 0.470 120.877 120.400 0.012 0.000 2.152 72 K HA -0.097 4.234 4.320 0.019 0.000 0.206 72 K C 1.452 178.059 176.600 0.012 0.000 1.048 72 K CA 0.935 57.237 56.287 0.025 0.000 0.933 72 K CB 0.033 32.558 32.500 0.041 0.000 0.721 72 K HN 0.255 nan 8.250 nan 0.000 0.447 73 L N -0.164 121.062 121.223 0.005 0.000 2.653 73 L HA 0.144 4.495 4.340 0.019 0.000 0.232 73 L C 1.071 177.938 176.870 -0.005 0.000 1.169 73 L CA 0.354 55.195 54.840 0.002 0.000 0.951 73 L CB -0.105 41.956 42.059 0.004 0.000 1.181 73 L HN 0.407 nan 8.230 nan 0.000 0.460 74 G N 0.055 108.848 108.800 -0.011 0.000 2.195 74 G HA2 -0.267 3.705 3.960 0.019 0.000 0.246 74 G HA3 -0.267 3.705 3.960 0.019 0.000 0.246 74 G C 0.372 175.257 174.900 -0.025 0.000 0.984 74 G CA 0.049 45.139 45.100 -0.016 0.000 0.633 74 G HN 0.130 nan 8.290 nan 0.000 0.525 75 V N 1.273 121.170 119.914 -0.029 0.000 2.529 75 V HA 0.541 4.672 4.120 0.019 0.000 0.292 75 V C 0.806 176.865 176.094 -0.059 0.000 1.028 75 V CA 1.153 63.431 62.300 -0.037 0.000 1.074 75 V CB 0.586 32.388 31.823 -0.035 0.000 0.958 75 V HN 0.932 nan 8.190 nan 0.000 0.481 76 K N 4.287 124.653 120.400 -0.057 0.000 2.281 76 K HA 0.600 4.931 4.320 0.019 0.000 0.242 76 K C -0.133 176.420 176.600 -0.079 0.000 0.971 76 K CA -1.053 55.191 56.287 -0.073 0.000 0.834 76 K CB 1.008 33.473 32.500 -0.058 0.000 1.181 76 K HN 0.694 nan 8.250 nan 0.000 0.435 77 K N 1.393 121.734 120.400 -0.098 0.000 2.448 77 K HA 0.253 4.584 4.320 0.019 0.000 0.278 77 K C -0.071 176.478 176.600 -0.085 0.000 1.009 77 K CA 0.270 56.494 56.287 -0.105 0.000 0.995 77 K CB -0.035 32.390 32.500 -0.124 0.000 0.917 77 K HN 0.643 nan 8.250 nan 0.000 0.481 78 L N 0.508 121.681 121.223 -0.084 0.000 4.089 78 L HA -0.244 4.108 4.340 0.019 0.000 0.408 78 L C -0.005 176.843 176.870 -0.038 0.000 1.184 78 L CA 0.148 54.947 54.840 -0.070 0.000 0.947 78 L CB -1.486 40.527 42.059 -0.076 0.000 2.066 78 L HN 0.773 nan 8.230 nan 0.000 0.851 79 M N 1.209 120.791 119.600 -0.031 0.000 2.180 79 M HA 0.270 4.761 4.480 0.019 0.000 0.358 79 M C 0.852 177.167 176.300 0.026 0.000 1.233 79 M CA -0.020 55.276 55.300 -0.006 0.000 1.114 79 M CB 0.815 33.405 32.600 -0.017 0.000 1.594 79 M HN 0.187 nan 8.290 nan 0.000 0.467 80 N N 3.099 121.835 118.700 0.059 0.000 2.219 80 N HA -0.073 4.678 4.740 0.019 0.000 0.263 80 N C 0.712 176.267 175.510 0.075 0.000 1.269 80 N CA 0.149 53.264 53.050 0.108 0.000 0.831 80 N CB 0.891 39.425 38.487 0.078 0.000 1.059 80 N HN 0.645 nan 8.380 nan 0.000 0.475 81 V N 5.170 125.144 119.914 0.100 0.000 2.594 81 V HA -0.213 3.918 4.120 0.019 0.000 0.253 81 V C 2.427 178.549 176.094 0.047 0.000 1.069 81 V CA 1.569 63.908 62.300 0.065 0.000 1.082 81 V CB -0.378 31.490 31.823 0.076 0.000 0.680 81 V HN 0.640 nan 8.190 nan 0.000 0.469 82 R N -0.021 120.507 120.500 0.047 0.000 2.075 82 R HA -0.156 4.195 4.340 0.019 0.000 0.230 82 R C 2.195 178.505 176.300 0.017 0.000 1.140 82 R CA 1.980 58.095 56.100 0.026 0.000 0.928 82 R CB -0.457 29.852 30.300 0.015 0.000 0.834 82 R HN 0.509 nan 8.270 nan 0.000 0.429 83 D N 0.218 120.628 120.400 0.016 0.000 2.144 83 D HA -0.141 4.510 4.640 0.019 0.000 0.199 83 D C 1.717 178.021 176.300 0.006 0.000 0.984 83 D CA 1.440 55.445 54.000 0.008 0.000 0.834 83 D CB -0.155 40.649 40.800 0.006 0.000 0.955 83 D HN 0.298 nan 8.370 nan 0.000 0.465 84 A N 0.945 123.771 122.820 0.010 0.000 1.969 84 A HA -0.148 4.183 4.320 0.019 0.000 0.218 84 A C 2.053 179.640 177.584 0.005 0.000 1.169 84 A CA 1.128 53.167 52.037 0.004 0.000 0.635 84 A CB -0.160 18.842 19.000 0.004 0.000 0.810 84 A HN 0.073 nan 8.150 nan 0.000 0.445 85 K N -1.007 119.399 120.400 0.010 0.000 2.361 85 K HA 0.049 4.380 4.320 0.019 0.000 0.196 85 K C 1.988 178.593 176.600 0.008 0.000 1.039 85 K CA 0.890 57.183 56.287 0.010 0.000 1.001 85 K CB 0.108 32.617 32.500 0.014 0.000 0.795 85 K HN 0.602 nan 8.250 nan 0.000 0.495 86 E N 1.451 121.655 120.200 0.007 0.000 2.435 86 E HA -0.080 4.282 4.350 0.019 0.000 0.195 86 E C 1.873 178.475 176.600 0.003 0.000 1.029 86 E CA 1.244 57.647 56.400 0.004 0.000 0.865 86 E CB -0.552 29.150 29.700 0.003 0.000 0.833 86 E HN 0.399 nan 8.360 nan 0.000 0.510 87 K N -0.786 119.615 120.400 0.002 0.000 2.168 87 K HA 0.327 4.658 4.320 0.019 0.000 0.201 87 K C 1.434 178.035 176.600 0.001 0.000 1.049 87 K CA 0.925 57.212 56.287 -0.000 0.000 0.974 87 K CB -0.408 32.090 32.500 -0.003 0.000 0.792 87 K HN 0.718 nan 8.250 nan 0.000 0.463 88 C N 1.943 121.244 119.300 0.002 0.000 2.814 88 C HA 0.559 5.030 4.460 0.019 0.000 0.269 88 C C -2.395 172.599 174.990 0.006 0.000 1.090 88 C CA -1.773 57.248 59.018 0.004 0.000 1.492 88 C CB 0.874 28.616 27.740 0.002 0.000 1.825 88 C HN 0.377 nan 8.230 nan 0.000 0.442 89 P HA -0.096 nan 4.420 nan 0.000 0.228 89 P C 1.090 178.396 177.300 0.009 0.000 1.151 89 P CA 1.131 64.236 63.100 0.008 0.000 0.770 89 P CB -0.033 31.671 31.700 0.007 0.000 0.786 90 Q N -0.729 119.077 119.800 0.010 0.000 2.320 90 Q HA 0.076 4.427 4.340 0.019 0.000 0.201 90 Q C 0.117 176.124 176.000 0.012 0.000 0.910 90 Q CA -0.381 55.428 55.803 0.011 0.000 0.946 90 Q CB -0.225 28.520 28.738 0.011 0.000 1.062 90 Q HN 0.113 nan 8.270 nan 0.000 0.503 91 L N 1.448 122.678 121.223 0.011 0.000 2.477 91 L HA 0.106 4.458 4.340 0.019 0.000 0.272 91 L C -0.805 176.074 176.870 0.015 0.000 1.157 91 L CA 0.351 55.198 54.840 0.012 0.000 0.889 91 L CB 0.933 42.997 42.059 0.009 0.000 1.158 91 L HN -0.167 nan 8.230 nan 0.000 0.473 92 V N 7.187 127.111 119.914 0.016 0.000 2.461 92 V HA 0.279 4.410 4.120 0.019 0.000 0.275 92 V C 0.305 176.411 176.094 0.021 0.000 1.047 92 V CA -0.420 61.891 62.300 0.019 0.000 0.955 92 V CB 1.116 32.951 31.823 0.021 0.000 0.988 92 V HN 0.565 nan 8.190 nan 0.000 0.471 93 L N 5.723 126.960 121.223 0.022 0.000 2.322 93 L HA 0.667 5.018 4.340 0.019 0.000 0.281 93 L C -0.644 176.243 176.870 0.030 0.000 1.014 93 L CA -0.628 54.228 54.840 0.026 0.000 0.815 93 L CB 2.019 44.093 42.059 0.025 0.000 1.247 93 L HN 0.348 nan 8.230 nan 0.000 0.421 94 V N 2.196 122.133 119.914 0.038 0.000 2.680 94 V HA 0.269 4.400 4.120 0.019 0.000 0.309 94 V C -0.199 175.927 176.094 0.054 0.000 1.052 94 V CA -0.861 61.465 62.300 0.043 0.000 0.908 94 V CB 2.172 34.026 31.823 0.050 0.000 1.001 94 V HN 0.710 nan 8.190 nan 0.000 0.431 95 N N 2.479 121.206 118.700 0.045 0.000 2.442 95 N HA 0.389 5.141 4.740 0.019 0.000 0.265 95 N C 0.726 176.280 175.510 0.072 0.000 1.138 95 N CA 0.450 53.528 53.050 0.048 0.000 0.956 95 N CB 1.119 39.623 38.487 0.030 0.000 1.067 95 N HN 0.905 nan 8.380 nan 0.000 0.474 96 G N 2.277 111.143 108.800 0.109 0.000 3.774 96 G HA2 0.037 4.008 3.960 0.019 0.000 0.287 96 G HA3 0.037 4.008 3.960 0.019 0.000 0.287 96 G C 0.612 175.605 174.900 0.155 0.000 1.030 96 G CA -0.239 44.983 45.100 0.203 0.000 0.824 96 G HN 0.637 nan 8.290 nan 0.000 0.518 97 E N 0.318 120.562 120.200 0.073 0.000 2.072 97 E HA -0.086 4.275 4.350 0.019 0.000 0.191 97 E C 0.458 177.079 176.600 0.036 0.000 0.985 97 E CA 0.545 56.977 56.400 0.052 0.000 0.801 97 E CB 0.195 29.915 29.700 0.032 0.000 0.750 97 E HN 0.277 nan 8.360 nan 0.000 0.452 98 D N 0.485 120.879 120.400 -0.010 0.000 2.336 98 D HA 0.013 4.664 4.640 0.019 0.000 0.249 98 D C 0.563 176.785 176.300 -0.130 0.000 1.213 98 D CA 0.042 54.013 54.000 -0.048 0.000 0.870 98 D CB 0.776 41.532 40.800 -0.074 0.000 1.076 98 D HN 0.047 nan 8.370 nan 0.000 0.483 99 L N 3.037 124.246 121.223 -0.022 0.000 2.599 99 L HA -0.045 4.307 4.340 0.019 0.000 0.230 99 L C 2.052 178.890 176.870 -0.053 0.000 1.141 99 L CA 0.099 54.958 54.840 0.032 0.000 0.877 99 L CB -0.509 41.733 42.059 0.306 0.000 1.009 99 L HN 0.379 nan 8.230 nan 0.000 0.447 100 T N 0.086 114.584 114.554 -0.094 0.000 2.564 100 T HA -0.258 4.103 4.350 0.019 0.000 0.264 100 T C 2.030 176.656 174.700 -0.122 0.000 1.100 100 T CA 1.595 63.653 62.100 -0.071 0.000 1.171 100 T CB -0.190 68.638 68.868 -0.067 0.000 0.863 100 T HN 0.307 nan 8.240 nan 0.000 0.430 101 R N 0.292 120.616 120.500 -0.293 0.000 2.092 101 R HA -0.005 4.346 4.340 0.019 0.000 0.231 101 R C 2.327 178.523 176.300 -0.173 0.000 1.119 101 R CA 1.229 57.172 56.100 -0.261 0.000 0.970 101 R CB -1.041 29.046 30.300 -0.355 0.000 0.864 101 R HN 0.562 nan 8.270 nan 0.000 0.440 102 Y N 0.754 121.009 120.300 -0.075 0.000 2.200 102 Y HA -0.019 4.542 4.550 0.019 0.000 0.290 102 Y C 2.569 178.568 175.900 0.166 0.000 1.137 102 Y CA 0.646 58.742 58.100 -0.006 0.000 1.163 102 Y CB -0.733 37.664 38.460 -0.106 0.000 0.988 102 Y HN -0.010 nan 8.280 nan 0.000 0.518 103 R N 0.753 121.340 120.500 0.144 0.000 2.073 103 R HA -0.182 4.169 4.340 0.019 0.000 0.234 103 R C 1.978 178.283 176.300 0.009 0.000 1.134 103 R CA 1.839 57.791 56.100 -0.247 0.000 0.952 103 R CB -0.148 30.104 30.300 -0.080 0.000 0.850 103 R HN 0.434 nan 8.270 nan 0.000 0.433 104 E N -0.205 120.039 120.200 0.073 0.000 2.038 104 E HA -0.234 4.127 4.350 0.019 0.000 0.195 104 E C 2.099 178.780 176.600 0.135 0.000 1.000 104 E CA 1.490 57.951 56.400 0.102 0.000 0.803 104 E CB -0.066 29.663 29.700 0.048 0.000 0.750 104 E HN 0.281 nan 8.360 nan 0.000 0.448 105 M N 0.442 120.139 119.600 0.162 0.000 2.159 105 M HA -0.154 4.337 4.480 0.019 0.000 0.263 105 M C 2.522 178.964 176.300 0.237 0.000 1.063 105 M CA 1.057 56.494 55.300 0.229 0.000 1.110 105 M CB -0.729 32.046 32.600 0.291 0.000 1.374 105 M HN 0.073 nan 8.290 nan 0.000 0.411 106 S N -0.459 115.369 115.700 0.213 0.000 2.365 106 S HA -0.195 4.287 4.470 0.019 0.000 0.225 106 S C 1.821 176.269 174.600 -0.253 0.000 1.039 106 S CA 1.448 59.567 58.200 -0.134 0.000 1.033 106 S CB -0.277 62.660 63.200 -0.439 0.000 0.887 106 S HN 0.483 nan 8.310 nan 0.000 0.447 107 Y N 1.360 121.616 120.300 -0.072 0.000 2.314 107 Y HA 0.074 4.636 4.550 0.019 0.000 0.293 107 Y C 2.455 178.349 175.900 -0.010 0.000 1.129 107 Y CA 1.109 59.178 58.100 -0.051 0.000 1.201 107 Y CB -0.042 38.387 38.460 -0.053 0.000 0.999 107 Y HN 0.215 nan 8.280 nan 0.000 0.541 108 K N -0.423 120.060 120.400 0.137 0.000 2.097 108 K HA -0.155 4.176 4.320 0.019 0.000 0.206 108 K C 1.952 178.592 176.600 0.066 0.000 1.049 108 K CA 1.555 57.901 56.287 0.099 0.000 0.933 108 K CB -0.418 32.137 32.500 0.093 0.000 0.717 108 K HN 0.135 nan 8.250 nan 0.000 0.442 109 V N 1.226 121.159 119.914 0.031 0.000 2.295 109 V HA -0.243 3.888 4.120 0.019 0.000 0.246 109 V C 2.181 178.264 176.094 -0.018 0.000 1.049 109 V CA 2.140 64.436 62.300 -0.007 0.000 1.024 109 V CB -0.715 31.064 31.823 -0.073 0.000 0.648 109 V HN 0.386 nan 8.190 nan 0.000 0.447 110 T N -0.316 114.207 114.554 -0.052 0.000 2.720 110 T HA -0.241 4.120 4.350 0.019 0.000 0.268 110 T C 1.805 176.536 174.700 0.050 0.000 1.037 110 T CA 1.850 63.935 62.100 -0.026 0.000 1.144 110 T CB -0.295 68.531 68.868 -0.071 0.000 0.864 110 T HN 0.591 nan 8.240 nan 0.000 0.444 111 E N 0.389 120.638 120.200 0.082 0.000 2.077 111 E HA -0.104 4.257 4.350 0.019 0.000 0.193 111 E C 2.143 178.798 176.600 0.093 0.000 0.989 111 E CA 0.724 57.179 56.400 0.092 0.000 0.800 111 E CB -0.235 29.520 29.700 0.093 0.000 0.746 111 E HN 0.205 nan 8.360 nan 0.000 0.452 112 L N 1.175 122.456 121.223 0.096 0.000 1.994 112 L HA -0.173 4.178 4.340 0.019 0.000 0.208 112 L C 2.035 179.043 176.870 0.229 0.000 1.071 112 L CA 1.607 56.530 54.840 0.138 0.000 0.745 112 L CB -0.640 41.494 42.059 0.126 0.000 0.892 112 L HN 0.127 nan 8.230 nan 0.000 0.431 113 L N -0.576 120.743 121.223 0.160 0.000 2.042 113 L HA -0.244 4.107 4.340 0.019 0.000 0.210 113 L C 2.454 179.454 176.870 0.217 0.000 1.076 113 L CA 1.602 56.541 54.840 0.165 0.000 0.749 113 L CB -0.751 41.318 42.059 0.016 0.000 0.893 113 L HN 0.368 nan 8.230 nan 0.000 0.432 114 E N -0.155 120.131 120.200 0.144 0.000 2.265 114 E HA -0.249 4.113 4.350 0.019 0.000 0.196 114 E C 1.996 178.664 176.600 0.114 0.000 0.996 114 E CA 0.762 57.233 56.400 0.118 0.000 0.832 114 E CB -0.015 29.738 29.700 0.087 0.000 0.756 114 E HN 0.479 nan 8.360 nan 0.000 0.491 115 E N -0.365 119.907 120.200 0.120 0.000 2.208 115 E HA -0.138 4.223 4.350 0.019 0.000 0.193 115 E C 1.355 177.926 176.600 -0.047 0.000 0.988 115 E CA 0.551 56.963 56.400 0.020 0.000 0.828 115 E CB 0.097 29.779 29.700 -0.029 0.000 0.763 115 E HN 0.198 nan 8.360 nan 0.000 0.478 116 F N 0.074 120.034 119.950 0.017 0.000 2.098 116 F HA 0.020 4.559 4.527 0.020 0.000 0.294 116 F C 1.324 177.136 175.800 0.019 0.000 1.107 116 F CA 0.605 58.615 58.000 0.017 0.000 1.234 116 F CB 0.222 39.231 39.000 0.016 0.000 1.002 116 F HN -0.214 nan 8.300 nan 0.000 0.472 117 S N -0.647 115.188 115.700 0.226 0.000 2.546 117 S HA 0.318 4.799 4.470 0.019 0.000 0.272 117 S C -2.146 172.518 174.600 0.106 0.000 1.140 117 S CA -1.321 56.958 58.200 0.132 0.000 0.920 117 S CB 1.661 64.936 63.200 0.124 0.000 1.083 117 S HN -0.200 nan 8.310 nan 0.000 0.476 118 P HA 0.053 nan 4.420 nan 0.000 0.225 118 P C 0.199 177.538 177.300 0.065 0.000 1.156 118 P CA 0.494 63.633 63.100 0.065 0.000 0.787 118 P CB 0.011 31.741 31.700 0.049 0.000 0.802 119 V N 2.154 122.106 119.914 0.064 0.000 2.313 119 V HA 0.103 4.234 4.120 0.019 0.000 0.252 119 V C 0.239 176.378 176.094 0.074 0.000 1.112 119 V CA -0.048 62.289 62.300 0.061 0.000 0.984 119 V CB 0.559 32.412 31.823 0.050 0.000 1.157 119 V HN -0.181 nan 8.190 nan 0.000 0.493 120 V N 4.280 124.240 119.914 0.077 0.000 2.487 120 V HA 0.427 4.558 4.120 0.019 0.000 0.298 120 V C -0.087 176.062 176.094 0.091 0.000 1.028 120 V CA -0.746 61.605 62.300 0.084 0.000 0.860 120 V CB 2.117 33.978 31.823 0.064 0.000 0.991 120 V HN 0.817 nan 8.190 nan 0.000 0.427 121 E N 4.347 124.627 120.200 0.134 0.000 2.133 121 E HA 0.476 4.837 4.350 0.019 0.000 0.274 121 E C -0.392 176.308 176.600 0.167 0.000 0.930 121 E CA -0.727 55.769 56.400 0.159 0.000 0.770 121 E CB 1.045 30.871 29.700 0.210 0.000 1.104 121 E HN 0.554 nan 8.360 nan 0.000 0.403 122 R N 2.884 123.440 120.500 0.094 0.000 2.410 122 R HA 0.368 4.720 4.340 0.019 0.000 0.288 122 R C -0.793 175.564 176.300 0.095 0.000 1.051 122 R CA -0.664 55.456 56.100 0.033 0.000 1.021 122 R CB 0.783 31.064 30.300 -0.031 0.000 1.032 122 R HN 0.313 nan 8.270 nan 0.000 0.481 123 L N 2.688 123.948 121.223 0.062 0.000 2.427 123 L HA 0.408 4.759 4.340 0.019 0.000 0.264 123 L C 0.211 177.105 176.870 0.039 0.000 0.989 123 L CA 0.573 55.471 54.840 0.098 0.000 0.865 123 L CB 1.163 43.332 42.059 0.183 0.000 1.209 123 L HN 0.874 nan 8.230 nan 0.000 0.430 124 G N 3.334 112.170 108.800 0.060 0.000 2.601 124 G HA2 -0.353 3.618 3.960 0.019 0.000 0.261 124 G HA3 -0.353 3.618 3.960 0.019 0.000 0.261 124 G C 0.319 175.345 174.900 0.210 0.000 1.289 124 G CA 0.397 45.547 45.100 0.083 0.000 0.920 124 G HN 0.418 nan 8.290 nan 0.000 0.571 125 F N 1.716 121.613 119.950 -0.088 0.000 2.664 125 F HA 0.225 4.763 4.527 0.018 0.000 0.296 125 F C 2.203 177.746 175.800 -0.428 0.000 1.125 125 F CA 1.302 59.220 58.000 -0.137 0.000 1.444 125 F CB 0.157 39.255 39.000 0.164 0.000 1.114 125 F HN 0.580 nan 8.300 nan 0.000 0.576 126 D N -1.088 119.174 120.400 -0.230 0.000 2.527 126 D HA 0.040 4.691 4.640 0.019 0.000 0.224 126 D C -0.135 175.950 176.300 -0.359 0.000 1.217 126 D CA 0.193 53.883 54.000 -0.518 0.000 0.819 126 D CB 0.153 40.630 40.800 -0.538 0.000 1.061 126 D HN 0.206 nan 8.370 nan 0.000 0.515 127 E N 0.157 120.196 120.200 -0.269 0.000 2.256 127 E HA 0.486 4.847 4.350 0.019 0.000 0.267 127 E C -0.710 175.708 176.600 -0.304 0.000 0.892 127 E CA -0.831 55.371 56.400 -0.329 0.000 0.775 127 E CB 1.847 31.431 29.700 -0.193 0.000 1.207 127 E HN 0.031 nan 8.360 nan 0.000 0.420 128 N N 1.559 120.010 118.700 -0.414 0.000 2.277 128 N HA 0.399 5.150 4.740 0.019 0.000 0.286 128 N C -1.484 173.816 175.510 -0.351 0.000 1.140 128 N CA -0.488 52.402 53.050 -0.268 0.000 0.799 128 N CB 1.633 40.011 38.487 -0.183 0.000 1.596 128 N HN 0.231 nan 8.380 nan 0.000 0.473 129 F N 0.591 120.553 119.950 0.019 0.000 2.480 129 F HA 0.554 5.093 4.527 0.019 0.000 0.329 129 F C 0.214 176.022 175.800 0.013 0.000 1.091 129 F CA -0.748 57.280 58.000 0.047 0.000 0.972 129 F CB 1.727 40.764 39.000 0.062 0.000 1.150 129 F HN -0.022 nan 8.300 nan 0.000 0.467 130 V N 1.442 121.472 119.914 0.194 0.000 2.709 130 V HA 0.275 4.406 4.120 0.019 0.000 0.308 130 V C -0.971 175.190 176.094 0.111 0.000 1.062 130 V CA -0.938 61.432 62.300 0.116 0.000 0.901 130 V CB 1.920 33.773 31.823 0.050 0.000 1.003 130 V HN 0.614 nan 8.190 nan 0.000 0.425 131 D N 3.585 124.038 120.400 0.088 0.000 2.339 131 D HA 0.323 4.974 4.640 0.019 0.000 0.241 131 D C 0.492 176.830 176.300 0.062 0.000 1.183 131 D CA -0.052 53.988 54.000 0.067 0.000 0.859 131 D CB 1.543 42.372 40.800 0.048 0.000 1.067 131 D HN 0.518 nan 8.370 nan 0.000 0.484 132 L N 3.036 124.294 121.223 0.058 0.000 2.607 132 L HA 0.027 4.378 4.340 0.019 0.000 0.228 132 L C 2.100 179.000 176.870 0.050 0.000 1.123 132 L CA -0.062 54.812 54.840 0.057 0.000 0.890 132 L CB -0.014 42.075 42.059 0.049 0.000 1.103 132 L HN 0.336 nan 8.230 nan 0.000 0.468 133 T N 0.076 114.656 114.554 0.044 0.000 2.624 133 T HA -0.254 4.107 4.350 0.019 0.000 0.268 133 T C 1.678 176.400 174.700 0.036 0.000 1.041 133 T CA 1.830 63.952 62.100 0.037 0.000 1.159 133 T CB -0.095 68.791 68.868 0.030 0.000 0.863 133 T HN 0.430 nan 8.240 nan 0.000 0.434 134 E N 0.353 120.575 120.200 0.037 0.000 2.072 134 E HA -0.056 4.306 4.350 0.019 0.000 0.191 134 E C 2.242 178.866 176.600 0.039 0.000 0.985 134 E CA 0.868 57.288 56.400 0.034 0.000 0.801 134 E CB -0.243 29.476 29.700 0.033 0.000 0.750 134 E HN 0.416 nan 8.360 nan 0.000 0.452 135 M N 0.622 120.252 119.600 0.050 0.000 2.108 135 M HA -0.199 4.292 4.480 0.019 0.000 0.261 135 M C 2.248 178.578 176.300 0.051 0.000 1.066 135 M CA 1.314 56.649 55.300 0.058 0.000 1.107 135 M CB 0.031 32.681 32.600 0.084 0.000 1.356 135 M HN -0.006 nan 8.290 nan 0.000 0.406 136 V N 0.567 120.509 119.914 0.048 0.000 2.287 136 V HA -0.302 3.830 4.120 0.019 0.000 0.248 136 V C 1.994 178.109 176.094 0.035 0.000 1.053 136 V CA 2.273 64.598 62.300 0.042 0.000 1.027 136 V CB -0.805 31.043 31.823 0.040 0.000 0.646 136 V HN 0.534 nan 8.190 nan 0.000 0.447 137 E N -0.322 119.897 120.200 0.032 0.000 2.110 137 E HA -0.268 4.094 4.350 0.019 0.000 0.193 137 E C 2.272 178.887 176.600 0.024 0.000 0.988 137 E CA 1.284 57.700 56.400 0.027 0.000 0.804 137 E CB -0.144 29.570 29.700 0.024 0.000 0.745 137 E HN 0.507 nan 8.360 nan 0.000 0.458 138 K N 0.964 121.380 120.400 0.027 0.000 2.025 138 K HA -0.119 4.212 4.320 0.019 0.000 0.207 138 K C 2.178 178.792 176.600 0.023 0.000 1.049 138 K CA 1.039 57.340 56.287 0.024 0.000 0.933 138 K CB 0.107 32.622 32.500 0.025 0.000 0.714 138 K HN -0.031 nan 8.250 nan 0.000 0.438 139 R N 0.450 120.967 120.500 0.029 0.000 2.081 139 R HA -0.098 4.253 4.340 0.019 0.000 0.235 139 R C 2.418 178.732 176.300 0.024 0.000 1.131 139 R CA 1.281 57.398 56.100 0.028 0.000 0.960 139 R CB -0.375 29.945 30.300 0.035 0.000 0.856 139 R HN 0.227 nan 8.270 nan 0.000 0.436 140 L N 0.597 121.835 121.223 0.024 0.000 2.046 140 L HA -0.225 4.127 4.340 0.019 0.000 0.208 140 L C 3.185 180.066 176.870 0.018 0.000 1.077 140 L CA 1.841 56.694 54.840 0.021 0.000 0.747 140 L CB -1.008 41.064 42.059 0.023 0.000 0.896 140 L HN 0.369 nan 8.230 nan 0.000 0.432 141 Q N -0.576 119.234 119.800 0.017 0.000 2.297 141 Q HA -0.230 4.121 4.340 0.019 0.000 0.208 141 Q C 1.980 177.987 176.000 0.012 0.000 0.981 141 Q CA 1.373 57.184 55.803 0.014 0.000 0.876 141 Q CB -0.538 28.209 28.738 0.013 0.000 0.921 141 Q HN 0.481 nan 8.270 nan 0.000 0.446 142 Q N -1.148 118.660 119.800 0.013 0.000 2.392 142 Q HA 0.210 4.561 4.340 0.019 0.000 0.203 142 Q C -0.397 175.610 176.000 0.011 0.000 0.917 142 Q CA -0.044 55.766 55.803 0.012 0.000 0.939 142 Q CB 0.390 29.136 28.738 0.012 0.000 1.063 142 Q HN 0.472 nan 8.270 nan 0.000 0.516 143 L N 1.783 123.014 121.223 0.012 0.000 2.290 143 L HA 0.198 4.549 4.340 0.019 0.000 0.284 143 L C 0.511 177.386 176.870 0.010 0.000 1.078 143 L CA 0.119 54.966 54.840 0.012 0.000 0.815 143 L CB 0.590 42.657 42.059 0.014 0.000 1.162 143 L HN 0.091 nan 8.230 nan 0.000 0.435 144 Q N 2.369 122.174 119.800 0.008 0.000 2.337 144 Q HA 0.462 4.813 4.340 0.019 0.000 0.270 144 Q C 1.455 177.460 176.000 0.007 0.000 1.002 144 Q CA 0.372 56.179 55.803 0.007 0.000 0.888 144 Q CB -0.420 28.321 28.738 0.006 0.000 1.222 144 Q HN 1.008 nan 8.270 nan 0.000 0.400 145 S N 0.659 116.363 115.700 0.006 0.000 2.428 145 S HA -0.213 4.268 4.470 0.019 0.000 0.240 145 S C 1.899 176.502 174.600 0.006 0.000 1.036 145 S CA 2.596 60.800 58.200 0.006 0.000 1.009 145 S CB -1.179 62.024 63.200 0.005 0.000 0.803 145 S HN 1.249 nan 8.310 nan 0.000 0.486 146 D N 1.406 121.809 120.400 0.005 0.000 2.123 146 D HA -0.101 4.550 4.640 0.019 0.000 0.196 146 D C 1.706 178.010 176.300 0.006 0.000 0.992 146 D CA 1.444 55.447 54.000 0.005 0.000 0.833 146 D CB -0.709 40.094 40.800 0.004 0.000 0.954 146 D HN 0.921 nan 8.370 nan 0.000 0.455 147 E N -0.488 119.716 120.200 0.007 0.000 2.437 147 E HA 0.213 4.574 4.350 0.019 0.000 0.189 147 E C 1.109 177.715 176.600 0.010 0.000 1.054 147 E CA -0.265 56.140 56.400 0.008 0.000 0.874 147 E CB 0.353 30.058 29.700 0.008 0.000 1.011 147 E HN 0.335 nan 8.360 nan 0.000 0.474 148 L N 1.543 122.772 121.223 0.010 0.000 2.456 148 L HA -0.054 4.297 4.340 0.019 0.000 0.224 148 L C 1.673 178.552 176.870 0.014 0.000 1.148 148 L CA 1.476 56.324 54.840 0.013 0.000 0.825 148 L CB -0.059 42.008 42.059 0.012 0.000 0.937 148 L HN 0.293 nan 8.230 nan 0.000 0.450 149 S N -4.074 111.633 115.700 0.012 0.000 2.911 149 S HA 0.472 4.954 4.470 0.019 0.000 0.261 149 S C 1.459 176.064 174.600 0.009 0.000 1.021 149 S CA 0.224 58.431 58.200 0.012 0.000 1.222 149 S CB 0.309 63.515 63.200 0.011 0.000 1.171 149 S HN 0.214 nan 8.310 nan 0.000 0.669 150 A N 1.580 124.404 122.820 0.007 0.000 1.353 150 A HA -0.279 4.052 4.320 0.019 0.000 0.335 150 A C 0.837 178.425 177.584 0.007 0.000 4.268 150 A CA 2.235 54.276 52.037 0.006 0.000 1.094 150 A CB -2.330 16.674 19.000 0.007 0.000 1.462 150 A HN 1.173 nan 8.150 nan 0.000 0.720 151 V N 2.095 122.016 119.914 0.012 0.000 2.529 151 V HA 0.456 4.587 4.120 0.019 0.000 0.292 151 V C 0.801 176.901 176.094 0.009 0.000 1.028 151 V CA 0.782 63.090 62.300 0.013 0.000 1.074 151 V CB 0.528 32.364 31.823 0.021 0.000 0.958 151 V HN 1.161 nan 8.190 nan 0.000 0.481 152 T N 2.060 116.616 114.554 0.003 0.000 2.907 152 T HA 0.610 4.971 4.350 0.019 0.000 0.292 152 T C -0.514 174.178 174.700 -0.013 0.000 1.043 152 T CA -0.745 61.351 62.100 -0.007 0.000 1.003 152 T CB 1.745 70.604 68.868 -0.015 0.000 1.084 152 T HN 0.436 nan 8.240 nan 0.000 0.483 153 V N 1.872 121.772 119.914 -0.024 0.000 2.811 153 V HA 0.526 4.657 4.120 0.019 0.000 0.302 153 V C 0.362 176.426 176.094 -0.050 0.000 1.063 153 V CA 0.015 62.294 62.300 -0.035 0.000 1.088 153 V CB 1.403 33.199 31.823 -0.045 0.000 0.982 153 V HN 1.147 nan 8.190 nan 0.000 0.485 154 S N 4.772 120.442 115.700 -0.049 0.000 2.433 154 S HA 0.743 5.224 4.470 0.019 0.000 0.310 154 S C 0.097 174.640 174.600 -0.095 0.000 1.097 154 S CA 0.498 58.657 58.200 -0.068 0.000 1.103 154 S CB 0.187 63.360 63.200 -0.046 0.000 0.992 154 S HN 2.258 nan 8.310 nan 0.000 0.469 155 G N 4.146 112.847 108.800 -0.166 0.000 2.545 155 G HA2 -0.150 3.821 3.960 0.019 0.000 0.216 155 G HA3 -0.150 3.821 3.960 0.019 0.000 0.216 155 G C -0.951 173.751 174.900 -0.331 0.000 1.314 155 G CA -0.505 44.438 45.100 -0.261 0.000 0.906 155 G HN 0.932 nan 8.290 nan 0.000 0.563 156 H N -1.208 117.754 119.070 -0.180 0.000 2.562 156 H HA 0.509 5.065 4.556 -0.000 0.000 0.352 156 H C 0.460 175.750 175.328 -0.063 0.000 1.125 156 H CA 0.088 55.997 56.048 -0.232 0.000 1.379 156 H CB 1.455 30.911 29.762 -0.510 0.000 1.464 156 H HN 0.439 nan 8.280 nan 0.000 0.563 157 V N 3.591 123.546 119.914 0.068 0.000 2.394 157 V HA 0.004 4.136 4.120 0.019 0.000 0.282 157 V C -0.415 175.765 176.094 0.144 0.000 1.031 157 V CA -0.782 61.565 62.300 0.078 0.000 0.881 157 V CB 0.295 32.120 31.823 0.003 0.000 0.982 157 V HN 0.659 nan 8.190 nan 0.000 0.451 158 Y N 6.018 126.369 120.300 0.086 0.000 2.717 158 Y HA 0.062 4.626 4.550 0.024 0.000 0.330 158 Y C 1.237 177.148 175.900 0.018 0.000 1.217 158 Y CA 1.069 59.227 58.100 0.097 0.000 1.506 158 Y CB 0.007 38.507 38.460 0.066 0.000 1.268 158 Y HN 0.915 nan 8.280 nan 0.000 0.561 159 N N 3.077 121.295 118.700 -0.804 0.000 2.782 159 N HA -0.323 4.428 4.740 0.019 0.000 0.251 159 N C -0.001 175.329 175.510 -0.301 0.000 1.101 159 N CA 1.298 53.912 53.050 -0.727 0.000 0.764 159 N CB -1.768 36.211 38.487 -0.847 0.000 1.122 159 N HN 0.856 nan 8.380 nan 0.000 0.561 160 N N -0.315 118.297 118.700 -0.148 0.000 2.710 160 N HA -0.298 4.453 4.740 0.019 0.000 0.249 160 N C -0.461 175.009 175.510 -0.068 0.000 1.059 160 N CA 1.489 54.496 53.050 -0.070 0.000 0.720 160 N CB -0.702 37.751 38.487 -0.057 0.000 0.983 160 N HN 0.767 nan 8.380 nan 0.000 0.544 161 Q N 0.079 119.839 119.800 -0.067 0.000 2.337 161 Q HA 0.178 4.529 4.340 0.019 0.000 0.270 161 Q C -0.559 175.429 176.000 -0.020 0.000 1.002 161 Q CA -0.052 55.728 55.803 -0.039 0.000 0.888 161 Q CB 0.497 29.220 28.738 -0.025 0.000 1.222 161 Q HN 0.413 nan 8.270 nan 0.000 0.400 162 S N 3.854 119.558 115.700 0.007 0.000 2.537 162 S HA 0.114 4.595 4.470 0.019 0.000 0.286 162 S C 0.157 174.793 174.600 0.059 0.000 1.299 162 S CA -0.200 58.017 58.200 0.028 0.000 1.067 162 S CB 0.113 63.337 63.200 0.040 0.000 0.864 162 S HN 0.467 nan 8.310 nan 0.000 0.494 163 I N 3.776 124.378 120.570 0.054 0.000 2.474 163 I HA 0.139 4.320 4.170 0.019 0.000 0.287 163 I C 0.582 176.825 176.117 0.210 0.000 1.048 163 I CA -0.218 61.154 61.300 0.121 0.000 1.383 163 I CB 0.530 38.562 38.000 0.053 0.000 1.412 163 I HN 0.457 nan 8.210 nan 0.000 0.531 164 N N 6.784 125.731 118.700 0.412 0.000 2.511 164 N HA 0.271 5.022 4.740 0.019 0.000 0.249 164 N C 0.277 175.837 175.510 0.083 0.000 0.971 164 N CA -0.312 52.813 53.050 0.125 0.000 0.938 164 N CB 1.262 39.720 38.487 -0.047 0.000 1.131 164 N HN 0.591 nan 8.380 nan 0.000 0.505 165 L N 2.949 124.208 121.223 0.061 0.000 2.551 165 L HA 0.053 4.404 4.340 0.019 0.000 0.228 165 L C 1.354 178.234 176.870 0.018 0.000 1.153 165 L CA 0.643 55.512 54.840 0.049 0.000 0.851 165 L CB 0.083 42.164 42.059 0.036 0.000 0.959 165 L HN 0.514 nan 8.230 nan 0.000 0.451 166 L N -1.316 119.902 121.223 -0.009 0.000 2.607 166 L HA 0.120 4.471 4.340 0.019 0.000 0.228 166 L C 0.484 177.323 176.870 -0.051 0.000 1.123 166 L CA -0.068 54.758 54.840 -0.023 0.000 0.890 166 L CB -0.052 41.993 42.059 -0.023 0.000 1.103 166 L HN 0.075 nan 8.230 nan 0.000 0.468 167 D N 0.744 121.087 120.400 -0.095 0.000 2.347 167 D HA 0.025 4.676 4.640 0.019 0.000 0.235 167 D C 0.959 177.223 176.300 -0.060 0.000 1.149 167 D CA 0.053 53.955 54.000 -0.162 0.000 0.850 167 D CB 2.174 42.687 40.800 -0.480 0.000 1.061 167 D HN -0.156 nan 8.370 nan 0.000 0.487 168 V N 5.396 125.294 119.914 -0.026 0.000 2.568 168 V HA -0.211 3.921 4.120 0.019 0.000 0.253 168 V C 2.103 178.224 176.094 0.045 0.000 1.072 168 V CA 1.557 63.866 62.300 0.014 0.000 1.084 168 V CB -0.279 31.550 31.823 0.009 0.000 0.676 168 V HN 0.620 nan 8.190 nan 0.000 0.469 169 L N -0.849 120.404 121.223 0.049 0.000 2.056 169 L HA -0.139 4.213 4.340 0.019 0.000 0.207 169 L C 2.590 179.579 176.870 0.198 0.000 1.078 169 L CA 1.669 56.574 54.840 0.108 0.000 0.749 169 L CB -0.893 41.236 42.059 0.115 0.000 0.901 169 L HN 0.378 nan 8.230 nan 0.000 0.433 170 H N -0.189 118.894 119.070 0.022 0.000 2.321 170 H HA -0.113 4.455 4.556 0.020 0.000 0.300 170 H C 2.248 177.589 175.328 0.020 0.000 1.087 170 H CA 1.216 57.278 56.048 0.023 0.000 1.319 170 H CB -0.150 29.625 29.762 0.021 0.000 1.379 170 H HN 0.090 nan 8.280 nan 0.000 0.501 171 I N 0.647 121.310 120.570 0.155 0.000 2.208 171 I HA -0.245 3.936 4.170 0.019 0.000 0.245 171 I C 2.260 178.416 176.117 0.064 0.000 1.097 171 I CA 1.285 62.636 61.300 0.085 0.000 1.363 171 I CB -0.788 37.247 38.000 0.058 0.000 1.051 171 I HN 0.229 nan 8.210 nan 0.000 0.413 172 R N 0.237 120.777 120.500 0.066 0.000 2.075 172 R HA -0.064 4.287 4.340 0.019 0.000 0.232 172 R C 2.393 178.721 176.300 0.047 0.000 1.126 172 R CA 0.914 57.045 56.100 0.051 0.000 0.963 172 R CB -0.291 30.039 30.300 0.049 0.000 0.858 172 R HN 0.295 nan 8.270 nan 0.000 0.435 173 L N 0.593 121.847 121.223 0.052 0.000 2.083 173 L HA -0.184 4.167 4.340 0.019 0.000 0.209 173 L C 2.271 179.154 176.870 0.023 0.000 1.083 173 L CA 1.154 56.015 54.840 0.035 0.000 0.752 173 L CB -0.405 41.670 42.059 0.027 0.000 0.899 173 L HN 0.213 nan 8.230 nan 0.000 0.433 174 L N -1.123 120.114 121.223 0.023 0.000 2.056 174 L HA -0.176 4.175 4.340 0.019 0.000 0.207 174 L C 2.538 179.418 176.870 0.017 0.000 1.078 174 L CA 0.835 55.683 54.840 0.014 0.000 0.749 174 L CB -0.626 41.442 42.059 0.016 0.000 0.901 174 L HN 0.092 nan 8.230 nan 0.000 0.433 175 V N 0.449 120.379 119.914 0.026 0.000 2.407 175 V HA -0.195 3.936 4.120 0.019 0.000 0.248 175 V C 2.686 178.797 176.094 0.028 0.000 1.055 175 V CA 1.907 64.224 62.300 0.028 0.000 1.049 175 V CB -1.266 30.577 31.823 0.033 0.000 0.662 175 V HN 0.567 nan 8.190 nan 0.000 0.455 176 G N 0.401 109.218 108.800 0.027 0.000 2.446 176 G HA2 -0.333 3.639 3.960 0.019 0.000 0.217 176 G HA3 -0.333 3.639 3.960 0.019 0.000 0.217 176 G C 1.899 176.805 174.900 0.010 0.000 1.168 176 G CA 1.538 46.652 45.100 0.023 0.000 0.771 176 G HN 0.651 nan 8.290 nan 0.000 0.551 177 S N 0.197 115.901 115.700 0.008 0.000 2.382 177 S HA -0.165 4.316 4.470 0.019 0.000 0.228 177 S C 2.229 176.823 174.600 -0.010 0.000 1.027 177 S CA 1.750 59.948 58.200 -0.003 0.000 0.991 177 S CB -0.404 62.792 63.200 -0.006 0.000 0.823 177 S HN 0.569 nan 8.310 nan 0.000 0.469 178 Q N 0.724 120.524 119.800 0.000 0.000 2.050 178 Q HA 0.046 4.397 4.340 0.019 0.000 0.202 178 Q C 2.291 178.299 176.000 0.014 0.000 0.980 178 Q CA 1.788 57.596 55.803 0.007 0.000 0.840 178 Q CB -0.456 28.293 28.738 0.018 0.000 0.898 178 Q HN 0.624 nan 8.270 nan 0.000 0.424 179 I N 0.767 121.349 120.570 0.019 0.000 2.179 179 I HA -0.294 3.887 4.170 0.019 0.000 0.242 179 I C 2.461 178.528 176.117 -0.084 0.000 1.088 179 I CA 1.018 62.327 61.300 0.016 0.000 1.357 179 I CB -0.472 37.550 38.000 0.036 0.000 1.051 179 I HN 0.169 nan 8.210 nan 0.000 0.409 180 A N 0.776 123.548 122.820 -0.080 0.000 1.908 180 A HA -0.224 4.107 4.320 0.019 0.000 0.218 180 A C 2.528 180.049 177.584 -0.106 0.000 1.181 180 A CA 2.113 54.081 52.037 -0.114 0.000 0.627 180 A CB -0.897 18.065 19.000 -0.063 0.000 0.818 180 A HN 0.457 nan 8.150 nan 0.000 0.445 181 A N -0.370 122.415 122.820 -0.058 0.000 1.930 181 A HA -0.131 4.200 4.320 0.019 0.000 0.217 181 A C 1.888 179.460 177.584 -0.021 0.000 1.175 181 A CA 1.549 53.562 52.037 -0.040 0.000 0.627 181 A CB -0.490 18.494 19.000 -0.028 0.000 0.815 181 A HN 0.644 nan 8.150 nan 0.000 0.443 182 E N -0.531 119.670 120.200 0.002 0.000 2.077 182 E HA -0.203 4.158 4.350 0.019 0.000 0.193 182 E C 2.063 178.685 176.600 0.036 0.000 0.989 182 E CA 1.555 58.008 56.400 0.088 0.000 0.800 182 E CB -0.299 29.535 29.700 0.223 0.000 0.746 182 E HN 0.664 nan 8.360 nan 0.000 0.452 183 M N 0.170 119.599 119.600 -0.285 0.000 2.086 183 M HA -0.162 4.329 4.480 0.019 0.000 0.261 183 M C 2.336 178.544 176.300 -0.153 0.000 1.067 183 M CA 1.508 56.514 55.300 -0.490 0.000 1.116 183 M CB -0.194 32.008 32.600 -0.665 0.000 1.348 183 M HN -0.011 nan 8.290 nan 0.000 0.407 184 R N -0.117 120.321 120.500 -0.102 0.000 2.081 184 R HA -0.127 4.224 4.340 0.019 0.000 0.235 184 R C 2.165 178.497 176.300 0.053 0.000 1.131 184 R CA 1.059 57.142 56.100 -0.028 0.000 0.960 184 R CB -0.396 29.880 30.300 -0.039 0.000 0.856 184 R HN 0.410 nan 8.270 nan 0.000 0.436 185 E N 0.535 120.771 120.200 0.061 0.000 2.077 185 E HA -0.163 4.198 4.350 0.019 0.000 0.193 185 E C 1.931 178.622 176.600 0.151 0.000 0.989 185 E CA 1.413 57.883 56.400 0.117 0.000 0.800 185 E CB -0.046 29.710 29.700 0.094 0.000 0.746 185 E HN 0.322 nan 8.360 nan 0.000 0.452 186 A N 0.635 123.543 122.820 0.147 0.000 1.897 186 A HA -0.118 4.213 4.320 0.019 0.000 0.215 186 A C 2.258 179.914 177.584 0.121 0.000 1.181 186 A CA 1.235 53.369 52.037 0.160 0.000 0.620 186 A CB -0.434 18.735 19.000 0.282 0.000 0.821 186 A HN 0.172 nan 8.150 nan 0.000 0.443 187 M N -2.230 117.435 119.600 0.108 0.000 2.108 187 M HA -0.161 4.330 4.480 0.019 0.000 0.261 187 M C 2.232 178.594 176.300 0.104 0.000 1.066 187 M CA 1.921 57.274 55.300 0.089 0.000 1.107 187 M CB -0.420 32.218 32.600 0.064 0.000 1.356 187 M HN 0.620 nan 8.290 nan 0.000 0.406 188 Y N 0.852 121.171 120.300 0.031 0.000 2.133 188 Y HA -0.262 4.302 4.550 0.024 0.000 0.287 188 Y C 2.209 178.130 175.900 0.035 0.000 1.134 188 Y CA 2.194 60.312 58.100 0.031 0.000 1.133 188 Y CB -0.611 37.860 38.460 0.019 0.000 0.987 188 Y HN 0.292 nan 8.280 nan 0.000 0.502 189 N N -0.391 118.296 118.700 -0.021 0.000 2.104 189 N HA -0.208 4.543 4.740 0.019 0.000 0.190 189 N C 1.644 177.092 175.510 -0.102 0.000 1.024 189 N CA 2.162 55.167 53.050 -0.074 0.000 0.853 189 N CB -0.142 38.367 38.487 0.037 0.000 1.008 189 N HN 0.541 nan 8.380 nan 0.000 0.424 190 Q N -1.284 118.489 119.800 -0.045 0.000 2.373 190 Q HA 0.212 4.563 4.340 0.019 0.000 0.210 190 Q C 1.222 177.203 176.000 -0.032 0.000 0.913 190 Q CA 0.502 56.291 55.803 -0.024 0.000 0.911 190 Q CB 0.684 29.434 28.738 0.022 0.000 1.040 190 Q HN 0.401 nan 8.270 nan 0.000 0.521 191 L N -1.897 119.304 121.223 -0.036 0.000 2.781 191 L HA 0.367 4.718 4.340 0.019 0.000 0.245 191 L C 0.984 177.826 176.870 -0.046 0.000 1.118 191 L CA 0.334 55.166 54.840 -0.012 0.000 0.918 191 L CB 0.839 42.924 42.059 0.044 0.000 1.246 191 L HN 0.288 nan 8.230 nan 0.000 0.526 192 G N 1.279 109.978 108.800 -0.168 0.000 2.143 192 G HA2 -0.257 3.714 3.960 0.019 0.000 0.249 192 G HA3 -0.257 3.714 3.960 0.019 0.000 0.249 192 G C -0.006 174.903 174.900 0.015 0.000 0.981 192 G CA 0.002 44.953 45.100 -0.248 0.000 0.665 192 G HN 0.190 nan 8.290 nan 0.000 0.528 193 L N 1.347 122.642 121.223 0.121 0.000 2.317 193 L HA 0.711 5.062 4.340 0.019 0.000 0.281 193 L C 0.952 177.992 176.870 0.283 0.000 1.024 193 L CA -0.384 54.586 54.840 0.218 0.000 0.810 193 L CB 1.964 44.136 42.059 0.190 0.000 1.240 193 L HN 0.322 nan 8.230 nan 0.000 0.427 194 T N -0.767 113.919 114.554 0.221 0.000 2.945 194 T HA 0.902 5.263 4.350 0.019 0.000 0.286 194 T C -0.061 174.679 174.700 0.067 0.000 1.025 194 T CA -0.585 61.582 62.100 0.112 0.000 1.039 194 T CB 2.151 71.036 68.868 0.028 0.000 1.068 194 T HN 0.823 nan 8.240 nan 0.000 0.497 195 G N -0.672 108.136 108.800 0.012 0.000 2.559 195 G HA2 0.511 4.482 3.960 0.019 0.000 0.291 195 G HA3 0.511 4.482 3.960 0.019 0.000 0.291 195 G C -1.206 173.673 174.900 -0.035 0.000 1.424 195 G CA -0.776 44.317 45.100 -0.012 0.000 0.786 195 G HN 1.013 nan 8.290 nan 0.000 0.485 196 C N -0.127 119.148 119.300 -0.042 0.000 2.351 196 C HA 0.947 5.419 4.460 0.019 0.000 0.359 196 C C 0.840 175.793 174.990 -0.061 0.000 1.193 196 C CA 0.244 59.247 59.018 -0.025 0.000 2.270 196 C CB 0.654 28.402 27.740 0.014 0.000 2.369 196 C HN 1.149 nan 8.230 nan 0.000 0.553 197 A N 0.916 123.722 122.820 -0.023 0.000 2.435 197 A HA 0.901 5.232 4.320 0.019 0.000 0.304 197 A C -0.440 177.166 177.584 0.035 0.000 1.064 197 A CA -0.237 51.779 52.037 -0.036 0.000 0.727 197 A CB 1.294 20.258 19.000 -0.060 0.000 1.284 197 A HN 1.253 nan 8.150 nan 0.000 0.415 198 G N -0.139 108.696 108.800 0.059 0.000 2.566 198 G HA2 0.577 4.548 3.960 0.019 0.000 0.311 198 G HA3 0.577 4.548 3.960 0.019 0.000 0.311 198 G C -1.446 173.501 174.900 0.078 0.000 1.322 198 G CA -0.429 44.724 45.100 0.088 0.000 0.969 198 G HN 0.913 nan 8.290 nan 0.000 0.490 199 V N 1.085 121.037 119.914 0.064 0.000 2.448 199 V HA 0.879 5.011 4.120 0.019 0.000 0.295 199 V C 0.344 176.467 176.094 0.049 0.000 1.025 199 V CA 0.070 62.403 62.300 0.055 0.000 0.859 199 V CB 0.784 32.630 31.823 0.037 0.000 0.988 199 V HN 1.308 nan 8.190 nan 0.000 0.431 200 A N 3.322 126.173 122.820 0.051 0.000 2.524 200 A HA 0.699 5.030 4.320 0.019 0.000 0.303 200 A C 0.658 178.264 177.584 0.037 0.000 1.195 200 A CA 0.276 52.334 52.037 0.035 0.000 0.651 200 A CB 0.920 19.931 19.000 0.017 0.000 1.323 200 A HN 1.017 nan 8.150 nan 0.000 0.479 201 S N -0.333 115.383 115.700 0.026 0.000 2.527 201 S HA 0.190 4.671 4.470 0.019 0.000 0.222 201 S C 0.390 174.997 174.600 0.013 0.000 0.985 201 S CA 0.993 59.207 58.200 0.024 0.000 0.921 201 S CB -0.763 62.452 63.200 0.025 0.000 0.772 201 S HN 1.498 nan 8.310 nan 0.000 0.529 202 N N -0.259 118.445 118.700 0.007 0.000 3.020 202 N HA 0.350 5.101 4.740 0.019 0.000 0.248 202 N C -0.262 175.236 175.510 -0.020 0.000 1.480 202 N CA -1.040 52.000 53.050 -0.018 0.000 0.874 202 N CB 0.655 39.123 38.487 -0.031 0.000 1.433 202 N HN -0.153 nan 8.380 nan 0.000 0.530 203 K N -0.449 119.891 120.400 -0.101 0.000 2.062 203 K HA 0.096 4.427 4.320 0.019 0.000 0.205 203 K C 1.504 178.083 176.600 -0.035 0.000 1.051 203 K CA 0.703 56.892 56.287 -0.163 0.000 0.941 203 K CB -0.308 31.802 32.500 -0.651 0.000 0.719 203 K HN 0.453 nan 8.250 nan 0.000 0.440 204 L N 1.511 122.684 121.223 -0.083 0.000 1.990 204 L HA -0.251 4.100 4.340 0.019 0.000 0.213 204 L C 2.026 178.872 176.870 -0.040 0.000 1.072 204 L CA 1.839 56.647 54.840 -0.053 0.000 0.755 204 L CB -0.389 41.635 42.059 -0.058 0.000 0.889 204 L HN 0.279 nan 8.230 nan 0.000 0.432 205 L N -0.442 120.760 121.223 -0.035 0.000 2.093 205 L HA -0.137 4.215 4.340 0.019 0.000 0.208 205 L C 2.856 179.710 176.870 -0.026 0.000 1.085 205 L CA 0.955 55.767 54.840 -0.047 0.000 0.755 205 L CB -0.752 41.282 42.059 -0.042 0.000 0.904 205 L HN 0.321 nan 8.230 nan 0.000 0.435 206 A N 0.342 123.184 122.820 0.036 0.000 1.898 206 A HA -0.238 4.093 4.320 0.019 0.000 0.216 206 A C 2.403 180.014 177.584 0.045 0.000 1.181 206 A CA 1.883 53.972 52.037 0.087 0.000 0.620 206 A CB -0.358 18.759 19.000 0.195 0.000 0.819 206 A HN 0.322 nan 8.150 nan 0.000 0.442 207 K N -0.269 120.095 120.400 -0.061 0.000 2.057 207 K HA 0.004 4.335 4.320 0.019 0.000 0.206 207 K C 1.839 178.335 176.600 -0.174 0.000 1.050 207 K CA 1.110 57.144 56.287 -0.422 0.000 0.935 207 K CB -0.295 31.942 32.500 -0.438 0.000 0.715 207 K HN 0.455 nan 8.250 nan 0.000 0.439 208 L N 0.310 121.468 121.223 -0.107 0.000 2.046 208 L HA -0.146 4.205 4.340 0.019 0.000 0.208 208 L C 2.374 179.194 176.870 -0.084 0.000 1.077 208 L CA 0.786 55.569 54.840 -0.094 0.000 0.747 208 L CB -0.326 41.665 42.059 -0.113 0.000 0.896 208 L HN 0.096 nan 8.230 nan 0.000 0.432 209 V N -0.488 119.379 119.914 -0.079 0.000 2.871 209 V HA -0.157 3.975 4.120 0.019 0.000 0.256 209 V C 2.564 178.687 176.094 0.049 0.000 1.082 209 V CA 1.524 63.787 62.300 -0.062 0.000 1.105 209 V CB 0.119 31.893 31.823 -0.080 0.000 0.713 209 V HN 0.635 nan 8.190 nan 0.000 0.473 210 S N 0.030 115.775 115.700 0.075 0.000 2.423 210 S HA -0.029 4.452 4.470 0.019 0.000 0.231 210 S C 1.805 176.467 174.600 0.103 0.000 1.014 210 S CA 1.161 59.435 58.200 0.123 0.000 0.965 210 S CB -0.466 62.871 63.200 0.229 0.000 0.785 210 S HN 0.600 nan 8.310 nan 0.000 0.495 211 G N 0.498 109.342 108.800 0.073 0.000 3.233 211 G HA2 0.301 4.272 3.960 0.019 0.000 0.227 211 G HA3 0.301 4.272 3.960 0.019 0.000 0.227 211 G C 1.011 175.919 174.900 0.012 0.000 1.175 211 G CA 0.198 45.328 45.100 0.051 0.000 0.781 211 G HN 0.415 nan 8.290 nan 0.000 0.542 212 V N -0.072 119.851 119.914 0.014 0.000 2.358 212 V HA 0.119 4.250 4.120 0.019 0.000 0.246 212 V C 0.585 176.450 176.094 -0.381 0.000 1.047 212 V CA 1.063 63.291 62.300 -0.119 0.000 1.035 212 V CB -0.441 31.395 31.823 0.022 0.000 0.658 212 V HN 0.262 nan 8.190 nan 0.000 0.452 213 F N 0.350 120.262 119.950 -0.064 0.000 2.449 213 F HA 0.629 5.159 4.527 0.005 0.000 0.342 213 F C 0.156 175.921 175.800 -0.059 0.000 1.127 213 F CA -0.523 57.392 58.000 -0.143 0.000 0.975 213 F CB 1.313 40.068 39.000 -0.408 0.000 1.146 213 F HN -0.154 nan 8.300 nan 0.000 0.444 214 K N 3.739 124.194 120.400 0.091 0.000 2.532 214 K HA 0.480 4.811 4.320 0.019 0.000 0.265 214 K C -2.784 173.783 176.600 -0.055 0.000 0.948 214 K CA -1.790 54.518 56.287 0.034 0.000 0.842 214 K CB 2.826 35.383 32.500 0.095 0.000 1.392 214 K HN 0.283 nan 8.250 nan 0.000 0.436 215 P HA 0.154 nan 4.420 nan 0.000 0.278 215 P C -0.423 176.766 177.300 -0.184 0.000 1.266 215 P CA -0.309 62.556 63.100 -0.391 0.000 0.807 215 P CB 0.369 31.473 31.700 -0.993 0.000 1.094 216 N N -0.632 117.993 118.700 -0.126 0.000 2.725 216 N HA -0.192 4.560 4.740 0.019 0.000 0.251 216 N C -0.948 174.538 175.510 -0.041 0.000 1.031 216 N CA 1.078 54.078 53.050 -0.085 0.000 0.720 216 N CB -1.130 37.283 38.487 -0.123 0.000 0.930 216 N HN 0.533 nan 8.380 nan 0.000 0.543 217 Q N -0.673 119.135 119.800 0.014 0.000 2.615 217 Q HA 0.546 4.897 4.340 0.019 0.000 0.298 217 Q C -0.911 175.149 176.000 0.099 0.000 1.023 217 Q CA -0.936 54.914 55.803 0.079 0.000 0.768 217 Q CB 1.765 30.616 28.738 0.188 0.000 1.500 217 Q HN 0.467 nan 8.270 nan 0.000 0.441 218 Q N -0.657 119.227 119.800 0.139 0.000 2.456 218 Q HA 0.804 5.155 4.340 0.019 0.000 0.284 218 Q C -1.404 174.712 176.000 0.194 0.000 1.061 218 Q CA -0.857 55.019 55.803 0.122 0.000 0.799 218 Q CB 2.468 31.228 28.738 0.038 0.000 1.445 218 Q HN 0.458 nan 8.270 nan 0.000 0.411 219 T N 0.761 115.424 114.554 0.181 0.000 2.912 219 T HA 0.501 4.862 4.350 0.019 0.000 0.299 219 T C -1.468 173.321 174.700 0.147 0.000 1.052 219 T CA -0.685 61.552 62.100 0.228 0.000 0.996 219 T CB 1.958 71.039 68.868 0.356 0.000 1.070 219 T HN 0.513 nan 8.240 nan 0.000 0.465 220 V N 3.437 123.429 119.914 0.130 0.000 2.581 220 V HA 0.754 4.885 4.120 0.019 0.000 0.303 220 V C -1.140 175.020 176.094 0.109 0.000 1.041 220 V CA -1.017 61.334 62.300 0.084 0.000 0.907 220 V CB 1.535 33.381 31.823 0.037 0.000 0.994 220 V HN 0.768 nan 8.190 nan 0.000 0.442 221 L N 7.457 128.721 121.223 0.069 0.000 2.262 221 L HA 0.545 4.896 4.340 0.019 0.000 0.288 221 L C -0.478 176.408 176.870 0.028 0.000 1.035 221 L CA 0.206 55.082 54.840 0.060 0.000 0.820 221 L CB 0.794 42.840 42.059 -0.022 0.000 1.204 221 L HN 0.622 nan 8.230 nan 0.000 0.424 222 L N 7.004 128.233 121.223 0.011 0.000 2.418 222 L HA 0.357 4.708 4.340 0.019 0.000 0.265 222 L C -1.300 175.599 176.870 0.050 0.000 1.143 222 L CA -1.613 53.193 54.840 -0.057 0.000 0.809 222 L CB 0.489 42.376 42.059 -0.288 0.000 1.124 222 L HN 0.459 nan 8.230 nan 0.000 0.456 223 P HA -0.145 nan 4.420 nan 0.000 0.218 223 P C 0.864 178.234 177.300 0.117 0.000 1.149 223 P CA 0.896 64.060 63.100 0.107 0.000 0.817 223 P CB 0.138 31.912 31.700 0.124 0.000 0.785 224 E N -0.742 119.543 120.200 0.142 0.000 2.418 224 E HA -0.005 4.356 4.350 0.019 0.000 0.197 224 E C 1.101 177.783 176.600 0.136 0.000 1.026 224 E CA 0.813 57.291 56.400 0.130 0.000 0.862 224 E CB -0.996 28.781 29.700 0.129 0.000 0.799 224 E HN 0.185 nan 8.360 nan 0.000 0.518 225 S N 0.407 116.198 115.700 0.150 0.000 2.577 225 S HA 0.024 4.505 4.470 0.019 0.000 0.219 225 S C 1.532 176.272 174.600 0.232 0.000 0.962 225 S CA 0.074 58.408 58.200 0.224 0.000 0.921 225 S CB -0.206 63.170 63.200 0.294 0.000 0.789 225 S HN 0.522 nan 8.310 nan 0.000 0.497 226 C N 1.605 120.985 119.300 0.134 0.000 2.440 226 C HA -0.067 4.405 4.460 0.019 0.000 0.278 226 C C 2.472 177.507 174.990 0.074 0.000 1.295 226 C CA 1.048 60.104 59.018 0.064 0.000 1.738 226 C CB -1.000 26.766 27.740 0.043 0.000 1.987 226 C HN 0.505 nan 8.230 nan 0.000 0.492 227 Q N -0.505 119.374 119.800 0.132 0.000 2.084 227 Q HA -0.192 4.159 4.340 0.019 0.000 0.202 227 Q C 2.002 178.121 176.000 0.197 0.000 0.978 227 Q CA 2.342 58.234 55.803 0.147 0.000 0.844 227 Q CB -0.455 28.419 28.738 0.225 0.000 0.898 227 Q HN 0.945 nan 8.270 nan 0.000 0.426 228 H N -0.802 118.377 119.070 0.181 0.000 2.319 228 H HA -0.165 4.402 4.556 0.019 0.000 0.299 228 H C 1.774 177.236 175.328 0.223 0.000 1.092 228 H CA 1.560 57.746 56.048 0.230 0.000 1.302 228 H CB -0.050 29.867 29.762 0.258 0.000 1.373 228 H HN 0.259 nan 8.280 nan 0.000 0.497 229 L N 1.164 122.564 121.223 0.295 0.000 2.017 229 L HA -0.136 4.215 4.340 0.019 0.000 0.208 229 L C 2.373 179.196 176.870 -0.078 0.000 1.073 229 L CA 1.955 56.766 54.840 -0.049 0.000 0.745 229 L CB -0.769 41.012 42.059 -0.463 0.000 0.894 229 L HN 0.651 nan 8.230 nan 0.000 0.432 230 I N -3.716 116.779 120.570 -0.125 0.000 2.394 230 I HA -0.211 3.970 4.170 0.019 0.000 0.251 230 I C 1.996 177.953 176.117 -0.266 0.000 1.136 230 I CA 1.396 62.562 61.300 -0.222 0.000 1.425 230 I CB -0.923 36.902 38.000 -0.292 0.000 1.079 230 I HN 0.258 nan 8.210 nan 0.000 0.425 231 H N 1.489 120.518 119.070 -0.070 0.000 2.548 231 H HA 0.061 4.628 4.556 0.018 0.000 0.268 231 H C 2.614 177.870 175.328 -0.121 0.000 0.975 231 H CA 1.196 57.184 56.048 -0.101 0.000 1.195 231 H CB 0.052 29.750 29.762 -0.106 0.000 1.397 231 H HN 0.581 nan 8.280 nan 0.000 0.572 232 S N 0.533 116.217 115.700 -0.026 0.000 2.474 232 S HA -0.038 4.443 4.470 0.019 0.000 0.235 232 S C 1.092 175.674 174.600 -0.030 0.000 0.997 232 S CA 0.036 58.219 58.200 -0.029 0.000 0.949 232 S CB -0.595 62.643 63.200 0.063 0.000 0.766 232 S HN 0.161 nan 8.310 nan 0.000 0.517 233 L N 2.144 123.341 121.223 -0.044 0.000 2.426 233 L HA 0.262 4.613 4.340 0.019 0.000 0.271 233 L C 1.045 177.867 176.870 -0.081 0.000 1.169 233 L CA -0.442 54.367 54.840 -0.051 0.000 0.836 233 L CB 0.138 42.162 42.059 -0.058 0.000 1.112 233 L HN 0.193 nan 8.230 nan 0.000 0.465 234 N N -0.057 118.569 118.700 -0.122 0.000 2.250 234 N HA 0.087 4.838 4.740 0.019 0.000 0.190 234 N C -0.396 174.830 175.510 -0.474 0.000 1.116 234 N CA 0.235 53.111 53.050 -0.289 0.000 0.881 234 N CB 0.549 38.815 38.487 -0.369 0.000 1.006 234 N HN 0.608 nan 8.380 nan 0.000 0.491 235 H N -0.676 118.372 119.070 -0.036 0.000 2.759 235 H HA 0.241 4.808 4.556 0.018 0.000 0.354 235 H C 0.623 175.922 175.328 -0.049 0.000 1.074 235 H CA -0.637 55.387 56.048 -0.040 0.000 1.226 235 H CB 2.418 32.160 29.762 -0.033 0.000 1.648 235 H HN -0.214 nan 8.280 nan 0.000 0.529 236 I N 2.151 122.751 120.570 0.050 0.000 2.361 236 I HA -0.174 4.007 4.170 0.019 0.000 0.251 236 I C 2.105 178.218 176.117 -0.006 0.000 1.133 236 I CA 1.540 62.834 61.300 -0.010 0.000 1.413 236 I CB -0.153 37.821 38.000 -0.045 0.000 1.073 236 I HN 0.555 nan 8.210 nan 0.000 0.424 237 K N 0.350 120.761 120.400 0.018 0.000 2.442 237 K HA -0.151 4.181 4.320 0.019 0.000 0.198 237 K C 1.668 178.271 176.600 0.006 0.000 1.042 237 K CA 0.947 57.235 56.287 0.002 0.000 0.958 237 K CB 0.007 32.506 32.500 -0.003 0.000 0.766 237 K HN 0.437 nan 8.250 nan 0.000 0.474 238 E N 0.800 121.015 120.200 0.026 0.000 2.338 238 E HA -0.108 4.253 4.350 0.019 0.000 0.197 238 E C 0.687 177.277 176.600 -0.018 0.000 1.007 238 E CA 0.359 56.765 56.400 0.010 0.000 0.849 238 E CB -0.199 29.519 29.700 0.030 0.000 0.774 238 E HN 0.431 nan 8.360 nan 0.000 0.506 239 I N 0.819 121.372 120.570 -0.027 0.000 2.452 239 I HA 0.157 4.339 4.170 0.019 0.000 0.287 239 I C -2.550 173.548 176.117 -0.032 0.000 1.079 239 I CA -2.539 58.737 61.300 -0.040 0.000 1.387 239 I CB 0.716 38.684 38.000 -0.054 0.000 1.404 239 I HN -0.309 nan 8.210 nan 0.000 0.522 240 P HA 0.173 nan 4.420 nan 0.000 0.261 240 P C 0.604 177.890 177.300 -0.022 0.000 1.203 240 P CA 0.655 63.742 63.100 -0.022 0.000 0.767 240 P CB 0.673 32.361 31.700 -0.019 0.000 0.785 241 G N 3.107 111.897 108.800 -0.016 0.000 2.336 241 G HA2 -0.164 3.807 3.960 0.019 0.000 0.194 241 G HA3 -0.164 3.807 3.960 0.019 0.000 0.194 241 G C -0.039 174.851 174.900 -0.018 0.000 0.999 241 G CA -0.526 44.565 45.100 -0.017 0.000 0.669 241 G HN 0.471 nan 8.290 nan 0.000 0.482 242 I N 2.547 123.104 120.570 -0.021 0.000 2.306 242 I HA 0.571 4.753 4.170 0.019 0.000 0.288 242 I C 1.095 177.203 176.117 -0.016 0.000 1.036 242 I CA -0.113 61.171 61.300 -0.026 0.000 1.221 242 I CB 1.164 39.142 38.000 -0.037 0.000 1.385 242 I HN 0.193 nan 8.210 nan 0.000 0.472 243 G N 3.416 112.211 108.800 -0.009 0.000 2.828 243 G HA2 0.114 4.085 3.960 0.019 0.000 0.244 243 G HA3 0.114 4.085 3.960 0.019 0.000 0.244 243 G C 0.235 175.153 174.900 0.031 0.000 1.365 243 G CA -0.233 44.880 45.100 0.022 0.000 1.041 243 G HN 0.532 nan 8.290 nan 0.000 0.560 244 Y N 0.518 120.793 120.300 -0.041 0.000 2.053 244 Y HA -0.186 4.375 4.550 0.018 0.000 0.277 244 Y C 2.768 178.644 175.900 -0.041 0.000 1.159 244 Y CA 2.630 60.704 58.100 -0.044 0.000 1.125 244 Y CB 0.018 38.451 38.460 -0.044 0.000 0.969 244 Y HN 0.350 nan 8.280 nan 0.000 0.492 245 K N -1.058 119.215 120.400 -0.211 0.000 2.103 245 K HA -0.086 4.245 4.320 0.019 0.000 0.204 245 K C 1.986 178.452 176.600 -0.223 0.000 1.052 245 K CA 1.678 57.785 56.287 -0.301 0.000 0.945 245 K CB -0.441 32.003 32.500 -0.093 0.000 0.722 245 K HN 0.335 nan 8.250 nan 0.000 0.443 246 T N 1.427 115.900 114.554 -0.135 0.000 2.821 246 T HA -0.078 4.283 4.350 0.019 0.000 0.267 246 T C 2.058 176.677 174.700 -0.135 0.000 1.046 246 T CA 1.251 63.285 62.100 -0.111 0.000 1.139 246 T CB -0.142 68.685 68.868 -0.069 0.000 0.871 246 T HN 0.295 nan 8.240 nan 0.000 0.454 247 A N 1.480 124.213 122.820 -0.146 0.000 1.930 247 A HA -0.069 4.262 4.320 0.019 0.000 0.217 247 A C 2.259 179.736 177.584 -0.178 0.000 1.175 247 A CA 1.520 53.474 52.037 -0.137 0.000 0.627 247 A CB -0.386 18.554 19.000 -0.101 0.000 0.815 247 A HN 0.274 nan 8.150 nan 0.000 0.443 248 K N -0.510 119.727 120.400 -0.272 0.000 2.026 248 K HA -0.137 4.195 4.320 0.019 0.000 0.208 248 K C 2.076 178.566 176.600 -0.184 0.000 1.048 248 K CA 1.324 57.452 56.287 -0.266 0.000 0.929 248 K CB -1.080 31.176 32.500 -0.406 0.000 0.713 248 K HN 0.587 nan 8.250 nan 0.000 0.439 249 C N 0.530 119.727 119.300 -0.173 0.000 2.393 249 C HA -0.130 4.341 4.460 0.019 0.000 0.276 249 C C 2.338 177.239 174.990 -0.148 0.000 1.215 249 C CA 0.964 59.901 59.018 -0.135 0.000 1.743 249 C CB -1.077 26.594 27.740 -0.115 0.000 2.044 249 C HN 0.478 nan 8.230 nan 0.000 0.464 250 L N 0.670 121.794 121.223 -0.165 0.000 2.042 250 L HA -0.165 4.186 4.340 0.019 0.000 0.210 250 L C 2.779 179.531 176.870 -0.198 0.000 1.076 250 L CA 2.214 56.928 54.840 -0.210 0.000 0.749 250 L CB -0.916 41.031 42.059 -0.187 0.000 0.893 250 L HN 0.482 nan 8.230 nan 0.000 0.432 251 E N 0.333 120.446 120.200 -0.145 0.000 2.085 251 E HA -0.242 4.119 4.350 0.019 0.000 0.194 251 E C 2.307 178.846 176.600 -0.101 0.000 0.994 251 E CA 1.184 57.517 56.400 -0.112 0.000 0.801 251 E CB -0.267 29.380 29.700 -0.088 0.000 0.743 251 E HN 0.524 nan 8.360 nan 0.000 0.453 252 A N 1.129 123.888 122.820 -0.103 0.000 2.024 252 A HA -0.144 4.187 4.320 0.019 0.000 0.220 252 A C 2.040 179.577 177.584 -0.078 0.000 1.164 252 A CA 1.079 53.069 52.037 -0.079 0.000 0.643 252 A CB -0.430 18.525 19.000 -0.074 0.000 0.806 252 A HN 0.153 nan 8.150 nan 0.000 0.451 253 L N -1.539 119.604 121.223 -0.132 0.000 2.592 253 L HA 0.256 4.607 4.340 0.019 0.000 0.227 253 L C 1.584 178.367 176.870 -0.145 0.000 1.127 253 L CA 0.460 55.209 54.840 -0.152 0.000 0.884 253 L CB -0.026 41.841 42.059 -0.321 0.000 1.065 253 L HN 0.549 nan 8.230 nan 0.000 0.457 254 G N 0.850 109.582 108.800 -0.114 0.000 2.157 254 G HA2 -0.280 3.692 3.960 0.019 0.000 0.248 254 G HA3 -0.280 3.692 3.960 0.019 0.000 0.248 254 G C 0.210 175.049 174.900 -0.101 0.000 0.979 254 G CA -0.268 44.791 45.100 -0.067 0.000 0.650 254 G HN 0.294 nan 8.290 nan 0.000 0.529 255 I N 1.054 121.504 120.570 -0.200 0.000 2.291 255 I HA 0.302 4.483 4.170 0.019 0.000 0.292 255 I C 1.019 177.060 176.117 -0.127 0.000 1.064 255 I CA -0.243 60.935 61.300 -0.204 0.000 1.269 255 I CB 0.845 38.629 38.000 -0.361 0.000 1.418 255 I HN 0.173 nan 8.210 nan 0.000 0.485 256 N N 2.265 120.915 118.700 -0.082 0.000 2.557 256 N HA 0.020 4.771 4.740 0.019 0.000 0.217 256 N C 0.297 175.772 175.510 -0.058 0.000 1.062 256 N CA -0.058 52.956 53.050 -0.059 0.000 0.863 256 N CB 0.431 38.893 38.487 -0.043 0.000 1.390 256 N HN 0.613 nan 8.380 nan 0.000 0.445 257 S N -0.355 115.310 115.700 -0.058 0.000 2.713 257 S HA 0.339 4.820 4.470 0.019 0.000 0.283 257 S C 1.337 175.905 174.600 -0.053 0.000 1.161 257 S CA -0.843 57.324 58.200 -0.055 0.000 0.999 257 S CB 1.538 64.714 63.200 -0.040 0.000 1.039 257 S HN -0.122 nan 8.310 nan 0.000 0.548 258 V N 1.323 121.210 119.914 -0.045 0.000 2.287 258 V HA -0.175 3.956 4.120 0.019 0.000 0.248 258 V C 2.902 178.953 176.094 -0.071 0.000 1.053 258 V CA 2.385 64.635 62.300 -0.083 0.000 1.027 258 V CB -1.102 30.643 31.823 -0.130 0.000 0.646 258 V HN 0.951 nan 8.190 nan 0.000 0.447 259 R N -0.052 120.476 120.500 0.046 0.000 2.091 259 R HA -0.201 4.150 4.340 0.019 0.000 0.238 259 R C 2.070 178.361 176.300 -0.014 0.000 1.136 259 R CA 2.021 58.146 56.100 0.041 0.000 0.959 259 R CB -0.399 29.917 30.300 0.026 0.000 0.856 259 R HN 0.527 nan 8.270 nan 0.000 0.437 260 D N 0.578 120.971 120.400 -0.011 0.000 2.106 260 D HA -0.216 4.435 4.640 0.019 0.000 0.191 260 D C 1.788 178.103 176.300 0.025 0.000 0.997 260 D CA 1.193 55.200 54.000 0.012 0.000 0.834 260 D CB -0.293 40.495 40.800 -0.021 0.000 0.956 260 D HN 0.181 nan 8.370 nan 0.000 0.448 261 L N 0.917 122.113 121.223 -0.045 0.000 2.056 261 L HA -0.161 4.190 4.340 0.019 0.000 0.207 261 L C 2.168 179.009 176.870 -0.048 0.000 1.078 261 L CA 1.663 56.473 54.840 -0.049 0.000 0.749 261 L CB -0.643 41.356 42.059 -0.100 0.000 0.901 261 L HN 0.021 nan 8.230 nan 0.000 0.433 262 Q N -0.983 118.692 119.800 -0.209 0.000 2.112 262 Q HA -0.202 4.149 4.340 0.019 0.000 0.206 262 Q C 1.690 177.675 176.000 -0.025 0.000 0.987 262 Q CA 2.328 57.864 55.803 -0.445 0.000 0.858 262 Q CB -0.384 27.893 28.738 -0.769 0.000 0.905 262 Q HN 0.734 nan 8.270 nan 0.000 0.420 263 T N -2.565 112.013 114.554 0.041 0.000 3.107 263 T HA 0.105 4.466 4.350 0.019 0.000 0.249 263 T C 0.190 174.970 174.700 0.133 0.000 1.096 263 T CA -0.416 61.749 62.100 0.109 0.000 1.012 263 T CB -0.132 68.782 68.868 0.077 0.000 0.977 263 T HN 0.027 nan 8.240 nan 0.000 0.527 264 F N 3.295 123.251 119.950 0.010 0.000 2.418 264 F HA 0.466 5.004 4.527 0.019 0.000 0.341 264 F C 0.860 176.675 175.800 0.024 0.000 1.120 264 F CA -1.034 56.971 58.000 0.009 0.000 1.232 264 F CB 1.044 40.041 39.000 -0.006 0.000 1.175 264 F HN 0.108 nan 8.300 nan 0.000 0.569 265 S N 6.514 121.842 115.700 -0.619 0.000 2.546 265 S HA 0.108 4.589 4.470 0.019 0.000 0.290 265 S C -1.743 172.796 174.600 -0.102 0.000 1.262 265 S CA -0.971 57.020 58.200 -0.349 0.000 1.083 265 S CB 0.581 63.510 63.200 -0.452 0.000 0.859 265 S HN 0.496 nan 8.310 nan 0.000 0.495 266 P HA -0.040 nan 4.420 nan 0.000 0.218 266 P C 0.758 178.082 177.300 0.040 0.000 1.149 266 P CA 1.100 64.234 63.100 0.058 0.000 0.817 266 P CB 0.106 31.833 31.700 0.044 0.000 0.785 267 K N -0.672 119.726 120.400 -0.003 0.000 2.062 267 K HA -0.002 4.329 4.320 0.019 0.000 0.205 267 K C 2.010 178.618 176.600 0.013 0.000 1.051 267 K CA 1.084 57.370 56.287 -0.002 0.000 0.941 267 K CB -1.041 31.446 32.500 -0.022 0.000 0.719 267 K HN 0.140 nan 8.250 nan 0.000 0.440 268 I N 0.313 120.880 120.570 -0.004 0.000 2.202 268 I HA -0.223 3.958 4.170 0.019 0.000 0.242 268 I C 2.072 178.294 176.117 0.175 0.000 1.091 268 I CA 0.678 62.014 61.300 0.060 0.000 1.368 268 I CB -0.208 37.786 38.000 -0.010 0.000 1.058 268 I HN 0.028 nan 8.210 nan 0.000 0.410 269 L N 0.993 122.370 121.223 0.257 0.000 2.012 269 L HA -0.258 4.093 4.340 0.019 0.000 0.210 269 L C 2.441 179.376 176.870 0.108 0.000 1.073 269 L CA 1.972 56.951 54.840 0.231 0.000 0.748 269 L CB -0.542 41.675 42.059 0.263 0.000 0.891 269 L HN 0.205 nan 8.230 nan 0.000 0.431 270 E N -0.873 119.376 120.200 0.081 0.000 2.085 270 E HA -0.269 4.093 4.350 0.019 0.000 0.194 270 E C 2.183 178.806 176.600 0.039 0.000 0.994 270 E CA 1.446 57.875 56.400 0.048 0.000 0.801 270 E CB -0.141 29.580 29.700 0.036 0.000 0.743 270 E HN 0.443 nan 8.360 nan 0.000 0.453 271 K N 0.424 120.850 120.400 0.044 0.000 2.097 271 K HA -0.198 4.133 4.320 0.019 0.000 0.206 271 K C 2.093 178.713 176.600 0.033 0.000 1.049 271 K CA 1.234 57.542 56.287 0.034 0.000 0.933 271 K CB -0.018 32.502 32.500 0.034 0.000 0.717 271 K HN -0.002 nan 8.250 nan 0.000 0.442 272 E N 0.431 120.659 120.200 0.046 0.000 2.086 272 E HA 0.023 4.384 4.350 0.019 0.000 0.190 272 E C 1.412 178.018 176.600 0.011 0.000 0.975 272 E CA 0.665 57.083 56.400 0.030 0.000 0.813 272 E CB 0.320 30.044 29.700 0.040 0.000 0.768 272 E HN 0.124 nan 8.360 nan 0.000 0.457 273 L N -0.852 120.380 121.223 0.014 0.000 2.693 273 L HA 0.381 4.732 4.340 0.019 0.000 0.235 273 L C 0.527 177.400 176.870 0.005 0.000 1.127 273 L CA -0.046 54.795 54.840 0.001 0.000 0.914 273 L CB 0.607 42.663 42.059 -0.005 0.000 1.193 273 L HN 0.212 nan 8.230 nan 0.000 0.502 274 G N 0.569 109.376 108.800 0.012 0.000 2.731 274 G HA2 -0.238 3.733 3.960 0.019 0.000 0.686 274 G HA3 -0.238 3.733 3.960 0.019 0.000 0.686 274 G C 0.561 175.470 174.900 0.014 0.000 1.395 274 G CA -0.201 44.906 45.100 0.011 0.000 0.870 274 G HN -0.000 nan 8.290 nan 0.000 0.591 275 I N 1.085 121.664 120.570 0.014 0.000 2.194 275 I HA -0.179 4.002 4.170 0.019 0.000 0.246 275 I C 2.520 178.645 176.117 0.013 0.000 1.093 275 I CA 3.101 64.410 61.300 0.015 0.000 1.355 275 I CB -0.681 37.326 38.000 0.011 0.000 1.046 275 I HN 0.788 nan 8.210 nan 0.000 0.413 276 S N -0.156 115.549 115.700 0.009 0.000 2.345 276 S HA -0.113 4.368 4.470 0.019 0.000 0.220 276 S C 2.014 176.618 174.600 0.006 0.000 1.031 276 S CA 1.752 59.956 58.200 0.006 0.000 0.996 276 S CB -0.307 62.895 63.200 0.003 0.000 0.882 276 S HN 0.360 nan 8.310 nan 0.000 0.445 277 V N 2.201 122.118 119.914 0.005 0.000 2.323 277 V HA -0.024 4.107 4.120 0.019 0.000 0.244 277 V C 2.900 178.999 176.094 0.008 0.000 1.041 277 V CA 1.571 63.872 62.300 0.001 0.000 1.025 277 V CB -1.395 30.425 31.823 -0.005 0.000 0.656 277 V HN 0.601 nan 8.190 nan 0.000 0.451 278 A N -0.831 121.999 122.820 0.016 0.000 1.873 278 A HA -0.333 3.998 4.320 0.019 0.000 0.218 278 A C 2.207 179.816 177.584 0.041 0.000 1.193 278 A CA 2.294 54.351 52.037 0.033 0.000 0.629 278 A CB -0.608 18.420 19.000 0.047 0.000 0.826 278 A HN 0.588 nan 8.150 nan 0.000 0.447 279 Q N -1.342 118.479 119.800 0.035 0.000 2.084 279 Q HA -0.199 4.152 4.340 0.019 0.000 0.202 279 Q C 2.452 178.473 176.000 0.035 0.000 0.978 279 Q CA 1.662 57.487 55.803 0.036 0.000 0.844 279 Q CB -0.172 28.579 28.738 0.023 0.000 0.898 279 Q HN 0.712 nan 8.270 nan 0.000 0.426 280 R N 0.982 121.494 120.500 0.020 0.000 2.070 280 R HA -0.158 4.194 4.340 0.019 0.000 0.232 280 R C 2.448 178.758 176.300 0.018 0.000 1.138 280 R CA 1.771 57.878 56.100 0.013 0.000 0.936 280 R CB -0.451 29.850 30.300 0.000 0.000 0.839 280 R HN 0.406 nan 8.270 nan 0.000 0.429 281 I N -1.308 119.270 120.570 0.013 0.000 2.394 281 I HA -0.175 4.006 4.170 0.019 0.000 0.251 281 I C 2.260 178.389 176.117 0.020 0.000 1.136 281 I CA 1.432 62.734 61.300 0.004 0.000 1.425 281 I CB -0.429 37.562 38.000 -0.015 0.000 1.079 281 I HN 0.320 nan 8.210 nan 0.000 0.425 282 Q N 1.507 121.341 119.800 0.056 0.000 2.119 282 Q HA -0.167 4.184 4.340 0.019 0.000 0.201 282 Q C 2.211 178.332 176.000 0.202 0.000 0.972 282 Q CA 1.459 57.327 55.803 0.108 0.000 0.847 282 Q CB 0.086 28.914 28.738 0.151 0.000 0.903 282 Q HN 0.531 nan 8.270 nan 0.000 0.433 283 K N 0.010 120.506 120.400 0.159 0.000 2.026 283 K HA -0.141 4.190 4.320 0.019 0.000 0.208 283 K C 2.044 178.727 176.600 0.139 0.000 1.048 283 K CA 1.263 57.651 56.287 0.168 0.000 0.929 283 K CB -0.104 32.439 32.500 0.072 0.000 0.713 283 K HN 0.230 nan 8.250 nan 0.000 0.439 284 L N 0.951 122.209 121.223 0.058 0.000 2.042 284 L HA -0.227 4.124 4.340 0.019 0.000 0.210 284 L C 2.627 179.484 176.870 -0.021 0.000 1.076 284 L CA 1.492 56.337 54.840 0.009 0.000 0.749 284 L CB -0.738 41.311 42.059 -0.017 0.000 0.893 284 L HN 0.307 nan 8.230 nan 0.000 0.432 285 S N -0.144 115.526 115.700 -0.050 0.000 2.420 285 S HA -0.206 4.276 4.470 0.019 0.000 0.237 285 S C 1.623 176.051 174.600 -0.286 0.000 1.023 285 S CA 1.246 59.335 58.200 -0.185 0.000 0.991 285 S CB -0.709 62.344 63.200 -0.245 0.000 0.792 285 S HN 0.401 nan 8.310 nan 0.000 0.488 286 F N 1.775 121.692 119.950 -0.055 0.000 2.765 286 F HA 0.392 4.930 4.527 0.018 0.000 0.302 286 F C 1.946 177.707 175.800 -0.064 0.000 1.111 286 F CA 0.211 58.179 58.000 -0.054 0.000 1.359 286 F CB 0.089 39.077 39.000 -0.020 0.000 1.097 286 F HN 0.426 nan 8.300 nan 0.000 0.577 287 G N 0.750 109.586 108.800 0.059 0.000 2.143 287 G HA2 -0.284 3.688 3.960 0.019 0.000 0.249 287 G HA3 -0.284 3.688 3.960 0.019 0.000 0.249 287 G C -0.051 174.867 174.900 0.029 0.000 0.981 287 G CA -0.293 44.814 45.100 0.013 0.000 0.665 287 G HN 0.402 nan 8.290 nan 0.000 0.528 288 E N 0.474 120.711 120.200 0.061 0.000 2.174 288 E HA 0.533 4.894 4.350 0.019 0.000 0.282 288 E C -0.853 175.753 176.600 0.010 0.000 0.992 288 E CA -0.489 55.932 56.400 0.035 0.000 0.803 288 E CB 1.405 31.131 29.700 0.043 0.000 1.090 288 E HN 0.199 nan 8.360 nan 0.000 0.396 289 D N 2.615 123.008 120.400 -0.012 0.000 2.354 289 D HA 0.117 4.768 4.640 0.019 0.000 0.230 289 D C -0.972 175.303 176.300 -0.042 0.000 1.361 289 D CA -0.403 53.577 54.000 -0.033 0.000 0.992 289 D CB 0.331 41.100 40.800 -0.052 0.000 1.409 289 D HN 0.341 nan 8.370 nan 0.000 0.573 290 N N 0.862 119.540 118.700 -0.037 0.000 2.314 290 N HA 0.065 4.816 4.740 0.019 0.000 0.200 290 N C 0.027 175.508 175.510 -0.049 0.000 1.135 290 N CA -0.249 52.779 53.050 -0.037 0.000 0.835 290 N CB 0.511 38.983 38.487 -0.026 0.000 0.989 290 N HN 0.392 nan 8.380 nan 0.000 0.478 291 S N 1.472 117.130 115.700 -0.069 0.000 2.549 291 S HA 0.216 4.697 4.470 0.019 0.000 0.283 291 S C -2.173 172.369 174.600 -0.097 0.000 1.320 291 S CA -1.295 56.855 58.200 -0.083 0.000 1.058 291 S CB 0.670 63.808 63.200 -0.103 0.000 0.882 291 S HN 0.043 nan 8.310 nan 0.000 0.498 292 P HA 0.206 nan 4.420 nan 0.000 0.274 292 P C -0.551 176.694 177.300 -0.092 0.000 1.231 292 P CA -0.639 62.422 63.100 -0.065 0.000 0.790 292 P CB 0.512 32.190 31.700 -0.037 0.000 0.951 293 V N 3.654 123.524 119.914 -0.072 0.000 2.479 293 V HA 0.046 4.177 4.120 0.019 0.000 0.281 293 V C 0.817 176.904 176.094 -0.011 0.000 1.031 293 V CA 0.117 62.386 62.300 -0.052 0.000 1.038 293 V CB -0.182 31.646 31.823 0.009 0.000 0.981 293 V HN 0.347 nan 8.190 nan 0.000 0.478 294 I N 5.519 126.088 120.570 -0.002 0.000 2.392 294 I HA 0.280 4.461 4.170 0.019 0.000 0.295 294 I C -0.006 176.135 176.117 0.040 0.000 0.985 294 I CA -0.854 60.455 61.300 0.015 0.000 1.221 294 I CB 1.551 39.556 38.000 0.009 0.000 1.366 294 I HN 0.466 nan 8.210 nan 0.000 0.467 295 L N 5.868 127.115 121.223 0.040 0.000 2.456 295 L HA 0.152 4.503 4.340 0.019 0.000 0.277 295 L C 1.235 178.138 176.870 0.056 0.000 1.124 295 L CA 0.839 55.709 54.840 0.052 0.000 0.880 295 L CB 0.723 42.810 42.059 0.046 0.000 1.192 295 L HN 0.628 nan 8.230 nan 0.000 0.463 296 S N 3.536 119.276 115.700 0.068 0.000 2.355 296 S HA 0.146 4.627 4.470 0.019 0.000 0.222 296 S C 1.153 175.801 174.600 0.081 0.000 1.031 296 S CA 0.730 58.975 58.200 0.075 0.000 0.993 296 S CB -0.812 62.437 63.200 0.082 0.000 0.859 296 S HN 1.305 nan 8.310 nan 0.000 0.453 297 G N 2.112 110.966 108.800 0.091 0.000 2.569 297 G HA2 -0.235 3.736 3.960 0.019 0.000 0.259 297 G HA3 -0.235 3.736 3.960 0.019 0.000 0.259 297 G C -2.641 172.324 174.900 0.108 0.000 1.263 297 G CA -0.252 44.900 45.100 0.087 0.000 0.928 297 G HN 0.426 nan 8.290 nan 0.000 0.572 298 P HA 0.383 nan 4.420 nan 0.000 0.274 298 P C -2.330 174.992 177.300 0.037 0.000 1.237 298 P CA -0.902 62.218 63.100 0.033 0.000 0.793 298 P CB 0.254 31.970 31.700 0.027 0.000 0.977 299 P HA 0.101 nan 4.420 nan 0.000 0.272 299 P C 0.517 177.794 177.300 -0.038 0.000 1.223 299 P CA -0.006 63.054 63.100 -0.067 0.000 0.784 299 P CB 0.694 32.209 31.700 -0.309 0.000 0.923 300 Q N -0.172 119.626 119.800 -0.003 0.000 2.398 300 Q HA 0.074 4.425 4.340 0.019 0.000 0.204 300 Q C 0.803 176.850 176.000 0.079 0.000 0.932 300 Q CA 0.794 56.625 55.803 0.046 0.000 0.916 300 Q CB -0.007 28.759 28.738 0.048 0.000 1.024 300 Q HN 0.690 nan 8.270 nan 0.000 0.504 301 S N -1.243 114.471 115.700 0.023 0.000 2.596 301 S HA 0.714 5.195 4.470 0.019 0.000 0.270 301 S C -1.123 173.462 174.600 -0.024 0.000 1.155 301 S CA -0.902 57.370 58.200 0.120 0.000 0.827 301 S CB 1.095 64.365 63.200 0.116 0.000 1.130 301 S HN 0.020 nan 8.310 nan 0.000 0.467 302 F N 1.553 121.601 119.950 0.164 0.000 2.536 302 F HA 0.712 5.250 4.527 0.019 0.000 0.322 302 F C 0.342 176.209 175.800 0.111 0.000 1.144 302 F CA -0.186 57.912 58.000 0.163 0.000 0.924 302 F CB 2.492 41.616 39.000 0.207 0.000 1.181 302 F HN 0.932 nan 8.300 nan 0.000 0.438 303 S N 2.239 118.072 115.700 0.222 0.000 2.595 303 S HA 0.758 5.239 4.470 0.019 0.000 0.281 303 S C -1.457 173.201 174.600 0.097 0.000 1.117 303 S CA -0.857 57.410 58.200 0.111 0.000 0.873 303 S CB 2.688 65.931 63.200 0.072 0.000 1.108 303 S HN 0.475 nan 8.310 nan 0.000 0.477 304 E N 0.951 121.175 120.200 0.039 0.000 2.248 304 E HA 0.499 4.860 4.350 0.019 0.000 0.267 304 E C -1.040 175.578 176.600 0.030 0.000 0.877 304 E CA -0.494 55.933 56.400 0.044 0.000 0.759 304 E CB 2.242 31.960 29.700 0.029 0.000 1.182 304 E HN 0.769 nan 8.360 nan 0.000 0.418 305 E N 1.147 121.370 120.200 0.038 0.000 2.312 305 E HA 0.476 4.837 4.350 0.019 0.000 0.267 305 E C -1.283 175.343 176.600 0.043 0.000 0.894 305 E CA -0.791 55.626 56.400 0.030 0.000 0.773 305 E CB 2.176 31.881 29.700 0.009 0.000 1.241 305 E HN 0.192 nan 8.360 nan 0.000 0.432 306 D N 0.623 121.057 120.400 0.057 0.000 2.934 306 D HA 0.268 4.919 4.640 0.019 0.000 0.230 306 D C -1.438 174.814 176.300 -0.081 0.000 1.204 306 D CA -0.380 53.665 54.000 0.076 0.000 0.873 306 D CB 1.750 42.669 40.800 0.199 0.000 1.645 306 D HN 0.350 nan 8.370 nan 0.000 0.502 307 S N 1.248 116.854 115.700 -0.157 0.000 2.578 307 S HA 0.950 5.431 4.470 0.019 0.000 0.301 307 S C -0.555 173.888 174.600 -0.261 0.000 1.091 307 S CA -0.660 57.270 58.200 -0.450 0.000 1.032 307 S CB 1.007 64.076 63.200 -0.219 0.000 1.064 307 S HN 0.419 nan 8.310 nan 0.000 0.508 308 F N -1.480 118.521 119.950 0.086 0.000 2.741 308 F HA 0.579 5.117 4.527 0.019 0.000 0.313 308 F C 0.636 176.499 175.800 0.105 0.000 1.153 308 F CA -1.411 56.638 58.000 0.081 0.000 0.931 308 F CB 0.928 39.958 39.000 0.050 0.000 1.335 308 F HN 0.473 nan 8.300 nan 0.000 0.460 309 K N 0.161 120.768 120.400 0.344 0.000 2.057 309 K HA 0.218 4.549 4.320 0.019 0.000 0.206 309 K C 0.274 177.066 176.600 0.320 0.000 1.050 309 K CA 1.675 58.123 56.287 0.267 0.000 0.935 309 K CB -0.261 32.347 32.500 0.180 0.000 0.715 309 K HN 0.653 nan 8.250 nan 0.000 0.439 310 K N 0.740 121.271 120.400 0.219 0.000 2.565 310 K HA 0.329 4.661 4.320 0.019 0.000 0.251 310 K C -1.723 174.788 176.600 -0.147 0.000 0.956 310 K CA -0.771 55.443 56.287 -0.121 0.000 0.809 310 K CB 1.134 33.454 32.500 -0.301 0.000 1.267 310 K HN 0.216 nan 8.250 nan 0.000 0.438 311 C N 1.933 121.148 119.300 -0.142 0.000 2.301 311 C HA 0.746 5.217 4.460 0.019 0.000 0.323 311 C C 0.722 175.599 174.990 -0.188 0.000 1.265 311 C CA 0.036 58.935 59.018 -0.198 0.000 1.503 311 C CB -0.171 27.472 27.740 -0.163 0.000 2.195 311 C HN 0.834 nan 8.230 nan 0.000 0.477 312 S N 2.410 117.915 115.700 -0.324 0.000 2.663 312 S HA 0.277 4.759 4.470 0.019 0.000 0.243 312 S C -0.110 174.090 174.600 -0.667 0.000 1.009 312 S CA -0.001 57.852 58.200 -0.579 0.000 0.988 312 S CB 0.135 63.105 63.200 -0.382 0.000 0.896 312 S HN 0.879 nan 8.310 nan 0.000 0.502 313 S N 0.598 116.111 115.700 -0.312 0.000 2.543 313 S HA 0.326 4.807 4.470 0.019 0.000 0.271 313 S C 0.273 175.028 174.600 0.259 0.000 1.148 313 S CA -0.592 57.585 58.200 -0.039 0.000 0.914 313 S CB 1.724 64.876 63.200 -0.081 0.000 1.096 313 S HN 0.280 nan 8.310 nan 0.000 0.471 314 E N 3.154 123.566 120.200 0.353 0.000 2.150 314 E HA -0.080 4.281 4.350 0.019 0.000 0.193 314 E C 1.323 177.907 176.600 -0.027 0.000 0.985 314 E CA 1.759 58.268 56.400 0.182 0.000 0.814 314 E CB -0.157 29.680 29.700 0.227 0.000 0.752 314 E HN 0.555 nan 8.360 nan 0.000 0.466 315 V N 1.115 121.028 119.914 -0.001 0.000 2.343 315 V HA -0.251 3.880 4.120 0.019 0.000 0.247 315 V C 2.080 178.128 176.094 -0.077 0.000 1.051 315 V CA 2.299 64.575 62.300 -0.041 0.000 1.036 315 V CB -0.553 31.253 31.823 -0.027 0.000 0.654 315 V HN 0.301 nan 8.190 nan 0.000 0.451 316 E N 0.234 120.384 120.200 -0.083 0.000 2.072 316 E HA -0.076 4.285 4.350 0.019 0.000 0.190 316 E C 2.345 178.846 176.600 -0.166 0.000 0.982 316 E CA 1.127 57.453 56.400 -0.125 0.000 0.803 316 E CB -0.362 29.251 29.700 -0.145 0.000 0.755 316 E HN 0.578 nan 8.360 nan 0.000 0.453 317 A N 1.670 124.383 122.820 -0.177 0.000 1.902 317 A HA -0.240 4.091 4.320 0.019 0.000 0.217 317 A C 2.052 179.440 177.584 -0.326 0.000 1.181 317 A CA 1.597 53.457 52.037 -0.295 0.000 0.623 317 A CB -0.380 18.278 19.000 -0.570 0.000 0.818 317 A HN 0.060 nan 8.150 nan 0.000 0.443 318 K N -0.356 119.866 120.400 -0.297 0.000 2.063 318 K HA -0.233 4.099 4.320 0.019 0.000 0.208 318 K C 2.183 178.701 176.600 -0.136 0.000 1.048 318 K CA 1.805 57.965 56.287 -0.212 0.000 0.928 318 K CB -0.551 31.858 32.500 -0.152 0.000 0.713 318 K HN 0.597 nan 8.250 nan 0.000 0.442 319 N N 1.349 119.976 118.700 -0.121 0.000 2.084 319 N HA -0.197 4.554 4.740 0.019 0.000 0.190 319 N C 1.828 177.290 175.510 -0.080 0.000 1.030 319 N CA 1.842 54.840 53.050 -0.088 0.000 0.849 319 N CB -0.408 38.027 38.487 -0.085 0.000 1.012 319 N HN 0.080 nan 8.380 nan 0.000 0.423 320 K N 0.455 120.792 120.400 -0.104 0.000 2.001 320 K HA 0.091 4.422 4.320 0.019 0.000 0.214 320 K C 1.996 178.576 176.600 -0.033 0.000 1.050 320 K CA 1.137 57.381 56.287 -0.072 0.000 0.934 320 K CB -0.717 31.718 32.500 -0.109 0.000 0.718 320 K HN 0.568 nan 8.250 nan 0.000 0.443 321 I N 0.758 121.293 120.570 -0.059 0.000 2.208 321 I HA -0.318 3.863 4.170 0.019 0.000 0.245 321 I C 2.108 178.201 176.117 -0.040 0.000 1.097 321 I CA 1.393 62.666 61.300 -0.046 0.000 1.363 321 I CB -0.242 37.709 38.000 -0.081 0.000 1.051 321 I HN 0.297 nan 8.210 nan 0.000 0.413 322 E N 0.538 120.710 120.200 -0.046 0.000 2.070 322 E HA -0.279 4.082 4.350 0.019 0.000 0.197 322 E C 2.116 178.706 176.600 -0.016 0.000 1.004 322 E CA 1.581 57.964 56.400 -0.029 0.000 0.805 322 E CB -0.111 29.570 29.700 -0.032 0.000 0.744 322 E HN 0.523 nan 8.360 nan 0.000 0.451 323 E N 0.443 120.634 120.200 -0.016 0.000 2.085 323 E HA -0.193 4.168 4.350 0.019 0.000 0.194 323 E C 2.228 178.829 176.600 0.002 0.000 0.994 323 E CA 0.809 57.207 56.400 -0.004 0.000 0.801 323 E CB -0.079 29.621 29.700 -0.000 0.000 0.743 323 E HN 0.247 nan 8.360 nan 0.000 0.453 324 L N 0.652 121.875 121.223 -0.001 0.000 2.046 324 L HA -0.194 4.157 4.340 0.019 0.000 0.208 324 L C 2.542 179.394 176.870 -0.030 0.000 1.077 324 L CA 0.809 55.645 54.840 -0.007 0.000 0.747 324 L CB -0.369 41.684 42.059 -0.010 0.000 0.896 324 L HN 0.194 nan 8.230 nan 0.000 0.432 325 L N -0.334 120.867 121.223 -0.036 0.000 2.012 325 L HA -0.253 4.098 4.340 0.019 0.000 0.210 325 L C 2.872 179.759 176.870 0.028 0.000 1.073 325 L CA 1.390 56.216 54.840 -0.023 0.000 0.748 325 L CB -0.542 41.516 42.059 -0.001 0.000 0.891 325 L HN 0.291 nan 8.230 nan 0.000 0.431 326 A N -0.941 121.891 122.820 0.020 0.000 1.908 326 A HA -0.223 4.108 4.320 0.019 0.000 0.218 326 A C 2.444 180.048 177.584 0.032 0.000 1.181 326 A CA 2.157 54.210 52.037 0.027 0.000 0.627 326 A CB -0.660 18.348 19.000 0.014 0.000 0.818 326 A HN 0.432 nan 8.150 nan 0.000 0.445 327 S N -0.230 115.486 115.700 0.028 0.000 2.359 327 S HA -0.120 4.361 4.470 0.019 0.000 0.224 327 S C 1.839 176.474 174.600 0.058 0.000 1.035 327 S CA 1.555 59.777 58.200 0.037 0.000 1.018 327 S CB -0.448 62.773 63.200 0.036 0.000 0.876 327 S HN 0.502 nan 8.310 nan 0.000 0.448 328 L N 0.915 122.176 121.223 0.063 0.000 2.093 328 L HA -0.039 4.312 4.340 0.019 0.000 0.208 328 L C 2.181 179.158 176.870 0.177 0.000 1.085 328 L CA 0.853 55.764 54.840 0.119 0.000 0.755 328 L CB -0.462 41.608 42.059 0.018 0.000 0.904 328 L HN 0.293 nan 8.230 nan 0.000 0.435 329 L N 0.027 121.350 121.223 0.168 0.000 2.083 329 L HA -0.227 4.124 4.340 0.019 0.000 0.209 329 L C 2.954 179.839 176.870 0.025 0.000 1.083 329 L CA 1.568 56.474 54.840 0.110 0.000 0.752 329 L CB -1.366 40.747 42.059 0.090 0.000 0.899 329 L HN 0.480 nan 8.230 nan 0.000 0.433 330 N N 0.335 119.051 118.700 0.026 0.000 2.120 330 N HA -0.191 4.560 4.740 0.019 0.000 0.188 330 N C 2.101 177.604 175.510 -0.012 0.000 1.024 330 N CA 1.411 54.464 53.050 0.004 0.000 0.852 330 N CB -0.510 37.984 38.487 0.012 0.000 1.003 330 N HN 0.319 nan 8.380 nan 0.000 0.424 331 R N -0.068 120.433 120.500 0.001 0.000 2.096 331 R HA -0.035 4.317 4.340 0.019 0.000 0.235 331 R C 2.312 178.499 176.300 -0.187 0.000 1.127 331 R CA 1.313 57.398 56.100 -0.024 0.000 0.968 331 R CB -0.588 29.759 30.300 0.078 0.000 0.861 331 R HN 0.422 nan 8.270 nan 0.000 0.440 332 V N 1.701 121.478 119.914 -0.228 0.000 2.282 332 V HA -0.290 3.841 4.120 0.019 0.000 0.249 332 V C 2.142 178.106 176.094 -0.217 0.000 1.057 332 V CA 1.756 63.865 62.300 -0.319 0.000 1.032 332 V CB -1.083 30.589 31.823 -0.252 0.000 0.645 332 V HN 0.595 nan 8.190 nan 0.000 0.447 338 K N 2.091 122.488 120.400 -0.004 0.000 2.324 338 K HA 0.616 4.947 4.320 0.019 0.000 0.253 338 K C -2.794 173.830 176.600 0.040 0.000 0.932 338 K CA -1.924 54.331 56.287 -0.053 0.000 0.799 338 K CB 1.354 33.809 32.500 -0.075 0.000 1.154 338 K HN 0.342 nan 8.250 nan 0.000 0.425 339 P HA 0.284 nan 4.420 nan 0.000 0.275 339 P C -0.580 176.726 177.300 0.009 0.000 1.227 339 P CA 0.165 63.255 63.100 -0.016 0.000 0.781 339 P CB 0.894 32.462 31.700 -0.219 0.000 0.906 340 H N -0.857 118.193 119.070 -0.033 0.000 2.755 340 H HA 0.259 4.826 4.556 0.019 0.000 0.273 340 H C -0.006 175.330 175.328 0.013 0.000 1.055 340 H CA 0.505 56.537 56.048 -0.026 0.000 1.191 340 H CB 0.566 30.320 29.762 -0.013 0.000 1.536 340 H HN 0.317 nan 8.280 nan 0.000 0.529 341 T N 0.288 114.936 114.554 0.156 0.000 2.893 341 T HA 0.485 4.846 4.350 0.019 0.000 0.293 341 T C -1.136 173.700 174.700 0.227 0.000 1.027 341 T CA -0.630 61.561 62.100 0.151 0.000 0.988 341 T CB 2.669 71.618 68.868 0.135 0.000 1.043 341 T HN -0.081 nan 8.240 nan 0.000 0.461 342 V N 3.528 123.567 119.914 0.208 0.000 2.680 342 V HA 0.885 5.016 4.120 0.019 0.000 0.309 342 V C -1.167 175.001 176.094 0.123 0.000 1.052 342 V CA -0.888 61.559 62.300 0.244 0.000 0.908 342 V CB 1.733 33.729 31.823 0.289 0.000 1.001 342 V HN 0.974 nan 8.190 nan 0.000 0.431 343 R N 4.737 125.282 120.500 0.076 0.000 2.771 343 R HA 0.829 5.181 4.340 0.019 0.000 0.274 343 R C -1.931 174.382 176.300 0.022 0.000 0.987 343 R CA -0.871 55.260 56.100 0.050 0.000 0.908 343 R CB 2.005 32.337 30.300 0.055 0.000 1.213 343 R HN 0.610 nan 8.270 nan 0.000 0.468 344 L N 2.429 123.673 121.223 0.036 0.000 2.362 344 L HA 0.602 4.953 4.340 0.019 0.000 0.275 344 L C -1.648 175.251 176.870 0.049 0.000 0.998 344 L CA -0.749 54.118 54.840 0.045 0.000 0.820 344 L CB 1.792 43.897 42.059 0.077 0.000 1.270 344 L HN 0.739 nan 8.230 nan 0.000 0.415 345 I N 6.077 126.677 120.570 0.051 0.000 2.433 345 I HA 0.531 4.712 4.170 0.019 0.000 0.292 345 I C -0.084 176.075 176.117 0.069 0.000 1.001 345 I CA -0.289 61.039 61.300 0.046 0.000 1.119 345 I CB 1.670 39.687 38.000 0.030 0.000 1.289 345 I HN 0.607 nan 8.210 nan 0.000 0.438 346 I N 2.425 123.033 120.570 0.063 0.000 2.910 346 I HA 0.756 4.937 4.170 0.019 0.000 0.310 346 I C -0.656 175.496 176.117 0.058 0.000 1.043 346 I CA -0.952 60.400 61.300 0.087 0.000 1.053 346 I CB 2.141 40.198 38.000 0.094 0.000 1.242 346 I HN 0.592 nan 8.210 nan 0.000 0.452 347 R N 2.995 123.538 120.500 0.072 0.000 2.514 347 R HA 0.528 4.879 4.340 0.019 0.000 0.296 347 R C -1.135 175.245 176.300 0.134 0.000 1.012 347 R CA -0.702 55.438 56.100 0.065 0.000 0.897 347 R CB 1.657 31.967 30.300 0.018 0.000 1.184 347 R HN 0.897 nan 8.270 nan 0.000 0.440 348 R N 2.700 123.293 120.500 0.155 0.000 2.607 348 R HA 0.570 4.921 4.340 0.019 0.000 0.261 348 R C -0.880 175.603 176.300 0.306 0.000 1.051 348 R CA -0.698 55.541 56.100 0.232 0.000 1.110 348 R CB 0.679 31.093 30.300 0.190 0.000 1.158 348 R HN 0.634 nan 8.270 nan 0.000 0.543 357 R N 1.578 122.076 120.500 -0.004 0.000 2.543 357 R HA 0.522 4.873 4.340 0.019 0.000 0.277 357 R C -0.527 175.778 176.300 0.008 0.000 1.074 357 R CA 0.213 56.316 56.100 0.004 0.000 1.076 357 R CB 0.950 31.250 30.300 0.001 0.000 0.993 357 R HN 0.393 nan 8.270 nan 0.000 0.459 358 E N 0.535 120.742 120.200 0.011 0.000 2.256 358 E HA 0.361 4.722 4.350 0.019 0.000 0.267 358 E C -0.772 175.833 176.600 0.008 0.000 0.892 358 E CA -0.627 55.776 56.400 0.005 0.000 0.775 358 E CB 2.324 32.020 29.700 -0.006 0.000 1.207 358 E HN 0.673 nan 8.360 nan 0.000 0.420 359 S N 2.029 117.733 115.700 0.007 0.000 2.564 359 S HA 0.767 5.248 4.470 0.019 0.000 0.274 359 S C -0.976 173.631 174.600 0.012 0.000 1.124 359 S CA -1.046 57.163 58.200 0.015 0.000 0.869 359 S CB 2.049 65.262 63.200 0.022 0.000 1.105 359 S HN 0.307 nan 8.310 nan 0.000 0.472 360 R N 1.384 121.895 120.500 0.019 0.000 2.575 360 R HA 0.547 4.898 4.340 0.019 0.000 0.293 360 R C -0.913 175.408 176.300 0.035 0.000 0.983 360 R CA -0.474 55.638 56.100 0.021 0.000 0.887 360 R CB 1.793 32.101 30.300 0.013 0.000 1.184 360 R HN 0.954 nan 8.270 nan 0.000 0.445 361 Q N 1.465 121.288 119.800 0.038 0.000 2.528 361 Q HA 0.850 5.201 4.340 0.019 0.000 0.289 361 Q C -0.962 175.067 176.000 0.048 0.000 1.091 361 Q CA -0.945 54.889 55.803 0.051 0.000 0.797 361 Q CB 2.250 31.022 28.738 0.057 0.000 1.466 361 Q HN 0.763 nan 8.270 nan 0.000 0.436 362 C N -2.732 116.602 119.300 0.057 0.000 3.312 362 C HA 0.693 5.164 4.460 0.019 0.000 0.332 362 C C -2.938 172.085 174.990 0.056 0.000 1.340 362 C CA -1.596 57.452 59.018 0.049 0.000 1.265 362 C CB 0.797 28.562 27.740 0.041 0.000 1.563 362 C HN 0.767 nan 8.230 nan 0.000 0.471 363 P HA 0.411 nan 4.420 nan 0.000 0.271 363 P C -0.736 176.568 177.300 0.007 0.000 1.244 363 P CA -0.099 63.023 63.100 0.037 0.000 0.793 363 P CB 0.333 32.050 31.700 0.028 0.000 0.984 364 I N 2.041 122.590 120.570 -0.034 0.000 2.321 364 I HA 0.258 4.439 4.170 0.019 0.000 0.291 364 I C -2.042 173.968 176.117 -0.179 0.000 0.998 364 I CA -2.516 58.724 61.300 -0.099 0.000 1.227 364 I CB 1.038 38.953 38.000 -0.141 0.000 1.368 364 I HN 0.149 nan 8.210 nan 0.000 0.466 365 P HA 0.030 nan 4.420 nan 0.000 0.265 365 P C 0.598 177.666 177.300 -0.387 0.000 1.187 365 P CA 0.256 63.163 63.100 -0.322 0.000 0.766 365 P CB 0.613 32.001 31.700 -0.521 0.000 0.820 366 S N 1.842 117.381 115.700 -0.268 0.000 2.365 366 S HA -0.249 4.232 4.470 0.019 0.000 0.225 366 S C 1.716 176.215 174.600 -0.168 0.000 1.039 366 S CA 1.683 59.774 58.200 -0.182 0.000 1.033 366 S CB -1.120 62.041 63.200 -0.064 0.000 0.887 366 S HN 0.714 nan 8.310 nan 0.000 0.447 367 H N 0.381 119.421 119.070 -0.050 0.000 2.421 367 H HA 0.031 4.598 4.556 0.019 0.000 0.298 367 H C 1.938 177.234 175.328 -0.055 0.000 1.087 367 H CA 1.531 57.553 56.048 -0.044 0.000 1.330 367 H CB -0.681 29.064 29.762 -0.028 0.000 1.388 367 H HN 0.319 nan 8.280 nan 0.000 0.526 368 V N 1.944 121.646 119.914 -0.353 0.000 2.453 368 V HA -0.121 4.010 4.120 0.019 0.000 0.247 368 V C 1.735 177.727 176.094 -0.170 0.000 1.048 368 V CA 0.986 63.176 62.300 -0.183 0.000 1.049 368 V CB -0.334 31.346 31.823 -0.238 0.000 0.672 368 V HN 0.210 nan 8.190 nan 0.000 0.457 369 I N 2.226 122.658 120.570 -0.229 0.000 2.349 369 I HA 0.435 4.616 4.170 0.019 0.000 0.302 369 I C 0.452 176.485 176.117 -0.140 0.000 1.180 369 I CA 0.791 61.953 61.300 -0.231 0.000 1.405 369 I CB -0.670 37.117 38.000 -0.355 0.000 1.474 369 I HN 0.441 nan 8.210 nan 0.000 0.632 370 Q N 5.482 125.221 119.800 -0.102 0.000 3.335 370 Q HA 0.265 4.616 4.340 0.019 0.000 0.185 370 Q C -1.275 174.696 176.000 -0.048 0.000 0.811 370 Q CA -1.095 54.674 55.803 -0.056 0.000 1.205 370 Q CB 0.254 28.978 28.738 -0.024 0.000 1.580 370 Q HN 0.408 nan 8.270 nan 0.000 0.587 379 V N 3.904 123.828 119.914 0.017 0.000 2.871 379 V HA -0.074 4.057 4.120 0.019 0.000 0.256 379 V C 1.882 177.998 176.094 0.036 0.000 1.082 379 V CA 1.091 63.406 62.300 0.025 0.000 1.105 379 V CB -0.368 31.457 31.823 0.005 0.000 0.713 379 V HN 0.600 nan 8.190 nan 0.000 0.473 380 M N 0.831 120.450 119.600 0.030 0.000 2.080 380 M HA -0.152 4.340 4.480 0.019 0.000 0.260 380 M C 2.423 178.741 176.300 0.030 0.000 1.068 380 M CA 2.658 57.977 55.300 0.031 0.000 1.109 380 M CB -1.465 31.147 32.600 0.020 0.000 1.342 380 M HN 0.733 nan 8.290 nan 0.000 0.405 381 T N -1.402 113.167 114.554 0.025 0.000 2.777 381 T HA -0.015 4.346 4.350 0.019 0.000 0.266 381 T C -0.709 174.011 174.700 0.033 0.000 1.040 381 T CA 0.851 62.965 62.100 0.022 0.000 1.141 381 T CB -1.828 67.049 68.868 0.015 0.000 0.868 381 T HN 0.227 nan 8.240 nan 0.000 0.444 382 P HA 0.096 nan 4.420 nan 0.000 0.222 382 P C 1.719 179.054 177.300 0.058 0.000 1.153 382 P CA 0.747 63.885 63.100 0.064 0.000 0.798 382 P CB -0.140 31.620 31.700 0.100 0.000 0.796 383 M N 0.063 119.696 119.600 0.056 0.000 2.156 383 M HA -0.066 4.425 4.480 0.019 0.000 0.264 383 M C 2.331 178.664 176.300 0.055 0.000 1.067 383 M CA 1.368 56.709 55.300 0.068 0.000 1.131 383 M CB -1.436 31.224 32.600 0.100 0.000 1.368 383 M HN -0.104 nan 8.290 nan 0.000 0.416 384 V N -1.095 118.841 119.914 0.037 0.000 2.490 384 V HA -0.161 3.970 4.120 0.019 0.000 0.250 384 V C 1.984 178.088 176.094 0.018 0.000 1.061 384 V CA 2.411 64.720 62.300 0.015 0.000 1.064 384 V CB -2.430 29.392 31.823 -0.002 0.000 0.670 384 V HN 0.460 nan 8.190 nan 0.000 0.461 385 D N 1.083 121.499 120.400 0.028 0.000 2.084 385 D HA -0.132 4.519 4.640 0.019 0.000 0.194 385 D C 2.020 178.345 176.300 0.042 0.000 0.990 385 D CA 2.048 56.067 54.000 0.032 0.000 0.826 385 D CB -0.540 40.282 40.800 0.036 0.000 0.971 385 D HN 0.545 nan 8.370 nan 0.000 0.453 386 I N -0.050 120.548 120.570 0.047 0.000 2.118 386 I HA -0.245 3.936 4.170 0.019 0.000 0.241 386 I C 2.803 178.954 176.117 0.056 0.000 1.070 386 I CA 1.174 62.504 61.300 0.051 0.000 1.327 386 I CB -0.207 37.824 38.000 0.053 0.000 1.034 386 I HN 0.212 nan 8.210 nan 0.000 0.405 387 L N -0.763 120.492 121.223 0.054 0.000 2.093 387 L HA -0.207 4.144 4.340 0.019 0.000 0.208 387 L C 2.546 179.466 176.870 0.083 0.000 1.085 387 L CA 0.898 55.773 54.840 0.058 0.000 0.755 387 L CB -0.389 41.689 42.059 0.032 0.000 0.904 387 L HN 0.282 nan 8.230 nan 0.000 0.435 388 M N -0.471 119.164 119.600 0.059 0.000 2.229 388 M HA -0.162 4.329 4.480 0.019 0.000 0.264 388 M C 2.159 178.546 176.300 0.145 0.000 1.063 388 M CA 1.592 56.946 55.300 0.089 0.000 1.114 388 M CB -0.852 31.762 32.600 0.022 0.000 1.387 388 M HN 0.140 nan 8.290 nan 0.000 0.420 389 K N 0.244 120.699 120.400 0.091 0.000 2.026 389 K HA -0.079 4.252 4.320 0.019 0.000 0.208 389 K C 2.064 178.706 176.600 0.071 0.000 1.048 389 K CA 1.079 57.410 56.287 0.073 0.000 0.929 389 K CB -0.327 32.204 32.500 0.052 0.000 0.713 389 K HN 0.269 nan 8.250 nan 0.000 0.439 390 L N 0.017 121.287 121.223 0.078 0.000 2.012 390 L HA -0.218 4.133 4.340 0.019 0.000 0.210 390 L C 2.422 179.335 176.870 0.071 0.000 1.073 390 L CA 1.323 56.203 54.840 0.066 0.000 0.748 390 L CB -0.552 41.549 42.059 0.071 0.000 0.891 390 L HN 0.140 nan 8.230 nan 0.000 0.431 391 F N 0.993 120.925 119.950 -0.030 0.000 2.069 391 F HA -0.242 4.296 4.527 0.018 0.000 0.298 391 F C 2.780 178.526 175.800 -0.089 0.000 1.113 391 F CA 1.621 59.586 58.000 -0.059 0.000 1.214 391 F CB -0.201 38.765 39.000 -0.056 0.000 0.978 391 F HN -0.142 nan 8.300 nan 0.000 0.474 392 R N 0.092 120.626 120.500 0.057 0.000 2.152 392 R HA -0.197 4.154 4.340 0.019 0.000 0.232 392 R C 2.179 178.406 176.300 -0.122 0.000 1.117 392 R CA 1.307 57.376 56.100 -0.052 0.000 0.981 392 R CB -0.801 29.532 30.300 0.055 0.000 0.870 392 R HN 0.503 nan 8.270 nan 0.000 0.451 393 N N 0.167 118.816 118.700 -0.085 0.000 2.331 393 N HA -0.133 4.618 4.740 0.019 0.000 0.180 393 N C 1.655 177.095 175.510 -0.117 0.000 1.019 393 N CA 0.832 53.837 53.050 -0.074 0.000 0.881 393 N CB 0.166 38.633 38.487 -0.034 0.000 0.972 393 N HN 0.211 nan 8.380 nan 0.000 0.435 394 M N 0.247 119.733 119.600 -0.190 0.000 2.615 394 M HA 0.123 4.614 4.480 0.019 0.000 0.262 394 M C -0.431 175.683 176.300 -0.310 0.000 1.198 394 M CA 0.388 55.563 55.300 -0.209 0.000 1.165 394 M CB 0.927 33.408 32.600 -0.199 0.000 1.310 394 M HN -0.210 nan 8.290 nan 0.000 0.494 395 V N 1.464 121.064 119.914 -0.524 0.000 2.384 395 V HA 0.229 4.361 4.120 0.019 0.000 0.287 395 V C -0.661 175.162 176.094 -0.451 0.000 1.020 395 V CA -0.873 61.035 62.300 -0.654 0.000 0.850 395 V CB 1.067 32.080 31.823 -1.349 0.000 0.987 395 V HN 0.263 nan 8.190 nan 0.000 0.436 396 N N 3.044 121.591 118.700 -0.255 0.000 2.402 396 N HA 0.167 4.918 4.740 0.019 0.000 0.259 396 N C 0.976 176.463 175.510 -0.038 0.000 1.167 396 N CA -0.271 52.714 53.050 -0.108 0.000 0.949 396 N CB 1.207 39.675 38.487 -0.032 0.000 1.212 396 N HN 0.652 nan 8.380 nan 0.000 0.493 397 V N 0.481 120.385 119.914 -0.017 0.000 3.129 397 V HA 0.108 4.239 4.120 0.019 0.000 0.259 397 V C 2.162 178.376 176.094 0.200 0.000 1.116 397 V CA 1.476 63.870 62.300 0.157 0.000 1.127 397 V CB -0.997 30.926 31.823 0.167 0.000 0.742 397 V HN 0.556 nan 8.190 nan 0.000 0.474 398 K N -0.373 120.094 120.400 0.113 0.000 2.432 398 K HA 0.342 4.673 4.320 0.019 0.000 0.196 398 K C 0.941 177.597 176.600 0.094 0.000 1.038 398 K CA 1.182 57.524 56.287 0.091 0.000 0.986 398 K CB -0.289 32.245 32.500 0.056 0.000 0.782 398 K HN 0.584 nan 8.250 nan 0.000 0.485 399 M N 0.295 119.967 119.600 0.120 0.000 2.508 399 M HA 0.433 4.924 4.480 0.019 0.000 0.327 399 M C -2.717 173.694 176.300 0.185 0.000 1.160 399 M CA -2.706 52.663 55.300 0.115 0.000 0.980 399 M CB 2.218 34.870 32.600 0.086 0.000 1.693 399 M HN -0.192 nan 8.290 nan 0.000 0.452 400 P HA 0.129 nan 4.420 nan 0.000 0.264 400 P C -1.581 175.832 177.300 0.190 0.000 1.179 400 P CA 0.452 63.594 63.100 0.070 0.000 0.763 400 P CB -0.021 31.693 31.700 0.023 0.000 0.806 401 F N -0.600 119.385 119.950 0.059 0.000 2.626 401 F HA 0.643 5.181 4.527 0.018 0.000 0.311 401 F C -0.921 174.957 175.800 0.130 0.000 1.088 401 F CA -0.910 57.139 58.000 0.081 0.000 0.949 401 F CB 1.632 40.666 39.000 0.056 0.000 1.322 401 F HN 0.252 nan 8.300 nan 0.000 0.461 402 H N 3.669 122.883 119.070 0.240 0.000 3.108 402 H HA 0.461 5.028 4.556 0.018 0.000 0.301 402 H C -1.810 173.674 175.328 0.261 0.000 1.139 402 H CA -0.430 55.712 56.048 0.156 0.000 1.552 402 H CB 1.032 30.822 29.762 0.046 0.000 1.663 402 H HN 0.755 nan 8.280 nan 0.000 0.517 403 L N 3.368 124.822 121.223 0.386 0.000 2.357 403 L HA 0.296 4.647 4.340 0.019 0.000 0.273 403 L C 1.318 178.489 176.870 0.502 0.000 1.080 403 L CA -0.220 54.899 54.840 0.464 0.000 0.803 403 L CB 1.825 44.210 42.059 0.543 0.000 1.174 403 L HN 0.634 nan 8.230 nan 0.000 0.443 404 T N -0.634 114.086 114.554 0.277 0.000 3.058 404 T HA 0.379 4.740 4.350 0.019 0.000 0.278 404 T C -0.203 174.119 174.700 -0.630 0.000 0.974 404 T CA -0.203 61.878 62.100 -0.031 0.000 0.893 404 T CB 0.242 69.179 68.868 0.116 0.000 1.138 404 T HN 0.364 nan 8.240 nan 0.000 0.529 405 L N 0.468 121.394 121.223 -0.495 0.000 2.549 405 L HA 0.667 5.018 4.340 0.019 0.000 0.259 405 L C -2.283 174.559 176.870 -0.046 0.000 0.934 405 L CA -0.965 53.585 54.840 -0.483 0.000 0.865 405 L CB 2.140 44.063 42.059 -0.226 0.000 1.352 405 L HN 0.140 nan 8.230 nan 0.000 0.410 406 L N 3.370 124.635 121.223 0.070 0.000 2.386 406 L HA 0.744 5.095 4.340 0.019 0.000 0.271 406 L C -0.673 176.259 176.870 0.104 0.000 0.993 406 L CA -0.333 54.629 54.840 0.203 0.000 0.819 406 L CB 2.199 44.468 42.059 0.349 0.000 1.294 406 L HN 0.602 nan 8.230 nan 0.000 0.414 407 S N 2.073 117.817 115.700 0.073 0.000 2.548 407 S HA 0.770 5.251 4.470 0.019 0.000 0.276 407 S C -1.293 173.314 174.600 0.010 0.000 1.129 407 S CA -0.467 57.753 58.200 0.033 0.000 0.931 407 S CB 1.771 64.983 63.200 0.020 0.000 1.068 407 S HN 0.230 nan 8.310 nan 0.000 0.480 408 V N 3.544 123.438 119.914 -0.034 0.000 2.555 408 V HA 0.641 4.772 4.120 0.019 0.000 0.302 408 V C -0.139 175.869 176.094 -0.143 0.000 1.038 408 V CA -0.737 61.498 62.300 -0.109 0.000 0.887 408 V CB 1.306 33.016 31.823 -0.189 0.000 0.991 408 V HN 0.998 nan 8.190 nan 0.000 0.434 409 C N 5.784 125.003 119.300 -0.135 0.000 2.441 409 C HA 0.689 5.160 4.460 0.019 0.000 0.318 409 C C -0.554 174.407 174.990 -0.049 0.000 1.222 409 C CA -0.782 58.197 59.018 -0.064 0.000 1.474 409 C CB 0.200 27.964 27.740 0.041 0.000 2.125 409 C HN 0.787 nan 8.230 nan 0.000 0.479 410 F N 5.365 125.398 119.950 0.139 0.000 2.405 410 F HA 0.537 5.075 4.527 0.018 0.000 0.355 410 F C 1.110 177.017 175.800 0.179 0.000 1.121 410 F CA -0.599 57.481 58.000 0.133 0.000 1.112 410 F CB 0.840 39.903 39.000 0.105 0.000 1.126 410 F HN 0.848 nan 8.300 nan 0.000 0.481 411 C N 0.891 120.396 119.300 0.342 0.000 3.205 411 C HA 0.578 5.049 4.460 0.019 0.000 0.372 411 C C 0.387 175.495 174.990 0.197 0.000 1.892 411 C CA -1.222 57.940 59.018 0.241 0.000 1.516 411 C CB 0.998 28.839 27.740 0.168 0.000 2.371 411 C HN 0.900 nan 8.230 nan 0.000 0.468 412 N N -0.384 118.403 118.700 0.144 0.000 2.714 412 N HA -0.145 4.606 4.740 0.019 0.000 0.253 412 N C -0.913 174.656 175.510 0.098 0.000 1.024 412 N CA 0.199 53.311 53.050 0.103 0.000 0.726 412 N CB -1.316 37.232 38.487 0.103 0.000 0.908 412 N HN 0.648 nan 8.380 nan 0.000 0.542 413 L N -0.257 121.033 121.223 0.112 0.000 2.453 413 L HA 0.479 4.830 4.340 0.019 0.000 0.272 413 L C 1.363 178.238 176.870 0.009 0.000 1.182 413 L CA 0.911 55.814 54.840 0.105 0.000 0.858 413 L CB -0.047 42.106 42.059 0.157 0.000 1.120 413 L HN 0.436 nan 8.230 nan 0.000 0.474 414 K N 0.000 120.385 120.400 -0.024 0.000 2.780 414 K HA 0.000 4.331 4.320 0.019 0.000 0.191 414 K CA 0.000 56.222 56.287 -0.108 0.000 0.838 414 K CB 0.000 32.279 32.500 -0.369 0.000 1.064 414 K HN 0.000 nan 8.250 nan 0.000 0.543