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 2vgf_1_B DATA FIRST_RESID 57 DATA SEQUENCE QQQQLPAAMA DTFLEHLCLL DIDSEPVAAR STSIIATIGP ASRSVERLKE DATA SEQUENCE MIKAGMNIAR LNFSHGSHEY HAESIANVRE AVESFAGSPL SYRPVAIALD DATA SEQUENCE TKGPEIRTGI XXXXXXXXVE LVKGSQVLVT XXXXXXXXXX ANTVWVDYPN DATA SEQUENCE IVRVVPVGGR IYIDDGLISL VVXXXXXXXX VTQVENGGVL GSRKGVNLPG DATA SEQUENCE AQVDLPGLSE QDVRDLRFGV EHGVDIVFAS FVRKASDVAA VRAALGPEGH DATA SEQUENCE GIKIISKIEN HEGVKRFDEI LEVSDGIMVA RGDLGIEIPA EKVFLAQKMM DATA SEQUENCE IGRCNLAGKP VVCATQMLES MITKPRPMRA ETSDVANAVL DGADCIMLSG DATA SEQUENCE ETAKGNFPVE AVKMQHAIAR EAEAAVYHRQ LFEELRRAAP LSRDPTEVTA DATA SEQUENCE IGAVEAAFKC CAAAIIVLTT TGRSAQLLSR YRPRAAVIAV TRSAQAARQV DATA SEQUENCE HLCRGVFPLL YREPPEAIWA DDVDRRVQFG IESGKLRGFL RVGDLVIVVT DATA SEQUENCE GWRPGSGYTN IMRVLSI 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 57 Q HA 0.000 nan 4.340 nan 0.000 0.214 57 Q C 0.000 176.005 176.000 0.008 0.000 1.003 57 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 57 Q CB 0.000 28.747 28.738 0.016 0.000 1.108 58 Q N 0.106 119.914 119.800 0.014 0.000 2.823 58 Q HA 0.436 4.759 4.340 -0.028 0.000 0.230 58 Q C -0.773 175.243 176.000 0.027 0.000 1.026 58 Q CA -0.714 55.099 55.803 0.016 0.000 0.940 58 Q CB 0.644 29.391 28.738 0.015 0.000 1.382 58 Q HN 0.455 nan 8.270 nan 0.000 0.502 59 Q N 1.080 120.900 119.800 0.033 0.000 2.349 59 Q HA -0.324 3.999 4.340 -0.028 0.000 0.340 59 Q C -0.814 175.226 176.000 0.067 0.000 1.268 59 Q CA 0.412 56.247 55.803 0.054 0.000 1.017 59 Q CB -1.512 27.265 28.738 0.065 0.000 1.258 59 Q HN 0.411 nan 8.270 nan 0.000 0.438 60 Q N -1.729 118.094 119.800 0.038 0.000 2.411 60 Q HA -0.251 4.072 4.340 -0.028 0.000 0.305 60 Q C 0.707 176.739 176.000 0.053 0.000 1.273 60 Q CA 1.017 56.834 55.803 0.023 0.000 0.895 60 Q CB -1.022 27.722 28.738 0.011 0.000 1.198 60 Q HN 0.480 nan 8.270 nan 0.000 0.470 61 L N 0.180 121.436 121.223 0.056 0.000 2.042 61 L HA -0.109 4.214 4.340 -0.028 0.000 0.210 61 L C -0.322 176.584 176.870 0.060 0.000 1.076 61 L CA 2.312 57.195 54.840 0.073 0.000 0.749 61 L CB -1.824 40.271 42.059 0.059 0.000 0.893 61 L HN 0.240 nan 8.230 nan 0.000 0.432 62 P HA -0.137 nan 4.420 nan 0.000 0.216 62 P C 1.599 178.899 177.300 0.000 0.000 1.150 62 P CA 1.826 64.931 63.100 0.010 0.000 0.837 62 P CB -0.033 31.657 31.700 -0.017 0.000 0.786 63 A N 0.182 122.977 122.820 -0.041 0.000 1.898 63 A HA -0.065 4.238 4.320 -0.028 0.000 0.216 63 A C 2.328 179.994 177.584 0.136 0.000 1.181 63 A CA 1.912 53.874 52.037 -0.124 0.000 0.620 63 A CB -1.609 17.160 19.000 -0.385 0.000 0.819 63 A HN 0.185 nan 8.150 nan 0.000 0.442 64 A N -0.993 121.962 122.820 0.224 0.000 2.076 64 A HA -0.081 4.222 4.320 -0.028 0.000 0.220 64 A C 1.842 179.622 177.584 0.327 0.000 1.160 64 A CA 1.739 53.993 52.037 0.362 0.000 0.653 64 A CB -0.396 18.785 19.000 0.302 0.000 0.801 64 A HN 0.450 nan 8.150 nan 0.000 0.455 65 M N -0.578 119.148 119.600 0.210 0.000 2.383 65 M HA 0.305 4.768 4.480 -0.028 0.000 0.247 65 M C 0.827 177.225 176.300 0.163 0.000 1.117 65 M CA -0.045 55.359 55.300 0.172 0.000 0.995 65 M CB -1.049 31.615 32.600 0.107 0.000 1.480 65 M HN 0.352 nan 8.290 nan 0.000 0.485 66 A N 0.859 123.782 122.820 0.171 0.000 2.366 66 A HA 0.130 4.433 4.320 -0.028 0.000 0.249 66 A C 0.844 178.544 177.584 0.194 0.000 1.084 66 A CA -0.048 52.050 52.037 0.102 0.000 0.794 66 A CB 0.414 19.400 19.000 -0.024 0.000 1.034 66 A HN 0.297 nan 8.150 nan 0.000 0.491 67 D N -0.543 119.937 120.400 0.133 0.000 2.349 67 D HA 0.066 4.689 4.640 -0.028 0.000 0.215 67 D C 0.605 177.028 176.300 0.205 0.000 1.016 67 D CA 1.600 55.696 54.000 0.159 0.000 0.870 67 D CB 0.240 41.095 40.800 0.092 0.000 0.917 67 D HN 0.771 nan 8.370 nan 0.000 0.524 68 T N -4.233 110.429 114.554 0.180 0.000 2.816 68 T HA 0.217 4.550 4.350 -0.028 0.000 0.299 68 T C 0.485 175.237 174.700 0.085 0.000 1.230 68 T CA -0.824 61.396 62.100 0.201 0.000 1.007 68 T CB 0.850 69.793 68.868 0.125 0.000 1.289 68 T HN -0.154 nan 8.240 nan 0.000 0.508 69 F N 0.576 120.545 119.950 0.031 0.000 2.146 69 F HA 0.073 4.589 4.527 -0.019 0.000 0.298 69 F C 1.947 177.702 175.800 -0.075 0.000 1.096 69 F CA 1.108 59.040 58.000 -0.113 0.000 1.275 69 F CB -0.123 38.902 39.000 0.041 0.000 1.008 69 F HN 0.515 nan 8.300 nan 0.000 0.480 70 L N 1.042 122.268 121.223 0.005 0.000 1.989 70 L HA -0.253 4.070 4.340 -0.028 0.000 0.211 70 L C 2.332 179.108 176.870 -0.157 0.000 1.071 70 L CA 2.188 56.984 54.840 -0.074 0.000 0.749 70 L CB -1.220 40.846 42.059 0.012 0.000 0.890 70 L HN 0.292 nan 8.230 nan 0.000 0.431 71 E N -1.478 118.658 120.200 -0.107 0.000 2.049 71 E HA -0.381 3.952 4.350 -0.028 0.000 0.198 71 E C 2.228 178.712 176.600 -0.194 0.000 1.007 71 E CA 1.703 58.036 56.400 -0.112 0.000 0.809 71 E CB -0.254 29.411 29.700 -0.058 0.000 0.749 71 E HN 0.769 nan 8.360 nan 0.000 0.450 72 H N 0.160 118.982 119.070 -0.412 0.000 2.353 72 H HA -0.143 4.391 4.556 -0.037 0.000 0.298 72 H C 2.092 177.151 175.328 -0.448 0.000 1.103 72 H CA 2.026 57.756 56.048 -0.530 0.000 1.293 72 H CB -0.228 28.918 29.762 -1.026 0.000 1.372 72 H HN 0.138 nan 8.280 nan 0.000 0.501 73 L N -0.578 120.349 121.223 -0.493 0.000 1.994 73 L HA -0.221 4.102 4.340 -0.028 0.000 0.208 73 L C 2.721 179.395 176.870 -0.326 0.000 1.071 73 L CA 1.279 55.850 54.840 -0.448 0.000 0.745 73 L CB -0.629 41.198 42.059 -0.388 0.000 0.892 73 L HN 0.489 nan 8.230 nan 0.000 0.431 74 C N 0.000 119.154 119.300 -0.244 0.000 2.401 74 C HA -0.155 4.288 4.460 -0.028 0.000 0.286 74 C C 2.236 177.122 174.990 -0.174 0.000 1.332 74 C CA 0.598 59.514 59.018 -0.171 0.000 1.795 74 C CB -1.028 26.635 27.740 -0.127 0.000 1.922 74 C HN 0.414 nan 8.230 nan 0.000 0.520 75 L N -0.252 120.832 121.223 -0.232 0.000 2.741 75 L HA 0.265 4.588 4.340 -0.028 0.000 0.237 75 L C 0.295 177.036 176.870 -0.214 0.000 1.178 75 L CA -0.028 54.697 54.840 -0.193 0.000 0.973 75 L CB -0.333 41.628 42.059 -0.164 0.000 1.255 75 L HN 0.272 nan 8.230 nan 0.000 0.498 76 L N 1.349 122.421 121.223 -0.252 0.000 2.360 76 L HA 0.160 4.483 4.340 -0.028 0.000 0.276 76 L C -0.260 176.529 176.870 -0.135 0.000 1.121 76 L CA 0.226 54.932 54.840 -0.223 0.000 0.845 76 L CB 0.684 42.602 42.059 -0.236 0.000 1.143 76 L HN 0.033 nan 8.230 nan 0.000 0.452 77 D N 3.869 124.209 120.400 -0.100 0.000 2.471 77 D HA 0.164 4.787 4.640 -0.028 0.000 0.245 77 D C 0.946 177.217 176.300 -0.050 0.000 1.116 77 D CA -0.565 53.395 54.000 -0.068 0.000 0.853 77 D CB 1.407 42.173 40.800 -0.056 0.000 1.123 77 D HN 0.499 nan 8.370 nan 0.000 0.540 78 I N 0.360 120.904 120.570 -0.045 0.000 2.657 78 I HA -0.108 4.045 4.170 -0.028 0.000 0.261 78 I C 0.202 176.304 176.117 -0.025 0.000 1.212 78 I CA 1.176 62.455 61.300 -0.033 0.000 1.453 78 I CB 0.204 38.186 38.000 -0.031 0.000 1.092 78 I HN 0.066 nan 8.210 nan 0.000 0.452 79 D N 1.198 121.583 120.400 -0.024 0.000 2.340 79 D HA 0.061 4.683 4.640 -0.028 0.000 0.217 79 D C 0.744 177.036 176.300 -0.014 0.000 1.081 79 D CA 0.336 54.325 54.000 -0.017 0.000 0.842 79 D CB 0.446 41.236 40.800 -0.016 0.000 0.934 79 D HN 0.285 nan 8.370 nan 0.000 0.511 80 S N 1.720 117.410 115.700 -0.016 0.000 2.473 80 S HA 0.057 4.510 4.470 -0.028 0.000 0.312 80 S C 0.211 174.809 174.600 -0.004 0.000 1.087 80 S CA -0.618 57.576 58.200 -0.010 0.000 1.077 80 S CB 0.188 63.380 63.200 -0.013 0.000 1.065 80 S HN -0.116 nan 8.310 nan 0.000 0.510 81 E N 4.821 125.020 120.200 -0.001 0.000 2.414 81 E HA 0.207 4.540 4.350 -0.028 0.000 0.263 81 E C -2.203 174.402 176.600 0.009 0.000 1.000 81 E CA -2.068 54.333 56.400 0.002 0.000 0.914 81 E CB -0.089 29.613 29.700 0.004 0.000 0.948 81 E HN 0.461 nan 8.360 nan 0.000 0.444 82 P HA 0.059 nan 4.420 nan 0.000 0.270 82 P C -0.391 176.921 177.300 0.020 0.000 1.223 82 P CA -0.091 63.019 63.100 0.016 0.000 0.785 82 P CB 0.616 32.317 31.700 0.003 0.000 0.923 83 V N 1.300 121.231 119.914 0.028 0.000 3.138 83 V HA 0.594 4.697 4.120 -0.028 0.000 0.307 83 V C -0.971 175.144 176.094 0.034 0.000 0.985 83 V CA 0.158 62.475 62.300 0.029 0.000 1.291 83 V CB 0.248 32.084 31.823 0.022 0.000 0.933 83 V HN 0.801 nan 8.190 nan 0.000 0.504 84 A N 2.335 125.182 122.820 0.045 0.000 2.596 84 A HA 0.807 5.110 4.320 -0.028 0.000 0.305 84 A C -0.270 177.352 177.584 0.064 0.000 1.032 84 A CA 0.106 52.167 52.037 0.039 0.000 0.776 84 A CB 0.739 19.758 19.000 0.031 0.000 1.253 84 A HN 1.661 nan 8.150 nan 0.000 0.402 85 A N 1.882 124.725 122.820 0.038 0.000 2.531 85 A HA 0.521 4.824 4.320 -0.028 0.000 0.236 85 A C 0.799 178.515 177.584 0.220 0.000 1.062 85 A CA 0.696 52.790 52.037 0.095 0.000 0.760 85 A CB -0.084 18.746 19.000 -0.283 0.000 0.995 85 A HN 1.612 nan 8.150 nan 0.000 0.501 86 R N 1.302 121.980 120.500 0.297 0.000 2.490 86 R HA 0.411 4.734 4.340 -0.028 0.000 0.280 86 R C 0.602 177.102 176.300 0.333 0.000 1.077 86 R CA 0.249 56.495 56.100 0.243 0.000 1.065 86 R CB 0.567 30.956 30.300 0.148 0.000 1.003 86 R HN 0.614 nan 8.270 nan 0.000 0.470 87 S N 0.675 116.493 115.700 0.195 0.000 2.527 87 S HA 0.004 4.457 4.470 -0.028 0.000 0.227 87 S C 0.326 174.920 174.600 -0.010 0.000 1.059 87 S CA -0.232 58.009 58.200 0.068 0.000 0.919 87 S CB -0.018 63.220 63.200 0.064 0.000 0.805 87 S HN 0.651 nan 8.310 nan 0.000 0.500 88 T N 4.067 118.643 114.554 0.037 0.000 2.792 88 T HA 0.257 4.590 4.350 -0.028 0.000 0.286 88 T C 0.018 174.738 174.700 0.034 0.000 0.970 88 T CA 0.170 62.288 62.100 0.028 0.000 1.187 88 T CB 0.186 69.076 68.868 0.036 0.000 0.915 88 T HN 0.326 nan 8.240 nan 0.000 0.529 89 S N 3.241 118.949 115.700 0.014 0.000 2.610 89 S HA 0.524 4.977 4.470 -0.028 0.000 0.273 89 S C 0.237 174.845 174.600 0.012 0.000 1.274 89 S CA -0.793 57.409 58.200 0.002 0.000 1.023 89 S CB 0.760 63.959 63.200 -0.000 0.000 0.962 89 S HN 0.537 nan 8.310 nan 0.000 0.523 90 I N 1.958 122.526 120.570 -0.002 0.000 2.433 90 I HA 0.426 4.579 4.170 -0.028 0.000 0.292 90 I C -0.808 175.319 176.117 0.016 0.000 1.001 90 I CA -0.416 60.894 61.300 0.017 0.000 1.119 90 I CB 1.303 39.317 38.000 0.025 0.000 1.289 90 I HN 0.446 nan 8.210 nan 0.000 0.438 91 I N 5.886 126.482 120.570 0.043 0.000 2.362 91 I HA 0.570 4.723 4.170 -0.028 0.000 0.289 91 I C -0.000 176.161 176.117 0.073 0.000 0.994 91 I CA -0.378 60.970 61.300 0.080 0.000 1.158 91 I CB 1.593 39.670 38.000 0.129 0.000 1.315 91 I HN 0.567 nan 8.210 nan 0.000 0.451 92 A N 4.413 127.276 122.820 0.072 0.000 2.342 92 A HA 0.735 5.038 4.320 -0.028 0.000 0.323 92 A C -0.186 177.452 177.584 0.089 0.000 1.125 92 A CA -0.499 51.579 52.037 0.069 0.000 0.785 92 A CB 1.031 20.061 19.000 0.051 0.000 1.221 92 A HN 0.616 nan 8.150 nan 0.000 0.463 93 T N 3.571 118.181 114.554 0.093 0.000 2.780 93 T HA 0.376 4.709 4.350 -0.028 0.000 0.294 93 T C 0.275 175.036 174.700 0.102 0.000 0.949 93 T CA -0.138 62.029 62.100 0.112 0.000 1.074 93 T CB 0.203 69.140 68.868 0.115 0.000 0.910 93 T HN 0.384 nan 8.240 nan 0.000 0.501 94 I N 3.339 123.978 120.570 0.115 0.000 2.441 94 I HA 0.570 4.723 4.170 -0.028 0.000 0.287 94 I C 0.984 177.182 176.117 0.135 0.000 1.049 94 I CA 0.079 61.442 61.300 0.105 0.000 1.381 94 I CB 0.426 38.483 38.000 0.095 0.000 1.409 94 I HN 0.842 nan 8.210 nan 0.000 0.523 95 G N 6.528 115.393 108.800 0.109 0.000 2.706 95 G HA2 0.482 4.425 3.960 -0.028 0.000 0.307 95 G HA3 0.482 4.425 3.960 -0.028 0.000 0.307 95 G C -2.568 172.392 174.900 0.101 0.000 1.307 95 G CA -0.436 44.743 45.100 0.132 0.000 0.790 95 G HN 0.260 nan 8.290 nan 0.000 0.503 96 P HA -0.103 nan 4.420 nan 0.000 0.216 96 P C 1.898 179.216 177.300 0.029 0.000 1.154 96 P CA 2.498 65.635 63.100 0.062 0.000 0.865 96 P CB 0.110 31.829 31.700 0.031 0.000 0.789 97 A N -0.883 121.949 122.820 0.020 0.000 2.209 97 A HA 0.029 4.332 4.320 -0.028 0.000 0.212 97 A C 1.382 178.972 177.584 0.010 0.000 1.158 97 A CA 1.384 53.423 52.037 0.003 0.000 0.742 97 A CB -0.768 18.229 19.000 -0.005 0.000 0.790 97 A HN 0.318 nan 8.150 nan 0.000 0.472 98 S N -2.405 113.309 115.700 0.023 0.000 2.825 98 S HA 0.432 4.885 4.470 -0.028 0.000 0.242 98 S C 0.411 175.023 174.600 0.020 0.000 0.980 98 S CA -0.427 57.788 58.200 0.025 0.000 1.107 98 S CB 0.086 63.308 63.200 0.036 0.000 1.172 98 S HN 0.439 nan 8.310 nan 0.000 0.483 99 R N 1.277 121.782 120.500 0.008 0.000 2.342 99 R HA 0.253 4.576 4.340 -0.028 0.000 0.204 99 R C 0.661 176.952 176.300 -0.016 0.000 0.882 99 R CA 0.725 56.817 56.100 -0.014 0.000 1.041 99 R CB 0.471 30.750 30.300 -0.036 0.000 1.188 99 R HN 0.532 nan 8.270 nan 0.000 0.598 100 S N 0.315 116.011 115.700 -0.007 0.000 2.537 100 S HA -0.000 4.453 4.470 -0.028 0.000 0.286 100 S C 1.610 176.211 174.600 0.001 0.000 1.299 100 S CA -0.501 57.695 58.200 -0.007 0.000 1.067 100 S CB 1.350 64.547 63.200 -0.005 0.000 0.864 100 S HN 0.016 nan 8.310 nan 0.000 0.494 101 V N 3.658 123.571 119.914 -0.001 0.000 2.252 101 V HA -0.222 3.881 4.120 -0.028 0.000 0.255 101 V C 2.772 178.872 176.094 0.011 0.000 1.071 101 V CA 2.463 64.767 62.300 0.006 0.000 1.050 101 V CB -0.949 30.873 31.823 -0.001 0.000 0.654 101 V HN 0.869 nan 8.190 nan 0.000 0.448 102 E N -0.359 119.842 120.200 0.002 0.000 2.051 102 E HA -0.225 4.108 4.350 -0.028 0.000 0.192 102 E C 2.288 178.898 176.600 0.017 0.000 0.991 102 E CA 1.408 57.810 56.400 0.003 0.000 0.799 102 E CB -0.415 29.282 29.700 -0.005 0.000 0.748 102 E HN 0.531 nan 8.360 nan 0.000 0.449 103 R N 0.356 120.865 120.500 0.014 0.000 2.096 103 R HA -0.153 4.170 4.340 -0.028 0.000 0.240 103 R C 2.256 178.576 176.300 0.035 0.000 1.139 103 R CA 1.017 57.130 56.100 0.021 0.000 0.952 103 R CB -0.362 29.946 30.300 0.013 0.000 0.854 103 R HN 0.083 nan 8.270 nan 0.000 0.436 104 L N 1.065 122.310 121.223 0.037 0.000 2.083 104 L HA -0.151 4.172 4.340 -0.028 0.000 0.209 104 L C 1.915 178.837 176.870 0.086 0.000 1.083 104 L CA 1.810 56.681 54.840 0.052 0.000 0.752 104 L CB -0.864 41.224 42.059 0.049 0.000 0.899 104 L HN 0.228 nan 8.230 nan 0.000 0.433 105 K N -0.410 120.054 120.400 0.107 0.000 2.032 105 K HA -0.214 4.089 4.320 -0.028 0.000 0.209 105 K C 1.937 178.646 176.600 0.181 0.000 1.048 105 K CA 1.579 57.989 56.287 0.205 0.000 0.927 105 K CB -0.167 32.397 32.500 0.107 0.000 0.712 105 K HN 0.377 nan 8.250 nan 0.000 0.441 106 E N 0.442 120.702 120.200 0.100 0.000 2.118 106 E HA -0.178 4.155 4.350 -0.028 0.000 0.195 106 E C 2.029 178.658 176.600 0.049 0.000 0.992 106 E CA 1.250 57.694 56.400 0.072 0.000 0.804 106 E CB -0.022 29.708 29.700 0.050 0.000 0.741 106 E HN 0.300 nan 8.360 nan 0.000 0.458 107 M N 0.031 119.657 119.600 0.043 0.000 2.254 107 M HA -0.092 4.370 4.480 -0.028 0.000 0.265 107 M C 2.153 178.444 176.300 -0.015 0.000 1.066 107 M CA 0.959 56.270 55.300 0.018 0.000 1.123 107 M CB -0.006 32.608 32.600 0.024 0.000 1.388 107 M HN 0.123 nan 8.290 nan 0.000 0.425 108 I N 0.380 120.941 120.570 -0.014 0.000 2.163 108 I HA -0.334 3.819 4.170 -0.028 0.000 0.243 108 I C 2.125 178.157 176.117 -0.142 0.000 1.085 108 I CA 1.540 62.779 61.300 -0.102 0.000 1.347 108 I CB -0.520 37.392 38.000 -0.145 0.000 1.044 108 I HN 0.282 nan 8.210 nan 0.000 0.408 109 K N 1.249 121.607 120.400 -0.069 0.000 2.097 109 K HA -0.100 4.203 4.320 -0.028 0.000 0.206 109 K C 2.132 178.670 176.600 -0.103 0.000 1.049 109 K CA 1.497 57.738 56.287 -0.076 0.000 0.933 109 K CB -0.348 32.160 32.500 0.013 0.000 0.717 109 K HN 0.298 nan 8.250 nan 0.000 0.442 110 A N 0.605 123.380 122.820 -0.074 0.000 2.172 110 A HA 0.075 4.378 4.320 -0.028 0.000 0.216 110 A C 1.521 179.001 177.584 -0.172 0.000 1.154 110 A CA 1.215 53.192 52.037 -0.100 0.000 0.701 110 A CB -0.436 18.547 19.000 -0.029 0.000 0.789 110 A HN 0.491 nan 8.150 nan 0.000 0.465 111 G N -2.069 106.638 108.800 -0.155 0.000 2.159 111 G HA2 -0.180 3.763 3.960 -0.028 0.000 0.170 111 G HA3 -0.180 3.763 3.960 -0.028 0.000 0.170 111 G C 0.186 175.032 174.900 -0.090 0.000 1.007 111 G CA 0.009 45.017 45.100 -0.153 0.000 0.672 111 G HN 0.590 nan 8.290 nan 0.000 0.507 112 M N 0.909 120.463 119.600 -0.077 0.000 2.290 112 M HA 0.191 4.654 4.480 -0.028 0.000 0.356 112 M C 1.117 177.336 176.300 -0.134 0.000 1.448 112 M CA 1.248 56.506 55.300 -0.069 0.000 0.993 112 M CB -0.010 32.565 32.600 -0.042 0.000 1.934 112 M HN 0.310 nan 8.290 nan 0.000 0.461 113 N N 4.413 123.016 118.700 -0.161 0.000 2.454 113 N HA 0.314 5.037 4.740 -0.028 0.000 0.177 113 N C -0.576 174.811 175.510 -0.205 0.000 1.049 113 N CA 0.214 53.063 53.050 -0.335 0.000 0.887 113 N CB 0.620 38.817 38.487 -0.482 0.000 1.095 113 N HN 0.534 nan 8.380 nan 0.000 0.446 114 I N 0.811 121.341 120.570 -0.066 0.000 2.512 114 I HA 0.394 4.547 4.170 -0.028 0.000 0.287 114 I C -1.112 175.031 176.117 0.043 0.000 1.069 114 I CA -0.928 60.382 61.300 0.016 0.000 1.056 114 I CB 1.985 40.035 38.000 0.082 0.000 1.229 114 I HN -0.062 nan 8.210 nan 0.000 0.429 115 A N 6.769 129.612 122.820 0.038 0.000 2.320 115 A HA 0.530 4.833 4.320 -0.028 0.000 0.287 115 A C -0.091 177.536 177.584 0.071 0.000 1.181 115 A CA -0.379 51.692 52.037 0.056 0.000 0.831 115 A CB 0.461 19.488 19.000 0.045 0.000 1.102 115 A HN 0.802 nan 8.150 nan 0.000 0.513 116 R N 3.380 123.951 120.500 0.118 0.000 2.229 116 R HA 0.531 4.854 4.340 -0.028 0.000 0.328 116 R C -1.302 175.081 176.300 0.139 0.000 1.009 116 R CA -0.421 55.773 56.100 0.156 0.000 0.864 116 R CB 0.432 30.887 30.300 0.258 0.000 1.085 116 R HN 0.737 nan 8.270 nan 0.000 0.453 117 L N 4.068 125.357 121.223 0.111 0.000 2.275 117 L HA 0.311 4.634 4.340 -0.028 0.000 0.288 117 L C -0.162 176.797 176.870 0.148 0.000 1.046 117 L CA -0.817 54.084 54.840 0.102 0.000 0.805 117 L CB 1.348 43.427 42.059 0.033 0.000 1.193 117 L HN 0.595 nan 8.230 nan 0.000 0.426 118 N N 2.399 121.219 118.700 0.200 0.000 2.546 118 N HA 0.208 4.931 4.740 -0.028 0.000 0.238 118 N C 0.088 175.754 175.510 0.261 0.000 0.984 118 N CA -0.324 52.878 53.050 0.253 0.000 0.935 118 N CB 0.498 39.146 38.487 0.268 0.000 1.122 118 N HN 0.319 nan 8.380 nan 0.000 0.510 119 F N 1.339 121.294 119.950 0.010 0.000 2.816 119 F HA 0.093 4.602 4.527 -0.029 0.000 0.302 119 F C 2.177 178.009 175.800 0.054 0.000 1.178 119 F CA 0.218 58.255 58.000 0.062 0.000 1.421 119 F CB -0.130 38.849 39.000 -0.034 0.000 1.114 119 F HN 0.478 nan 8.300 nan 0.000 0.573 120 S N -1.283 114.476 115.700 0.097 0.000 2.515 120 S HA -0.033 4.420 4.470 -0.028 0.000 0.231 120 S C 0.304 174.569 174.600 -0.558 0.000 0.987 120 S CA 0.570 58.651 58.200 -0.199 0.000 0.936 120 S CB -0.341 62.706 63.200 -0.254 0.000 0.766 120 S HN 0.283 nan 8.310 nan 0.000 0.528 121 H N -1.442 117.660 119.070 0.054 0.000 3.037 121 H HA 0.492 5.031 4.556 -0.029 0.000 0.355 121 H C 0.304 175.498 175.328 -0.223 0.000 1.263 121 H CA -0.184 55.819 56.048 -0.075 0.000 1.129 121 H CB 1.117 30.828 29.762 -0.084 0.000 1.861 121 H HN 0.276 nan 8.280 nan 0.000 0.546 122 G N 0.897 109.509 108.800 -0.314 0.000 2.758 122 G HA2 -0.117 3.826 3.960 -0.028 0.000 0.686 122 G HA3 -0.117 3.826 3.960 -0.028 0.000 0.686 122 G C -0.162 174.468 174.900 -0.450 0.000 1.389 122 G CA -0.143 44.521 45.100 -0.726 0.000 0.845 122 G HN 0.937 nan 8.290 nan 0.000 0.572 123 S N -0.793 114.693 115.700 -0.356 0.000 2.722 123 S HA 0.640 5.093 4.470 -0.028 0.000 0.292 123 S C 1.177 175.730 174.600 -0.079 0.000 1.135 123 S CA 0.354 58.463 58.200 -0.152 0.000 1.003 123 S CB 1.601 64.762 63.200 -0.066 0.000 1.067 123 S HN 0.848 nan 8.310 nan 0.000 0.546 124 H N 1.101 120.080 119.070 -0.151 0.000 2.321 124 H HA -0.075 4.464 4.556 -0.029 0.000 0.295 124 H C 1.828 177.164 175.328 0.013 0.000 1.102 124 H CA 2.558 58.504 56.048 -0.170 0.000 1.266 124 H CB -0.469 29.338 29.762 0.074 0.000 1.363 124 H HN 0.768 nan 8.280 nan 0.000 0.492 125 E N -0.610 119.712 120.200 0.202 0.000 2.072 125 E HA -0.155 4.178 4.350 -0.028 0.000 0.191 125 E C 2.119 178.764 176.600 0.076 0.000 0.985 125 E CA 0.995 57.493 56.400 0.163 0.000 0.801 125 E CB -0.553 29.225 29.700 0.129 0.000 0.750 125 E HN 0.578 nan 8.360 nan 0.000 0.452 126 Y N 0.796 121.025 120.300 -0.119 0.000 2.165 126 Y HA -0.287 4.245 4.550 -0.029 0.000 0.286 126 Y C 2.051 177.814 175.900 -0.227 0.000 1.155 126 Y CA 1.906 59.880 58.100 -0.210 0.000 1.164 126 Y CB -0.067 38.186 38.460 -0.346 0.000 0.978 126 Y HN 0.185 nan 8.280 nan 0.000 0.513 127 H N -0.606 118.386 119.070 -0.129 0.000 2.495 127 H HA 0.117 4.656 4.556 -0.028 0.000 0.287 127 H C 2.214 177.498 175.328 -0.073 0.000 1.033 127 H CA 0.864 56.785 56.048 -0.212 0.000 1.307 127 H CB -0.348 29.180 29.762 -0.389 0.000 1.401 127 H HN 0.541 nan 8.280 nan 0.000 0.555 128 A N 0.921 123.812 122.820 0.119 0.000 1.930 128 A HA -0.094 4.209 4.320 -0.028 0.000 0.215 128 A C 2.270 179.870 177.584 0.027 0.000 1.176 128 A CA 0.935 53.030 52.037 0.098 0.000 0.632 128 A CB -0.083 18.991 19.000 0.123 0.000 0.819 128 A HN 0.351 nan 8.150 nan 0.000 0.445 129 E N 0.071 120.251 120.200 -0.034 0.000 2.038 129 E HA -0.147 4.186 4.350 -0.028 0.000 0.195 129 E C 2.283 178.826 176.600 -0.094 0.000 1.000 129 E CA 1.488 57.843 56.400 -0.075 0.000 0.803 129 E CB -0.230 29.389 29.700 -0.135 0.000 0.750 129 E HN 0.519 nan 8.360 nan 0.000 0.448 130 S N 0.641 116.238 115.700 -0.172 0.000 2.378 130 S HA -0.237 4.216 4.470 -0.028 0.000 0.229 130 S C 2.027 176.622 174.600 -0.007 0.000 1.052 130 S CA 1.355 59.491 58.200 -0.106 0.000 1.084 130 S CB -0.337 62.821 63.200 -0.069 0.000 0.950 130 S HN 0.189 nan 8.310 nan 0.000 0.440 131 I N 1.259 121.849 120.570 0.033 0.000 2.226 131 I HA -0.209 3.944 4.170 -0.028 0.000 0.245 131 I C 2.574 178.720 176.117 0.048 0.000 1.100 131 I CA 1.101 62.436 61.300 0.059 0.000 1.374 131 I CB -0.412 37.638 38.000 0.082 0.000 1.057 131 I HN 0.283 nan 8.210 nan 0.000 0.413 132 A N 0.560 123.403 122.820 0.038 0.000 1.902 132 A HA -0.243 4.060 4.320 -0.028 0.000 0.217 132 A C 2.048 179.650 177.584 0.029 0.000 1.181 132 A CA 2.182 54.242 52.037 0.039 0.000 0.623 132 A CB -0.986 18.035 19.000 0.035 0.000 0.818 132 A HN 0.519 nan 8.150 nan 0.000 0.443 133 N N -0.392 118.315 118.700 0.013 0.000 2.171 133 N HA -0.081 4.642 4.740 -0.028 0.000 0.184 133 N C 1.631 177.159 175.510 0.029 0.000 1.021 133 N CA 1.102 54.160 53.050 0.012 0.000 0.854 133 N CB -0.177 38.305 38.487 -0.008 0.000 0.994 133 N HN 0.244 nan 8.380 nan 0.000 0.426 134 V N 1.826 121.760 119.914 0.033 0.000 2.252 134 V HA -0.282 3.820 4.120 -0.028 0.000 0.249 134 V C 2.228 178.358 176.094 0.059 0.000 1.056 134 V CA 1.742 64.069 62.300 0.045 0.000 1.022 134 V CB -0.510 31.339 31.823 0.043 0.000 0.641 134 V HN 0.293 nan 8.190 nan 0.000 0.445 135 R N -0.517 120.020 120.500 0.061 0.000 2.105 135 R HA -0.221 4.101 4.340 -0.028 0.000 0.239 135 R C 2.388 178.738 176.300 0.084 0.000 1.135 135 R CA 1.850 57.995 56.100 0.076 0.000 0.967 135 R CB -0.318 30.026 30.300 0.073 0.000 0.861 135 R HN 0.679 nan 8.270 nan 0.000 0.442 136 E N 0.583 120.822 120.200 0.064 0.000 2.028 136 E HA -0.187 4.146 4.350 -0.028 0.000 0.191 136 E C 2.016 178.656 176.600 0.067 0.000 0.988 136 E CA 1.146 57.580 56.400 0.056 0.000 0.799 136 E CB -0.075 29.644 29.700 0.032 0.000 0.755 136 E HN 0.339 nan 8.360 nan 0.000 0.447 137 A N 0.594 123.457 122.820 0.073 0.000 1.917 137 A HA -0.199 4.104 4.320 -0.028 0.000 0.219 137 A C 2.416 180.143 177.584 0.239 0.000 1.182 137 A CA 1.845 53.948 52.037 0.110 0.000 0.633 137 A CB -0.843 18.226 19.000 0.116 0.000 0.819 137 A HN 0.255 nan 8.150 nan 0.000 0.448 138 V N 0.191 120.221 119.914 0.194 0.000 2.358 138 V HA -0.157 3.946 4.120 -0.028 0.000 0.246 138 V C 2.152 178.416 176.094 0.283 0.000 1.047 138 V CA 1.933 64.347 62.300 0.191 0.000 1.035 138 V CB -0.705 31.150 31.823 0.055 0.000 0.658 138 V HN 0.501 nan 8.190 nan 0.000 0.452 139 E N 0.649 120.989 120.200 0.233 0.000 2.511 139 E HA -0.054 4.279 4.350 -0.028 0.000 0.196 139 E C 2.285 179.002 176.600 0.196 0.000 1.066 139 E CA 0.992 57.550 56.400 0.264 0.000 0.871 139 E CB -0.297 29.506 29.700 0.173 0.000 0.863 139 E HN 0.780 nan 8.360 nan 0.000 0.520 140 S N -0.397 115.370 115.700 0.111 0.000 2.489 140 S HA -0.044 4.409 4.470 -0.028 0.000 0.228 140 S C 1.122 175.589 174.600 -0.222 0.000 0.995 140 S CA 0.129 58.256 58.200 -0.121 0.000 0.934 140 S CB -0.374 62.640 63.200 -0.309 0.000 0.771 140 S HN 0.131 nan 8.310 nan 0.000 0.522 141 F N 1.300 121.304 119.950 0.090 0.000 2.668 141 F HA 0.656 5.166 4.527 -0.028 0.000 0.297 141 F C 1.778 177.728 175.800 0.251 0.000 1.124 141 F CA -0.669 57.401 58.000 0.116 0.000 1.353 141 F CB -0.400 38.637 39.000 0.062 0.000 0.992 141 F HN 0.267 nan 8.300 nan 0.000 0.524 142 A N 0.345 123.423 122.820 0.430 0.000 2.208 142 A HA 0.243 4.546 4.320 -0.028 0.000 0.209 142 A C 2.517 180.198 177.584 0.161 0.000 1.161 142 A CA 0.860 53.100 52.037 0.339 0.000 0.782 142 A CB -1.153 17.959 19.000 0.186 0.000 0.816 142 A HN 0.460 nan 8.150 nan 0.000 0.477 143 G N -0.368 108.524 108.800 0.153 0.000 2.656 143 G HA2 -0.188 3.755 3.960 -0.028 0.000 0.223 143 G HA3 -0.188 3.755 3.960 -0.028 0.000 0.223 143 G C 0.763 175.721 174.900 0.097 0.000 1.130 143 G CA 1.370 46.527 45.100 0.096 0.000 0.758 143 G HN 0.570 nan 8.290 nan 0.000 0.608 144 S N -0.171 115.617 115.700 0.147 0.000 2.571 144 S HA 0.493 4.946 4.470 -0.028 0.000 0.238 144 S C -1.959 172.736 174.600 0.158 0.000 1.153 144 S CA -0.862 57.413 58.200 0.125 0.000 1.141 144 S CB 2.026 65.297 63.200 0.118 0.000 1.133 144 S HN -0.050 nan 8.310 nan 0.000 0.464 145 P HA -0.041 nan 4.420 nan 0.000 0.219 145 P C 1.107 178.544 177.300 0.229 0.000 1.146 145 P CA 0.833 64.033 63.100 0.167 0.000 0.808 145 P CB 0.108 31.908 31.700 0.166 0.000 0.779 146 L N -1.639 119.662 121.223 0.130 0.000 2.217 146 L HA -0.046 4.277 4.340 -0.028 0.000 0.211 146 L C 2.462 179.342 176.870 0.015 0.000 1.107 146 L CA 1.442 56.280 54.840 -0.004 0.000 0.783 146 L CB -0.767 41.257 42.059 -0.058 0.000 0.919 146 L HN 0.032 nan 8.230 nan 0.000 0.442 147 S N -1.471 114.277 115.700 0.080 0.000 2.499 147 S HA -0.023 4.430 4.470 -0.028 0.000 0.225 147 S C 0.767 175.431 174.600 0.106 0.000 1.050 147 S CA -0.511 57.725 58.200 0.059 0.000 0.928 147 S CB -0.087 63.146 63.200 0.056 0.000 0.803 147 S HN 0.304 nan 8.310 nan 0.000 0.506 148 Y N 3.724 124.054 120.300 0.051 0.000 2.954 148 Y HA -0.026 4.507 4.550 -0.028 0.000 0.351 148 Y C 0.028 175.945 175.900 0.029 0.000 1.282 148 Y CA 0.581 58.715 58.100 0.056 0.000 1.614 148 Y CB 0.165 38.691 38.460 0.109 0.000 1.183 148 Y HN 0.159 nan 8.280 nan 0.000 0.566 149 R N 8.295 128.503 120.500 -0.487 0.000 2.246 149 R HA 0.326 4.649 4.340 -0.028 0.000 0.332 149 R C -2.378 173.631 176.300 -0.486 0.000 0.974 149 R CA -1.924 53.972 56.100 -0.340 0.000 0.837 149 R CB 0.653 30.777 30.300 -0.293 0.000 1.145 149 R HN 0.483 nan 8.270 nan 0.000 0.467 150 P HA -0.003 nan 4.420 nan 0.000 0.268 150 P C -0.700 176.632 177.300 0.054 0.000 1.208 150 P CA -0.145 62.958 63.100 0.004 0.000 0.777 150 P CB 0.729 32.558 31.700 0.216 0.000 0.875 151 V N 1.237 121.176 119.914 0.042 0.000 2.524 151 V HA 0.489 4.592 4.120 -0.028 0.000 0.297 151 V C 0.334 176.474 176.094 0.077 0.000 1.035 151 V CA -1.051 61.265 62.300 0.028 0.000 0.867 151 V CB 1.387 33.192 31.823 -0.030 0.000 1.004 151 V HN 0.757 nan 8.190 nan 0.000 0.426 152 A N 5.973 128.862 122.820 0.114 0.000 2.466 152 A HA 0.670 4.973 4.320 -0.028 0.000 0.238 152 A C -0.265 177.338 177.584 0.032 0.000 1.074 152 A CA 0.135 52.222 52.037 0.083 0.000 0.774 152 A CB 0.133 19.191 19.000 0.096 0.000 1.015 152 A HN 0.770 nan 8.150 nan 0.000 0.498 153 I N 1.141 121.715 120.570 0.007 0.000 2.389 153 I HA 0.504 4.657 4.170 -0.028 0.000 0.288 153 I C 0.309 176.371 176.117 -0.092 0.000 0.999 153 I CA -0.199 61.092 61.300 -0.015 0.000 1.129 153 I CB 1.812 39.823 38.000 0.018 0.000 1.288 153 I HN 0.680 nan 8.210 nan 0.000 0.444 154 A N 7.404 130.131 122.820 -0.155 0.000 2.304 154 A HA 0.633 4.936 4.320 -0.028 0.000 0.314 154 A C -0.914 176.512 177.584 -0.264 0.000 1.187 154 A CA -0.498 51.312 52.037 -0.380 0.000 0.810 154 A CB 1.180 19.698 19.000 -0.802 0.000 1.183 154 A HN 0.769 nan 8.150 nan 0.000 0.487 155 L N 2.655 123.721 121.223 -0.262 0.000 2.290 155 L HA 0.382 4.705 4.340 -0.028 0.000 0.284 155 L C -0.633 176.131 176.870 -0.177 0.000 1.078 155 L CA -0.348 54.369 54.840 -0.206 0.000 0.815 155 L CB 0.768 42.640 42.059 -0.312 0.000 1.162 155 L HN 0.699 nan 8.230 nan 0.000 0.435 156 D N 3.829 124.228 120.400 -0.003 0.000 2.414 156 D HA 0.150 4.773 4.640 -0.028 0.000 0.232 156 D C -0.495 175.863 176.300 0.098 0.000 1.070 156 D CA -0.276 53.805 54.000 0.135 0.000 0.839 156 D CB 1.560 42.526 40.800 0.278 0.000 1.079 156 D HN 0.454 nan 8.370 nan 0.000 0.521 157 T N 3.088 117.673 114.554 0.052 0.000 2.940 157 T HA -0.013 4.319 4.350 -0.028 0.000 0.309 157 T C 1.377 176.148 174.700 0.118 0.000 1.056 157 T CA 0.081 62.205 62.100 0.040 0.000 1.137 157 T CB 1.271 70.157 68.868 0.030 0.000 0.976 157 T HN 0.421 nan 8.240 nan 0.000 0.547 158 K N 2.567 123.050 120.400 0.137 0.000 1.973 158 K HA 0.094 4.397 4.320 -0.028 0.000 0.210 158 K C 1.178 177.882 176.600 0.172 0.000 1.045 158 K CA 1.230 57.604 56.287 0.146 0.000 0.937 158 K CB -0.707 31.870 32.500 0.129 0.000 0.721 158 K HN 0.945 nan 8.250 nan 0.000 0.438 159 G N 0.047 108.929 108.800 0.136 0.000 2.750 159 G HA2 -0.196 3.747 3.960 -0.028 0.000 0.228 159 G HA3 -0.196 3.747 3.960 -0.028 0.000 0.228 159 G C -2.133 172.792 174.900 0.041 0.000 1.367 159 G CA -0.156 45.027 45.100 0.138 0.000 0.871 159 G HN 0.278 nan 8.290 nan 0.000 0.560 160 P HA 0.062 nan 4.420 nan 0.000 0.296 160 P C 0.521 177.562 177.300 -0.432 0.000 1.447 160 P CA 0.634 63.552 63.100 -0.303 0.000 0.750 160 P CB -0.394 31.042 31.700 -0.439 0.000 1.451 161 E N 0.410 120.486 120.200 -0.208 0.000 2.481 161 E HA 0.051 4.384 4.350 -0.028 0.000 0.263 161 E C 0.292 176.801 176.600 -0.152 0.000 0.992 161 E CA 0.346 56.671 56.400 -0.125 0.000 0.938 161 E CB 0.411 30.143 29.700 0.054 0.000 0.933 161 E HN 0.269 nan 8.360 nan 0.000 0.453 162 I N 3.495 123.981 120.570 -0.140 0.000 2.406 162 I HA 0.395 4.548 4.170 -0.028 0.000 0.290 162 I C 0.222 176.336 176.117 -0.006 0.000 0.999 162 I CA -0.563 60.681 61.300 -0.095 0.000 1.124 162 I CB 1.427 39.338 38.000 -0.147 0.000 1.289 162 I HN 0.242 nan 8.210 nan 0.000 0.441 163 R N 2.448 122.968 120.500 0.034 0.000 2.867 163 R HA 0.582 4.904 4.340 -0.028 0.000 0.268 163 R C -0.038 176.340 176.300 0.129 0.000 1.014 163 R CA -0.808 55.344 56.100 0.087 0.000 0.946 163 R CB 2.350 32.714 30.300 0.106 0.000 1.208 163 R HN 0.763 nan 8.270 nan 0.000 0.477 164 T N -1.587 113.060 114.554 0.155 0.000 2.889 164 T HA 0.446 4.779 4.350 -0.028 0.000 0.340 164 T C 0.763 175.670 174.700 0.346 0.000 1.145 164 T CA -0.067 62.159 62.100 0.210 0.000 0.986 164 T CB 0.667 69.626 68.868 0.152 0.000 1.461 164 T HN 0.603 nan 8.240 nan 0.000 0.541 165 G N -0.840 108.155 108.800 0.325 0.000 3.107 165 G HA2 0.633 4.576 3.960 -0.028 0.000 0.232 165 G HA3 0.633 4.576 3.960 -0.028 0.000 0.232 165 G C -0.836 174.103 174.900 0.065 0.000 1.339 165 G CA -1.140 44.071 45.100 0.185 0.000 1.033 165 G HN 0.721 nan 8.290 nan 0.000 0.567 176 E N 4.841 125.052 120.200 0.019 0.000 2.218 176 E HA 0.444 4.777 4.350 -0.028 0.000 0.263 176 E C -1.338 175.274 176.600 0.020 0.000 0.879 176 E CA -0.859 55.553 56.400 0.020 0.000 0.762 176 E CB 1.617 31.327 29.700 0.017 0.000 1.166 176 E HN 0.516 nan 8.360 nan 0.000 0.415 177 L N 5.165 126.402 121.223 0.022 0.000 2.485 177 L HA 0.119 4.442 4.340 -0.028 0.000 0.279 177 L C -0.247 176.634 176.870 0.017 0.000 1.124 177 L CA 0.117 54.969 54.840 0.020 0.000 0.888 177 L CB 0.499 42.572 42.059 0.023 0.000 1.217 177 L HN 0.420 nan 8.230 nan 0.000 0.464 178 V N 4.923 124.845 119.914 0.014 0.000 2.381 178 V HA 0.057 4.160 4.120 -0.028 0.000 0.257 178 V C 1.036 177.136 176.094 0.010 0.000 1.057 178 V CA -0.795 61.513 62.300 0.012 0.000 1.013 178 V CB 0.035 31.864 31.823 0.010 0.000 1.069 178 V HN 0.681 nan 8.190 nan 0.000 0.484 179 K N 4.029 124.435 120.400 0.011 0.000 2.476 179 K HA 0.070 4.373 4.320 -0.028 0.000 0.273 179 K C 1.313 177.917 176.600 0.006 0.000 1.056 179 K CA 1.316 57.608 56.287 0.009 0.000 1.150 179 K CB -0.383 32.124 32.500 0.012 0.000 0.838 179 K HN 1.088 nan 8.250 nan 0.000 0.486 180 G N 2.123 110.925 108.800 0.002 0.000 2.313 180 G HA2 -0.300 3.642 3.960 -0.028 0.000 0.215 180 G HA3 -0.300 3.642 3.960 -0.028 0.000 0.215 180 G C 0.018 174.918 174.900 -0.001 0.000 1.023 180 G CA 0.118 45.218 45.100 0.001 0.000 0.626 180 G HN 0.958 nan 8.290 nan 0.000 0.503 181 S N 0.390 116.091 115.700 0.001 0.000 2.584 181 S HA 0.552 5.005 4.470 -0.028 0.000 0.270 181 S C 0.111 174.710 174.600 -0.001 0.000 1.346 181 S CA 0.418 58.619 58.200 0.001 0.000 1.018 181 S CB 1.658 64.861 63.200 0.004 0.000 0.899 181 S HN 0.571 nan 8.310 nan 0.000 0.542 182 Q N 0.875 120.675 119.800 -0.001 0.000 2.307 182 Q HA 0.525 4.848 4.340 -0.028 0.000 0.259 182 Q C -1.388 174.612 176.000 -0.000 0.000 0.998 182 Q CA -0.090 55.711 55.803 -0.003 0.000 0.923 182 Q CB 0.854 29.590 28.738 -0.002 0.000 1.196 182 Q HN 0.616 nan 8.270 nan 0.000 0.416 183 V N 5.169 125.082 119.914 -0.002 0.000 2.525 183 V HA 0.336 4.439 4.120 -0.028 0.000 0.299 183 V C -0.965 175.128 176.094 -0.001 0.000 1.034 183 V CA -0.949 61.352 62.300 0.002 0.000 0.863 183 V CB 1.611 33.436 31.823 0.004 0.000 0.999 183 V HN 0.674 nan 8.190 nan 0.000 0.423 184 L N 6.748 127.974 121.223 0.005 0.000 2.375 184 L HA 0.729 5.052 4.340 -0.028 0.000 0.271 184 L C -0.386 176.485 176.870 0.001 0.000 1.107 184 L CA 0.272 55.112 54.840 0.001 0.000 0.806 184 L CB 1.717 43.779 42.059 0.006 0.000 1.146 184 L HN 0.456 nan 8.230 nan 0.000 0.447 185 V N 3.185 123.089 119.914 -0.017 0.000 2.409 185 V HA 0.639 4.742 4.120 -0.028 0.000 0.291 185 V C 0.232 176.296 176.094 -0.050 0.000 1.020 185 V CA -0.284 61.996 62.300 -0.033 0.000 0.848 185 V CB 1.060 32.853 31.823 -0.050 0.000 0.990 185 V HN 0.975 nan 8.190 nan 0.000 0.430 198 N N -0.253 118.462 118.700 0.024 0.000 2.067 198 N HA 0.193 4.916 4.740 -0.028 0.000 0.227 198 N C -0.647 174.879 175.510 0.026 0.000 1.348 198 N CA 0.730 53.793 53.050 0.021 0.000 0.879 198 N CB 1.326 39.823 38.487 0.016 0.000 1.109 198 N HN 0.262 nan 8.380 nan 0.000 0.501 199 T N 1.106 115.683 114.554 0.038 0.000 2.792 199 T HA 0.519 4.852 4.350 -0.028 0.000 0.280 199 T C -0.280 174.463 174.700 0.072 0.000 0.990 199 T CA -0.619 61.512 62.100 0.052 0.000 0.960 199 T CB 2.232 71.135 68.868 0.058 0.000 0.939 199 T HN -0.046 nan 8.240 nan 0.000 0.439 200 V N 1.190 121.150 119.914 0.076 0.000 2.443 200 V HA 0.670 4.773 4.120 -0.028 0.000 0.293 200 V C -0.953 175.219 176.094 0.131 0.000 1.021 200 V CA -1.315 61.047 62.300 0.102 0.000 0.848 200 V CB 1.138 33.001 31.823 0.066 0.000 0.998 200 V HN 0.958 nan 8.190 nan 0.000 0.424 201 W N 4.717 126.024 121.300 0.012 0.000 2.316 201 W HA 0.692 5.335 4.660 -0.029 0.000 0.311 201 W C -0.750 175.782 176.519 0.021 0.000 1.217 201 W CA -0.306 57.046 57.345 0.012 0.000 1.199 201 W CB 1.486 30.952 29.460 0.009 0.000 1.202 201 W HN 0.656 nan 8.180 nan 0.000 0.528 202 V N 7.373 126.800 119.914 -0.811 0.000 2.680 202 V HA 0.153 4.256 4.120 -0.028 0.000 0.309 202 V C 0.501 175.802 176.094 -1.323 0.000 1.052 202 V CA -0.495 61.388 62.300 -0.694 0.000 0.908 202 V CB 2.035 33.660 31.823 -0.330 0.000 1.001 202 V HN 0.690 nan 8.190 nan 0.000 0.431 203 D N 3.066 123.054 120.400 -0.686 0.000 2.349 203 D HA -0.093 4.530 4.640 -0.028 0.000 0.224 203 D C 0.043 176.258 176.300 -0.142 0.000 1.029 203 D CA 0.264 54.028 54.000 -0.395 0.000 0.879 203 D CB -0.031 40.825 40.800 0.092 0.000 0.906 203 D HN 0.363 nan 8.370 nan 0.000 0.528 204 Y N 1.337 121.447 120.300 -0.317 0.000 2.593 204 Y HA 0.356 4.889 4.550 -0.028 0.000 0.331 204 Y C -1.938 173.827 175.900 -0.225 0.000 0.986 204 Y CA -3.023 54.950 58.100 -0.211 0.000 1.262 204 Y CB 1.671 40.030 38.460 -0.168 0.000 1.098 204 Y HN -0.227 nan 8.280 nan 0.000 0.506 205 P HA -0.141 nan 4.420 nan 0.000 0.217 205 P C 1.002 178.007 177.300 -0.490 0.000 1.150 205 P CA 1.366 64.254 63.100 -0.353 0.000 0.832 205 P CB 0.478 32.047 31.700 -0.220 0.000 0.787 206 N N -0.671 117.529 118.700 -0.833 0.000 2.609 206 N HA -0.049 4.674 4.740 -0.028 0.000 0.190 206 N C 1.482 176.518 175.510 -0.791 0.000 1.157 206 N CA 0.190 52.740 53.050 -0.833 0.000 0.918 206 N CB -0.926 37.074 38.487 -0.811 0.000 0.978 206 N HN 0.179 nan 8.380 nan 0.000 0.448 207 I N 0.313 120.462 120.570 -0.701 0.000 2.264 207 I HA -0.227 3.926 4.170 -0.028 0.000 0.248 207 I C 1.126 177.170 176.117 -0.122 0.000 1.111 207 I CA 1.109 62.310 61.300 -0.165 0.000 1.382 207 I CB 0.212 38.176 38.000 -0.061 0.000 1.060 207 I HN -0.021 nan 8.210 nan 0.000 0.418 208 V N -2.041 117.772 119.914 -0.169 0.000 3.499 208 V HA 0.127 4.230 4.120 -0.028 0.000 0.308 208 V C 1.763 177.795 176.094 -0.104 0.000 1.319 208 V CA 0.344 62.575 62.300 -0.113 0.000 1.194 208 V CB -0.570 31.190 31.823 -0.106 0.000 1.072 208 V HN 0.364 nan 8.190 nan 0.000 0.426 209 R N -0.119 120.308 120.500 -0.121 0.000 2.373 209 R HA 0.306 4.629 4.340 -0.028 0.000 0.221 209 R C 0.851 177.124 176.300 -0.044 0.000 0.893 209 R CA 0.705 56.753 56.100 -0.087 0.000 1.049 209 R CB 1.080 31.313 30.300 -0.111 0.000 1.119 209 R HN 0.511 nan 8.270 nan 0.000 0.535 210 V N 0.215 120.115 119.914 -0.024 0.000 3.398 210 V HA 0.236 4.339 4.120 -0.028 0.000 0.298 210 V C -0.092 176.010 176.094 0.014 0.000 1.496 210 V CA -0.169 62.142 62.300 0.019 0.000 1.044 210 V CB 1.632 33.506 31.823 0.085 0.000 0.880 210 V HN -0.140 nan 8.190 nan 0.000 0.443 211 V N 4.455 124.367 119.914 -0.004 0.000 2.311 211 V HA 0.423 4.526 4.120 -0.028 0.000 0.275 211 V C -1.730 174.352 176.094 -0.021 0.000 1.022 211 V CA -1.319 60.973 62.300 -0.012 0.000 0.830 211 V CB 0.920 32.732 31.823 -0.019 0.000 1.012 211 V HN 0.326 nan 8.190 nan 0.000 0.452 212 P HA 0.355 nan 4.420 nan 0.000 0.277 212 P C -0.344 176.943 177.300 -0.023 0.000 1.271 212 P CA -0.413 62.675 63.100 -0.020 0.000 0.795 212 P CB 0.920 32.611 31.700 -0.016 0.000 1.101 213 V N -0.189 119.712 119.914 -0.021 0.000 2.585 213 V HA 0.355 4.458 4.120 -0.028 0.000 0.296 213 V C 1.469 177.550 176.094 -0.022 0.000 1.035 213 V CA 1.051 63.338 62.300 -0.022 0.000 1.084 213 V CB -0.527 31.285 31.823 -0.019 0.000 0.953 213 V HN 1.075 nan 8.190 nan 0.000 0.483 214 G N 3.213 111.998 108.800 -0.025 0.000 2.248 214 G HA2 -0.019 3.924 3.960 -0.028 0.000 0.263 214 G HA3 -0.019 3.924 3.960 -0.028 0.000 0.263 214 G C 0.204 175.086 174.900 -0.031 0.000 1.082 214 G CA -0.179 44.906 45.100 -0.026 0.000 0.863 214 G HN 1.431 nan 8.290 nan 0.000 0.495 215 G N -1.054 107.722 108.800 -0.040 0.000 2.481 215 G HA2 0.731 4.674 3.960 -0.028 0.000 0.315 215 G HA3 0.731 4.674 3.960 -0.028 0.000 0.315 215 G C -0.429 174.424 174.900 -0.079 0.000 1.231 215 G CA -0.904 44.168 45.100 -0.047 0.000 0.968 215 G HN 0.412 nan 8.290 nan 0.000 0.482 216 R N 0.073 120.512 120.500 -0.102 0.000 2.532 216 R HA 0.651 4.974 4.340 -0.028 0.000 0.295 216 R C -0.931 175.233 176.300 -0.227 0.000 0.968 216 R CA -0.628 55.343 56.100 -0.214 0.000 0.916 216 R CB 1.406 31.539 30.300 -0.278 0.000 1.124 216 R HN 0.438 nan 8.270 nan 0.000 0.463 217 I N 3.551 123.938 120.570 -0.305 0.000 2.500 217 I HA 0.259 4.412 4.170 -0.028 0.000 0.286 217 I C -1.248 174.737 176.117 -0.220 0.000 1.063 217 I CA -0.670 60.517 61.300 -0.188 0.000 1.062 217 I CB 1.594 39.543 38.000 -0.086 0.000 1.223 217 I HN 0.513 nan 8.210 nan 0.000 0.435 218 Y N 6.535 126.843 120.300 0.012 0.000 2.328 218 Y HA 0.668 5.201 4.550 -0.028 0.000 0.337 218 Y C -0.120 175.795 175.900 0.024 0.000 1.008 218 Y CA -0.692 57.420 58.100 0.020 0.000 1.129 218 Y CB 1.388 39.863 38.460 0.025 0.000 1.185 218 Y HN 0.361 nan 8.280 nan 0.000 0.476 219 I N 2.675 123.356 120.570 0.186 0.000 2.545 219 I HA 0.294 4.447 4.170 -0.028 0.000 0.292 219 I C -0.988 175.197 176.117 0.113 0.000 1.040 219 I CA -0.954 60.419 61.300 0.121 0.000 1.068 219 I CB 1.901 39.950 38.000 0.082 0.000 1.251 219 I HN 0.590 nan 8.210 nan 0.000 0.424 220 D N 4.811 125.270 120.400 0.099 0.000 4.478 220 D HA -0.250 4.373 4.640 -0.028 0.000 0.238 220 D C 0.232 176.579 176.300 0.079 0.000 1.056 220 D CA 0.907 54.958 54.000 0.086 0.000 1.245 220 D CB -0.414 40.431 40.800 0.075 0.000 0.794 220 D HN 0.834 nan 8.370 nan 0.000 0.394 221 D N 2.719 123.162 120.400 0.071 0.000 2.702 221 D HA -0.169 4.454 4.640 -0.028 0.000 0.233 221 D C 1.363 177.680 176.300 0.028 0.000 1.164 221 D CA 3.114 57.142 54.000 0.047 0.000 0.638 221 D CB -1.112 39.712 40.800 0.040 0.000 1.041 221 D HN 1.431 nan 8.370 nan 0.000 0.422 222 G N -1.825 107.001 108.800 0.042 0.000 2.196 222 G HA2 -0.398 3.545 3.960 -0.028 0.000 0.268 222 G HA3 -0.398 3.545 3.960 -0.028 0.000 0.268 222 G C 1.160 176.110 174.900 0.082 0.000 0.975 222 G CA 0.753 45.851 45.100 -0.003 0.000 0.648 222 G HN 0.539 nan 8.290 nan 0.000 0.538 223 L N -0.054 121.223 121.223 0.090 0.000 2.023 223 L HA 0.173 4.496 4.340 -0.028 0.000 0.205 223 L C 1.499 178.447 176.870 0.129 0.000 1.073 223 L CA 0.606 55.501 54.840 0.091 0.000 0.745 223 L CB -0.422 41.675 42.059 0.064 0.000 0.900 223 L HN 0.135 nan 8.230 nan 0.000 0.435 224 I N 0.847 121.494 120.570 0.129 0.000 2.436 224 I HA 0.039 4.192 4.170 -0.028 0.000 0.289 224 I C 0.476 176.674 176.117 0.134 0.000 1.083 224 I CA 0.489 61.855 61.300 0.109 0.000 1.372 224 I CB 0.362 38.410 38.000 0.078 0.000 1.408 224 I HN 0.025 nan 8.210 nan 0.000 0.516 225 S N 7.903 123.646 115.700 0.073 0.000 2.451 225 S HA 0.756 5.209 4.470 -0.028 0.000 0.301 225 S C -0.679 173.855 174.600 -0.109 0.000 1.116 225 S CA -0.681 57.473 58.200 -0.077 0.000 1.093 225 S CB 0.834 64.008 63.200 -0.043 0.000 1.017 225 S HN 0.464 nan 8.310 nan 0.000 0.482 226 L N 3.960 125.071 121.223 -0.186 0.000 2.354 226 L HA 0.698 5.021 4.340 -0.028 0.000 0.269 226 L C -1.099 175.681 176.870 -0.151 0.000 1.005 226 L CA -1.156 53.609 54.840 -0.125 0.000 0.819 226 L CB 2.261 44.270 42.059 -0.084 0.000 1.311 226 L HN 0.423 nan 8.230 nan 0.000 0.423 227 V N 2.743 122.599 119.914 -0.097 0.000 2.340 227 V HA 0.223 4.326 4.120 -0.028 0.000 0.277 227 V C 0.488 176.547 176.094 -0.058 0.000 1.017 227 V CA -0.468 61.782 62.300 -0.084 0.000 0.820 227 V CB 1.673 33.456 31.823 -0.067 0.000 1.028 227 V HN 0.490 nan 8.190 nan 0.000 0.436 238 T N 1.169 115.709 114.554 -0.024 0.000 2.829 238 T HA 0.707 5.040 4.350 -0.028 0.000 0.280 238 T C -0.774 173.911 174.700 -0.025 0.000 0.999 238 T CA -0.659 61.422 62.100 -0.030 0.000 0.983 238 T CB 2.280 71.127 68.868 -0.036 0.000 0.968 238 T HN 0.674 nan 8.240 nan 0.000 0.446 239 Q N 2.467 122.249 119.800 -0.029 0.000 2.290 239 Q HA 0.462 4.785 4.340 -0.028 0.000 0.259 239 Q C -0.519 175.463 176.000 -0.030 0.000 0.941 239 Q CA -0.837 54.952 55.803 -0.024 0.000 0.912 239 Q CB 1.489 30.215 28.738 -0.021 0.000 1.244 239 Q HN 0.749 nan 8.270 nan 0.000 0.441 240 V N 4.048 123.949 119.914 -0.020 0.000 2.493 240 V HA -0.081 4.022 4.120 -0.028 0.000 0.292 240 V C 1.158 177.242 176.094 -0.017 0.000 1.016 240 V CA 0.680 62.968 62.300 -0.019 0.000 1.097 240 V CB 0.704 32.524 31.823 -0.005 0.000 0.947 240 V HN 0.920 nan 8.190 nan 0.000 0.479 241 E N 3.674 123.859 120.200 -0.025 0.000 2.201 241 E HA 0.057 4.390 4.350 -0.028 0.000 0.193 241 E C 0.214 176.819 176.600 0.009 0.000 0.957 241 E CA 0.173 56.565 56.400 -0.014 0.000 0.858 241 E CB 0.462 30.143 29.700 -0.032 0.000 0.816 241 E HN 0.764 nan 8.360 nan 0.000 0.475 242 N N 0.542 119.253 118.700 0.018 0.000 2.448 242 N HA 0.237 4.960 4.740 -0.028 0.000 0.279 242 N C -0.414 175.117 175.510 0.036 0.000 1.025 242 N CA -0.159 52.915 53.050 0.040 0.000 0.898 242 N CB 1.855 40.387 38.487 0.074 0.000 1.303 242 N HN 0.059 nan 8.380 nan 0.000 0.495 243 G N 0.086 108.905 108.800 0.031 0.000 2.651 243 G HA2 0.621 4.564 3.960 -0.028 0.000 0.260 243 G HA3 0.621 4.564 3.960 -0.028 0.000 0.260 243 G C 0.051 174.973 174.900 0.037 0.000 1.216 243 G CA -0.207 44.911 45.100 0.029 0.000 0.913 243 G HN 0.608 nan 8.290 nan 0.000 0.535 244 G N -2.363 106.458 108.800 0.035 0.000 2.377 244 G HA2 0.455 4.398 3.960 -0.028 0.000 0.297 244 G HA3 0.455 4.398 3.960 -0.028 0.000 0.297 244 G C -1.287 173.634 174.900 0.035 0.000 1.547 244 G CA -0.628 44.494 45.100 0.037 0.000 0.833 244 G HN 0.893 nan 8.290 nan 0.000 0.583 245 V N 0.903 120.837 119.914 0.032 0.000 2.479 245 V HA 0.393 4.496 4.120 -0.028 0.000 0.281 245 V C 0.347 176.462 176.094 0.035 0.000 1.031 245 V CA -0.015 62.303 62.300 0.030 0.000 1.038 245 V CB 0.901 32.740 31.823 0.025 0.000 0.981 245 V HN 0.766 nan 8.190 nan 0.000 0.478 246 L N 5.879 127.124 121.223 0.036 0.000 2.322 246 L HA 0.884 5.207 4.340 -0.028 0.000 0.281 246 L C 0.462 177.356 176.870 0.039 0.000 1.014 246 L CA 0.498 55.364 54.840 0.042 0.000 0.815 246 L CB 1.552 43.640 42.059 0.048 0.000 1.247 246 L HN 0.602 nan 8.230 nan 0.000 0.421 247 G N 2.244 111.069 108.800 0.042 0.000 3.075 247 G HA2 0.463 4.406 3.960 -0.028 0.000 0.156 247 G HA3 0.463 4.406 3.960 -0.028 0.000 0.156 247 G C -0.920 174.006 174.900 0.044 0.000 1.403 247 G CA -0.488 44.634 45.100 0.036 0.000 1.033 247 G HN 0.598 nan 8.290 nan 0.000 0.589 248 S N 0.002 115.727 115.700 0.042 0.000 2.509 248 S HA 0.523 4.976 4.470 -0.028 0.000 0.297 248 S C -0.399 174.245 174.600 0.073 0.000 1.118 248 S CA -0.516 57.714 58.200 0.050 0.000 1.074 248 S CB 1.259 64.475 63.200 0.028 0.000 1.038 248 S HN 0.519 nan 8.310 nan 0.000 0.498 249 R N 1.571 122.129 120.500 0.097 0.000 2.728 249 R HA -0.183 4.140 4.340 -0.028 0.000 0.283 249 R C -0.750 175.628 176.300 0.129 0.000 0.956 249 R CA 0.701 56.876 56.100 0.125 0.000 0.785 249 R CB -1.377 28.996 30.300 0.122 0.000 2.035 249 R HN 0.546 nan 8.270 nan 0.000 0.510 250 K N -0.235 120.235 120.400 0.118 0.000 2.372 250 K HA 0.513 4.816 4.320 -0.028 0.000 0.251 250 K C 0.445 177.106 176.600 0.102 0.000 1.055 250 K CA -0.387 55.966 56.287 0.111 0.000 0.879 250 K CB 1.223 33.780 32.500 0.095 0.000 1.384 250 K HN 0.310 nan 8.250 nan 0.000 0.465 251 G N 0.149 109.010 108.800 0.102 0.000 2.484 251 G HA2 0.319 4.262 3.960 -0.028 0.000 0.235 251 G HA3 0.319 4.262 3.960 -0.028 0.000 0.235 251 G C -0.761 174.190 174.900 0.086 0.000 1.282 251 G CA -0.163 44.997 45.100 0.099 0.000 0.857 251 G HN 0.182 nan 8.290 nan 0.000 0.571 252 V N 3.307 123.260 119.914 0.065 0.000 2.623 252 V HA 0.411 4.514 4.120 -0.028 0.000 0.304 252 V C -0.632 175.485 176.094 0.039 0.000 1.054 252 V CA -1.142 61.188 62.300 0.050 0.000 0.882 252 V CB 1.795 33.624 31.823 0.010 0.000 1.002 252 V HN 0.786 nan 8.190 nan 0.000 0.424 253 N N 4.838 123.595 118.700 0.096 0.000 2.258 253 N HA 0.664 5.387 4.740 -0.028 0.000 0.299 253 N C -1.353 174.233 175.510 0.127 0.000 1.047 253 N CA -0.506 52.605 53.050 0.100 0.000 0.814 253 N CB 3.037 41.610 38.487 0.142 0.000 1.413 253 N HN 0.524 nan 8.380 nan 0.000 0.478 254 L N 2.166 123.425 121.223 0.059 0.000 2.384 254 L HA 0.470 4.793 4.340 -0.028 0.000 0.261 254 L C -2.439 174.465 176.870 0.058 0.000 1.024 254 L CA -1.600 53.270 54.840 0.049 0.000 0.899 254 L CB 1.067 43.127 42.059 0.001 0.000 1.243 254 L HN 0.193 nan 8.230 nan 0.000 0.449 255 P HA 0.426 nan 4.420 nan 0.000 0.279 255 P C 0.990 178.316 177.300 0.043 0.000 1.276 255 P CA 0.132 63.282 63.100 0.084 0.000 0.801 255 P CB 1.335 33.117 31.700 0.137 0.000 1.127 256 G N -0.420 108.388 108.800 0.013 0.000 3.163 256 G HA2 -0.283 3.660 3.960 -0.028 0.000 0.227 256 G HA3 -0.283 3.660 3.960 -0.028 0.000 0.227 256 G C 0.483 175.379 174.900 -0.007 0.000 1.300 256 G CA 0.310 45.404 45.100 -0.009 0.000 0.867 256 G HN 0.903 nan 8.290 nan 0.000 0.533 257 A N 1.437 124.260 122.820 0.005 0.000 2.401 257 A HA 0.603 4.906 4.320 -0.028 0.000 0.259 257 A C 0.697 178.286 177.584 0.009 0.000 1.103 257 A CA 0.751 52.792 52.037 0.008 0.000 0.789 257 A CB 0.190 19.199 19.000 0.016 0.000 1.035 257 A HN 1.071 nan 8.150 nan 0.000 0.491 258 Q N 2.147 121.953 119.800 0.011 0.000 2.361 258 Q HA 0.401 4.723 4.340 -0.028 0.000 0.250 258 Q C -1.066 174.943 176.000 0.014 0.000 1.023 258 Q CA -0.610 55.200 55.803 0.012 0.000 0.915 258 Q CB 0.545 29.291 28.738 0.014 0.000 1.238 258 Q HN 0.315 nan 8.270 nan 0.000 0.451 259 V N 4.232 124.141 119.914 -0.010 0.000 2.390 259 V HA -0.097 4.006 4.120 -0.028 0.000 0.260 259 V C 1.012 177.104 176.094 -0.004 0.000 1.043 259 V CA 0.394 62.677 62.300 -0.027 0.000 1.047 259 V CB -0.390 31.326 31.823 -0.178 0.000 1.066 259 V HN 0.930 nan 8.190 nan 0.000 0.481 260 D N 3.703 124.140 120.400 0.062 0.000 2.311 260 D HA -0.180 4.443 4.640 -0.028 0.000 0.212 260 D C 0.958 177.295 176.300 0.062 0.000 0.972 260 D CA 0.225 54.260 54.000 0.059 0.000 0.887 260 D CB -0.057 40.782 40.800 0.066 0.000 0.915 260 D HN 0.416 nan 8.370 nan 0.000 0.497 261 L N 1.868 123.138 121.223 0.079 0.000 2.640 261 L HA 0.118 4.441 4.340 -0.028 0.000 0.280 261 L C -2.166 174.681 176.870 -0.038 0.000 1.229 261 L CA -0.946 53.907 54.840 0.021 0.000 0.919 261 L CB -0.247 41.628 42.059 -0.307 0.000 1.168 261 L HN 0.012 nan 8.230 nan 0.000 0.496 262 P HA 0.172 nan 4.420 nan 0.000 0.279 262 P C 0.562 177.856 177.300 -0.010 0.000 1.239 262 P CA -0.268 62.833 63.100 0.002 0.000 0.789 262 P CB 0.964 32.676 31.700 0.020 0.000 0.933 263 G N 1.760 110.563 108.800 0.006 0.000 2.564 263 G HA2 -0.039 3.904 3.960 -0.028 0.000 0.216 263 G HA3 -0.039 3.904 3.960 -0.028 0.000 0.216 263 G C 0.108 175.029 174.900 0.034 0.000 1.124 263 G CA 0.571 45.687 45.100 0.027 0.000 0.764 263 G HN 0.434 nan 8.290 nan 0.000 0.550 264 L N 1.190 122.428 121.223 0.025 0.000 2.617 264 L HA 0.336 4.659 4.340 -0.028 0.000 0.259 264 L C 0.462 177.350 176.870 0.029 0.000 0.995 264 L CA -0.903 53.954 54.840 0.029 0.000 0.899 264 L CB 1.153 43.227 42.059 0.024 0.000 1.181 264 L HN 0.122 nan 8.230 nan 0.000 0.437 265 S N 1.145 116.865 115.700 0.034 0.000 2.626 265 S HA 0.210 4.663 4.470 -0.028 0.000 0.257 265 S C 1.047 175.673 174.600 0.043 0.000 1.288 265 S CA 0.089 58.312 58.200 0.039 0.000 0.980 265 S CB 0.699 63.925 63.200 0.043 0.000 0.975 265 S HN 0.640 nan 8.310 nan 0.000 0.577 266 E N -0.396 119.830 120.200 0.045 0.000 2.106 266 E HA -0.164 4.169 4.350 -0.028 0.000 0.192 266 E C 2.114 178.749 176.600 0.059 0.000 0.984 266 E CA 0.905 57.333 56.400 0.047 0.000 0.806 266 E CB -0.141 29.585 29.700 0.042 0.000 0.750 266 E HN 0.642 nan 8.360 nan 0.000 0.458 267 Q N 1.291 121.129 119.800 0.062 0.000 1.975 267 Q HA -0.204 4.119 4.340 -0.028 0.000 0.205 267 Q C 1.547 177.607 176.000 0.101 0.000 0.990 267 Q CA 2.085 57.937 55.803 0.082 0.000 0.845 267 Q CB -0.370 28.416 28.738 0.080 0.000 0.913 267 Q HN 0.295 nan 8.270 nan 0.000 0.420 268 D N -0.808 119.639 120.400 0.079 0.000 2.191 268 D HA -0.185 4.438 4.640 -0.028 0.000 0.195 268 D C 1.810 178.136 176.300 0.043 0.000 1.003 268 D CA 1.611 55.644 54.000 0.055 0.000 0.867 268 D CB -0.041 40.784 40.800 0.043 0.000 0.926 268 D HN 0.170 nan 8.370 nan 0.000 0.450 269 V N 0.747 120.694 119.914 0.055 0.000 2.379 269 V HA -0.175 3.928 4.120 -0.028 0.000 0.245 269 V C 2.547 178.690 176.094 0.081 0.000 1.044 269 V CA 1.331 63.661 62.300 0.050 0.000 1.036 269 V CB -0.295 31.555 31.823 0.045 0.000 0.664 269 V HN 0.102 nan 8.190 nan 0.000 0.453 270 R N -0.295 120.281 120.500 0.126 0.000 2.073 270 R HA -0.124 4.199 4.340 -0.028 0.000 0.229 270 R C 2.096 178.582 176.300 0.309 0.000 1.120 270 R CA 1.564 57.792 56.100 0.214 0.000 0.967 270 R CB -0.327 30.103 30.300 0.217 0.000 0.862 270 R HN 0.516 nan 8.270 nan 0.000 0.436 271 D N 0.863 121.409 120.400 0.243 0.000 2.092 271 D HA -0.175 4.448 4.640 -0.028 0.000 0.193 271 D C 1.925 178.184 176.300 -0.068 0.000 0.994 271 D CA 1.245 55.294 54.000 0.083 0.000 0.828 271 D CB -0.285 40.476 40.800 -0.065 0.000 0.963 271 D HN 0.154 nan 8.370 nan 0.000 0.450 272 L N 0.441 121.632 121.223 -0.053 0.000 2.191 272 L HA -0.125 4.198 4.340 -0.028 0.000 0.212 272 L C 2.430 179.303 176.870 0.005 0.000 1.103 272 L CA 0.818 55.622 54.840 -0.061 0.000 0.769 272 L CB -0.195 41.835 42.059 -0.049 0.000 0.908 272 L HN -0.071 nan 8.230 nan 0.000 0.438 273 R N -0.430 120.110 120.500 0.066 0.000 2.062 273 R HA -0.096 4.226 4.340 -0.028 0.000 0.229 273 R C 2.160 178.518 176.300 0.095 0.000 1.128 273 R CA 1.185 57.327 56.100 0.071 0.000 0.960 273 R CB -1.207 29.151 30.300 0.096 0.000 0.855 273 R HN 0.262 nan 8.270 nan 0.000 0.432 274 F N 1.628 121.582 119.950 0.008 0.000 2.063 274 F HA -0.243 4.267 4.527 -0.029 0.000 0.298 274 F C 2.252 178.086 175.800 0.056 0.000 1.109 274 F CA 2.076 60.089 58.000 0.021 0.000 1.212 274 F CB -0.717 38.145 39.000 -0.229 0.000 0.973 274 F HN 0.157 nan 8.300 nan 0.000 0.480 275 G N 0.000 108.941 108.800 0.235 0.000 2.556 275 G HA2 -0.314 3.629 3.960 -0.028 0.000 0.220 275 G HA3 -0.314 3.629 3.960 -0.028 0.000 0.220 275 G C 1.631 176.526 174.900 -0.008 0.000 1.156 275 G CA 1.669 46.817 45.100 0.079 0.000 0.766 275 G HN 0.395 nan 8.290 nan 0.000 0.583 276 V N 0.460 120.353 119.914 -0.035 0.000 2.453 276 V HA -0.093 4.010 4.120 -0.028 0.000 0.247 276 V C 2.599 178.630 176.094 -0.105 0.000 1.048 276 V CA 2.005 64.269 62.300 -0.060 0.000 1.049 276 V CB -0.463 31.327 31.823 -0.054 0.000 0.672 276 V HN 0.462 nan 8.190 nan 0.000 0.457 277 E N -0.473 119.627 120.200 -0.167 0.000 2.077 277 E HA -0.203 4.130 4.350 -0.028 0.000 0.193 277 E C 2.029 178.380 176.600 -0.414 0.000 0.989 277 E CA 1.394 57.608 56.400 -0.311 0.000 0.800 277 E CB -0.154 29.289 29.700 -0.430 0.000 0.746 277 E HN 0.702 nan 8.360 nan 0.000 0.452 278 H N -1.117 117.751 119.070 -0.336 0.000 2.553 278 H HA 0.137 4.676 4.556 -0.028 0.000 0.265 278 H C 0.955 176.204 175.328 -0.132 0.000 0.964 278 H CA 0.751 56.635 56.048 -0.275 0.000 1.156 278 H CB 0.967 30.477 29.762 -0.420 0.000 1.411 278 H HN 0.308 nan 8.280 nan 0.000 0.558 279 G N 2.002 110.789 108.800 -0.021 0.000 2.248 279 G HA2 -0.281 3.662 3.960 -0.028 0.000 0.263 279 G HA3 -0.281 3.662 3.960 -0.028 0.000 0.263 279 G C 0.569 175.473 174.900 0.006 0.000 1.082 279 G CA 0.336 45.427 45.100 -0.014 0.000 0.863 279 G HN 0.409 nan 8.290 nan 0.000 0.495 280 V N -2.864 117.056 119.914 0.010 0.000 3.178 280 V HA 0.461 4.564 4.120 -0.028 0.000 0.306 280 V C 1.093 177.168 176.094 -0.032 0.000 1.107 280 V CA 1.260 63.556 62.300 -0.006 0.000 1.195 280 V CB 0.881 32.691 31.823 -0.021 0.000 0.993 280 V HN 0.208 nan 8.190 nan 0.000 0.493 281 D N 1.672 122.044 120.400 -0.048 0.000 2.388 281 D HA 0.407 5.030 4.640 -0.028 0.000 0.208 281 D C 0.081 176.336 176.300 -0.075 0.000 1.035 281 D CA 0.591 54.566 54.000 -0.042 0.000 0.875 281 D CB 0.316 41.106 40.800 -0.018 0.000 0.984 281 D HN 0.605 nan 8.370 nan 0.000 0.508 282 I N 0.202 120.688 120.570 -0.141 0.000 2.827 282 I HA 0.272 4.425 4.170 -0.028 0.000 0.298 282 I C -1.385 174.554 176.117 -0.296 0.000 1.235 282 I CA -0.999 60.175 61.300 -0.210 0.000 1.021 282 I CB 3.150 40.966 38.000 -0.306 0.000 1.259 282 I HN -0.380 nan 8.210 nan 0.000 0.427 283 V N 5.059 124.835 119.914 -0.229 0.000 2.540 283 V HA 0.457 4.560 4.120 -0.028 0.000 0.302 283 V C -1.013 175.021 176.094 -0.099 0.000 1.035 283 V CA -0.535 61.641 62.300 -0.207 0.000 0.873 283 V CB 1.746 33.504 31.823 -0.109 0.000 0.992 283 V HN 0.322 nan 8.190 nan 0.000 0.428 284 F N 3.363 123.293 119.950 -0.032 0.000 2.361 284 F HA 0.670 5.181 4.527 -0.027 0.000 0.364 284 F C 0.636 176.417 175.800 -0.033 0.000 1.120 284 F CA -1.354 56.630 58.000 -0.027 0.000 1.102 284 F CB 1.393 40.382 39.000 -0.018 0.000 1.183 284 F HN 0.509 nan 8.300 nan 0.000 0.476 285 A N 3.181 126.092 122.820 0.152 0.000 2.341 285 A HA 0.544 4.847 4.320 -0.028 0.000 0.326 285 A C 0.353 177.968 177.584 0.051 0.000 1.402 285 A CA -0.452 51.629 52.037 0.074 0.000 0.957 285 A CB -0.173 18.855 19.000 0.047 0.000 1.151 285 A HN 0.629 nan 8.150 nan 0.000 0.533 286 S N 1.005 116.740 115.700 0.058 0.000 2.566 286 S HA 0.242 4.695 4.470 -0.028 0.000 0.280 286 S C 0.382 175.055 174.600 0.123 0.000 1.343 286 S CA 0.205 58.411 58.200 0.010 0.000 1.036 286 S CB -0.390 62.881 63.200 0.119 0.000 0.866 286 S HN 0.788 nan 8.310 nan 0.000 0.526 287 F N -0.922 119.033 119.950 0.009 0.000 3.109 287 F HA -0.196 4.314 4.527 -0.028 0.000 0.278 287 F C 0.686 176.487 175.800 0.002 0.000 0.890 287 F CA -0.084 57.916 58.000 0.001 0.000 0.972 287 F CB -2.260 36.734 39.000 -0.011 0.000 1.070 287 F HN 0.236 nan 8.300 nan 0.000 0.578 288 V N 1.147 121.124 119.914 0.105 0.000 2.583 288 V HA -0.184 3.919 4.120 -0.028 0.000 0.302 288 V C 1.412 177.548 176.094 0.070 0.000 1.033 288 V CA 1.209 63.551 62.300 0.069 0.000 1.194 288 V CB 0.505 32.342 31.823 0.024 0.000 0.879 288 V HN 0.363 nan 8.190 nan 0.000 0.482 289 R N 3.654 124.194 120.500 0.067 0.000 2.335 289 R HA 0.289 4.612 4.340 -0.028 0.000 0.210 289 R C 0.120 176.440 176.300 0.034 0.000 0.892 289 R CA 0.002 56.137 56.100 0.060 0.000 1.048 289 R CB 0.324 30.664 30.300 0.066 0.000 1.067 289 R HN 0.809 nan 8.270 nan 0.000 0.524 290 K N -1.886 118.525 120.400 0.018 0.000 2.660 290 K HA 0.478 4.780 4.320 -0.028 0.000 0.285 290 K C -0.092 176.502 176.600 -0.010 0.000 0.997 290 K CA -0.266 56.022 56.287 0.002 0.000 0.861 290 K CB 0.905 33.411 32.500 0.010 0.000 1.469 290 K HN -0.153 nan 8.250 nan 0.000 0.395 291 A N 1.351 124.157 122.820 -0.022 0.000 1.940 291 A HA -0.305 3.998 4.320 -0.028 0.000 0.221 291 A C 2.261 179.836 177.584 -0.015 0.000 1.190 291 A CA 3.115 55.136 52.037 -0.027 0.000 0.647 291 A CB -1.320 17.663 19.000 -0.029 0.000 0.821 291 A HN 0.976 nan 8.150 nan 0.000 0.457 292 S N 0.075 115.772 115.700 -0.006 0.000 2.374 292 S HA -0.277 4.175 4.470 -0.028 0.000 0.227 292 S C 1.527 176.128 174.600 0.001 0.000 1.037 292 S CA 1.880 60.080 58.200 -0.001 0.000 1.024 292 S CB -0.725 62.477 63.200 0.004 0.000 0.861 292 S HN 0.534 nan 8.310 nan 0.000 0.456 293 D N 0.835 121.239 120.400 0.005 0.000 2.182 293 D HA -0.079 4.544 4.640 -0.028 0.000 0.201 293 D C 2.072 178.377 176.300 0.007 0.000 0.986 293 D CA 1.333 55.341 54.000 0.013 0.000 0.847 293 D CB -0.528 40.287 40.800 0.024 0.000 0.942 293 D HN 0.480 nan 8.370 nan 0.000 0.467 294 V N -0.040 119.872 119.914 -0.003 0.000 2.446 294 V HA 0.048 4.151 4.120 -0.028 0.000 0.244 294 V C 2.126 178.214 176.094 -0.010 0.000 1.039 294 V CA 1.614 63.910 62.300 -0.008 0.000 1.045 294 V CB -0.320 31.493 31.823 -0.017 0.000 0.681 294 V HN 0.115 nan 8.190 nan 0.000 0.459 295 A N 0.791 123.605 122.820 -0.009 0.000 1.927 295 A HA -0.172 4.131 4.320 -0.028 0.000 0.220 295 A C 2.543 180.122 177.584 -0.010 0.000 1.185 295 A CA 2.944 54.975 52.037 -0.009 0.000 0.639 295 A CB -1.340 17.657 19.000 -0.005 0.000 0.820 295 A HN 1.125 nan 8.150 nan 0.000 0.451 296 A N -0.555 122.262 122.820 -0.005 0.000 1.859 296 A HA -0.108 4.195 4.320 -0.028 0.000 0.217 296 A C 2.267 179.845 177.584 -0.010 0.000 1.198 296 A CA 2.280 54.316 52.037 -0.003 0.000 0.629 296 A CB -1.240 17.763 19.000 0.005 0.000 0.830 296 A HN 0.561 nan 8.150 nan 0.000 0.446 297 V N -0.205 119.703 119.914 -0.011 0.000 2.255 297 V HA -0.299 3.804 4.120 -0.028 0.000 0.247 297 V C 2.617 178.689 176.094 -0.036 0.000 1.051 297 V CA 2.463 64.751 62.300 -0.019 0.000 1.018 297 V CB -0.932 30.882 31.823 -0.014 0.000 0.641 297 V HN 0.624 nan 8.190 nan 0.000 0.445 298 R N 0.013 120.490 120.500 -0.039 0.000 2.097 298 R HA -0.241 4.082 4.340 -0.028 0.000 0.236 298 R C 2.370 178.621 176.300 -0.082 0.000 1.135 298 R CA 1.997 58.060 56.100 -0.063 0.000 0.934 298 R CB -0.749 29.523 30.300 -0.046 0.000 0.846 298 R HN 0.512 nan 8.270 nan 0.000 0.431 299 A N 0.582 123.370 122.820 -0.054 0.000 1.863 299 A HA -0.285 4.018 4.320 -0.028 0.000 0.218 299 A C 2.395 179.949 177.584 -0.049 0.000 1.233 299 A CA 2.508 54.516 52.037 -0.047 0.000 0.655 299 A CB -1.498 17.488 19.000 -0.023 0.000 0.839 299 A HN 0.590 nan 8.150 nan 0.000 0.454 300 A N -1.354 121.446 122.820 -0.032 0.000 1.958 300 A HA -0.149 4.154 4.320 -0.028 0.000 0.221 300 A C 2.059 179.620 177.584 -0.038 0.000 1.178 300 A CA 2.043 54.066 52.037 -0.023 0.000 0.642 300 A CB -0.672 18.322 19.000 -0.011 0.000 0.816 300 A HN 0.530 nan 8.150 nan 0.000 0.453 301 L N -1.442 119.746 121.223 -0.059 0.000 2.129 301 L HA 0.061 4.384 4.340 -0.028 0.000 0.212 301 L C 1.526 178.341 176.870 -0.092 0.000 1.087 301 L CA 1.601 56.395 54.840 -0.077 0.000 0.757 301 L CB -1.562 40.440 42.059 -0.096 0.000 0.896 301 L HN 0.897 nan 8.230 nan 0.000 0.434 302 G N -2.456 106.277 108.800 -0.110 0.000 2.795 302 G HA2 -0.200 3.743 3.960 -0.028 0.000 0.664 302 G HA3 -0.200 3.743 3.960 -0.028 0.000 0.664 302 G C -1.881 172.910 174.900 -0.181 0.000 1.381 302 G CA -0.271 44.765 45.100 -0.107 0.000 0.853 302 G HN 0.109 nan 8.290 nan 0.000 0.545 303 P HA 0.070 nan 4.420 nan 0.000 0.218 303 P C 1.445 178.739 177.300 -0.011 0.000 1.152 303 P CA 1.465 64.520 63.100 -0.074 0.000 0.826 303 P CB 0.028 31.755 31.700 0.044 0.000 0.790 304 E N -0.248 119.938 120.200 -0.023 0.000 2.501 304 E HA -0.051 4.281 4.350 -0.028 0.000 0.203 304 E C 1.135 177.720 176.600 -0.026 0.000 1.072 304 E CA 1.161 57.552 56.400 -0.015 0.000 0.885 304 E CB -0.724 28.958 29.700 -0.029 0.000 0.813 304 E HN 0.315 nan 8.360 nan 0.000 0.556 305 G N -0.110 108.653 108.800 -0.062 0.000 4.683 305 G HA2 0.143 4.086 3.960 -0.028 0.000 0.273 305 G HA3 0.143 4.086 3.960 -0.028 0.000 0.273 305 G C 0.163 175.013 174.900 -0.083 0.000 1.065 305 G CA -0.510 44.551 45.100 -0.065 0.000 0.837 305 G HN 0.128 nan 8.290 nan 0.000 0.526 306 H N 0.071 119.129 119.070 -0.019 0.000 2.421 306 H HA -0.034 4.505 4.556 -0.029 0.000 0.298 306 H C 2.680 177.997 175.328 -0.019 0.000 1.087 306 H CA 1.909 57.947 56.048 -0.018 0.000 1.330 306 H CB 0.531 30.283 29.762 -0.016 0.000 1.388 306 H HN 0.426 nan 8.280 nan 0.000 0.526 307 G N 0.767 109.624 108.800 0.096 0.000 2.422 307 G HA2 -0.128 3.815 3.960 -0.028 0.000 0.218 307 G HA3 -0.128 3.815 3.960 -0.028 0.000 0.218 307 G C 0.666 175.576 174.900 0.018 0.000 1.140 307 G CA 0.061 45.190 45.100 0.047 0.000 0.775 307 G HN 0.235 nan 8.290 nan 0.000 0.545 308 I N 1.552 122.122 120.570 -0.001 0.000 2.826 308 I HA 0.001 4.154 4.170 -0.028 0.000 0.295 308 I C 0.141 176.247 176.117 -0.019 0.000 1.213 308 I CA 0.363 61.650 61.300 -0.023 0.000 1.436 308 I CB 0.473 38.446 38.000 -0.044 0.000 1.348 308 I HN 0.031 nan 8.210 nan 0.000 0.570 309 K N 7.480 127.866 120.400 -0.023 0.000 2.143 309 K HA 0.581 4.884 4.320 -0.028 0.000 0.272 309 K C -0.447 176.143 176.600 -0.016 0.000 1.001 309 K CA -0.556 55.725 56.287 -0.010 0.000 0.915 309 K CB 1.960 34.461 32.500 0.002 0.000 1.047 309 K HN 0.488 nan 8.250 nan 0.000 0.458 310 I N 3.937 124.509 120.570 0.004 0.000 2.389 310 I HA 0.293 4.446 4.170 -0.028 0.000 0.288 310 I C -0.452 175.695 176.117 0.051 0.000 0.999 310 I CA -0.883 60.425 61.300 0.013 0.000 1.129 310 I CB 1.328 39.327 38.000 -0.001 0.000 1.288 310 I HN 0.241 nan 8.210 nan 0.000 0.444 311 I N 4.901 125.538 120.570 0.111 0.000 2.410 311 I HA 0.241 4.394 4.170 -0.028 0.000 0.286 311 I C 0.068 176.259 176.117 0.123 0.000 1.009 311 I CA -0.384 61.011 61.300 0.158 0.000 1.111 311 I CB 1.612 39.833 38.000 0.369 0.000 1.262 311 I HN 0.440 nan 8.210 nan 0.000 0.443 312 S N 6.648 122.375 115.700 0.046 0.000 2.465 312 S HA 0.305 4.757 4.470 -0.028 0.000 0.279 312 S C 0.174 174.773 174.600 -0.002 0.000 1.201 312 S CA -0.737 57.472 58.200 0.016 0.000 1.053 312 S CB 0.568 63.754 63.200 -0.023 0.000 0.953 312 S HN 0.346 nan 8.310 nan 0.000 0.488 313 K N 3.020 123.407 120.400 -0.022 0.000 2.316 313 K HA 0.279 4.582 4.320 -0.028 0.000 0.289 313 K C -0.511 176.040 176.600 -0.082 0.000 1.070 313 K CA -0.397 55.840 56.287 -0.083 0.000 0.928 313 K CB 0.474 32.889 32.500 -0.142 0.000 1.039 313 K HN 0.445 nan 8.250 nan 0.000 0.480 314 I N 3.872 124.411 120.570 -0.051 0.000 2.308 314 I HA 0.043 4.196 4.170 -0.028 0.000 0.293 314 I C 0.818 176.887 176.117 -0.081 0.000 1.078 314 I CA 0.359 61.646 61.300 -0.022 0.000 1.292 314 I CB 0.393 38.430 38.000 0.061 0.000 1.423 314 I HN 0.710 nan 8.210 nan 0.000 0.493 315 E N 4.647 124.786 120.200 -0.101 0.000 2.583 315 E HA 0.094 4.427 4.350 -0.028 0.000 0.213 315 E C -0.470 176.142 176.600 0.020 0.000 0.989 315 E CA -0.091 56.215 56.400 -0.157 0.000 0.991 315 E CB 0.581 29.920 29.700 -0.601 0.000 1.040 315 E HN 0.800 nan 8.360 nan 0.000 0.481 316 N N -1.721 117.016 118.700 0.062 0.000 3.227 316 N HA -0.045 4.678 4.740 -0.028 0.000 0.241 316 N C 0.318 175.883 175.510 0.091 0.000 1.480 316 N CA -0.657 52.458 53.050 0.109 0.000 0.886 316 N CB 0.312 38.909 38.487 0.183 0.000 1.406 316 N HN -0.230 nan 8.380 nan 0.000 0.514 317 H N -0.220 118.874 119.070 0.039 0.000 2.390 317 H HA -0.150 4.389 4.556 -0.028 0.000 0.298 317 H C 1.091 176.438 175.328 0.031 0.000 1.106 317 H CA 2.593 58.655 56.048 0.024 0.000 1.297 317 H CB 0.315 30.088 29.762 0.019 0.000 1.375 317 H HN 0.814 nan 8.280 nan 0.000 0.509 318 E N -0.462 119.853 120.200 0.191 0.000 2.046 318 E HA -0.083 4.250 4.350 -0.028 0.000 0.190 318 E C 2.557 179.197 176.600 0.068 0.000 0.982 318 E CA 0.926 57.413 56.400 0.146 0.000 0.800 318 E CB -0.428 29.346 29.700 0.124 0.000 0.756 318 E HN 0.508 nan 8.360 nan 0.000 0.449 319 G N 0.871 109.711 108.800 0.067 0.000 2.513 319 G HA2 -0.317 3.626 3.960 -0.028 0.000 0.219 319 G HA3 -0.317 3.626 3.960 -0.028 0.000 0.219 319 G C 1.663 176.604 174.900 0.068 0.000 1.160 319 G CA 1.346 46.483 45.100 0.061 0.000 0.767 319 G HN 0.263 nan 8.290 nan 0.000 0.571 320 V N 0.826 120.741 119.914 0.001 0.000 2.255 320 V HA -0.183 3.920 4.120 -0.028 0.000 0.247 320 V C 2.892 178.968 176.094 -0.030 0.000 1.051 320 V CA 2.154 64.426 62.300 -0.046 0.000 1.018 320 V CB -0.382 31.317 31.823 -0.206 0.000 0.641 320 V HN 0.213 nan 8.190 nan 0.000 0.445 321 K N 0.291 120.635 120.400 -0.093 0.000 2.152 321 K HA -0.103 4.200 4.320 -0.028 0.000 0.206 321 K C 1.741 178.362 176.600 0.035 0.000 1.048 321 K CA 1.345 57.610 56.287 -0.035 0.000 0.933 321 K CB -0.277 32.231 32.500 0.012 0.000 0.721 321 K HN 0.495 nan 8.250 nan 0.000 0.447 322 R N -0.526 120.005 120.500 0.052 0.000 2.609 322 R HA 0.115 4.438 4.340 -0.028 0.000 0.326 322 R C 1.261 177.590 176.300 0.049 0.000 1.090 322 R CA -0.361 55.767 56.100 0.047 0.000 1.072 322 R CB -0.222 30.095 30.300 0.027 0.000 1.330 322 R HN 0.022 nan 8.270 nan 0.000 0.572 323 F N 2.529 122.456 119.950 -0.039 0.000 2.043 323 F HA -0.328 4.183 4.527 -0.026 0.000 0.297 323 F C 1.699 177.481 175.800 -0.029 0.000 1.118 323 F CA 2.022 59.998 58.000 -0.040 0.000 1.202 323 F CB 0.088 39.056 39.000 -0.054 0.000 0.965 323 F HN 0.066 nan 8.300 nan 0.000 0.482 324 D N 0.289 120.723 120.400 0.058 0.000 2.126 324 D HA -0.290 4.333 4.640 -0.028 0.000 0.190 324 D C 2.121 178.331 176.300 -0.151 0.000 1.001 324 D CA 2.141 56.121 54.000 -0.034 0.000 0.841 324 D CB -0.760 40.066 40.800 0.044 0.000 0.949 324 D HN 0.707 nan 8.370 nan 0.000 0.446 325 E N 0.975 121.116 120.200 -0.098 0.000 2.051 325 E HA -0.157 4.176 4.350 -0.028 0.000 0.192 325 E C 2.442 178.960 176.600 -0.136 0.000 0.991 325 E CA 0.895 57.242 56.400 -0.089 0.000 0.799 325 E CB -0.630 29.042 29.700 -0.046 0.000 0.748 325 E HN 0.296 nan 8.360 nan 0.000 0.449 326 I N 1.127 121.588 120.570 -0.181 0.000 2.194 326 I HA -0.287 3.866 4.170 -0.028 0.000 0.246 326 I C 2.774 178.722 176.117 -0.282 0.000 1.093 326 I CA 1.120 62.294 61.300 -0.211 0.000 1.355 326 I CB -0.466 37.399 38.000 -0.224 0.000 1.046 326 I HN 0.246 nan 8.210 nan 0.000 0.413 327 L N 0.759 121.708 121.223 -0.457 0.000 2.017 327 L HA -0.242 4.081 4.340 -0.028 0.000 0.208 327 L C 2.588 179.335 176.870 -0.205 0.000 1.073 327 L CA 1.698 56.286 54.840 -0.419 0.000 0.745 327 L CB -0.405 41.328 42.059 -0.543 0.000 0.894 327 L HN 0.311 nan 8.230 nan 0.000 0.432 328 E N -1.011 119.092 120.200 -0.161 0.000 2.284 328 E HA -0.234 4.098 4.350 -0.028 0.000 0.200 328 E C 1.884 178.442 176.600 -0.071 0.000 1.008 328 E CA 1.307 57.653 56.400 -0.091 0.000 0.829 328 E CB 0.232 29.889 29.700 -0.070 0.000 0.744 328 E HN 0.364 nan 8.360 nan 0.000 0.491 329 V N -0.486 119.378 119.914 -0.083 0.000 3.307 329 V HA 0.025 4.128 4.120 -0.028 0.000 0.244 329 V C 0.477 176.540 176.094 -0.050 0.000 1.196 329 V CA 0.276 62.542 62.300 -0.056 0.000 1.132 329 V CB 1.062 32.854 31.823 -0.052 0.000 0.875 329 V HN 0.043 nan 8.190 nan 0.000 0.468 330 S N 0.914 116.571 115.700 -0.071 0.000 2.585 330 S HA 0.105 4.558 4.470 -0.028 0.000 0.273 330 S C 0.750 175.328 174.600 -0.037 0.000 1.339 330 S CA -0.390 57.779 58.200 -0.051 0.000 1.028 330 S CB 0.844 64.004 63.200 -0.067 0.000 0.906 330 S HN 0.370 nan 8.310 nan 0.000 0.528 331 D N 0.870 121.262 120.400 -0.012 0.000 2.224 331 D HA 0.152 4.775 4.640 -0.028 0.000 0.205 331 D C 1.015 177.318 176.300 0.005 0.000 0.965 331 D CA 0.998 54.997 54.000 -0.002 0.000 0.852 331 D CB 0.100 40.906 40.800 0.011 0.000 0.947 331 D HN 0.683 nan 8.370 nan 0.000 0.494 332 G N -0.665 108.143 108.800 0.012 0.000 2.494 332 G HA2 0.432 4.375 3.960 -0.028 0.000 0.308 332 G HA3 0.432 4.375 3.960 -0.028 0.000 0.308 332 G C -1.708 173.205 174.900 0.021 0.000 1.263 332 G CA -0.560 44.551 45.100 0.018 0.000 0.840 332 G HN -0.074 nan 8.290 nan 0.000 0.479 333 I N 0.585 121.179 120.570 0.041 0.000 2.689 333 I HA 0.556 4.709 4.170 -0.028 0.000 0.299 333 I C -0.348 175.771 176.117 0.003 0.000 1.059 333 I CA -0.824 60.505 61.300 0.049 0.000 1.055 333 I CB 1.856 39.954 38.000 0.163 0.000 1.243 333 I HN 0.643 nan 8.210 nan 0.000 0.425 334 M N 5.691 125.264 119.600 -0.045 0.000 2.078 334 M HA 0.401 4.864 4.480 -0.028 0.000 0.320 334 M C -1.295 174.948 176.300 -0.095 0.000 0.969 334 M CA -0.657 54.560 55.300 -0.138 0.000 0.929 334 M CB 1.207 33.632 32.600 -0.291 0.000 1.504 334 M HN 0.258 nan 8.290 nan 0.000 0.419 335 V N 5.517 125.383 119.914 -0.080 0.000 2.377 335 V HA 0.123 4.226 4.120 -0.028 0.000 0.254 335 V C 0.777 176.812 176.094 -0.099 0.000 1.060 335 V CA -0.025 62.231 62.300 -0.074 0.000 1.068 335 V CB -0.154 31.629 31.823 -0.067 0.000 1.113 335 V HN 0.879 nan 8.190 nan 0.000 0.484 336 A N 5.758 128.509 122.820 -0.115 0.000 2.990 336 A HA 0.273 4.576 4.320 -0.028 0.000 0.282 336 A C 1.536 179.058 177.584 -0.103 0.000 1.688 336 A CA -0.313 51.642 52.037 -0.136 0.000 1.391 336 A CB -0.441 18.442 19.000 -0.195 0.000 1.112 336 A HN 0.863 nan 8.150 nan 0.000 0.588 337 R N 1.246 121.700 120.500 -0.076 0.000 2.159 337 R HA -0.145 4.178 4.340 -0.028 0.000 0.237 337 R C 2.257 178.530 176.300 -0.044 0.000 1.131 337 R CA 1.572 57.641 56.100 -0.052 0.000 0.982 337 R CB -0.176 30.103 30.300 -0.034 0.000 0.868 337 R HN 0.713 nan 8.270 nan 0.000 0.453 338 G N 1.226 109.998 108.800 -0.047 0.000 2.736 338 G HA2 -0.301 3.642 3.960 -0.028 0.000 0.214 338 G HA3 -0.301 3.642 3.960 -0.028 0.000 0.214 338 G C 0.886 175.773 174.900 -0.022 0.000 1.327 338 G CA 1.155 46.239 45.100 -0.027 0.000 0.818 338 G HN 0.197 nan 8.290 nan 0.000 0.611 339 D N 0.205 120.587 120.400 -0.030 0.000 2.126 339 D HA -0.155 4.468 4.640 -0.028 0.000 0.190 339 D C 2.455 178.758 176.300 0.005 0.000 1.001 339 D CA 1.341 55.348 54.000 0.011 0.000 0.841 339 D CB -0.426 40.347 40.800 -0.045 0.000 0.949 339 D HN 0.137 nan 8.370 nan 0.000 0.446 340 L N 1.077 122.280 121.223 -0.032 0.000 2.137 340 L HA -0.111 4.212 4.340 -0.028 0.000 0.213 340 L C 2.154 179.010 176.870 -0.024 0.000 1.085 340 L CA 2.027 56.853 54.840 -0.024 0.000 0.760 340 L CB -0.814 41.216 42.059 -0.048 0.000 0.893 340 L HN 0.054 nan 8.230 nan 0.000 0.434 341 G N -1.687 107.094 108.800 -0.031 0.000 2.848 341 G HA2 -0.016 3.927 3.960 -0.028 0.000 0.208 341 G HA3 -0.016 3.927 3.960 -0.028 0.000 0.208 341 G C 1.393 176.253 174.900 -0.067 0.000 1.152 341 G CA 0.682 45.760 45.100 -0.037 0.000 0.789 341 G HN 0.499 nan 8.290 nan 0.000 0.531 342 I N -0.848 119.677 120.570 -0.074 0.000 3.565 342 I HA 0.116 4.269 4.170 -0.028 0.000 0.287 342 I C 2.150 178.181 176.117 -0.143 0.000 1.193 342 I CA 0.044 61.249 61.300 -0.157 0.000 1.402 342 I CB 0.154 38.084 38.000 -0.117 0.000 1.284 342 I HN -0.060 nan 8.210 nan 0.000 0.454 343 E N 2.006 122.191 120.200 -0.025 0.000 2.153 343 E HA -0.063 4.270 4.350 -0.028 0.000 0.194 343 E C 0.787 177.409 176.600 0.036 0.000 0.988 343 E CA 1.064 57.484 56.400 0.034 0.000 0.811 343 E CB 0.030 29.785 29.700 0.091 0.000 0.746 343 E HN 0.553 nan 8.360 nan 0.000 0.466 344 I N -2.367 118.212 120.570 0.016 0.000 2.957 344 I HA 0.467 4.620 4.170 -0.028 0.000 0.310 344 I C -2.747 173.363 176.117 -0.012 0.000 1.063 344 I CA -3.124 58.196 61.300 0.033 0.000 1.033 344 I CB 1.990 40.024 38.000 0.057 0.000 1.230 344 I HN -0.366 nan 8.210 nan 0.000 0.447 345 P HA 0.120 nan 4.420 nan 0.000 0.268 345 P C 0.468 177.765 177.300 -0.005 0.000 1.204 345 P CA -0.029 63.066 63.100 -0.009 0.000 0.768 345 P CB 1.167 32.874 31.700 0.012 0.000 0.842 346 A N 3.875 126.689 122.820 -0.009 0.000 1.948 346 A HA -0.259 4.044 4.320 -0.028 0.000 0.220 346 A C 1.646 179.261 177.584 0.052 0.000 1.177 346 A CA 1.787 53.829 52.037 0.009 0.000 0.636 346 A CB -1.149 17.852 19.000 0.003 0.000 0.815 346 A HN 0.571 nan 8.150 nan 0.000 0.449 347 E N 0.075 120.314 120.200 0.066 0.000 2.396 347 E HA -0.141 4.192 4.350 -0.028 0.000 0.200 347 E C 1.581 178.274 176.600 0.155 0.000 1.023 347 E CA 1.359 57.839 56.400 0.132 0.000 0.857 347 E CB -0.155 29.612 29.700 0.110 0.000 0.775 347 E HN 0.700 nan 8.360 nan 0.000 0.525 348 K N -0.420 120.000 120.400 0.034 0.000 2.370 348 K HA 0.124 4.427 4.320 -0.028 0.000 0.194 348 K C 1.743 178.234 176.600 -0.182 0.000 1.070 348 K CA 0.216 56.436 56.287 -0.112 0.000 0.998 348 K CB 0.539 32.981 32.500 -0.095 0.000 0.911 348 K HN -0.042 nan 8.250 nan 0.000 0.533 349 V N 2.578 122.464 119.914 -0.046 0.000 2.250 349 V HA -0.359 3.744 4.120 -0.028 0.000 0.253 349 V C 2.218 178.269 176.094 -0.071 0.000 1.065 349 V CA 2.484 64.757 62.300 -0.045 0.000 1.039 349 V CB -0.956 30.874 31.823 0.013 0.000 0.647 349 V HN 0.369 nan 8.190 nan 0.000 0.446 350 F N 0.834 120.756 119.950 -0.047 0.000 2.115 350 F HA -0.222 4.291 4.527 -0.024 0.000 0.300 350 F C 2.044 177.807 175.800 -0.061 0.000 1.092 350 F CA 1.910 59.881 58.000 -0.049 0.000 1.245 350 F CB -1.175 37.803 39.000 -0.036 0.000 0.995 350 F HN 0.106 nan 8.300 nan 0.000 0.481 351 L N 0.758 121.348 121.223 -1.056 0.000 2.042 351 L HA -0.181 4.142 4.340 -0.028 0.000 0.210 351 L C 3.026 179.685 176.870 -0.352 0.000 1.076 351 L CA 1.268 55.693 54.840 -0.693 0.000 0.749 351 L CB -1.320 40.313 42.059 -0.710 0.000 0.893 351 L HN 0.409 nan 8.230 nan 0.000 0.432 352 A N -0.283 122.358 122.820 -0.298 0.000 1.841 352 A HA -0.287 4.016 4.320 -0.028 0.000 0.214 352 A C 2.270 179.727 177.584 -0.212 0.000 1.195 352 A CA 1.771 53.665 52.037 -0.238 0.000 0.611 352 A CB -0.787 18.098 19.000 -0.192 0.000 0.835 352 A HN 0.467 nan 8.150 nan 0.000 0.443 353 Q N -0.133 119.582 119.800 -0.142 0.000 2.082 353 Q HA -0.301 4.022 4.340 -0.028 0.000 0.211 353 Q C 2.020 177.959 176.000 -0.101 0.000 1.002 353 Q CA 2.538 58.283 55.803 -0.097 0.000 0.868 353 Q CB -0.210 28.511 28.738 -0.028 0.000 0.931 353 Q HN 0.675 nan 8.270 nan 0.000 0.414 354 K N -0.312 120.040 120.400 -0.080 0.000 2.057 354 K HA -0.131 4.171 4.320 -0.028 0.000 0.206 354 K C 2.239 178.767 176.600 -0.120 0.000 1.050 354 K CA 1.289 57.539 56.287 -0.062 0.000 0.935 354 K CB -0.239 32.262 32.500 0.002 0.000 0.715 354 K HN 0.361 nan 8.250 nan 0.000 0.439 355 M N 0.922 120.413 119.600 -0.181 0.000 2.065 355 M HA -0.193 4.270 4.480 -0.028 0.000 0.259 355 M C 2.017 178.123 176.300 -0.323 0.000 1.069 355 M CA 1.827 56.987 55.300 -0.235 0.000 1.110 355 M CB -0.281 32.155 32.600 -0.274 0.000 1.328 355 M HN 0.206 nan 8.290 nan 0.000 0.405 356 M N -0.373 118.979 119.600 -0.413 0.000 2.117 356 M HA -0.206 4.257 4.480 -0.028 0.000 0.262 356 M C 2.125 178.272 176.300 -0.254 0.000 1.065 356 M CA 1.444 56.389 55.300 -0.592 0.000 1.114 356 M CB -0.501 31.780 32.600 -0.531 0.000 1.361 356 M HN 0.285 nan 8.290 nan 0.000 0.408 357 I N -0.187 120.296 120.570 -0.145 0.000 2.202 357 I HA -0.176 3.977 4.170 -0.028 0.000 0.242 357 I C 2.657 178.744 176.117 -0.050 0.000 1.091 357 I CA 1.353 62.616 61.300 -0.061 0.000 1.368 357 I CB -1.209 36.764 38.000 -0.046 0.000 1.058 357 I HN 0.346 nan 8.210 nan 0.000 0.410 358 G N 0.921 109.676 108.800 -0.075 0.000 2.599 358 G HA2 -0.339 3.604 3.960 -0.028 0.000 0.219 358 G HA3 -0.339 3.604 3.960 -0.028 0.000 0.219 358 G C 1.771 176.649 174.900 -0.036 0.000 1.193 358 G CA 1.183 46.247 45.100 -0.059 0.000 0.778 358 G HN 0.254 nan 8.290 nan 0.000 0.589 359 R N -0.638 119.834 120.500 -0.047 0.000 2.080 359 R HA -0.078 4.245 4.340 -0.028 0.000 0.236 359 R C 2.825 179.185 176.300 0.099 0.000 1.137 359 R CA 1.724 57.848 56.100 0.039 0.000 0.943 359 R CB -0.894 29.454 30.300 0.081 0.000 0.846 359 R HN 0.456 nan 8.270 nan 0.000 0.431 360 C N 0.280 119.656 119.300 0.127 0.000 2.413 360 C HA -0.102 4.341 4.460 -0.028 0.000 0.277 360 C C 2.169 177.182 174.990 0.038 0.000 1.265 360 C CA 0.739 59.822 59.018 0.108 0.000 1.752 360 C CB -1.366 26.439 27.740 0.109 0.000 1.998 360 C HN 0.577 nan 8.230 nan 0.000 0.489 361 N N 0.609 119.319 118.700 0.017 0.000 2.058 361 N HA -0.144 4.579 4.740 -0.028 0.000 0.191 361 N C 1.704 177.204 175.510 -0.018 0.000 1.037 361 N CA 1.094 54.142 53.050 -0.005 0.000 0.848 361 N CB -0.276 38.207 38.487 -0.006 0.000 1.021 361 N HN 0.396 nan 8.380 nan 0.000 0.422 362 L N 1.147 122.365 121.223 -0.007 0.000 2.081 362 L HA -0.200 4.123 4.340 -0.028 0.000 0.212 362 L C 2.231 179.091 176.870 -0.017 0.000 1.080 362 L CA 1.372 56.206 54.840 -0.011 0.000 0.754 362 L CB -0.232 41.829 42.059 0.002 0.000 0.893 362 L HN 0.146 nan 8.230 nan 0.000 0.433 363 A N -1.239 121.581 122.820 -0.000 0.000 2.067 363 A HA 0.203 4.506 4.320 -0.028 0.000 0.217 363 A C 1.682 179.244 177.584 -0.036 0.000 1.156 363 A CA 0.850 52.882 52.037 -0.008 0.000 0.683 363 A CB -0.658 18.350 19.000 0.014 0.000 0.808 363 A HN 0.697 nan 8.150 nan 0.000 0.455 364 G N -0.813 107.957 108.800 -0.050 0.000 2.171 364 G HA2 -0.204 3.739 3.960 -0.028 0.000 0.238 364 G HA3 -0.204 3.739 3.960 -0.028 0.000 0.238 364 G C -0.118 174.758 174.900 -0.041 0.000 1.039 364 G CA 0.421 45.477 45.100 -0.073 0.000 0.759 364 G HN 0.575 nan 8.290 nan 0.000 0.501 365 K N 0.031 120.422 120.400 -0.016 0.000 2.371 365 K HA 0.471 4.774 4.320 -0.028 0.000 0.251 365 K C -2.821 173.786 176.600 0.011 0.000 0.934 365 K CA -2.231 54.053 56.287 -0.004 0.000 0.798 365 K CB 2.620 35.119 32.500 -0.002 0.000 1.204 365 K HN -0.099 nan 8.250 nan 0.000 0.427 366 P HA -0.106 nan 4.420 nan 0.000 0.263 366 P C -0.907 176.413 177.300 0.033 0.000 1.175 366 P CA -0.023 63.092 63.100 0.024 0.000 0.761 366 P CB 0.511 32.235 31.700 0.040 0.000 0.794 367 V N 4.781 124.710 119.914 0.025 0.000 2.709 367 V HA 0.458 4.561 4.120 -0.028 0.000 0.308 367 V C -0.929 175.161 176.094 -0.006 0.000 1.062 367 V CA -0.782 61.531 62.300 0.021 0.000 0.901 367 V CB 2.413 34.254 31.823 0.029 0.000 1.003 367 V HN 0.124 nan 8.190 nan 0.000 0.425 368 V N 5.855 125.746 119.914 -0.039 0.000 2.459 368 V HA 0.444 4.547 4.120 -0.028 0.000 0.295 368 V C 0.131 176.175 176.094 -0.082 0.000 1.029 368 V CA -0.565 61.689 62.300 -0.077 0.000 0.874 368 V CB 1.449 33.168 31.823 -0.174 0.000 0.985 368 V HN 1.045 nan 8.190 nan 0.000 0.438 369 C N 5.165 124.427 119.300 -0.062 0.000 2.330 369 C HA 0.893 5.336 4.460 -0.028 0.000 0.344 369 C C 0.478 175.427 174.990 -0.069 0.000 1.273 369 C CA 0.065 59.049 59.018 -0.057 0.000 1.879 369 C CB -0.329 27.392 27.740 -0.031 0.000 2.376 369 C HN 1.113 nan 8.230 nan 0.000 0.534 370 A N 3.996 126.772 122.820 -0.074 0.000 2.566 370 A HA 0.887 5.190 4.320 -0.028 0.000 0.292 370 A C -0.178 177.375 177.584 -0.052 0.000 1.112 370 A CA -0.148 51.843 52.037 -0.077 0.000 0.707 370 A CB 0.933 19.855 19.000 -0.130 0.000 1.302 370 A HN 1.378 nan 8.150 nan 0.000 0.409 371 T N 1.220 115.752 114.554 -0.037 0.000 0.609 371 T HA -0.102 4.231 4.350 -0.028 0.000 0.766 371 T C 0.144 174.839 174.700 -0.008 0.000 0.991 371 T CA 1.150 63.239 62.100 -0.020 0.000 4.041 371 T CB -1.164 67.686 68.868 -0.029 0.000 2.283 371 T HN 1.522 nan 8.240 nan 0.000 0.395 372 Q N 0.022 119.824 119.800 0.004 0.000 2.493 372 Q HA -0.236 4.087 4.340 -0.028 0.000 0.260 372 Q C 1.465 177.468 176.000 0.006 0.000 0.905 372 Q CA 1.442 57.249 55.803 0.008 0.000 1.140 372 Q CB -1.081 27.661 28.738 0.005 0.000 1.435 372 Q HN 0.854 nan 8.270 nan 0.000 0.581 373 M N -0.848 118.756 119.600 0.005 0.000 2.319 373 M HA -0.089 4.374 4.480 -0.028 0.000 0.265 373 M C 0.609 176.914 176.300 0.008 0.000 1.068 373 M CA 1.114 56.417 55.300 0.005 0.000 1.118 373 M CB 0.242 32.844 32.600 0.004 0.000 1.395 373 M HN 0.108 nan 8.290 nan 0.000 0.435 374 L N -0.428 120.803 121.223 0.014 0.000 3.165 374 L HA 0.199 4.522 4.340 -0.028 0.000 0.327 374 L C 1.113 177.996 176.870 0.023 0.000 1.294 374 L CA 0.163 55.013 54.840 0.016 0.000 0.838 374 L CB 0.043 42.114 42.059 0.021 0.000 1.274 374 L HN 0.058 nan 8.230 nan 0.000 0.590 375 E N -0.227 119.986 120.200 0.021 0.000 2.085 375 E HA -0.214 4.118 4.350 -0.028 0.000 0.194 375 E C 1.957 178.577 176.600 0.034 0.000 0.994 375 E CA 1.574 57.992 56.400 0.029 0.000 0.801 375 E CB 0.250 29.965 29.700 0.024 0.000 0.743 375 E HN 0.594 nan 8.360 nan 0.000 0.453 376 S N 0.890 116.603 115.700 0.022 0.000 2.420 376 S HA -0.178 4.275 4.470 -0.028 0.000 0.237 376 S C 1.957 176.578 174.600 0.034 0.000 1.023 376 S CA 1.079 59.292 58.200 0.022 0.000 0.991 376 S CB -0.355 62.848 63.200 0.005 0.000 0.792 376 S HN 0.205 nan 8.310 nan 0.000 0.488 377 M N 0.452 120.072 119.600 0.034 0.000 2.632 377 M HA 0.167 4.630 4.480 -0.028 0.000 0.256 377 M C 1.505 177.905 176.300 0.165 0.000 1.080 377 M CA 0.695 56.029 55.300 0.057 0.000 1.084 377 M CB -0.547 32.072 32.600 0.031 0.000 1.439 377 M HN 0.364 nan 8.290 nan 0.000 0.509 378 I N -0.487 120.157 120.570 0.124 0.000 2.916 378 I HA -0.211 3.942 4.170 -0.028 0.000 0.267 378 I C 1.735 177.950 176.117 0.164 0.000 1.263 378 I CA 1.033 62.408 61.300 0.124 0.000 1.471 378 I CB -0.101 37.942 38.000 0.072 0.000 1.089 378 I HN 0.250 nan 8.210 nan 0.000 0.468 379 T N -1.199 113.478 114.554 0.205 0.000 3.028 379 T HA 0.211 4.544 4.350 -0.028 0.000 0.262 379 T C 0.214 175.086 174.700 0.287 0.000 0.916 379 T CA -0.072 62.151 62.100 0.204 0.000 0.873 379 T CB 0.594 69.526 68.868 0.107 0.000 1.232 379 T HN 0.039 nan 8.240 nan 0.000 0.529 380 K N 1.288 121.800 120.400 0.187 0.000 2.435 380 K HA 0.449 4.752 4.320 -0.028 0.000 0.251 380 K C -2.486 173.788 176.600 -0.543 0.000 0.954 380 K CA -2.083 54.179 56.287 -0.041 0.000 0.820 380 K CB 2.257 34.729 32.500 -0.046 0.000 1.292 380 K HN -0.272 nan 8.250 nan 0.000 0.436 381 P HA 0.074 nan 4.420 nan 0.000 0.255 381 P C -0.613 176.396 177.300 -0.484 0.000 1.248 381 P CA 0.285 62.691 63.100 -1.156 0.000 0.807 381 P CB 0.535 31.702 31.700 -0.888 0.000 1.150 382 R N 0.387 120.708 120.500 -0.298 0.000 2.686 382 R HA 0.492 4.815 4.340 -0.028 0.000 0.283 382 R C -2.834 173.400 176.300 -0.110 0.000 0.978 382 R CA -2.415 53.587 56.100 -0.163 0.000 0.897 382 R CB 0.842 31.071 30.300 -0.117 0.000 1.192 382 R HN -0.044 nan 8.270 nan 0.000 0.457 383 P HA 0.299 nan 4.420 nan 0.000 0.276 383 P C -0.120 177.158 177.300 -0.037 0.000 1.252 383 P CA -0.487 62.586 63.100 -0.045 0.000 0.802 383 P CB 0.700 32.382 31.700 -0.030 0.000 1.035 384 M N 1.436 121.021 119.600 -0.025 0.000 2.247 384 M HA 0.203 4.665 4.480 -0.028 0.000 0.326 384 M C 1.761 178.050 176.300 -0.019 0.000 1.134 384 M CA -0.480 54.807 55.300 -0.021 0.000 1.136 384 M CB 0.352 32.943 32.600 -0.015 0.000 1.454 384 M HN 0.265 nan 8.290 nan 0.000 0.467 385 R N 1.072 121.561 120.500 -0.019 0.000 2.139 385 R HA -0.128 4.194 4.340 -0.028 0.000 0.243 385 R C 1.958 178.248 176.300 -0.018 0.000 1.145 385 R CA 1.780 57.868 56.100 -0.019 0.000 0.976 385 R CB -1.412 28.877 30.300 -0.019 0.000 0.866 385 R HN 0.864 nan 8.270 nan 0.000 0.449 386 A N 1.217 124.027 122.820 -0.017 0.000 1.897 386 A HA -0.144 4.159 4.320 -0.028 0.000 0.215 386 A C 2.078 179.654 177.584 -0.013 0.000 1.181 386 A CA 1.228 53.255 52.037 -0.017 0.000 0.620 386 A CB -0.315 18.675 19.000 -0.016 0.000 0.821 386 A HN 0.344 nan 8.150 nan 0.000 0.443 387 E N -0.891 119.303 120.200 -0.010 0.000 2.085 387 E HA -0.153 4.179 4.350 -0.028 0.000 0.194 387 E C 2.076 178.672 176.600 -0.006 0.000 0.994 387 E CA 1.641 58.037 56.400 -0.007 0.000 0.801 387 E CB -0.349 29.348 29.700 -0.005 0.000 0.743 387 E HN 0.548 nan 8.360 nan 0.000 0.453 388 T N 0.277 114.825 114.554 -0.009 0.000 2.607 388 T HA -0.227 4.106 4.350 -0.028 0.000 0.267 388 T C 2.142 176.837 174.700 -0.007 0.000 1.049 388 T CA 1.902 63.996 62.100 -0.009 0.000 1.162 388 T CB -0.366 68.494 68.868 -0.014 0.000 0.863 388 T HN 0.313 nan 8.240 nan 0.000 0.424 389 S N 0.821 116.515 115.700 -0.010 0.000 2.402 389 S HA -0.149 4.304 4.470 -0.028 0.000 0.229 389 S C 1.795 176.392 174.600 -0.006 0.000 1.021 389 S CA 1.782 59.977 58.200 -0.009 0.000 0.974 389 S CB -0.558 62.633 63.200 -0.015 0.000 0.800 389 S HN 0.477 nan 8.310 nan 0.000 0.484 390 D N 1.418 121.814 120.400 -0.007 0.000 2.103 390 D HA -0.128 4.495 4.640 -0.028 0.000 0.190 390 D C 1.895 178.196 176.300 0.002 0.000 0.997 390 D CA 1.852 55.851 54.000 -0.003 0.000 0.833 390 D CB -0.570 40.228 40.800 -0.003 0.000 0.961 390 D HN 0.289 nan 8.370 nan 0.000 0.447 391 V N 0.792 120.708 119.914 0.003 0.000 2.255 391 V HA -0.274 3.828 4.120 -0.028 0.000 0.247 391 V C 2.574 178.674 176.094 0.010 0.000 1.051 391 V CA 2.079 64.383 62.300 0.007 0.000 1.018 391 V CB -1.104 30.724 31.823 0.008 0.000 0.641 391 V HN 0.365 nan 8.190 nan 0.000 0.445 392 A N 0.370 123.195 122.820 0.009 0.000 1.883 392 A HA -0.264 4.039 4.320 -0.028 0.000 0.217 392 A C 2.085 179.682 177.584 0.022 0.000 1.186 392 A CA 2.161 54.207 52.037 0.015 0.000 0.624 392 A CB -0.766 18.241 19.000 0.012 0.000 0.822 392 A HN 0.620 nan 8.150 nan 0.000 0.444 393 N N 0.304 119.015 118.700 0.018 0.000 2.223 393 N HA -0.129 4.594 4.740 -0.028 0.000 0.185 393 N C 1.917 177.440 175.510 0.022 0.000 1.016 393 N CA 1.350 54.414 53.050 0.024 0.000 0.863 393 N CB -0.453 38.044 38.487 0.016 0.000 0.983 393 N HN 0.505 nan 8.380 nan 0.000 0.429 394 A N 0.966 123.795 122.820 0.015 0.000 1.883 394 A HA -0.110 4.193 4.320 -0.028 0.000 0.217 394 A C 2.552 180.145 177.584 0.014 0.000 1.186 394 A CA 1.411 53.454 52.037 0.011 0.000 0.624 394 A CB -0.786 18.217 19.000 0.005 0.000 0.822 394 A HN 0.113 nan 8.150 nan 0.000 0.444 395 V N -0.413 119.513 119.914 0.019 0.000 2.358 395 V HA -0.168 3.935 4.120 -0.028 0.000 0.246 395 V C 2.424 178.536 176.094 0.029 0.000 1.047 395 V CA 1.551 63.866 62.300 0.024 0.000 1.035 395 V CB -0.609 31.231 31.823 0.028 0.000 0.658 395 V HN 0.465 nan 8.190 nan 0.000 0.452 396 L N -0.208 121.037 121.223 0.037 0.000 2.217 396 L HA -0.081 4.242 4.340 -0.028 0.000 0.211 396 L C 2.123 179.014 176.870 0.035 0.000 1.107 396 L CA 1.624 56.494 54.840 0.050 0.000 0.783 396 L CB -1.282 40.825 42.059 0.079 0.000 0.919 396 L HN 0.346 nan 8.230 nan 0.000 0.442 397 D N -0.307 120.108 120.400 0.024 0.000 2.117 397 D HA -0.054 4.569 4.640 -0.028 0.000 0.197 397 D C 1.697 177.997 176.300 -0.001 0.000 0.987 397 D CA 1.648 55.654 54.000 0.009 0.000 0.829 397 D CB 0.242 41.047 40.800 0.008 0.000 0.961 397 D HN 0.415 nan 8.370 nan 0.000 0.460 398 G N -0.816 107.987 108.800 0.005 0.000 2.507 398 G HA2 0.040 3.983 3.960 -0.028 0.000 0.205 398 G HA3 0.040 3.983 3.960 -0.028 0.000 0.205 398 G C 0.274 175.178 174.900 0.006 0.000 0.996 398 G CA 0.153 45.256 45.100 0.005 0.000 0.776 398 G HN 0.506 nan 8.290 nan 0.000 0.532 399 A N 0.450 123.273 122.820 0.004 0.000 2.531 399 A HA 0.482 4.785 4.320 -0.028 0.000 0.236 399 A C 1.112 178.699 177.584 0.006 0.000 1.062 399 A CA 0.993 53.030 52.037 0.001 0.000 0.760 399 A CB 0.269 19.267 19.000 -0.002 0.000 0.995 399 A HN 0.226 nan 8.150 nan 0.000 0.501 400 D N 0.248 120.652 120.400 0.005 0.000 2.213 400 D HA 0.048 4.671 4.640 -0.028 0.000 0.205 400 D C -0.021 176.285 176.300 0.011 0.000 0.961 400 D CA 1.164 55.168 54.000 0.007 0.000 0.853 400 D CB 0.217 41.023 40.800 0.010 0.000 0.967 400 D HN 0.545 nan 8.370 nan 0.000 0.496 401 C N 0.969 120.274 119.300 0.008 0.000 2.797 401 C HA 0.622 5.065 4.460 -0.028 0.000 0.306 401 C C -0.167 174.820 174.990 -0.004 0.000 1.207 401 C CA -1.051 57.974 59.018 0.011 0.000 1.507 401 C CB 2.009 29.765 27.740 0.028 0.000 2.028 401 C HN 0.176 nan 8.230 nan 0.000 0.475 402 I N 0.169 120.741 120.570 0.004 0.000 2.892 402 I HA 0.849 5.002 4.170 -0.028 0.000 0.306 402 I C -1.002 175.116 176.117 0.001 0.000 1.078 402 I CA -0.882 60.416 61.300 -0.004 0.000 1.032 402 I CB 1.988 39.992 38.000 0.008 0.000 1.229 402 I HN 0.758 nan 8.210 nan 0.000 0.435 403 M N 3.881 123.477 119.600 -0.006 0.000 2.618 403 M HA 0.658 5.121 4.480 -0.028 0.000 0.281 403 M C -2.261 174.046 176.300 0.012 0.000 1.267 403 M CA -0.679 54.621 55.300 0.000 0.000 0.845 403 M CB 3.035 35.611 32.600 -0.040 0.000 1.732 403 M HN 0.665 nan 8.290 nan 0.000 0.461 404 L N 1.138 122.378 121.223 0.029 0.000 2.408 404 L HA 0.542 4.865 4.340 -0.028 0.000 0.268 404 L C -0.332 176.566 176.870 0.048 0.000 0.986 404 L CA -0.330 54.532 54.840 0.037 0.000 0.820 404 L CB 2.351 44.437 42.059 0.045 0.000 1.303 404 L HN 0.783 nan 8.230 nan 0.000 0.411 405 S N 0.936 116.663 115.700 0.045 0.000 2.910 405 S HA 0.151 4.603 4.470 -0.028 0.000 0.167 405 S C 1.595 176.229 174.600 0.056 0.000 0.681 405 S CA 0.461 58.695 58.200 0.056 0.000 0.828 405 S CB -0.241 62.989 63.200 0.050 0.000 0.739 405 S HN 0.875 nan 8.310 nan 0.000 0.611 406 G N 1.414 110.242 108.800 0.047 0.000 2.422 406 G HA2 -0.189 3.754 3.960 -0.028 0.000 0.218 406 G HA3 -0.189 3.754 3.960 -0.028 0.000 0.218 406 G C 1.042 175.971 174.900 0.048 0.000 1.146 406 G CA 1.130 46.254 45.100 0.040 0.000 0.769 406 G HN 0.520 nan 8.290 nan 0.000 0.547 407 E N 0.197 120.429 120.200 0.053 0.000 2.187 407 E HA -0.152 4.181 4.350 -0.028 0.000 0.199 407 E C 2.651 179.292 176.600 0.068 0.000 1.004 407 E CA 1.974 58.413 56.400 0.066 0.000 0.813 407 E CB -0.315 29.422 29.700 0.062 0.000 0.736 407 E HN 0.641 nan 8.360 nan 0.000 0.468 408 T N -3.499 111.091 114.554 0.060 0.000 2.978 408 T HA 0.423 4.756 4.350 -0.028 0.000 0.248 408 T C 1.900 176.632 174.700 0.053 0.000 1.018 408 T CA 0.181 62.315 62.100 0.058 0.000 1.026 408 T CB 0.171 69.074 68.868 0.059 0.000 1.032 408 T HN 0.153 nan 8.240 nan 0.000 0.485 409 A N 2.565 125.418 122.820 0.055 0.000 1.930 409 A HA 0.175 4.478 4.320 -0.028 0.000 0.215 409 A C 2.058 179.662 177.584 0.034 0.000 1.176 409 A CA 1.155 53.225 52.037 0.056 0.000 0.632 409 A CB -0.170 18.870 19.000 0.067 0.000 0.819 409 A HN 0.600 nan 8.150 nan 0.000 0.445 410 K N -1.564 118.849 120.400 0.022 0.000 2.548 410 K HA 0.267 4.570 4.320 -0.028 0.000 0.209 410 K C 1.140 177.740 176.600 -0.001 0.000 1.420 410 K CA 0.324 56.612 56.287 0.003 0.000 0.985 410 K CB -0.037 32.456 32.500 -0.012 0.000 1.249 410 K HN 0.274 nan 8.250 nan 0.000 0.557 411 G N 1.429 110.239 108.800 0.016 0.000 2.750 411 G HA2 -0.072 3.871 3.960 -0.028 0.000 0.250 411 G HA3 -0.072 3.871 3.960 -0.028 0.000 0.250 411 G C 0.147 175.026 174.900 -0.035 0.000 1.230 411 G CA -0.320 44.792 45.100 0.020 0.000 0.883 411 G HN 0.120 nan 8.290 nan 0.000 0.573 412 N N -0.915 117.732 118.700 -0.089 0.000 2.398 412 N HA 0.046 4.769 4.740 -0.028 0.000 0.188 412 N C -0.183 174.942 175.510 -0.642 0.000 1.122 412 N CA 0.438 53.279 53.050 -0.349 0.000 0.866 412 N CB 0.273 38.494 38.487 -0.444 0.000 0.970 412 N HN 0.389 nan 8.380 nan 0.000 0.462 413 F N 0.519 120.477 119.950 0.013 0.000 2.577 413 F HA 0.323 4.833 4.527 -0.027 0.000 0.342 413 F C -1.554 174.256 175.800 0.018 0.000 1.479 413 F CA -1.650 56.359 58.000 0.015 0.000 1.110 413 F CB 1.631 40.640 39.000 0.015 0.000 1.306 413 F HN -0.120 nan 8.300 nan 0.000 0.554 414 P HA -0.143 nan 4.420 nan 0.000 0.213 414 P C 1.791 179.147 177.300 0.093 0.000 1.170 414 P CA 1.392 64.545 63.100 0.088 0.000 0.893 414 P CB 0.268 31.996 31.700 0.047 0.000 0.784 415 V N 0.638 120.603 119.914 0.085 0.000 2.332 415 V HA -0.234 3.869 4.120 -0.028 0.000 0.248 415 V C 2.535 178.685 176.094 0.094 0.000 1.055 415 V CA 2.263 64.609 62.300 0.077 0.000 1.038 415 V CB -1.771 30.093 31.823 0.068 0.000 0.651 415 V HN 0.057 nan 8.190 nan 0.000 0.450 416 E N 0.861 121.146 120.200 0.142 0.000 2.077 416 E HA -0.139 4.194 4.350 -0.028 0.000 0.193 416 E C 2.292 178.941 176.600 0.081 0.000 0.989 416 E CA 1.514 57.984 56.400 0.118 0.000 0.800 416 E CB -0.707 29.079 29.700 0.144 0.000 0.746 416 E HN 0.594 nan 8.360 nan 0.000 0.452 417 A N 0.532 123.413 122.820 0.101 0.000 1.883 417 A HA -0.194 4.109 4.320 -0.028 0.000 0.217 417 A C 2.502 180.125 177.584 0.065 0.000 1.186 417 A CA 1.651 53.732 52.037 0.074 0.000 0.624 417 A CB -0.919 18.133 19.000 0.087 0.000 0.822 417 A HN 0.149 nan 8.150 nan 0.000 0.444 418 V N 0.149 120.103 119.914 0.066 0.000 2.255 418 V HA -0.339 3.764 4.120 -0.028 0.000 0.247 418 V C 2.473 178.612 176.094 0.076 0.000 1.051 418 V CA 2.508 64.843 62.300 0.058 0.000 1.018 418 V CB -0.791 31.055 31.823 0.039 0.000 0.641 418 V HN 0.570 nan 8.190 nan 0.000 0.445 419 K N -0.892 119.551 120.400 0.072 0.000 2.077 419 K HA -0.329 3.974 4.320 -0.028 0.000 0.213 419 K C 2.163 178.835 176.600 0.120 0.000 1.051 419 K CA 2.478 58.823 56.287 0.096 0.000 0.929 419 K CB -0.347 32.196 32.500 0.072 0.000 0.715 419 K HN 0.358 nan 8.250 nan 0.000 0.451 420 M N 1.237 120.882 119.600 0.075 0.000 2.117 420 M HA -0.204 4.259 4.480 -0.028 0.000 0.262 420 M C 1.973 178.306 176.300 0.055 0.000 1.065 420 M CA 1.664 56.995 55.300 0.051 0.000 1.114 420 M CB -0.013 32.600 32.600 0.023 0.000 1.361 420 M HN 0.091 nan 8.290 nan 0.000 0.408 421 Q N -1.382 118.458 119.800 0.068 0.000 2.084 421 Q HA -0.264 4.059 4.340 -0.028 0.000 0.202 421 Q C 2.104 178.155 176.000 0.085 0.000 0.978 421 Q CA 1.991 57.832 55.803 0.063 0.000 0.844 421 Q CB -0.483 28.291 28.738 0.061 0.000 0.898 421 Q HN 0.716 nan 8.270 nan 0.000 0.426 422 H N 0.450 119.536 119.070 0.026 0.000 2.289 422 H HA -0.143 4.397 4.556 -0.027 0.000 0.296 422 H C 1.822 177.171 175.328 0.035 0.000 1.091 422 H CA 2.245 58.313 56.048 0.033 0.000 1.274 422 H CB -0.250 29.532 29.762 0.033 0.000 1.364 422 H HN 0.244 nan 8.280 nan 0.000 0.490 423 A N 0.803 123.583 122.820 -0.067 0.000 1.877 423 A HA -0.100 4.203 4.320 -0.028 0.000 0.216 423 A C 2.669 180.193 177.584 -0.099 0.000 1.186 423 A CA 1.768 53.731 52.037 -0.124 0.000 0.620 423 A CB -0.871 18.124 19.000 -0.008 0.000 0.822 423 A HN 0.546 nan 8.150 nan 0.000 0.443 424 I N -0.200 120.345 120.570 -0.043 0.000 2.286 424 I HA -0.271 3.882 4.170 -0.028 0.000 0.248 424 I C 2.907 179.005 176.117 -0.031 0.000 1.115 424 I CA 1.098 62.381 61.300 -0.028 0.000 1.392 424 I CB -0.512 37.483 38.000 -0.008 0.000 1.065 424 I HN 0.353 nan 8.210 nan 0.000 0.418 425 A N 1.058 123.856 122.820 -0.037 0.000 1.898 425 A HA -0.157 4.146 4.320 -0.028 0.000 0.216 425 A C 2.444 180.013 177.584 -0.026 0.000 1.181 425 A CA 1.146 53.174 52.037 -0.015 0.000 0.620 425 A CB -0.507 18.501 19.000 0.013 0.000 0.819 425 A HN 0.283 nan 8.150 nan 0.000 0.442 426 R N -0.314 120.131 120.500 -0.093 0.000 2.117 426 R HA -0.139 4.184 4.340 -0.028 0.000 0.243 426 R C 1.929 178.218 176.300 -0.019 0.000 1.143 426 R CA 1.487 57.545 56.100 -0.070 0.000 0.968 426 R CB -0.344 29.864 30.300 -0.153 0.000 0.863 426 R HN 0.570 nan 8.270 nan 0.000 0.444 427 E N 0.380 120.565 120.200 -0.026 0.000 2.072 427 E HA -0.092 4.241 4.350 -0.028 0.000 0.190 427 E C 2.006 178.617 176.600 0.019 0.000 0.982 427 E CA 1.145 57.542 56.400 -0.004 0.000 0.803 427 E CB -0.177 29.515 29.700 -0.013 0.000 0.755 427 E HN 0.296 nan 8.360 nan 0.000 0.453 428 A N 1.383 124.215 122.820 0.020 0.000 1.930 428 A HA -0.197 4.106 4.320 -0.028 0.000 0.217 428 A C 2.040 179.659 177.584 0.058 0.000 1.175 428 A CA 1.497 53.557 52.037 0.038 0.000 0.627 428 A CB -0.461 18.558 19.000 0.032 0.000 0.815 428 A HN 0.181 nan 8.150 nan 0.000 0.443 429 E N -0.315 119.920 120.200 0.059 0.000 2.118 429 E HA -0.143 4.190 4.350 -0.028 0.000 0.195 429 E C 2.144 178.826 176.600 0.136 0.000 0.992 429 E CA 1.171 57.626 56.400 0.091 0.000 0.804 429 E CB -0.239 29.517 29.700 0.094 0.000 0.741 429 E HN 0.632 nan 8.360 nan 0.000 0.458 430 A N 0.569 123.460 122.820 0.118 0.000 2.067 430 A HA 0.099 4.402 4.320 -0.028 0.000 0.217 430 A C 2.176 179.853 177.584 0.155 0.000 1.156 430 A CA 1.129 53.254 52.037 0.146 0.000 0.683 430 A CB -0.170 18.886 19.000 0.094 0.000 0.808 430 A HN 0.270 nan 8.150 nan 0.000 0.455 431 A N -0.519 122.373 122.820 0.121 0.000 2.167 431 A HA 0.342 4.645 4.320 -0.028 0.000 0.214 431 A C 0.919 178.647 177.584 0.240 0.000 1.151 431 A CA 0.161 52.289 52.037 0.152 0.000 0.735 431 A CB -0.505 18.552 19.000 0.095 0.000 0.802 431 A HN 0.231 nan 8.150 nan 0.000 0.467 432 V N 0.969 120.946 119.914 0.105 0.000 2.509 432 V HA -0.136 3.967 4.120 -0.028 0.000 0.297 432 V C 0.599 176.659 176.094 -0.057 0.000 1.014 432 V CA 0.249 62.522 62.300 -0.046 0.000 1.127 432 V CB -0.360 31.286 31.823 -0.295 0.000 0.925 432 V HN 0.503 nan 8.190 nan 0.000 0.480 433 Y N 6.901 127.063 120.300 -0.230 0.000 2.758 433 Y HA 0.076 4.619 4.550 -0.011 0.000 0.351 433 Y C 1.778 177.608 175.900 -0.117 0.000 1.214 433 Y CA -0.512 57.417 58.100 -0.286 0.000 1.983 433 Y CB -1.101 37.066 38.460 -0.488 0.000 2.062 433 Y HN 0.747 nan 8.280 nan 0.000 0.416 434 H N 1.395 120.539 119.070 0.123 0.000 2.400 434 H HA -0.301 4.239 4.556 -0.026 0.000 0.295 434 H C 2.318 177.538 175.328 -0.179 0.000 1.118 434 H CA 1.983 58.056 56.048 0.040 0.000 1.256 434 H CB 0.094 29.963 29.762 0.179 0.000 1.365 434 H HN 0.519 nan 8.280 nan 0.000 0.502 435 R N 1.061 121.431 120.500 -0.217 0.000 2.097 435 R HA -0.214 4.109 4.340 -0.028 0.000 0.236 435 R C 2.465 178.476 176.300 -0.482 0.000 1.135 435 R CA 2.191 58.060 56.100 -0.384 0.000 0.934 435 R CB -0.233 29.839 30.300 -0.379 0.000 0.846 435 R HN 0.396 nan 8.270 nan 0.000 0.431 436 Q N -0.025 119.259 119.800 -0.861 0.000 2.119 436 Q HA -0.159 4.164 4.340 -0.028 0.000 0.201 436 Q C 2.183 178.040 176.000 -0.237 0.000 0.972 436 Q CA 1.430 56.938 55.803 -0.493 0.000 0.847 436 Q CB -0.044 28.443 28.738 -0.418 0.000 0.903 436 Q HN 0.375 nan 8.270 nan 0.000 0.433 437 L N -0.022 121.098 121.223 -0.172 0.000 2.005 437 L HA -0.100 4.223 4.340 -0.028 0.000 0.207 437 L C 2.041 178.959 176.870 0.080 0.000 1.072 437 L CA 1.711 56.533 54.840 -0.029 0.000 0.744 437 L CB -0.964 41.097 42.059 0.003 0.000 0.895 437 L HN 0.304 nan 8.230 nan 0.000 0.433 438 F N 0.939 120.857 119.950 -0.053 0.000 2.126 438 F HA -0.201 4.307 4.527 -0.031 0.000 0.299 438 F C 2.360 178.128 175.800 -0.053 0.000 1.096 438 F CA 2.012 60.002 58.000 -0.016 0.000 1.255 438 F CB -0.540 38.371 39.000 -0.148 0.000 0.997 438 F HN 0.298 nan 8.300 nan 0.000 0.479 439 E N 0.010 120.074 120.200 -0.228 0.000 2.049 439 E HA -0.261 4.072 4.350 -0.028 0.000 0.198 439 E C 2.191 178.654 176.600 -0.228 0.000 1.007 439 E CA 1.871 58.085 56.400 -0.311 0.000 0.809 439 E CB -0.291 29.279 29.700 -0.217 0.000 0.749 439 E HN 0.574 nan 8.360 nan 0.000 0.450 440 E N 0.422 120.540 120.200 -0.136 0.000 2.077 440 E HA -0.180 4.153 4.350 -0.028 0.000 0.193 440 E C 2.329 178.897 176.600 -0.053 0.000 0.989 440 E CA 0.740 57.087 56.400 -0.089 0.000 0.800 440 E CB -0.101 29.555 29.700 -0.073 0.000 0.746 440 E HN 0.232 nan 8.360 nan 0.000 0.452 441 L N 0.620 121.840 121.223 -0.004 0.000 2.012 441 L HA -0.211 4.112 4.340 -0.028 0.000 0.210 441 L C 2.656 179.575 176.870 0.081 0.000 1.073 441 L CA 1.294 56.179 54.840 0.074 0.000 0.748 441 L CB -0.490 41.689 42.059 0.200 0.000 0.891 441 L HN 0.055 nan 8.230 nan 0.000 0.431 442 R N -0.157 120.305 120.500 -0.064 0.000 2.096 442 R HA -0.209 4.114 4.340 -0.028 0.000 0.240 442 R C 2.433 178.689 176.300 -0.074 0.000 1.139 442 R CA 1.618 57.639 56.100 -0.132 0.000 0.952 442 R CB -0.421 29.611 30.300 -0.447 0.000 0.854 442 R HN 0.290 nan 8.270 nan 0.000 0.436 443 R N -0.172 120.266 120.500 -0.103 0.000 2.237 443 R HA -0.057 4.266 4.340 -0.028 0.000 0.219 443 R C 1.611 177.889 176.300 -0.036 0.000 1.080 443 R CA 1.196 57.251 56.100 -0.076 0.000 0.995 443 R CB 0.141 30.388 30.300 -0.089 0.000 0.875 443 R HN 0.229 nan 8.270 nan 0.000 0.462 444 A N -0.337 122.474 122.820 -0.016 0.000 2.127 444 A HA 0.413 4.716 4.320 -0.028 0.000 0.204 444 A C 0.656 178.249 177.584 0.016 0.000 1.243 444 A CA 0.195 52.229 52.037 -0.004 0.000 0.887 444 A CB 0.313 19.308 19.000 -0.010 0.000 0.933 444 A HN 0.273 nan 8.150 nan 0.000 0.479 445 A N 2.341 125.189 122.820 0.045 0.000 2.520 445 A HA 0.508 4.811 4.320 -0.028 0.000 0.245 445 A C -2.040 175.579 177.584 0.057 0.000 1.072 445 A CA -0.803 51.275 52.037 0.069 0.000 0.761 445 A CB -0.449 18.645 19.000 0.157 0.000 1.004 445 A HN 0.347 nan 8.150 nan 0.000 0.499 446 P HA 0.288 nan 4.420 nan 0.000 0.277 446 P C 0.099 177.423 177.300 0.041 0.000 1.240 446 P CA -0.404 62.715 63.100 0.031 0.000 0.798 446 P CB 0.533 32.247 31.700 0.024 0.000 0.979 447 L N 0.504 121.743 121.223 0.028 0.000 2.456 447 L HA 0.096 4.419 4.340 -0.028 0.000 0.291 447 L C 1.162 178.055 176.870 0.039 0.000 1.299 447 L CA 0.982 55.840 54.840 0.029 0.000 0.822 447 L CB -0.545 41.525 42.059 0.017 0.000 1.070 447 L HN 0.584 nan 8.230 nan 0.000 0.576 448 S N -1.038 114.686 115.700 0.040 0.000 2.578 448 S HA 0.406 4.859 4.470 -0.028 0.000 0.272 448 S C -0.310 174.314 174.600 0.041 0.000 1.145 448 S CA -0.796 57.430 58.200 0.045 0.000 0.835 448 S CB 1.693 64.932 63.200 0.065 0.000 1.104 448 S HN 0.654 nan 8.310 nan 0.000 0.458 449 R N 0.481 121.004 120.500 0.038 0.000 2.531 449 R HA 0.216 4.539 4.340 -0.028 0.000 0.316 449 R C -0.800 175.525 176.300 0.043 0.000 0.955 449 R CA -0.174 55.947 56.100 0.036 0.000 1.120 449 R CB 0.290 30.607 30.300 0.027 0.000 1.361 449 R HN 0.661 nan 8.270 nan 0.000 0.534 450 D N 1.278 121.706 120.400 0.046 0.000 2.346 450 D HA 0.046 4.669 4.640 -0.028 0.000 0.260 450 D C -1.710 174.631 176.300 0.067 0.000 1.252 450 D CA -2.103 51.928 54.000 0.051 0.000 0.895 450 D CB 1.616 42.442 40.800 0.043 0.000 1.097 450 D HN -0.072 nan 8.370 nan 0.000 0.489 451 P HA -0.164 nan 4.420 nan 0.000 0.217 451 P C 1.193 178.555 177.300 0.105 0.000 1.151 451 P CA 1.356 64.516 63.100 0.101 0.000 0.849 451 P CB 0.222 32.010 31.700 0.146 0.000 0.787 452 T N -0.781 113.830 114.554 0.095 0.000 2.674 452 T HA -0.168 4.165 4.350 -0.028 0.000 0.265 452 T C 1.661 176.419 174.700 0.097 0.000 1.039 452 T CA 1.241 63.395 62.100 0.089 0.000 1.150 452 T CB -0.665 68.241 68.868 0.063 0.000 0.864 452 T HN 0.292 nan 8.240 nan 0.000 0.427 453 E N 0.360 120.619 120.200 0.099 0.000 2.077 453 E HA -0.109 4.224 4.350 -0.028 0.000 0.193 453 E C 2.425 179.105 176.600 0.133 0.000 0.989 453 E CA 1.006 57.489 56.400 0.138 0.000 0.800 453 E CB -0.238 29.546 29.700 0.139 0.000 0.746 453 E HN 0.261 nan 8.360 nan 0.000 0.452 454 V N 1.268 121.238 119.914 0.094 0.000 2.255 454 V HA -0.303 3.800 4.120 -0.028 0.000 0.247 454 V C 2.397 178.528 176.094 0.061 0.000 1.051 454 V CA 2.312 64.652 62.300 0.067 0.000 1.018 454 V CB -1.005 30.852 31.823 0.057 0.000 0.641 454 V HN 0.342 nan 8.190 nan 0.000 0.445 455 T N 0.554 115.153 114.554 0.076 0.000 2.652 455 T HA -0.234 4.099 4.350 -0.028 0.000 0.267 455 T C 2.101 176.841 174.700 0.067 0.000 1.039 455 T CA 1.823 63.966 62.100 0.071 0.000 1.153 455 T CB -0.679 68.240 68.868 0.085 0.000 0.863 455 T HN 0.590 nan 8.240 nan 0.000 0.428 456 A N 1.480 124.358 122.820 0.096 0.000 1.881 456 A HA -0.163 4.140 4.320 -0.028 0.000 0.219 456 A C 2.347 179.978 177.584 0.078 0.000 1.215 456 A CA 1.940 54.050 52.037 0.122 0.000 0.648 456 A CB -1.110 18.013 19.000 0.206 0.000 0.832 456 A HN 0.539 nan 8.150 nan 0.000 0.455 457 I N -0.790 119.784 120.570 0.006 0.000 2.286 457 I HA -0.177 3.976 4.170 -0.028 0.000 0.248 457 I C 2.344 178.429 176.117 -0.053 0.000 1.115 457 I CA 1.488 62.663 61.300 -0.208 0.000 1.392 457 I CB -0.531 37.209 38.000 -0.434 0.000 1.065 457 I HN 0.390 nan 8.210 nan 0.000 0.418 458 G N 0.149 108.944 108.800 -0.008 0.000 2.402 458 G HA2 -0.249 3.694 3.960 -0.028 0.000 0.216 458 G HA3 -0.249 3.694 3.960 -0.028 0.000 0.216 458 G C 1.764 176.674 174.900 0.017 0.000 1.162 458 G CA 0.692 45.803 45.100 0.017 0.000 0.777 458 G HN 0.538 nan 8.290 nan 0.000 0.539 459 A N 0.095 122.923 122.820 0.012 0.000 1.933 459 A HA 0.069 4.371 4.320 -0.028 0.000 0.218 459 A C 2.573 180.134 177.584 -0.038 0.000 1.175 459 A CA 1.816 53.851 52.037 -0.004 0.000 0.628 459 A CB -0.559 18.445 19.000 0.007 0.000 0.814 459 A HN 0.260 nan 8.150 nan 0.000 0.444 460 V N -0.181 119.710 119.914 -0.039 0.000 2.453 460 V HA -0.195 3.907 4.120 -0.028 0.000 0.247 460 V C 2.546 178.586 176.094 -0.090 0.000 1.048 460 V CA 2.293 64.520 62.300 -0.122 0.000 1.049 460 V CB -0.513 31.247 31.823 -0.105 0.000 0.672 460 V HN 0.754 nan 8.190 nan 0.000 0.457 461 E N 0.966 121.191 120.200 0.042 0.000 2.072 461 E HA -0.157 4.176 4.350 -0.028 0.000 0.191 461 E C 2.145 178.810 176.600 0.108 0.000 0.985 461 E CA 1.617 58.115 56.400 0.163 0.000 0.801 461 E CB -0.458 29.355 29.700 0.188 0.000 0.750 461 E HN 0.480 nan 8.360 nan 0.000 0.452 462 A N 1.089 123.934 122.820 0.040 0.000 1.883 462 A HA -0.140 4.163 4.320 -0.028 0.000 0.217 462 A C 2.501 180.077 177.584 -0.014 0.000 1.186 462 A CA 2.378 54.426 52.037 0.018 0.000 0.624 462 A CB -1.277 17.724 19.000 0.002 0.000 0.822 462 A HN 0.426 nan 8.150 nan 0.000 0.444 463 A N -1.149 121.620 122.820 -0.085 0.000 1.892 463 A HA -0.130 4.173 4.320 -0.028 0.000 0.218 463 A C 2.037 179.511 177.584 -0.184 0.000 1.188 463 A CA 1.708 53.637 52.037 -0.180 0.000 0.631 463 A CB -0.878 17.933 19.000 -0.314 0.000 0.822 463 A HN 0.525 nan 8.150 nan 0.000 0.447 464 F N -0.334 119.539 119.950 -0.129 0.000 2.216 464 F HA -0.129 4.381 4.527 -0.028 0.000 0.300 464 F C 2.306 178.073 175.800 -0.054 0.000 1.085 464 F CA 1.700 59.631 58.000 -0.115 0.000 1.326 464 F CB -0.019 38.899 39.000 -0.136 0.000 1.027 464 F HN 0.159 nan 8.300 nan 0.000 0.497 465 K N 0.600 121.090 120.400 0.151 0.000 2.147 465 K HA -0.156 4.147 4.320 -0.028 0.000 0.205 465 K C 1.455 178.089 176.600 0.056 0.000 1.049 465 K CA 1.583 57.928 56.287 0.097 0.000 0.936 465 K CB -0.356 32.187 32.500 0.071 0.000 0.722 465 K HN 0.417 nan 8.250 nan 0.000 0.446 466 C N -1.803 117.513 119.300 0.026 0.000 2.760 466 C HA 0.450 4.893 4.460 -0.028 0.000 0.293 466 C C 0.455 175.441 174.990 -0.008 0.000 1.383 466 C CA -1.124 57.898 59.018 0.008 0.000 1.771 466 C CB -1.962 25.776 27.740 -0.003 0.000 2.353 466 C HN 0.427 nan 8.230 nan 0.000 0.578 467 C N 2.246 121.542 119.300 -0.007 0.000 3.744 467 C HA -0.005 4.438 4.460 -0.028 0.000 0.288 467 C C 1.533 176.483 174.990 -0.067 0.000 1.423 467 C CA 0.605 59.601 59.018 -0.036 0.000 2.060 467 C CB -3.274 24.462 27.740 -0.007 0.000 1.337 467 C HN 1.101 nan 8.230 nan 0.000 0.640 468 A N 0.200 122.964 122.820 -0.094 0.000 2.555 468 A HA 0.459 4.762 4.320 -0.028 0.000 0.233 468 A C 1.332 178.854 177.584 -0.103 0.000 1.060 468 A CA 0.818 52.801 52.037 -0.090 0.000 0.759 468 A CB 0.284 19.223 19.000 -0.103 0.000 0.995 468 A HN 1.715 nan 8.150 nan 0.000 0.506 469 A N 1.363 124.139 122.820 -0.072 0.000 1.975 469 A HA 0.519 4.822 4.320 -0.028 0.000 0.215 469 A C 1.117 178.647 177.584 -0.091 0.000 1.170 469 A CA 1.575 53.572 52.037 -0.067 0.000 0.656 469 A CB -0.282 18.701 19.000 -0.028 0.000 0.821 469 A HN 2.312 nan 8.150 nan 0.000 0.449 470 A N -1.061 121.708 122.820 -0.085 0.000 2.594 470 A HA 0.650 4.953 4.320 -0.028 0.000 0.295 470 A C -1.168 176.370 177.584 -0.077 0.000 1.071 470 A CA -0.516 51.467 52.037 -0.089 0.000 0.685 470 A CB 0.643 19.605 19.000 -0.062 0.000 1.285 470 A HN 0.201 nan 8.150 nan 0.000 0.405 471 I N 1.758 122.284 120.570 -0.074 0.000 2.321 471 I HA 0.384 4.537 4.170 -0.028 0.000 0.291 471 I C -0.662 175.443 176.117 -0.019 0.000 0.998 471 I CA -0.200 61.071 61.300 -0.050 0.000 1.227 471 I CB 1.376 39.342 38.000 -0.057 0.000 1.368 471 I HN 0.459 nan 8.210 nan 0.000 0.466 472 I N 7.292 127.857 120.570 -0.008 0.000 2.330 472 I HA 0.328 4.481 4.170 -0.028 0.000 0.289 472 I C -0.515 175.609 176.117 0.011 0.000 1.001 472 I CA -0.691 60.615 61.300 0.010 0.000 1.193 472 I CB 1.315 39.320 38.000 0.009 0.000 1.345 472 I HN 0.244 nan 8.210 nan 0.000 0.461 473 V N 6.215 126.142 119.914 0.020 0.000 2.628 473 V HA 0.445 4.547 4.120 -0.028 0.000 0.306 473 V C -0.280 175.826 176.094 0.020 0.000 1.045 473 V CA -0.966 61.346 62.300 0.020 0.000 0.905 473 V CB 1.751 33.589 31.823 0.024 0.000 0.997 473 V HN 0.341 nan 8.190 nan 0.000 0.436 474 L N 3.376 124.604 121.223 0.009 0.000 2.281 474 L HA 0.660 4.983 4.340 -0.028 0.000 0.285 474 L C 0.431 177.316 176.870 0.026 0.000 1.074 474 L CA 0.883 55.725 54.840 0.004 0.000 0.817 474 L CB 1.170 43.213 42.059 -0.026 0.000 1.168 474 L HN 0.965 nan 8.230 nan 0.000 0.434 475 T N 0.822 115.393 114.554 0.028 0.000 2.912 475 T HA 0.439 4.771 4.350 -0.028 0.000 0.299 475 T C 0.683 175.402 174.700 0.032 0.000 1.052 475 T CA -0.323 61.795 62.100 0.031 0.000 0.996 475 T CB 1.280 70.162 68.868 0.023 0.000 1.070 475 T HN 0.640 nan 8.240 nan 0.000 0.465 476 T N 1.762 116.334 114.554 0.030 0.000 3.023 476 T HA 0.102 4.435 4.350 -0.028 0.000 0.249 476 T C 1.700 176.410 174.700 0.017 0.000 1.050 476 T CA 0.989 63.106 62.100 0.028 0.000 1.088 476 T CB 0.109 68.996 68.868 0.031 0.000 0.946 476 T HN 0.813 nan 8.240 nan 0.000 0.480 477 T N -2.090 112.469 114.554 0.008 0.000 3.058 477 T HA 0.500 4.832 4.350 -0.028 0.000 0.278 477 T C 1.741 176.440 174.700 -0.001 0.000 0.974 477 T CA 0.767 62.868 62.100 0.001 0.000 0.893 477 T CB 0.476 69.340 68.868 -0.007 0.000 1.138 477 T HN 0.400 nan 8.240 nan 0.000 0.529 478 G N 2.142 110.942 108.800 0.001 0.000 2.217 478 G HA2 -0.354 3.589 3.960 -0.028 0.000 0.246 478 G HA3 -0.354 3.589 3.960 -0.028 0.000 0.246 478 G C 0.966 175.863 174.900 -0.004 0.000 0.990 478 G CA 0.596 45.692 45.100 -0.006 0.000 0.627 478 G HN 0.639 nan 8.290 nan 0.000 0.522 479 R N 1.020 121.518 120.500 -0.004 0.000 2.091 479 R HA -0.046 4.277 4.340 -0.028 0.000 0.238 479 R C 2.688 178.992 176.300 0.007 0.000 1.136 479 R CA 2.449 58.547 56.100 -0.003 0.000 0.959 479 R CB -0.417 29.877 30.300 -0.010 0.000 0.856 479 R HN 0.426 nan 8.270 nan 0.000 0.437 480 S N 0.225 115.934 115.700 0.015 0.000 2.368 480 S HA -0.141 4.312 4.470 -0.028 0.000 0.225 480 S C 1.974 176.590 174.600 0.027 0.000 1.030 480 S CA 1.153 59.370 58.200 0.029 0.000 0.999 480 S CB -0.251 62.971 63.200 0.037 0.000 0.844 480 S HN 0.580 nan 8.310 nan 0.000 0.459 481 A N 1.276 124.104 122.820 0.013 0.000 1.902 481 A HA -0.217 4.086 4.320 -0.028 0.000 0.217 481 A C 2.112 179.694 177.584 -0.003 0.000 1.181 481 A CA 1.847 53.885 52.037 0.003 0.000 0.623 481 A CB -0.755 18.238 19.000 -0.011 0.000 0.818 481 A HN 0.577 nan 8.150 nan 0.000 0.443 482 Q N -0.297 119.498 119.800 -0.007 0.000 2.084 482 Q HA -0.137 4.186 4.340 -0.028 0.000 0.202 482 Q C 1.941 177.934 176.000 -0.011 0.000 0.978 482 Q CA 1.628 57.422 55.803 -0.015 0.000 0.844 482 Q CB -0.263 28.465 28.738 -0.016 0.000 0.898 482 Q HN 0.692 nan 8.270 nan 0.000 0.426 483 L N 0.172 121.402 121.223 0.012 0.000 2.093 483 L HA -0.185 4.137 4.340 -0.028 0.000 0.208 483 L C 2.441 179.361 176.870 0.084 0.000 1.085 483 L CA 0.704 55.562 54.840 0.031 0.000 0.755 483 L CB -0.503 41.600 42.059 0.072 0.000 0.904 483 L HN 0.309 nan 8.230 nan 0.000 0.435 484 L N -0.090 121.192 121.223 0.099 0.000 1.990 484 L HA -0.265 4.058 4.340 -0.028 0.000 0.213 484 L C 2.961 179.887 176.870 0.093 0.000 1.072 484 L CA 1.890 56.806 54.840 0.126 0.000 0.755 484 L CB -0.720 41.377 42.059 0.062 0.000 0.889 484 L HN 0.382 nan 8.230 nan 0.000 0.432 485 S N -0.324 115.391 115.700 0.024 0.000 2.399 485 S HA -0.246 4.207 4.470 -0.028 0.000 0.231 485 S C 2.172 176.768 174.600 -0.008 0.000 1.022 485 S CA 0.875 59.078 58.200 0.004 0.000 0.983 485 S CB -0.419 62.765 63.200 -0.028 0.000 0.803 485 S HN 0.283 nan 8.310 nan 0.000 0.480 486 R N -0.110 120.343 120.500 -0.078 0.000 2.190 486 R HA -0.216 4.107 4.340 -0.028 0.000 0.255 486 R C 1.648 177.802 176.300 -0.243 0.000 1.143 486 R CA 2.435 58.400 56.100 -0.224 0.000 0.965 486 R CB -0.690 29.343 30.300 -0.445 0.000 0.889 486 R HN 0.703 nan 8.270 nan 0.000 0.448 487 Y N -0.402 119.975 120.300 0.129 0.000 2.529 487 Y HA 0.122 4.654 4.550 -0.030 0.000 0.290 487 Y C 0.461 176.484 175.900 0.205 0.000 1.177 487 Y CA -0.215 58.022 58.100 0.228 0.000 1.305 487 Y CB 0.433 39.076 38.460 0.305 0.000 1.047 487 Y HN -0.033 nan 8.280 nan 0.000 0.522 488 R N -1.338 119.289 120.500 0.211 0.000 3.246 488 R HA -0.123 4.200 4.340 -0.028 0.000 0.260 488 R C -2.991 173.425 176.300 0.192 0.000 1.034 488 R CA -0.071 56.150 56.100 0.201 0.000 0.691 488 R CB -2.496 27.954 30.300 0.250 0.000 1.186 488 R HN 0.293 nan 8.270 nan 0.000 0.416 489 P HA 0.044 nan 4.420 nan 0.000 0.271 489 P C 0.854 177.979 177.300 -0.291 0.000 1.233 489 P CA -0.161 62.750 63.100 -0.314 0.000 0.789 489 P CB 0.514 32.037 31.700 -0.296 0.000 0.951 490 R N 1.206 121.333 120.500 -0.621 0.000 2.206 490 R HA 0.234 4.557 4.340 -0.028 0.000 0.198 490 R C 0.544 176.676 176.300 -0.279 0.000 0.986 490 R CA 0.202 56.045 56.100 -0.428 0.000 1.029 490 R CB -0.269 29.649 30.300 -0.638 0.000 0.966 490 R HN 0.492 nan 8.270 nan 0.000 0.487 491 A N 1.591 124.194 122.820 -0.361 0.000 2.498 491 A HA 0.444 4.747 4.320 -0.028 0.000 0.239 491 A C 0.101 177.593 177.584 -0.154 0.000 1.068 491 A CA 0.243 52.135 52.037 -0.240 0.000 0.766 491 A CB 0.158 18.999 19.000 -0.266 0.000 1.003 491 A HN 0.549 nan 8.150 nan 0.000 0.497 492 A N 1.810 124.554 122.820 -0.126 0.000 2.425 492 A HA 0.484 4.787 4.320 -0.028 0.000 0.249 492 A C 0.090 177.664 177.584 -0.017 0.000 1.084 492 A CA -0.248 51.766 52.037 -0.038 0.000 0.781 492 A CB 0.051 18.853 19.000 -0.330 0.000 1.019 492 A HN 1.144 nan 8.150 nan 0.000 0.490 493 V N 4.333 124.286 119.914 0.065 0.000 2.353 493 V HA 0.175 4.278 4.120 -0.028 0.000 0.264 493 V C -0.008 176.141 176.094 0.091 0.000 1.049 493 V CA 0.162 62.479 62.300 0.028 0.000 0.896 493 V CB 0.145 31.960 31.823 -0.014 0.000 1.025 493 V HN 0.639 nan 8.190 nan 0.000 0.475 494 I N 4.780 125.389 120.570 0.065 0.000 2.301 494 I HA 0.476 4.629 4.170 -0.028 0.000 0.292 494 I C 0.714 176.884 176.117 0.088 0.000 1.046 494 I CA 0.098 61.464 61.300 0.109 0.000 1.282 494 I CB 1.116 39.176 38.000 0.100 0.000 1.409 494 I HN 0.635 nan 8.210 nan 0.000 0.484 495 A N 7.182 130.060 122.820 0.096 0.000 2.249 495 A HA 0.638 4.941 4.320 -0.028 0.000 0.314 495 A C -0.392 177.253 177.584 0.103 0.000 1.290 495 A CA -0.438 51.640 52.037 0.069 0.000 0.893 495 A CB 0.549 19.567 19.000 0.030 0.000 1.165 495 A HN 0.455 nan 8.150 nan 0.000 0.530 496 V N 2.705 122.676 119.914 0.095 0.000 2.394 496 V HA 0.703 4.805 4.120 -0.028 0.000 0.282 496 V C 0.445 176.589 176.094 0.083 0.000 1.031 496 V CA -0.047 62.331 62.300 0.131 0.000 0.881 496 V CB 1.293 33.182 31.823 0.110 0.000 0.982 496 V HN 0.973 nan 8.190 nan 0.000 0.451 497 T N 4.144 118.766 114.554 0.114 0.000 2.894 497 T HA 0.388 4.721 4.350 -0.028 0.000 0.309 497 T C 0.503 175.269 174.700 0.110 0.000 1.208 497 T CA -0.613 61.538 62.100 0.084 0.000 1.016 497 T CB 1.773 70.680 68.868 0.064 0.000 1.192 497 T HN 0.627 nan 8.240 nan 0.000 0.491 498 R N 1.125 121.679 120.500 0.090 0.000 2.297 498 R HA 0.166 4.489 4.340 -0.028 0.000 0.197 498 R C 0.637 176.968 176.300 0.053 0.000 0.943 498 R CA 0.057 56.209 56.100 0.087 0.000 1.038 498 R CB 0.267 30.620 30.300 0.088 0.000 0.957 498 R HN 0.427 nan 8.270 nan 0.000 0.484 499 S N 0.643 116.373 115.700 0.050 0.000 2.642 499 S HA 0.279 4.731 4.470 -0.028 0.000 0.309 499 S C 1.252 175.878 174.600 0.044 0.000 1.125 499 S CA -0.285 57.938 58.200 0.038 0.000 1.055 499 S CB 0.948 64.166 63.200 0.030 0.000 1.157 499 S HN 0.341 nan 8.310 nan 0.000 0.513 500 A N 4.381 127.227 122.820 0.044 0.000 1.909 500 A HA -0.305 3.998 4.320 -0.028 0.000 0.221 500 A C 2.075 179.696 177.584 0.063 0.000 1.223 500 A CA 2.505 54.580 52.037 0.064 0.000 0.658 500 A CB -1.251 17.784 19.000 0.059 0.000 0.831 500 A HN 0.860 nan 8.150 nan 0.000 0.462 501 Q N -0.886 118.940 119.800 0.043 0.000 2.096 501 Q HA -0.107 4.216 4.340 -0.028 0.000 0.204 501 Q C 2.153 178.166 176.000 0.022 0.000 0.982 501 Q CA 2.177 57.999 55.803 0.032 0.000 0.850 501 Q CB -0.431 28.320 28.738 0.021 0.000 0.901 501 Q HN 0.651 nan 8.270 nan 0.000 0.422 502 A N 0.522 123.353 122.820 0.019 0.000 1.902 502 A HA -0.120 4.183 4.320 -0.028 0.000 0.217 502 A C 2.308 179.886 177.584 -0.010 0.000 1.181 502 A CA 1.721 53.762 52.037 0.006 0.000 0.623 502 A CB -1.159 17.848 19.000 0.012 0.000 0.818 502 A HN 0.582 nan 8.150 nan 0.000 0.443 503 A N -0.136 122.689 122.820 0.009 0.000 1.902 503 A HA -0.185 4.118 4.320 -0.028 0.000 0.217 503 A C 2.249 179.788 177.584 -0.076 0.000 1.181 503 A CA 1.583 53.612 52.037 -0.014 0.000 0.623 503 A CB -0.471 18.568 19.000 0.065 0.000 0.818 503 A HN 0.567 nan 8.150 nan 0.000 0.443 504 R N -0.722 119.781 120.500 0.005 0.000 2.092 504 R HA -0.119 4.204 4.340 -0.028 0.000 0.231 504 R C 2.346 178.655 176.300 0.016 0.000 1.119 504 R CA 1.583 57.709 56.100 0.043 0.000 0.970 504 R CB -0.288 30.063 30.300 0.085 0.000 0.864 504 R HN 0.679 nan 8.270 nan 0.000 0.440 505 Q N 0.032 119.826 119.800 -0.009 0.000 2.245 505 Q HA -0.028 4.295 4.340 -0.028 0.000 0.201 505 Q C 1.992 177.981 176.000 -0.019 0.000 0.955 505 Q CA 0.663 56.468 55.803 0.003 0.000 0.870 505 Q CB 0.232 28.970 28.738 -0.001 0.000 0.945 505 Q HN 0.116 nan 8.270 nan 0.000 0.461 506 V N 0.943 120.801 119.914 -0.093 0.000 2.867 506 V HA -0.226 3.876 4.120 -0.028 0.000 0.260 506 V C 1.734 177.750 176.094 -0.130 0.000 1.099 506 V CA 1.372 63.600 62.300 -0.120 0.000 1.122 506 V CB -0.612 31.125 31.823 -0.144 0.000 0.708 506 V HN 0.456 nan 8.190 nan 0.000 0.490 507 H N -0.909 118.145 119.070 -0.026 0.000 2.457 507 H HA -0.111 4.428 4.556 -0.029 0.000 0.297 507 H C 2.019 177.330 175.328 -0.028 0.000 1.092 507 H CA 1.103 57.126 56.048 -0.041 0.000 1.309 507 H CB -0.066 29.688 29.762 -0.013 0.000 1.382 507 H HN 0.266 nan 8.280 nan 0.000 0.535 508 L N 0.110 121.393 121.223 0.101 0.000 2.450 508 L HA -0.083 4.240 4.340 -0.028 0.000 0.224 508 L C 0.681 177.569 176.870 0.030 0.000 1.149 508 L CA 0.432 55.318 54.840 0.077 0.000 0.816 508 L CB -0.643 41.461 42.059 0.074 0.000 0.932 508 L HN 0.180 nan 8.230 nan 0.000 0.449 509 C N 0.465 119.763 119.300 -0.004 0.000 2.264 509 C HA 0.362 4.805 4.460 -0.028 0.000 0.324 509 C C 1.144 176.094 174.990 -0.067 0.000 1.267 509 C CA -1.447 57.552 59.018 -0.033 0.000 1.618 509 C CB 0.471 28.184 27.740 -0.044 0.000 2.278 509 C HN 0.316 nan 8.230 nan 0.000 0.499 510 R N 2.106 122.577 120.500 -0.048 0.000 2.523 510 R HA 0.269 4.592 4.340 -0.028 0.000 0.281 510 R C 1.297 177.525 176.300 -0.121 0.000 0.969 510 R CA 1.793 57.855 56.100 -0.063 0.000 1.093 510 R CB -0.059 30.232 30.300 -0.015 0.000 0.917 510 R HN 1.261 nan 8.270 nan 0.000 0.408 511 G N 2.420 111.084 108.800 -0.227 0.000 2.143 511 G HA2 -0.247 3.696 3.960 -0.028 0.000 0.248 511 G HA3 -0.247 3.696 3.960 -0.028 0.000 0.248 511 G C -0.298 174.284 174.900 -0.530 0.000 0.991 511 G CA 0.149 45.058 45.100 -0.319 0.000 0.689 511 G HN 0.519 nan 8.290 nan 0.000 0.522 512 V N 0.514 120.076 119.914 -0.587 0.000 2.398 512 V HA 0.701 4.804 4.120 -0.028 0.000 0.286 512 V C -0.243 175.488 176.094 -0.605 0.000 1.026 512 V CA -0.667 61.382 62.300 -0.418 0.000 0.868 512 V CB 1.221 32.924 31.823 -0.199 0.000 0.982 512 V HN 0.223 nan 8.190 nan 0.000 0.443 513 F N 6.717 126.642 119.950 -0.042 0.000 2.382 513 F HA 0.509 5.019 4.527 -0.030 0.000 0.361 513 F C -2.206 173.615 175.800 0.036 0.000 1.109 513 F CA -2.550 55.460 58.000 0.017 0.000 1.031 513 F CB 1.776 40.750 39.000 -0.044 0.000 1.234 513 F HN 0.308 nan 8.300 nan 0.000 0.445 514 P HA 0.337 nan 4.420 nan 0.000 0.284 514 P C -0.945 176.472 177.300 0.195 0.000 1.253 514 P CA -0.307 62.842 63.100 0.080 0.000 0.800 514 P CB 1.839 33.495 31.700 -0.074 0.000 0.961 515 L N 3.164 124.519 121.223 0.221 0.000 2.381 515 L HA 0.382 4.705 4.340 -0.028 0.000 0.274 515 L C -0.202 176.878 176.870 0.350 0.000 0.988 515 L CA -1.193 53.841 54.840 0.323 0.000 0.824 515 L CB 2.084 44.355 42.059 0.353 0.000 1.263 515 L HN 0.239 nan 8.230 nan 0.000 0.410 516 L N 4.027 125.452 121.223 0.337 0.000 2.281 516 L HA 0.321 4.644 4.340 -0.028 0.000 0.285 516 L C -0.831 176.128 176.870 0.148 0.000 1.074 516 L CA 0.055 55.021 54.840 0.209 0.000 0.817 516 L CB 0.606 42.740 42.059 0.125 0.000 1.168 516 L HN 0.347 nan 8.230 nan 0.000 0.434 517 Y N 5.051 125.299 120.300 -0.088 0.000 2.326 517 Y HA 0.400 4.933 4.550 -0.029 0.000 0.337 517 Y C 0.983 176.724 175.900 -0.266 0.000 1.023 517 Y CA -0.082 57.806 58.100 -0.353 0.000 1.143 517 Y CB 0.934 39.196 38.460 -0.331 0.000 1.183 517 Y HN 0.717 nan 8.280 nan 0.000 0.485 518 R N 1.982 121.972 120.500 -0.850 0.000 2.307 518 R HA 0.108 4.431 4.340 -0.028 0.000 0.200 518 R C -0.273 175.701 176.300 -0.542 0.000 0.893 518 R CA -0.135 55.647 56.100 -0.530 0.000 1.042 518 R CB 0.413 30.473 30.300 -0.400 0.000 1.059 518 R HN 0.576 nan 8.270 nan 0.000 0.530 519 E N 2.564 122.212 120.200 -0.921 0.000 2.398 519 E HA 0.111 4.444 4.350 -0.028 0.000 0.263 519 E C -2.231 174.260 176.600 -0.183 0.000 1.046 519 E CA -2.045 54.057 56.400 -0.496 0.000 0.908 519 E CB 0.116 29.539 29.700 -0.461 0.000 0.963 519 E HN -0.015 nan 8.360 nan 0.000 0.431 520 P HA 0.214 nan 4.420 nan 0.000 0.275 520 P C -2.419 174.899 177.300 0.029 0.000 1.227 520 P CA -1.255 61.830 63.100 -0.025 0.000 0.781 520 P CB -0.288 31.395 31.700 -0.028 0.000 0.906 521 P HA 0.032 nan 4.420 nan 0.000 0.267 521 P C -0.024 177.313 177.300 0.061 0.000 1.200 521 P CA 0.308 63.457 63.100 0.081 0.000 0.772 521 P CB 0.366 32.118 31.700 0.088 0.000 0.855 522 E N 1.237 121.473 120.200 0.060 0.000 2.373 522 E HA 0.116 4.449 4.350 -0.028 0.000 0.263 522 E C 1.292 177.926 176.600 0.056 0.000 1.073 522 E CA -0.155 56.272 56.400 0.045 0.000 0.894 522 E CB 0.638 30.354 29.700 0.026 0.000 1.008 522 E HN 0.409 nan 8.360 nan 0.000 0.420 523 A N 3.221 126.068 122.820 0.044 0.000 1.892 523 A HA -0.159 4.144 4.320 -0.028 0.000 0.218 523 A C 1.229 178.855 177.584 0.070 0.000 1.188 523 A CA 1.129 53.195 52.037 0.048 0.000 0.631 523 A CB -0.357 18.664 19.000 0.034 0.000 0.822 523 A HN 0.581 nan 8.150 nan 0.000 0.447 524 I N -1.508 119.101 120.570 0.065 0.000 2.312 524 I HA 0.066 4.219 4.170 -0.028 0.000 0.291 524 I C 0.872 177.058 176.117 0.116 0.000 1.031 524 I CA -0.538 60.814 61.300 0.086 0.000 1.293 524 I CB 1.196 39.227 38.000 0.052 0.000 1.403 524 I HN 0.604 nan 8.210 nan 0.000 0.484 525 W N 6.270 127.562 121.300 -0.012 0.000 2.318 525 W HA -0.321 4.322 4.660 -0.029 0.000 0.313 525 W C 2.230 178.738 176.519 -0.019 0.000 1.221 525 W CA 2.217 59.549 57.345 -0.021 0.000 1.266 525 W CB -0.026 29.414 29.460 -0.033 0.000 1.150 525 W HN 0.628 nan 8.180 nan 0.000 0.496 526 A N 0.317 123.106 122.820 -0.052 0.000 1.892 526 A HA -0.296 4.007 4.320 -0.028 0.000 0.218 526 A C 1.774 179.221 177.584 -0.228 0.000 1.188 526 A CA 2.408 54.318 52.037 -0.211 0.000 0.631 526 A CB -1.212 17.766 19.000 -0.037 0.000 0.822 526 A HN 0.347 nan 8.150 nan 0.000 0.447 527 D N -0.500 119.829 120.400 -0.119 0.000 2.123 527 D HA -0.154 4.469 4.640 -0.028 0.000 0.196 527 D C 1.577 177.794 176.300 -0.139 0.000 0.992 527 D CA 1.720 55.663 54.000 -0.095 0.000 0.833 527 D CB -0.566 40.212 40.800 -0.036 0.000 0.954 527 D HN 0.622 nan 8.370 nan 0.000 0.455 528 D N -0.281 120.013 120.400 -0.176 0.000 2.178 528 D HA -0.106 4.517 4.640 -0.028 0.000 0.202 528 D C 1.991 178.110 176.300 -0.303 0.000 0.974 528 D CA 0.523 54.414 54.000 -0.181 0.000 0.841 528 D CB 0.258 40.986 40.800 -0.120 0.000 0.953 528 D HN -0.059 nan 8.370 nan 0.000 0.478 529 V N 0.708 120.346 119.914 -0.460 0.000 2.295 529 V HA -0.215 3.888 4.120 -0.028 0.000 0.246 529 V C 1.869 177.794 176.094 -0.281 0.000 1.049 529 V CA 1.909 63.936 62.300 -0.455 0.000 1.024 529 V CB -0.539 30.911 31.823 -0.622 0.000 0.648 529 V HN 0.234 nan 8.190 nan 0.000 0.447 530 D N 0.092 120.359 120.400 -0.221 0.000 2.092 530 D HA -0.157 4.466 4.640 -0.028 0.000 0.193 530 D C 2.394 178.635 176.300 -0.099 0.000 0.994 530 D CA 1.336 55.256 54.000 -0.133 0.000 0.828 530 D CB -0.361 40.382 40.800 -0.095 0.000 0.963 530 D HN 0.361 nan 8.370 nan 0.000 0.450 531 R N 0.517 120.963 120.500 -0.091 0.000 2.105 531 R HA -0.058 4.264 4.340 -0.028 0.000 0.239 531 R C 2.416 178.663 176.300 -0.088 0.000 1.135 531 R CA 0.828 56.910 56.100 -0.030 0.000 0.967 531 R CB -0.164 30.153 30.300 0.029 0.000 0.861 531 R HN 0.237 nan 8.270 nan 0.000 0.442 532 R N 0.238 120.561 120.500 -0.295 0.000 2.080 532 R HA -0.114 4.209 4.340 -0.028 0.000 0.236 532 R C 2.394 178.632 176.300 -0.103 0.000 1.137 532 R CA 1.637 57.491 56.100 -0.411 0.000 0.943 532 R CB -0.586 29.410 30.300 -0.507 0.000 0.846 532 R HN 0.055 nan 8.270 nan 0.000 0.431 533 V N 1.131 120.990 119.914 -0.092 0.000 2.255 533 V HA -0.286 3.817 4.120 -0.028 0.000 0.247 533 V C 2.316 178.417 176.094 0.011 0.000 1.051 533 V CA 1.830 64.109 62.300 -0.034 0.000 1.018 533 V CB -0.551 31.241 31.823 -0.051 0.000 0.641 533 V HN 0.253 nan 8.190 nan 0.000 0.445 534 Q N -0.680 119.131 119.800 0.019 0.000 2.045 534 Q HA -0.224 4.099 4.340 -0.028 0.000 0.206 534 Q C 1.972 178.034 176.000 0.103 0.000 0.991 534 Q CA 2.119 57.951 55.803 0.050 0.000 0.851 534 Q CB -0.845 27.925 28.738 0.054 0.000 0.911 534 Q HN 0.654 nan 8.270 nan 0.000 0.418 535 F N 0.019 119.976 119.950 0.012 0.000 2.192 535 F HA -0.179 4.331 4.527 -0.028 0.000 0.301 535 F C 1.811 177.648 175.800 0.061 0.000 1.079 535 F CA 1.854 59.900 58.000 0.078 0.000 1.303 535 F CB -0.555 38.550 39.000 0.174 0.000 1.024 535 F HN 0.117 nan 8.300 nan 0.000 0.494 536 G N 0.371 109.196 108.800 0.041 0.000 2.394 536 G HA2 -0.181 3.762 3.960 -0.028 0.000 0.214 536 G HA3 -0.181 3.762 3.960 -0.028 0.000 0.214 536 G C 1.773 176.636 174.900 -0.062 0.000 1.176 536 G CA 0.964 46.048 45.100 -0.027 0.000 0.786 536 G HN 0.430 nan 8.290 nan 0.000 0.533 537 I N 0.516 121.067 120.570 -0.032 0.000 2.091 537 I HA -0.221 3.932 4.170 -0.028 0.000 0.239 537 I C 2.666 178.742 176.117 -0.068 0.000 1.061 537 I CA 1.838 63.119 61.300 -0.031 0.000 1.317 537 I CB -0.276 37.714 38.000 -0.017 0.000 1.031 537 I HN 0.277 nan 8.210 nan 0.000 0.401 538 E N 0.724 120.872 120.200 -0.088 0.000 2.033 538 E HA -0.273 4.060 4.350 -0.028 0.000 0.199 538 E C 2.203 178.700 176.600 -0.172 0.000 1.011 538 E CA 2.327 58.663 56.400 -0.106 0.000 0.815 538 E CB -0.015 29.639 29.700 -0.077 0.000 0.755 538 E HN 0.509 nan 8.360 nan 0.000 0.451 539 S N -0.095 115.421 115.700 -0.307 0.000 2.420 539 S HA -0.168 4.285 4.470 -0.028 0.000 0.237 539 S C 1.939 176.413 174.600 -0.209 0.000 1.023 539 S CA 0.925 58.935 58.200 -0.316 0.000 0.991 539 S CB -0.634 62.268 63.200 -0.497 0.000 0.792 539 S HN 0.480 nan 8.310 nan 0.000 0.488 540 G N 1.956 110.678 108.800 -0.131 0.000 2.404 540 G HA2 -0.107 3.836 3.960 -0.028 0.000 0.214 540 G HA3 -0.107 3.836 3.960 -0.028 0.000 0.214 540 G C 1.420 176.252 174.900 -0.113 0.000 1.189 540 G CA 0.666 45.742 45.100 -0.039 0.000 0.789 540 G HN 0.458 nan 8.290 nan 0.000 0.533 541 K N -0.128 120.216 120.400 -0.094 0.000 2.001 541 K HA 0.013 4.316 4.320 -0.028 0.000 0.214 541 K C 2.381 178.893 176.600 -0.146 0.000 1.050 541 K CA 1.127 57.358 56.287 -0.095 0.000 0.934 541 K CB -0.541 31.919 32.500 -0.068 0.000 0.718 541 K HN 0.171 nan 8.250 nan 0.000 0.443 542 L N 1.083 122.213 121.223 -0.155 0.000 2.197 542 L HA -0.242 4.081 4.340 -0.028 0.000 0.215 542 L C 1.601 178.333 176.870 -0.230 0.000 1.095 542 L CA 1.703 56.447 54.840 -0.160 0.000 0.764 542 L CB -0.110 41.868 42.059 -0.136 0.000 0.897 542 L HN 0.283 nan 8.230 nan 0.000 0.436 543 R N -1.245 119.025 120.500 -0.383 0.000 2.397 543 R HA 0.225 4.548 4.340 -0.028 0.000 0.241 543 R C 1.057 177.015 176.300 -0.570 0.000 0.914 543 R CA 0.579 56.362 56.100 -0.528 0.000 1.071 543 R CB 0.424 30.222 30.300 -0.837 0.000 1.116 543 R HN 0.363 nan 8.270 nan 0.000 0.524 544 G N 1.154 109.710 108.800 -0.405 0.000 2.142 544 G HA2 -0.268 3.675 3.960 -0.028 0.000 0.225 544 G HA3 -0.268 3.675 3.960 -0.028 0.000 0.225 544 G C 0.381 175.208 174.900 -0.122 0.000 1.015 544 G CA -0.198 44.768 45.100 -0.224 0.000 0.716 544 G HN 0.415 nan 8.290 nan 0.000 0.508 545 F N -0.307 119.567 119.950 -0.127 0.000 2.416 545 F HA 0.377 4.888 4.527 -0.028 0.000 0.296 545 F C 1.361 177.098 175.800 -0.105 0.000 1.099 545 F CA 0.270 58.181 58.000 -0.149 0.000 1.427 545 F CB 0.188 39.070 39.000 -0.196 0.000 1.079 545 F HN 0.104 nan 8.300 nan 0.000 0.536 546 L N 0.021 121.288 121.223 0.073 0.000 2.431 546 L HA 0.602 4.925 4.340 -0.028 0.000 0.266 546 L C -0.594 176.273 176.870 -0.005 0.000 0.978 546 L CA -1.124 53.735 54.840 0.030 0.000 0.822 546 L CB 1.829 43.903 42.059 0.025 0.000 1.310 546 L HN -0.259 nan 8.230 nan 0.000 0.409 547 R N 0.726 121.223 120.500 -0.005 0.000 2.873 547 R HA 0.639 4.962 4.340 -0.028 0.000 0.264 547 R C -0.766 175.527 176.300 -0.011 0.000 1.026 547 R CA -1.096 54.996 56.100 -0.012 0.000 1.002 547 R CB 2.392 32.686 30.300 -0.010 0.000 1.174 547 R HN 0.379 nan 8.270 nan 0.000 0.488 548 V N 1.309 121.215 119.914 -0.012 0.000 2.788 548 V HA 0.164 4.267 4.120 -0.028 0.000 0.307 548 V C 1.672 177.761 176.094 -0.008 0.000 1.069 548 V CA 1.458 63.752 62.300 -0.010 0.000 1.173 548 V CB 0.507 32.324 31.823 -0.010 0.000 0.925 548 V HN 1.063 nan 8.190 nan 0.000 0.492 549 G N 2.897 111.693 108.800 -0.007 0.000 2.299 549 G HA2 -0.224 3.719 3.960 -0.028 0.000 0.237 549 G HA3 -0.224 3.719 3.960 -0.028 0.000 0.237 549 G C -0.002 174.894 174.900 -0.007 0.000 1.027 549 G CA 0.151 45.247 45.100 -0.006 0.000 0.619 549 G HN 0.730 nan 8.290 nan 0.000 0.513 550 D N 0.744 121.139 120.400 -0.008 0.000 2.443 550 D HA 0.430 5.053 4.640 -0.028 0.000 0.234 550 D C 1.007 177.300 176.300 -0.013 0.000 1.172 550 D CA 0.264 54.258 54.000 -0.011 0.000 0.878 550 D CB 0.554 41.347 40.800 -0.011 0.000 1.204 550 D HN 0.386 nan 8.370 nan 0.000 0.453 551 L N 0.940 122.153 121.223 -0.017 0.000 2.334 551 L HA 0.531 4.854 4.340 -0.028 0.000 0.275 551 L C -0.221 176.633 176.870 -0.028 0.000 1.036 551 L CA -0.845 53.983 54.840 -0.020 0.000 0.807 551 L CB 1.723 43.770 42.059 -0.019 0.000 1.231 551 L HN 0.028 nan 8.230 nan 0.000 0.438 552 V N 3.877 123.775 119.914 -0.025 0.000 2.709 552 V HA 0.447 4.550 4.120 -0.028 0.000 0.308 552 V C -0.406 175.670 176.094 -0.029 0.000 1.062 552 V CA -0.622 61.660 62.300 -0.030 0.000 0.901 552 V CB 2.495 34.306 31.823 -0.019 0.000 1.003 552 V HN 0.384 nan 8.190 nan 0.000 0.425 553 I N 5.978 126.525 120.570 -0.038 0.000 2.365 553 I HA 0.436 4.589 4.170 -0.028 0.000 0.291 553 I C -0.064 176.041 176.117 -0.020 0.000 1.004 553 I CA -0.368 60.914 61.300 -0.030 0.000 1.311 553 I CB 1.418 39.393 38.000 -0.041 0.000 1.401 553 I HN 0.188 nan 8.210 nan 0.000 0.491 554 V N 7.060 126.968 119.914 -0.011 0.000 2.448 554 V HA 0.417 4.520 4.120 -0.028 0.000 0.295 554 V C 0.002 176.098 176.094 0.003 0.000 1.025 554 V CA -0.717 61.578 62.300 -0.007 0.000 0.859 554 V CB 2.326 34.142 31.823 -0.012 0.000 0.988 554 V HN 0.440 nan 8.190 nan 0.000 0.431 555 V N 5.063 124.982 119.914 0.009 0.000 2.378 555 V HA 0.676 4.779 4.120 -0.028 0.000 0.288 555 V C 0.362 176.473 176.094 0.030 0.000 1.016 555 V CA -0.076 62.240 62.300 0.026 0.000 0.840 555 V CB 1.777 33.620 31.823 0.033 0.000 0.994 555 V HN 1.100 nan 8.190 nan 0.000 0.431 556 T N 1.939 116.519 114.554 0.044 0.000 2.693 556 T HA 0.901 5.234 4.350 -0.028 0.000 0.278 556 T C 0.015 174.784 174.700 0.116 0.000 0.994 556 T CA -0.369 61.761 62.100 0.049 0.000 1.033 556 T CB 2.039 70.905 68.868 -0.004 0.000 1.342 556 T HN 0.815 nan 8.240 nan 0.000 0.538 557 G N -0.970 107.925 108.800 0.158 0.000 2.630 557 G HA2 0.501 4.444 3.960 -0.028 0.000 0.296 557 G HA3 0.501 4.444 3.960 -0.028 0.000 0.296 557 G C 0.260 175.360 174.900 0.333 0.000 1.285 557 G CA -0.773 44.468 45.100 0.235 0.000 0.958 557 G HN 0.952 nan 8.290 nan 0.000 0.479 558 W N 0.260 121.696 121.300 0.227 0.000 3.047 558 W HA 0.282 4.924 4.660 -0.029 0.000 0.250 558 W C 0.132 176.737 176.519 0.144 0.000 1.314 558 W CA -0.075 57.388 57.345 0.197 0.000 1.540 558 W CB -0.358 29.153 29.460 0.085 0.000 1.127 558 W HN 0.540 nan 8.180 nan 0.000 0.679 559 R N -1.051 119.119 120.500 -0.550 0.000 2.690 559 R HA 0.546 4.869 4.340 -0.028 0.000 0.269 559 R C -3.361 172.344 176.300 -0.991 0.000 1.037 559 R CA -1.765 53.639 56.100 -1.158 0.000 0.877 559 R CB 0.039 29.427 30.300 -1.520 0.000 1.255 559 R HN -0.389 nan 8.270 nan 0.000 0.467 560 P HA 0.394 nan 4.420 nan 0.000 0.273 560 P C -0.222 176.922 177.300 -0.261 0.000 1.250 560 P CA 0.920 63.676 63.100 -0.573 0.000 0.793 560 P CB 0.496 31.738 31.700 -0.763 0.000 1.011 561 G N -0.365 108.412 108.800 -0.039 0.000 2.731 561 G HA2 -0.038 3.904 3.960 -0.028 0.000 0.686 561 G HA3 -0.038 3.904 3.960 -0.028 0.000 0.686 561 G C 0.067 175.039 174.900 0.121 0.000 1.395 561 G CA -0.206 44.915 45.100 0.035 0.000 0.870 561 G HN 0.698 nan 8.290 nan 0.000 0.591 562 S N 0.173 115.903 115.700 0.050 0.000 2.587 562 S HA 0.587 5.040 4.470 -0.028 0.000 0.260 562 S C 1.963 176.456 174.600 -0.179 0.000 1.353 562 S CA 1.667 59.858 58.200 -0.014 0.000 0.995 562 S CB 0.891 64.068 63.200 -0.039 0.000 0.912 562 S HN 2.885 nan 8.310 nan 0.000 0.568 563 G N 0.789 109.456 108.800 -0.223 0.000 2.176 563 G HA2 -0.247 3.696 3.960 -0.028 0.000 0.253 563 G HA3 -0.247 3.696 3.960 -0.028 0.000 0.253 563 G C 0.181 174.794 174.900 -0.477 0.000 0.979 563 G CA 0.691 45.543 45.100 -0.413 0.000 0.641 563 G HN 0.860 nan 8.290 nan 0.000 0.530 564 Y N 1.253 121.533 120.300 -0.034 0.000 2.696 564 Y HA 0.425 4.958 4.550 -0.028 0.000 0.260 564 Y C 1.416 177.355 175.900 0.063 0.000 1.165 564 Y CA -0.055 58.034 58.100 -0.018 0.000 1.189 564 Y CB 0.372 38.637 38.460 -0.325 0.000 1.180 564 Y HN 0.114 nan 8.280 nan 0.000 0.538 565 T N 3.488 118.145 114.554 0.172 0.000 2.908 565 T HA -0.035 4.298 4.350 -0.028 0.000 0.301 565 T C 0.950 175.778 174.700 0.213 0.000 1.019 565 T CA 0.673 62.874 62.100 0.168 0.000 1.152 565 T CB 0.038 68.971 68.868 0.108 0.000 0.966 565 T HN 0.672 nan 8.240 nan 0.000 0.540 566 N N 2.539 121.379 118.700 0.233 0.000 2.002 566 N HA 0.055 4.778 4.740 -0.028 0.000 0.222 566 N C -0.754 174.859 175.510 0.171 0.000 1.396 566 N CA -0.181 53.004 53.050 0.224 0.000 0.725 566 N CB 0.032 38.717 38.487 0.329 0.000 1.183 566 N HN 0.492 nan 8.380 nan 0.000 0.540 567 I N 1.279 121.937 120.570 0.146 0.000 2.647 567 I HA 0.497 4.650 4.170 -0.028 0.000 0.295 567 I C -0.721 175.439 176.117 0.071 0.000 1.078 567 I CA -0.627 60.737 61.300 0.107 0.000 1.048 567 I CB 2.418 40.488 38.000 0.116 0.000 1.239 567 I HN -0.016 nan 8.210 nan 0.000 0.421 568 M N 6.018 125.649 119.600 0.052 0.000 2.267 568 M HA 0.561 5.024 4.480 -0.028 0.000 0.289 568 M C -1.684 174.629 176.300 0.023 0.000 1.043 568 M CA -0.349 54.971 55.300 0.034 0.000 0.928 568 M CB 2.178 34.797 32.600 0.031 0.000 1.613 568 M HN 0.658 nan 8.290 nan 0.000 0.450 569 R N 2.498 123.006 120.500 0.013 0.000 2.807 569 R HA 0.764 5.086 4.340 -0.028 0.000 0.276 569 R C -1.390 174.910 176.300 -0.000 0.000 0.979 569 R CA -0.971 55.133 56.100 0.007 0.000 0.928 569 R CB 2.746 33.049 30.300 0.004 0.000 1.191 569 R HN 0.507 nan 8.270 nan 0.000 0.471 570 V N 4.250 124.164 119.914 -0.001 0.000 2.334 570 V HA 0.421 4.524 4.120 -0.028 0.000 0.281 570 V C -0.275 175.815 176.094 -0.006 0.000 1.016 570 V CA -0.555 61.742 62.300 -0.005 0.000 0.832 570 V CB 1.137 32.959 31.823 -0.003 0.000 0.999 570 V HN 0.475 nan 8.190 nan 0.000 0.439 571 L N 4.003 125.220 121.223 -0.010 0.000 2.341 571 L HA 0.715 5.038 4.340 -0.028 0.000 0.267 571 L C 0.171 177.035 176.870 -0.010 0.000 1.009 571 L CA -0.535 54.300 54.840 -0.009 0.000 0.819 571 L CB 2.561 44.614 42.059 -0.010 0.000 1.323 571 L HN 0.675 nan 8.230 nan 0.000 0.425 572 S N 1.342 117.038 115.700 -0.008 0.000 2.489 572 S HA 0.622 5.075 4.470 -0.028 0.000 0.291 572 S C -0.112 174.484 174.600 -0.008 0.000 1.151 572 S CA -0.898 57.297 58.200 -0.008 0.000 1.082 572 S CB 1.654 64.851 63.200 -0.006 0.000 1.019 572 S HN 0.279 nan 8.310 nan 0.000 0.492 573 I N 0.000 120.565 120.570 -0.008 0.000 2.984 573 I HA 0.000 4.153 4.170 -0.028 0.000 0.288 573 I CA 0.000 61.295 61.300 -0.009 0.000 1.566 573 I CB 0.000 37.994 38.000 -0.010 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494