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 3cja_1_A DATA FIRST_RESID 36 DATA SEQUENCE PALKYGIVLD AGSSHTSMFV YKWPADKEND TGIVGQHSSc DVQGGGISSY DATA SEQUENCE ANDPSKAGQS LVRcLEQALR DVPRDRHAST PLYLGATAGM RLLNLTSPEA DATA SEQUENCE TARVLEAVTQ TLTQYPFDFR GARILSGQDE GVFGWVTANY LLENFIKYGW DATA SEQUENCE VGRWIRPRKG TLGAMDLGGA STQITFETTS PSEDPGNEVH LRLYGQHYRV DATA SEQUENCE YTHSFLcYGR DQILLRLLAS ALQIHRFHPc WPKGYSTQVL LQEVYQSPcT DATA SEQUENCE MGQXXXXXXX SAIVSLSGTS NATLcRDLVS RLFNISScPF SQcSFNGVFQ DATA SEQUENCE PPVAGNFIAF SAFYYTVDFL TTVMGLPVGT LKQLEEATEI TcNQTWTELQ DATA SEQUENCE ARVPGQKTRL ADYcAVAMFI HQLLSRGYHF DERSFREVVF QKKAADTAVG DATA SEQUENCE WALGYMLNLT NLIPADLPGL RKGTHF 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 36 P HA 0.000 nan 4.420 nan 0.000 0.216 36 P C 0.000 177.288 177.300 -0.020 0.000 1.155 36 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 36 P CB 0.000 31.701 31.700 0.001 0.000 0.726 37 A N 0.692 123.499 122.820 -0.022 0.000 2.473 37 A HA 0.505 4.817 4.320 -0.014 0.000 0.282 37 A C -0.038 177.488 177.584 -0.095 0.000 1.163 37 A CA 0.233 52.248 52.037 -0.037 0.000 0.827 37 A CB -1.198 17.789 19.000 -0.020 0.000 1.098 37 A HN 0.353 nan 8.150 nan 0.000 0.515 38 L N 2.751 123.888 121.223 -0.144 0.000 2.343 38 L HA 0.442 4.774 4.340 -0.014 0.000 0.275 38 L C 0.451 177.032 176.870 -0.481 0.000 1.056 38 L CA -0.438 54.189 54.840 -0.355 0.000 0.804 38 L CB 1.501 43.284 42.059 -0.459 0.000 1.203 38 L HN 0.653 nan 8.230 nan 0.000 0.440 39 K N 1.598 121.475 120.400 -0.872 0.000 2.221 39 K HA 0.639 4.951 4.320 -0.014 0.000 0.243 39 K C -1.606 174.102 176.600 -1.487 0.000 0.968 39 K CA -0.644 55.040 56.287 -1.005 0.000 0.846 39 K CB 1.962 33.827 32.500 -1.059 0.000 1.141 39 K HN 0.261 nan 8.250 nan 0.000 0.434 40 Y N -1.144 118.674 120.300 -0.803 0.000 2.576 40 Y HA 0.632 5.174 4.550 -0.013 0.000 0.346 40 Y C 0.262 176.117 175.900 -0.075 0.000 1.018 40 Y CA -0.961 56.882 58.100 -0.428 0.000 1.050 40 Y CB 2.800 41.157 38.460 -0.173 0.000 1.280 40 Y HN 0.698 nan 8.280 nan 0.000 0.474 41 G N 1.270 110.335 108.800 0.441 0.000 2.718 41 G HA2 0.701 4.652 3.960 -0.014 0.000 0.295 41 G HA3 0.701 4.652 3.960 -0.014 0.000 0.295 41 G C -2.055 173.078 174.900 0.388 0.000 1.421 41 G CA -0.741 44.655 45.100 0.493 0.000 0.902 41 G HN 0.506 nan 8.290 nan 0.000 0.501 42 I N 0.982 121.699 120.570 0.245 0.000 2.466 42 I HA 0.437 4.599 4.170 -0.014 0.000 0.289 42 I C -0.604 175.682 176.117 0.281 0.000 1.026 42 I CA -1.112 60.266 61.300 0.130 0.000 1.078 42 I CB 2.337 40.229 38.000 -0.180 0.000 1.249 42 I HN 0.126 nan 8.210 nan 0.000 0.429 43 V N 7.013 127.131 119.914 0.340 0.000 2.448 43 V HA 0.415 4.527 4.120 -0.014 0.000 0.295 43 V C -0.117 176.135 176.094 0.264 0.000 1.025 43 V CA -0.592 61.949 62.300 0.402 0.000 0.859 43 V CB 1.961 34.062 31.823 0.463 0.000 0.988 43 V HN 0.465 nan 8.190 nan 0.000 0.431 44 L N 4.211 125.579 121.223 0.241 0.000 2.260 44 L HA 0.419 4.751 4.340 -0.014 0.000 0.289 44 L C 0.181 177.179 176.870 0.214 0.000 1.057 44 L CA -0.100 54.833 54.840 0.155 0.000 0.811 44 L CB 0.867 42.992 42.059 0.108 0.000 1.184 44 L HN 0.571 nan 8.230 nan 0.000 0.429 45 D N 3.972 124.454 120.400 0.137 0.000 2.411 45 D HA 0.260 4.892 4.640 -0.014 0.000 0.225 45 D C -0.205 176.164 176.300 0.115 0.000 1.156 45 D CA -0.221 53.868 54.000 0.147 0.000 0.874 45 D CB 1.383 42.200 40.800 0.028 0.000 1.034 45 D HN 0.501 nan 8.370 nan 0.000 0.502 46 A N 3.836 126.790 122.820 0.223 0.000 2.798 46 A HA 0.601 4.913 4.320 -0.014 0.000 0.316 46 A C 0.826 178.480 177.584 0.117 0.000 1.506 46 A CA -0.395 51.701 52.037 0.097 0.000 1.162 46 A CB 0.082 19.153 19.000 0.118 0.000 1.138 46 A HN 0.519 nan 8.150 nan 0.000 0.532 47 G N 0.381 109.183 108.800 0.004 0.000 2.580 47 G HA2 0.375 4.327 3.960 -0.014 0.000 0.278 47 G HA3 0.375 4.327 3.960 -0.014 0.000 0.278 47 G C 1.242 176.232 174.900 0.150 0.000 1.212 47 G CA 0.306 45.507 45.100 0.168 0.000 0.939 47 G HN 1.049 nan 8.290 nan 0.000 0.513 48 S N -1.016 114.796 115.700 0.186 0.000 2.383 48 S HA -0.189 4.273 4.470 -0.014 0.000 0.229 48 S C 2.062 176.738 174.600 0.127 0.000 1.030 48 S CA 2.017 60.296 58.200 0.131 0.000 1.002 48 S CB -0.390 62.879 63.200 0.115 0.000 0.829 48 S HN 1.086 nan 8.310 nan 0.000 0.467 49 S N 0.801 116.625 115.700 0.206 0.000 2.559 49 S HA 0.265 4.727 4.470 -0.014 0.000 0.226 49 S C 0.302 175.044 174.600 0.237 0.000 1.000 49 S CA -0.235 58.068 58.200 0.170 0.000 0.948 49 S CB -0.320 62.958 63.200 0.128 0.000 0.870 49 S HN 0.942 nan 8.310 nan 0.000 0.497 50 H N -0.922 118.200 119.070 0.086 0.000 3.024 50 H HA 0.439 4.987 4.556 -0.014 0.000 0.324 50 H C -2.062 173.332 175.328 0.109 0.000 1.347 50 H CA -0.464 55.635 56.048 0.086 0.000 1.182 50 H CB 0.708 30.520 29.762 0.083 0.000 1.889 50 H HN -0.023 nan 8.280 nan 0.000 0.528 51 T N 1.949 116.395 114.554 -0.179 0.000 2.797 51 T HA 0.527 4.869 4.350 -0.014 0.000 0.279 51 T C -0.380 174.235 174.700 -0.142 0.000 0.991 51 T CA -0.552 61.400 62.100 -0.246 0.000 0.979 51 T CB 1.267 70.095 68.868 -0.066 0.000 0.943 51 T HN 0.541 nan 8.240 nan 0.000 0.444 52 S N 2.589 118.188 115.700 -0.169 0.000 2.526 52 S HA 0.619 5.081 4.470 -0.014 0.000 0.293 52 S C -0.708 173.687 174.600 -0.341 0.000 1.092 52 S CA -0.773 57.309 58.200 -0.197 0.000 0.980 52 S CB 1.479 64.615 63.200 -0.106 0.000 1.048 52 S HN 0.752 nan 8.310 nan 0.000 0.483 53 M N 3.886 123.198 119.600 -0.481 0.000 2.205 53 M HA 0.586 5.058 4.480 -0.014 0.000 0.344 53 M C -2.074 173.826 176.300 -0.666 0.000 1.085 53 M CA -0.476 54.585 55.300 -0.398 0.000 1.001 53 M CB 0.368 32.816 32.600 -0.253 0.000 1.626 53 M HN 0.558 nan 8.290 nan 0.000 0.442 54 F N 4.106 123.962 119.950 -0.157 0.000 2.467 54 F HA 0.548 5.068 4.527 -0.013 0.000 0.336 54 F C -0.443 175.117 175.800 -0.400 0.000 1.123 54 F CA -0.826 56.969 58.000 -0.342 0.000 0.964 54 F CB 1.760 40.471 39.000 -0.482 0.000 1.136 54 F HN 0.187 nan 8.300 nan 0.000 0.447 55 V N 4.156 123.942 119.914 -0.213 0.000 2.370 55 V HA 0.344 4.456 4.120 -0.014 0.000 0.279 55 V C -0.753 175.279 176.094 -0.104 0.000 1.029 55 V CA -0.932 61.326 62.300 -0.071 0.000 0.870 55 V CB 0.571 32.450 31.823 0.094 0.000 0.984 55 V HN 0.530 nan 8.190 nan 0.000 0.451 56 Y N 3.706 124.205 120.300 0.332 0.000 2.457 56 Y HA 0.719 5.261 4.550 -0.013 0.000 0.333 56 Y C 0.335 176.442 175.900 0.344 0.000 1.119 56 Y CA -0.995 57.316 58.100 0.352 0.000 1.143 56 Y CB 1.787 40.447 38.460 0.334 0.000 1.230 56 Y HN 0.636 nan 8.280 nan 0.000 0.469 57 K N 0.871 121.521 120.400 0.416 0.000 2.508 57 K HA 0.737 5.048 4.320 -0.014 0.000 0.260 57 K C -1.981 174.758 176.600 0.232 0.000 0.949 57 K CA -0.852 55.394 56.287 -0.068 0.000 0.834 57 K CB 2.637 34.838 32.500 -0.499 0.000 1.365 57 K HN 0.817 nan 8.250 nan 0.000 0.437 58 W N -0.730 120.470 121.300 -0.166 0.000 3.146 58 W HA 0.471 5.123 4.660 -0.012 0.000 0.319 58 W C -3.198 173.268 176.519 -0.089 0.000 1.258 58 W CA -2.272 55.034 57.345 -0.065 0.000 1.189 58 W CB 0.075 29.538 29.460 0.006 0.000 1.412 58 W HN 0.302 nan 8.180 nan 0.000 0.567 59 P HA 0.161 nan 4.420 nan 0.000 0.267 59 P C 0.697 178.059 177.300 0.104 0.000 1.205 59 P CA 0.550 63.678 63.100 0.046 0.000 0.765 59 P CB 1.114 32.867 31.700 0.088 0.000 0.828 60 A N 3.457 126.271 122.820 -0.010 0.000 2.070 60 A HA -0.180 4.132 4.320 -0.014 0.000 0.220 60 A C 1.125 178.775 177.584 0.110 0.000 1.159 60 A CA 1.965 54.023 52.037 0.035 0.000 0.656 60 A CB -0.941 18.046 19.000 -0.023 0.000 0.800 60 A HN 0.640 nan 8.150 nan 0.000 0.453 61 D N -2.609 117.848 120.400 0.095 0.000 2.469 61 D HA 0.125 4.756 4.640 -0.014 0.000 0.213 61 D C 1.021 177.377 176.300 0.094 0.000 1.135 61 D CA 0.061 54.113 54.000 0.086 0.000 0.834 61 D CB 0.148 40.981 40.800 0.056 0.000 1.009 61 D HN 0.272 nan 8.370 nan 0.000 0.507 62 K N 0.664 121.134 120.400 0.117 0.000 2.455 62 K HA 0.072 4.383 4.320 -0.014 0.000 0.206 62 K C 0.988 177.676 176.600 0.146 0.000 1.027 62 K CA 0.016 56.370 56.287 0.112 0.000 1.113 62 K CB 0.542 33.096 32.500 0.090 0.000 0.850 62 K HN 0.340 nan 8.250 nan 0.000 0.503 63 E N 0.080 120.397 120.200 0.195 0.000 2.265 63 E HA -0.172 4.170 4.350 -0.014 0.000 0.196 63 E C 0.832 177.471 176.600 0.066 0.000 0.996 63 E CA 1.167 57.688 56.400 0.202 0.000 0.832 63 E CB -0.039 29.873 29.700 0.353 0.000 0.756 63 E HN 0.059 nan 8.360 nan 0.000 0.491 64 N N 0.944 119.701 118.700 0.095 0.000 2.353 64 N HA 0.014 4.746 4.740 -0.014 0.000 0.185 64 N C -0.798 174.833 175.510 0.202 0.000 1.098 64 N CA 0.213 53.331 53.050 0.114 0.000 0.872 64 N CB 0.213 38.756 38.487 0.092 0.000 0.970 64 N HN 0.157 nan 8.380 nan 0.000 0.467 65 D N -0.025 120.460 120.400 0.142 0.000 2.455 65 D HA -0.035 4.597 4.640 -0.014 0.000 0.241 65 D C 0.546 176.882 176.300 0.060 0.000 1.138 65 D CA 0.488 54.537 54.000 0.082 0.000 0.877 65 D CB 0.588 41.404 40.800 0.026 0.000 1.187 65 D HN -0.067 nan 8.370 nan 0.000 0.451 66 T N 0.201 114.675 114.554 -0.134 0.000 2.919 66 T HA 0.385 4.727 4.350 -0.014 0.000 0.302 66 T C 1.362 175.682 174.700 -0.633 0.000 1.031 66 T CA 0.635 62.500 62.100 -0.391 0.000 1.127 66 T CB 0.322 68.844 68.868 -0.577 0.000 0.952 66 T HN 0.602 nan 8.240 nan 0.000 0.540 67 G N 3.900 111.846 108.800 -1.422 0.000 2.189 67 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.267 67 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.267 67 G C 0.806 175.536 174.900 -0.283 0.000 0.975 67 G CA 0.456 45.049 45.100 -0.845 0.000 0.644 67 G HN 0.712 nan 8.290 nan 0.000 0.537 68 I N 0.822 121.324 120.570 -0.113 0.000 2.406 68 I HA 0.161 4.323 4.170 -0.014 0.000 0.249 68 I C 1.647 177.897 176.117 0.222 0.000 1.122 68 I CA 0.385 61.739 61.300 0.090 0.000 1.431 68 I CB -0.014 38.053 38.000 0.111 0.000 1.087 68 I HN 0.094 nan 8.210 nan 0.000 0.424 69 V N 1.820 121.934 119.914 0.333 0.000 2.572 69 V HA 0.508 4.620 4.120 -0.014 0.000 0.291 69 V C 0.638 176.912 176.094 0.300 0.000 1.039 69 V CA 0.232 62.703 62.300 0.285 0.000 1.055 69 V CB 0.124 31.926 31.823 -0.035 0.000 0.969 69 V HN 0.398 nan 8.190 nan 0.000 0.482 70 G N 3.032 112.025 108.800 0.322 0.000 2.642 70 G HA2 0.520 4.472 3.960 -0.014 0.000 0.293 70 G HA3 0.520 4.472 3.960 -0.014 0.000 0.293 70 G C -1.121 174.034 174.900 0.425 0.000 1.341 70 G CA -0.705 44.578 45.100 0.304 0.000 0.916 70 G HN 0.604 nan 8.290 nan 0.000 0.474 71 Q N -0.659 119.363 119.800 0.371 0.000 2.297 71 Q HA 0.151 4.483 4.340 -0.014 0.000 0.267 71 Q C 0.638 176.768 176.000 0.217 0.000 1.006 71 Q CA -0.177 55.785 55.803 0.264 0.000 0.896 71 Q CB 0.567 29.408 28.738 0.171 0.000 1.186 71 Q HN 0.805 nan 8.270 nan 0.000 0.392 72 H N 1.991 121.121 119.070 0.100 0.000 2.388 72 H HA 0.207 4.755 4.556 -0.014 0.000 0.304 72 H C -0.297 175.072 175.328 0.069 0.000 1.049 72 H CA 1.224 57.339 56.048 0.112 0.000 1.371 72 H CB 0.629 30.504 29.762 0.188 0.000 1.436 72 H HN 0.588 nan 8.280 nan 0.000 0.544 73 S N -0.860 114.791 115.700 -0.082 0.000 2.615 73 S HA 0.606 5.068 4.470 -0.014 0.000 0.269 73 S C -1.005 173.534 174.600 -0.101 0.000 1.161 73 S CA -0.264 57.843 58.200 -0.154 0.000 0.817 73 S CB 1.789 64.850 63.200 -0.231 0.000 1.131 73 S HN 0.668 nan 8.310 nan 0.000 0.467 74 S N -0.706 114.913 115.700 -0.135 0.000 2.638 74 S HA 0.855 5.317 4.470 -0.014 0.000 0.274 74 S C -1.088 173.374 174.600 -0.230 0.000 1.157 74 S CA -0.762 57.286 58.200 -0.253 0.000 0.826 74 S CB 1.182 64.221 63.200 -0.268 0.000 1.139 74 S HN 1.892 nan 8.310 nan 0.000 0.474 75 c N 1.383 119.800 118.600 -0.305 0.000 2.891 75 c HA 0.669 5.231 4.570 -0.014 0.000 0.342 75 c C -2.022 171.945 174.090 -0.204 0.000 1.126 75 c CA -0.411 55.800 56.329 -0.197 0.000 1.322 75 c CB 0.839 43.256 42.510 -0.154 0.000 1.763 75 c HN 0.948 nan 8.230 nan 0.000 0.491 76 D N 4.264 124.596 120.400 -0.113 0.000 2.373 76 D HA 0.316 4.948 4.640 -0.014 0.000 0.227 76 D C 0.057 176.344 176.300 -0.022 0.000 1.091 76 D CA 0.082 54.052 54.000 -0.050 0.000 0.840 76 D CB 1.996 42.792 40.800 -0.007 0.000 1.060 76 D HN 0.448 nan 8.370 nan 0.000 0.502 77 V N 3.041 122.948 119.914 -0.013 0.000 2.599 77 V HA -0.072 4.039 4.120 -0.014 0.000 0.300 77 V C 0.992 177.110 176.094 0.040 0.000 1.034 77 V CA 0.030 62.332 62.300 0.004 0.000 1.115 77 V CB 0.398 32.222 31.823 0.002 0.000 0.934 77 V HN 0.377 nan 8.190 nan 0.000 0.485 78 Q N 2.745 122.567 119.800 0.037 0.000 2.352 78 Q HA 0.483 4.815 4.340 -0.014 0.000 0.260 78 Q C 0.857 176.905 176.000 0.080 0.000 0.976 78 Q CA 0.946 56.778 55.803 0.049 0.000 0.881 78 Q CB 1.019 29.780 28.738 0.039 0.000 1.235 78 Q HN 1.146 nan 8.270 nan 0.000 0.419 79 G N 1.130 109.975 108.800 0.074 0.000 2.545 79 G HA2 -0.144 3.808 3.960 -0.014 0.000 0.216 79 G HA3 -0.144 3.808 3.960 -0.014 0.000 0.216 79 G C 0.006 174.949 174.900 0.072 0.000 1.314 79 G CA -0.798 44.350 45.100 0.081 0.000 0.906 79 G HN 0.863 nan 8.290 nan 0.000 0.563 80 G N -0.449 108.367 108.800 0.026 0.000 2.588 80 G HA2 0.712 4.664 3.960 -0.014 0.000 0.281 80 G HA3 0.712 4.664 3.960 -0.014 0.000 0.281 80 G C 0.902 175.831 174.900 0.050 0.000 1.236 80 G CA 0.601 45.688 45.100 -0.022 0.000 0.969 80 G HN 1.811 nan 8.290 nan 0.000 0.504 81 G N -1.398 107.424 108.800 0.035 0.000 2.634 81 G HA2 0.345 4.297 3.960 -0.014 0.000 0.255 81 G HA3 0.345 4.297 3.960 -0.014 0.000 0.255 81 G C 1.329 176.301 174.900 0.121 0.000 1.205 81 G CA 0.058 45.203 45.100 0.074 0.000 0.884 81 G HN 0.927 nan 8.290 nan 0.000 0.549 82 I N -1.178 119.492 120.570 0.168 0.000 2.361 82 I HA -0.151 4.011 4.170 -0.014 0.000 0.251 82 I C 2.495 178.741 176.117 0.215 0.000 1.133 82 I CA 1.863 63.319 61.300 0.261 0.000 1.413 82 I CB -0.456 37.641 38.000 0.163 0.000 1.073 82 I HN 0.409 nan 8.210 nan 0.000 0.424 83 S N 1.566 117.330 115.700 0.107 0.000 2.442 83 S HA -0.157 4.305 4.470 -0.014 0.000 0.236 83 S C 2.052 176.657 174.600 0.008 0.000 1.007 83 S CA 1.017 59.256 58.200 0.066 0.000 0.965 83 S CB -0.997 62.231 63.200 0.046 0.000 0.773 83 S HN 0.745 nan 8.310 nan 0.000 0.504 84 S N 0.170 115.817 115.700 -0.089 0.000 2.507 84 S HA -0.001 4.461 4.470 -0.014 0.000 0.235 84 S C 0.738 175.126 174.600 -0.353 0.000 0.988 84 S CA 0.092 58.141 58.200 -0.251 0.000 0.944 84 S CB -0.826 62.154 63.200 -0.366 0.000 0.762 84 S HN 0.653 nan 8.310 nan 0.000 0.526 85 Y N 1.216 121.530 120.300 0.023 0.000 2.683 85 Y HA 0.645 5.187 4.550 -0.014 0.000 0.297 85 Y C 2.067 177.980 175.900 0.022 0.000 1.147 85 Y CA -0.625 57.488 58.100 0.021 0.000 1.274 85 Y CB -0.714 37.758 38.460 0.020 0.000 1.143 85 Y HN 0.327 nan 8.280 nan 0.000 0.527 86 A N 0.826 123.708 122.820 0.103 0.000 1.927 86 A HA -0.245 4.067 4.320 -0.014 0.000 0.220 86 A C 1.919 179.547 177.584 0.074 0.000 1.185 86 A CA 2.123 54.207 52.037 0.078 0.000 0.639 86 A CB -0.342 18.684 19.000 0.043 0.000 0.820 86 A HN 0.476 nan 8.150 nan 0.000 0.451 87 N N -0.807 117.935 118.700 0.070 0.000 2.280 87 N HA 0.030 4.762 4.740 -0.014 0.000 0.192 87 N C -0.510 175.044 175.510 0.073 0.000 1.109 87 N CA 0.423 53.509 53.050 0.059 0.000 0.855 87 N CB 0.569 39.081 38.487 0.041 0.000 0.974 87 N HN 0.383 nan 8.380 nan 0.000 0.482 88 D N 0.146 120.613 120.400 0.111 0.000 2.968 88 D HA 0.153 4.785 4.640 -0.014 0.000 0.301 88 D C -1.833 174.536 176.300 0.114 0.000 1.226 88 D CA -1.483 52.586 54.000 0.114 0.000 0.746 88 D CB 0.975 41.866 40.800 0.151 0.000 1.278 88 D HN -0.052 nan 8.370 nan 0.000 0.544 89 P HA -0.160 nan 4.420 nan 0.000 0.218 89 P C 1.442 178.739 177.300 -0.005 0.000 1.148 89 P CA 0.956 64.093 63.100 0.061 0.000 0.822 89 P CB 0.093 31.825 31.700 0.053 0.000 0.784 90 S N 0.107 115.797 115.700 -0.017 0.000 2.419 90 S HA -0.118 4.344 4.470 -0.014 0.000 0.233 90 S C 1.918 176.446 174.600 -0.120 0.000 1.016 90 S CA 0.874 59.045 58.200 -0.049 0.000 0.974 90 S CB -0.933 62.252 63.200 -0.026 0.000 0.786 90 S HN 0.179 nan 8.310 nan 0.000 0.492 91 K N 1.351 121.643 120.400 -0.179 0.000 2.283 91 K HA 0.111 4.423 4.320 -0.014 0.000 0.202 91 K C 2.435 178.594 176.600 -0.736 0.000 1.048 91 K CA 0.896 56.948 56.287 -0.391 0.000 0.948 91 K CB -0.452 31.834 32.500 -0.356 0.000 0.742 91 K HN 0.519 nan 8.250 nan 0.000 0.458 92 A N 1.255 123.724 122.820 -0.584 0.000 1.877 92 A HA -0.101 4.211 4.320 -0.014 0.000 0.216 92 A C 2.383 179.827 177.584 -0.232 0.000 1.186 92 A CA 1.937 53.719 52.037 -0.425 0.000 0.620 92 A CB -1.143 17.825 19.000 -0.054 0.000 0.822 92 A HN 0.406 nan 8.150 nan 0.000 0.443 93 G N -0.878 107.829 108.800 -0.156 0.000 2.459 93 G HA2 -0.317 3.635 3.960 -0.014 0.000 0.217 93 G HA3 -0.317 3.635 3.960 -0.014 0.000 0.217 93 G C 1.627 176.460 174.900 -0.111 0.000 1.183 93 G CA 1.424 46.462 45.100 -0.103 0.000 0.776 93 G HN 0.542 nan 8.290 nan 0.000 0.552 94 Q N 1.384 121.101 119.800 -0.137 0.000 2.124 94 Q HA -0.121 4.211 4.340 -0.014 0.000 0.202 94 Q C 2.701 178.635 176.000 -0.109 0.000 0.977 94 Q CA 2.002 57.742 55.803 -0.105 0.000 0.850 94 Q CB -0.547 28.126 28.738 -0.107 0.000 0.901 94 Q HN 0.540 nan 8.270 nan 0.000 0.429 95 S N -0.692 114.902 115.700 -0.177 0.000 2.420 95 S HA -0.153 4.309 4.470 -0.014 0.000 0.237 95 S C 1.700 176.262 174.600 -0.064 0.000 1.023 95 S CA 1.307 59.441 58.200 -0.109 0.000 0.991 95 S CB -0.492 62.637 63.200 -0.118 0.000 0.792 95 S HN 0.505 nan 8.310 nan 0.000 0.488 96 L N 0.654 121.827 121.223 -0.082 0.000 2.418 96 L HA 0.120 4.452 4.340 -0.014 0.000 0.218 96 L C 2.450 179.252 176.870 -0.114 0.000 1.125 96 L CA 0.142 54.926 54.840 -0.094 0.000 0.835 96 L CB -0.478 41.515 42.059 -0.109 0.000 0.953 96 L HN 0.216 nan 8.230 nan 0.000 0.454 97 V N 0.341 120.213 119.914 -0.069 0.000 2.287 97 V HA -0.313 3.799 4.120 -0.014 0.000 0.248 97 V C 2.743 178.821 176.094 -0.027 0.000 1.053 97 V CA 1.943 64.228 62.300 -0.024 0.000 1.027 97 V CB -0.556 31.294 31.823 0.045 0.000 0.646 97 V HN 0.477 nan 8.190 nan 0.000 0.447 98 R N -0.859 119.626 120.500 -0.025 0.000 2.081 98 R HA -0.192 4.140 4.340 -0.014 0.000 0.235 98 R C 2.288 178.563 176.300 -0.042 0.000 1.131 98 R CA 2.197 58.287 56.100 -0.017 0.000 0.960 98 R CB -0.516 29.777 30.300 -0.013 0.000 0.856 98 R HN 0.553 nan 8.270 nan 0.000 0.436 99 c N 0.284 118.838 118.600 -0.076 0.000 2.457 99 c HA 0.022 4.584 4.570 -0.014 0.000 0.278 99 c C 2.531 176.541 174.090 -0.132 0.000 1.309 99 c CA 0.284 56.552 56.329 -0.103 0.000 1.735 99 c CB -0.778 41.659 42.510 -0.122 0.000 1.992 99 c HN 0.496 nan 8.230 nan 0.000 0.493 100 L N 0.671 121.772 121.223 -0.204 0.000 2.093 100 L HA -0.125 4.207 4.340 -0.014 0.000 0.208 100 L C 2.709 179.514 176.870 -0.109 0.000 1.085 100 L CA 1.240 55.889 54.840 -0.318 0.000 0.755 100 L CB -0.596 40.941 42.059 -0.870 0.000 0.904 100 L HN 0.341 nan 8.230 nan 0.000 0.435 101 E N -0.165 120.032 120.200 -0.004 0.000 2.110 101 E HA -0.282 4.060 4.350 -0.014 0.000 0.193 101 E C 2.020 178.658 176.600 0.065 0.000 0.988 101 E CA 1.033 57.495 56.400 0.103 0.000 0.804 101 E CB -0.177 29.580 29.700 0.095 0.000 0.745 101 E HN 0.555 nan 8.360 nan 0.000 0.458 102 Q N 0.400 120.209 119.800 0.016 0.000 2.084 102 Q HA -0.128 4.204 4.340 -0.014 0.000 0.202 102 Q C 2.078 178.094 176.000 0.027 0.000 0.978 102 Q CA 1.470 57.279 55.803 0.009 0.000 0.844 102 Q CB -0.077 28.643 28.738 -0.029 0.000 0.898 102 Q HN 0.219 nan 8.270 nan 0.000 0.426 103 A N 0.697 123.524 122.820 0.013 0.000 1.978 103 A HA -0.164 4.148 4.320 -0.014 0.000 0.220 103 A C 2.010 179.730 177.584 0.226 0.000 1.170 103 A CA 1.114 53.169 52.037 0.030 0.000 0.636 103 A CB -0.623 18.286 19.000 -0.152 0.000 0.810 103 A HN 0.447 nan 8.150 nan 0.000 0.448 104 L N -1.310 120.047 121.223 0.223 0.000 2.093 104 L HA -0.174 4.158 4.340 -0.014 0.000 0.208 104 L C 2.853 179.859 176.870 0.227 0.000 1.085 104 L CA 1.395 56.308 54.840 0.121 0.000 0.755 104 L CB -0.416 41.701 42.059 0.098 0.000 0.904 104 L HN 0.360 nan 8.230 nan 0.000 0.435 105 R N -0.377 120.212 120.500 0.148 0.000 2.075 105 R HA -0.085 4.247 4.340 -0.014 0.000 0.226 105 R C 1.820 178.190 176.300 0.117 0.000 1.114 105 R CA 1.068 57.237 56.100 0.116 0.000 0.972 105 R CB -0.240 30.104 30.300 0.073 0.000 0.869 105 R HN 0.287 nan 8.270 nan 0.000 0.437 106 D N 0.307 120.777 120.400 0.115 0.000 2.178 106 D HA -0.053 4.579 4.640 -0.014 0.000 0.202 106 D C 0.328 176.701 176.300 0.121 0.000 0.974 106 D CA 0.902 54.999 54.000 0.162 0.000 0.841 106 D CB 0.167 41.045 40.800 0.130 0.000 0.953 106 D HN -0.061 nan 8.370 nan 0.000 0.478 107 V N 2.230 122.162 119.914 0.029 0.000 2.394 107 V HA 0.246 4.358 4.120 -0.014 0.000 0.282 107 V C -2.231 173.845 176.094 -0.030 0.000 1.031 107 V CA -1.925 60.237 62.300 -0.229 0.000 0.881 107 V CB 1.659 33.442 31.823 -0.066 0.000 0.982 107 V HN -0.127 nan 8.190 nan 0.000 0.451 108 P HA 0.149 nan 4.420 nan 0.000 0.264 108 P C 0.691 177.805 177.300 -0.310 0.000 1.183 108 P CA 0.125 63.115 63.100 -0.182 0.000 0.763 108 P CB 0.534 32.142 31.700 -0.155 0.000 0.807 109 R N 2.578 122.799 120.500 -0.465 0.000 2.096 109 R HA -0.141 4.191 4.340 -0.014 0.000 0.235 109 R C 1.576 177.566 176.300 -0.517 0.000 1.127 109 R CA 1.731 57.298 56.100 -0.888 0.000 0.968 109 R CB -0.531 29.465 30.300 -0.506 0.000 0.861 109 R HN 0.663 nan 8.270 nan 0.000 0.440 110 D N 0.116 120.363 120.400 -0.255 0.000 2.378 110 D HA -0.164 4.468 4.640 -0.014 0.000 0.222 110 D C 1.309 177.565 176.300 -0.073 0.000 0.980 110 D CA 0.857 54.778 54.000 -0.132 0.000 0.907 110 D CB 0.021 40.773 40.800 -0.079 0.000 0.899 110 D HN 0.090 nan 8.370 nan 0.000 0.527 111 R N -0.807 119.650 120.500 -0.071 0.000 2.335 111 R HA 0.213 4.544 4.340 -0.014 0.000 0.210 111 R C 1.969 178.369 176.300 0.166 0.000 0.892 111 R CA 0.080 56.206 56.100 0.045 0.000 1.048 111 R CB -0.177 30.158 30.300 0.059 0.000 1.067 111 R HN 0.359 nan 8.270 nan 0.000 0.524 112 H N -0.372 118.712 119.070 0.024 0.000 2.265 112 H HA -0.206 4.342 4.556 -0.014 0.000 0.293 112 H C 1.899 177.280 175.328 0.088 0.000 1.089 112 H CA 1.252 57.327 56.048 0.045 0.000 1.244 112 H CB 0.069 29.708 29.762 -0.205 0.000 1.355 112 H HN 0.300 nan 8.280 nan 0.000 0.485 113 A N 0.665 123.580 122.820 0.158 0.000 2.024 113 A HA -0.174 4.138 4.320 -0.014 0.000 0.220 113 A C 2.321 179.979 177.584 0.123 0.000 1.164 113 A CA 1.819 53.919 52.037 0.106 0.000 0.643 113 A CB -0.373 18.660 19.000 0.054 0.000 0.806 113 A HN 0.532 nan 8.150 nan 0.000 0.451 114 S N -1.948 113.831 115.700 0.132 0.000 2.554 114 S HA 0.174 4.636 4.470 -0.014 0.000 0.226 114 S C 0.271 174.963 174.600 0.153 0.000 0.980 114 S CA 0.076 58.348 58.200 0.121 0.000 0.939 114 S CB -0.252 63.002 63.200 0.091 0.000 0.832 114 S HN 0.208 nan 8.310 nan 0.000 0.486 115 T N 6.212 120.893 114.554 0.211 0.000 2.728 115 T HA 0.400 4.742 4.350 -0.014 0.000 0.296 115 T C -2.709 172.095 174.700 0.172 0.000 0.940 115 T CA -1.344 60.889 62.100 0.220 0.000 1.013 115 T CB 1.190 70.227 68.868 0.281 0.000 0.912 115 T HN 0.272 nan 8.240 nan 0.000 0.484 116 P HA 0.315 nan 4.420 nan 0.000 0.275 116 P C -0.917 176.283 177.300 -0.168 0.000 1.228 116 P CA -0.724 62.324 63.100 -0.087 0.000 0.786 116 P CB 0.832 32.451 31.700 -0.134 0.000 0.927 117 L N 4.322 125.377 121.223 -0.280 0.000 2.376 117 L HA 0.518 4.850 4.340 -0.014 0.000 0.275 117 L C -1.621 175.135 176.870 -0.190 0.000 0.987 117 L CA -0.739 54.028 54.840 -0.122 0.000 0.828 117 L CB 1.032 43.135 42.059 0.073 0.000 1.249 117 L HN 0.208 nan 8.230 nan 0.000 0.409 118 Y N 4.669 125.102 120.300 0.220 0.000 2.485 118 Y HA 0.676 5.219 4.550 -0.013 0.000 0.345 118 Y C -0.653 175.450 175.900 0.339 0.000 0.998 118 Y CA -0.830 57.424 58.100 0.256 0.000 1.059 118 Y CB 2.068 40.678 38.460 0.250 0.000 1.234 118 Y HN 0.601 nan 8.280 nan 0.000 0.461 119 L N 1.962 123.500 121.223 0.526 0.000 2.356 119 L HA 0.931 5.263 4.340 -0.014 0.000 0.277 119 L C -0.377 176.738 176.870 0.408 0.000 0.996 119 L CA -0.292 54.801 54.840 0.422 0.000 0.822 119 L CB 1.343 43.602 42.059 0.335 0.000 1.256 119 L HN 0.819 nan 8.230 nan 0.000 0.413 120 G N 3.543 112.571 108.800 0.380 0.000 2.470 120 G HA2 0.733 4.685 3.960 -0.014 0.000 0.320 120 G HA3 0.733 4.685 3.960 -0.014 0.000 0.320 120 G C -1.318 173.680 174.900 0.164 0.000 1.245 120 G CA -0.342 44.832 45.100 0.123 0.000 0.935 120 G HN 0.860 nan 8.290 nan 0.000 0.476 121 A N 1.766 124.594 122.820 0.014 0.000 2.340 121 A HA 0.904 5.215 4.320 -0.014 0.000 0.331 121 A C 0.731 178.276 177.584 -0.066 0.000 1.140 121 A CA 0.080 52.143 52.037 0.043 0.000 0.801 121 A CB 1.393 20.429 19.000 0.061 0.000 1.234 121 A HN 1.170 nan 8.150 nan 0.000 0.469 122 T N -1.228 113.330 114.554 0.006 0.000 2.747 122 T HA 0.577 4.919 4.350 -0.014 0.000 0.236 122 T C 1.552 176.261 174.700 0.015 0.000 1.046 122 T CA 0.485 62.562 62.100 -0.038 0.000 1.054 122 T CB -0.151 68.721 68.868 0.007 0.000 2.287 122 T HN 1.153 nan 8.240 nan 0.000 0.523 123 A N 0.363 123.214 122.820 0.052 0.000 2.067 123 A HA 0.295 4.606 4.320 -0.014 0.000 0.219 123 A C 2.372 179.989 177.584 0.055 0.000 1.158 123 A CA 1.609 53.677 52.037 0.052 0.000 0.661 123 A CB -1.736 17.310 19.000 0.077 0.000 0.801 123 A HN 0.925 nan 8.150 nan 0.000 0.452 124 G N -0.434 108.407 108.800 0.069 0.000 2.446 124 G HA2 -0.239 3.713 3.960 -0.014 0.000 0.217 124 G HA3 -0.239 3.713 3.960 -0.014 0.000 0.217 124 G C 1.496 176.424 174.900 0.046 0.000 1.168 124 G CA 1.328 46.462 45.100 0.057 0.000 0.771 124 G HN 0.352 nan 8.290 nan 0.000 0.551 125 M N 0.262 119.890 119.600 0.048 0.000 2.175 125 M HA 0.070 4.542 4.480 -0.014 0.000 0.264 125 M C 2.617 178.934 176.300 0.028 0.000 1.063 125 M CA 0.846 56.171 55.300 0.041 0.000 1.119 125 M CB -0.898 31.729 32.600 0.045 0.000 1.377 125 M HN 0.231 nan 8.290 nan 0.000 0.415 126 R N 0.068 120.580 120.500 0.019 0.000 2.081 126 R HA -0.089 4.243 4.340 -0.014 0.000 0.235 126 R C 2.279 178.591 176.300 0.020 0.000 1.131 126 R CA 1.140 57.247 56.100 0.012 0.000 0.960 126 R CB -0.544 29.757 30.300 0.001 0.000 0.856 126 R HN 0.351 nan 8.270 nan 0.000 0.436 127 L N 0.353 121.592 121.223 0.026 0.000 2.027 127 L HA -0.187 4.145 4.340 -0.014 0.000 0.206 127 L C 2.425 179.310 176.870 0.024 0.000 1.074 127 L CA 0.671 55.527 54.840 0.026 0.000 0.745 127 L CB -0.409 41.665 42.059 0.025 0.000 0.898 127 L HN 0.169 nan 8.230 nan 0.000 0.433 128 L N 0.203 121.441 121.223 0.026 0.000 2.127 128 L HA -0.250 4.082 4.340 -0.014 0.000 0.211 128 L C 2.182 179.068 176.870 0.027 0.000 1.089 128 L CA 1.719 56.575 54.840 0.028 0.000 0.757 128 L CB -0.953 41.127 42.059 0.034 0.000 0.899 128 L HN 0.304 nan 8.230 nan 0.000 0.434 129 N N -0.580 118.135 118.700 0.026 0.000 2.309 129 N HA -0.155 4.577 4.740 -0.014 0.000 0.182 129 N C 1.828 177.350 175.510 0.021 0.000 1.018 129 N CA 1.082 54.147 53.050 0.024 0.000 0.876 129 N CB 0.045 38.545 38.487 0.021 0.000 0.972 129 N HN 0.445 nan 8.380 nan 0.000 0.434 130 L N 0.066 121.302 121.223 0.021 0.000 2.109 130 L HA -0.081 4.250 4.340 -0.014 0.000 0.207 130 L C 2.199 179.081 176.870 0.020 0.000 1.086 130 L CA 0.958 55.811 54.840 0.021 0.000 0.760 130 L CB -0.434 41.638 42.059 0.022 0.000 0.910 130 L HN 0.110 nan 8.230 nan 0.000 0.437 131 T N -2.253 112.313 114.554 0.021 0.000 2.809 131 T HA -0.057 4.285 4.350 -0.014 0.000 0.260 131 T C 0.913 175.625 174.700 0.020 0.000 1.039 131 T CA 0.992 63.104 62.100 0.020 0.000 1.141 131 T CB 0.092 68.972 68.868 0.020 0.000 0.869 131 T HN 0.147 nan 8.240 nan 0.000 0.437 132 S N 0.613 116.327 115.700 0.023 0.000 2.446 132 S HA 0.360 4.822 4.470 -0.014 0.000 0.230 132 S C -2.595 172.021 174.600 0.026 0.000 1.051 132 S CA -1.173 57.041 58.200 0.024 0.000 1.113 132 S CB 1.341 64.556 63.200 0.025 0.000 1.184 132 S HN -0.115 nan 8.310 nan 0.000 0.435 133 P HA -0.057 nan 4.420 nan 0.000 0.219 133 P C 0.810 178.128 177.300 0.030 0.000 1.146 133 P CA 1.076 64.192 63.100 0.026 0.000 0.808 133 P CB 0.280 31.994 31.700 0.023 0.000 0.779 134 E N -0.332 119.885 120.200 0.028 0.000 2.051 134 E HA -0.046 4.295 4.350 -0.014 0.000 0.189 134 E C 2.202 178.822 176.600 0.034 0.000 0.979 134 E CA 1.290 57.708 56.400 0.030 0.000 0.803 134 E CB -1.191 28.524 29.700 0.026 0.000 0.761 134 E HN 0.081 nan 8.360 nan 0.000 0.451 135 A N 0.553 123.394 122.820 0.035 0.000 1.908 135 A HA -0.221 4.091 4.320 -0.014 0.000 0.218 135 A C 2.331 179.944 177.584 0.049 0.000 1.181 135 A CA 2.164 54.227 52.037 0.042 0.000 0.627 135 A CB -1.174 17.850 19.000 0.041 0.000 0.818 135 A HN 0.278 nan 8.150 nan 0.000 0.445 136 T N 0.533 115.114 114.554 0.045 0.000 2.652 136 T HA -0.104 4.238 4.350 -0.014 0.000 0.267 136 T C 2.257 176.989 174.700 0.053 0.000 1.039 136 T CA 1.954 64.084 62.100 0.049 0.000 1.153 136 T CB -0.655 68.238 68.868 0.042 0.000 0.863 136 T HN 0.642 nan 8.240 nan 0.000 0.428 137 A N 1.841 124.689 122.820 0.047 0.000 1.892 137 A HA -0.195 4.117 4.320 -0.014 0.000 0.218 137 A C 2.401 180.016 177.584 0.052 0.000 1.188 137 A CA 1.751 53.818 52.037 0.049 0.000 0.631 137 A CB -0.595 18.430 19.000 0.042 0.000 0.822 137 A HN 0.437 nan 8.150 nan 0.000 0.447 138 R N -0.877 119.652 120.500 0.048 0.000 2.096 138 R HA -0.074 4.258 4.340 -0.014 0.000 0.235 138 R C 2.037 178.368 176.300 0.053 0.000 1.127 138 R CA 1.403 57.531 56.100 0.047 0.000 0.968 138 R CB -0.558 29.768 30.300 0.043 0.000 0.861 138 R HN 0.412 nan 8.270 nan 0.000 0.440 139 V N 1.504 121.456 119.914 0.063 0.000 2.343 139 V HA -0.216 3.896 4.120 -0.014 0.000 0.247 139 V C 2.273 178.409 176.094 0.070 0.000 1.051 139 V CA 1.573 63.917 62.300 0.072 0.000 1.036 139 V CB -0.353 31.526 31.823 0.093 0.000 0.654 139 V HN 0.294 nan 8.190 nan 0.000 0.451 140 L N -0.541 120.728 121.223 0.076 0.000 2.093 140 L HA -0.158 4.174 4.340 -0.014 0.000 0.208 140 L C 2.535 179.460 176.870 0.092 0.000 1.085 140 L CA 1.436 56.331 54.840 0.091 0.000 0.755 140 L CB -0.501 41.615 42.059 0.094 0.000 0.904 140 L HN 0.381 nan 8.230 nan 0.000 0.435 141 E N 0.182 120.426 120.200 0.073 0.000 2.051 141 E HA -0.219 4.123 4.350 -0.014 0.000 0.192 141 E C 2.319 178.949 176.600 0.049 0.000 0.991 141 E CA 1.237 57.677 56.400 0.066 0.000 0.799 141 E CB -0.171 29.560 29.700 0.053 0.000 0.748 141 E HN 0.485 nan 8.360 nan 0.000 0.449 142 A N 1.060 123.901 122.820 0.034 0.000 1.877 142 A HA -0.182 4.130 4.320 -0.014 0.000 0.216 142 A C 2.560 180.140 177.584 -0.007 0.000 1.186 142 A CA 1.852 53.893 52.037 0.008 0.000 0.620 142 A CB -1.014 17.984 19.000 -0.003 0.000 0.822 142 A HN 0.252 nan 8.150 nan 0.000 0.443 143 V N -2.689 117.231 119.914 0.010 0.000 2.358 143 V HA -0.170 3.942 4.120 -0.014 0.000 0.246 143 V C 2.171 178.236 176.094 -0.049 0.000 1.047 143 V CA 2.736 65.030 62.300 -0.010 0.000 1.035 143 V CB -1.845 29.998 31.823 0.033 0.000 0.658 143 V HN 0.411 nan 8.190 nan 0.000 0.452 144 T N -0.227 114.342 114.554 0.026 0.000 2.652 144 T HA -0.245 4.097 4.350 -0.014 0.000 0.267 144 T C 2.005 176.657 174.700 -0.081 0.000 1.039 144 T CA 2.188 64.311 62.100 0.038 0.000 1.153 144 T CB -0.447 68.554 68.868 0.223 0.000 0.863 144 T HN 0.565 nan 8.240 nan 0.000 0.428 145 Q N 0.326 120.116 119.800 -0.017 0.000 2.077 145 Q HA -0.161 4.170 4.340 -0.014 0.000 0.206 145 Q C 2.422 178.390 176.000 -0.054 0.000 0.989 145 Q CA 1.860 57.650 55.803 -0.021 0.000 0.853 145 Q CB -0.535 28.202 28.738 -0.001 0.000 0.907 145 Q HN 0.491 nan 8.270 nan 0.000 0.418 146 T N 1.441 115.958 114.554 -0.061 0.000 2.708 146 T HA -0.096 4.246 4.350 -0.014 0.000 0.266 146 T C 1.989 176.679 174.700 -0.016 0.000 1.037 146 T CA 1.118 63.205 62.100 -0.021 0.000 1.146 146 T CB -0.186 68.666 68.868 -0.026 0.000 0.865 146 T HN 0.223 nan 8.240 nan 0.000 0.435 147 L N 1.329 122.405 121.223 -0.246 0.000 2.093 147 L HA -0.072 4.260 4.340 -0.014 0.000 0.208 147 L C 3.000 179.657 176.870 -0.354 0.000 1.085 147 L CA 1.462 56.047 54.840 -0.425 0.000 0.755 147 L CB -1.125 40.348 42.059 -0.977 0.000 0.904 147 L HN 0.420 nan 8.230 nan 0.000 0.435 148 T N -3.398 110.934 114.554 -0.371 0.000 2.977 148 T HA -0.161 4.180 4.350 -0.014 0.000 0.271 148 T C 1.691 176.386 174.700 -0.008 0.000 1.105 148 T CA 0.655 62.706 62.100 -0.082 0.000 1.116 148 T CB -0.183 68.700 68.868 0.025 0.000 0.878 148 T HN 0.287 nan 8.240 nan 0.000 0.509 149 Q N -0.038 119.754 119.800 -0.014 0.000 2.369 149 Q HA 0.128 4.459 4.340 -0.014 0.000 0.206 149 Q C -0.108 175.748 176.000 -0.240 0.000 0.963 149 Q CA 0.546 56.281 55.803 -0.114 0.000 0.894 149 Q CB -0.385 28.244 28.738 -0.181 0.000 0.965 149 Q HN 0.655 nan 8.270 nan 0.000 0.475 150 Y N 1.361 121.608 120.300 -0.089 0.000 2.354 150 Y HA 0.152 4.693 4.550 -0.014 0.000 0.322 150 Y C -1.155 174.640 175.900 -0.175 0.000 1.253 150 Y CA -2.142 55.880 58.100 -0.130 0.000 1.272 150 Y CB 0.505 38.941 38.460 -0.041 0.000 1.255 150 Y HN -0.090 nan 8.280 nan 0.000 0.500 151 P HA -0.003 nan 4.420 nan 0.000 0.249 151 P C -0.483 176.706 177.300 -0.186 0.000 1.229 151 P CA 0.434 63.397 63.100 -0.228 0.000 0.788 151 P CB 0.031 31.584 31.700 -0.246 0.000 1.072 152 F N 1.296 121.290 119.950 0.073 0.000 2.485 152 F HA 0.124 4.643 4.527 -0.013 0.000 0.327 152 F C 1.358 177.214 175.800 0.093 0.000 1.203 152 F CA -0.497 57.541 58.000 0.064 0.000 1.295 152 F CB -0.329 38.691 39.000 0.032 0.000 1.191 152 F HN -0.214 nan 8.300 nan 0.000 0.588 153 D N 1.731 122.295 120.400 0.274 0.000 2.455 153 D HA 0.004 4.636 4.640 -0.014 0.000 0.234 153 D C -0.731 175.646 176.300 0.127 0.000 1.224 153 D CA -0.171 53.923 54.000 0.156 0.000 0.999 153 D CB -0.826 40.030 40.800 0.093 0.000 1.072 153 D HN 0.249 nan 8.370 nan 0.000 0.514 154 F N 2.950 122.922 119.950 0.037 0.000 2.502 154 F HA 0.254 4.773 4.527 -0.013 0.000 0.371 154 F C 0.839 176.616 175.800 -0.038 0.000 1.083 154 F CA -0.232 57.767 58.000 -0.002 0.000 1.174 154 F CB 0.638 39.677 39.000 0.065 0.000 1.096 154 F HN 0.264 nan 8.300 nan 0.000 0.545 155 R N 3.708 123.811 120.500 -0.662 0.000 2.432 155 R HA 0.401 4.733 4.340 -0.014 0.000 0.260 155 R C 0.073 176.041 176.300 -0.555 0.000 0.935 155 R CA 0.132 55.915 56.100 -0.529 0.000 1.080 155 R CB 0.267 30.334 30.300 -0.389 0.000 1.155 155 R HN 0.950 nan 8.270 nan 0.000 0.531 156 G N 0.055 108.156 108.800 -1.164 0.000 2.428 156 G HA2 0.147 4.099 3.960 -0.014 0.000 0.681 156 G HA3 0.147 4.099 3.960 -0.014 0.000 0.681 156 G C -1.506 173.363 174.900 -0.051 0.000 1.340 156 G CA -0.583 44.105 45.100 -0.686 0.000 0.915 156 G HN 0.170 nan 8.290 nan 0.000 0.645 157 A N 1.544 124.497 122.820 0.220 0.000 2.271 157 A HA 0.916 5.228 4.320 -0.014 0.000 0.317 157 A C 0.321 178.025 177.584 0.200 0.000 1.245 157 A CA -0.493 51.725 52.037 0.302 0.000 0.857 157 A CB 0.835 20.040 19.000 0.340 0.000 1.175 157 A HN 0.760 nan 8.150 nan 0.000 0.512 158 R N 1.830 122.447 120.500 0.195 0.000 2.837 158 R HA 0.527 4.858 4.340 -0.014 0.000 0.271 158 R C -1.176 175.169 176.300 0.074 0.000 0.993 158 R CA -0.725 55.457 56.100 0.136 0.000 0.931 158 R CB 1.626 32.027 30.300 0.169 0.000 1.206 158 R HN 0.688 nan 8.270 nan 0.000 0.474 159 I N 2.675 123.266 120.570 0.036 0.000 2.325 159 I HA 0.148 4.310 4.170 -0.014 0.000 0.291 159 I C 0.026 176.102 176.117 -0.069 0.000 1.019 159 I CA -0.747 60.540 61.300 -0.021 0.000 1.302 159 I CB 0.709 38.707 38.000 -0.003 0.000 1.401 159 I HN 0.133 nan 8.210 nan 0.000 0.485 160 L N 5.884 126.996 121.223 -0.186 0.000 2.417 160 L HA 0.197 4.529 4.340 -0.014 0.000 0.268 160 L C 0.794 177.564 176.870 -0.167 0.000 1.158 160 L CA 0.418 55.123 54.840 -0.226 0.000 0.819 160 L CB 1.114 42.869 42.059 -0.507 0.000 1.112 160 L HN 0.721 nan 8.230 nan 0.000 0.458 161 S N 0.752 116.375 115.700 -0.127 0.000 2.600 161 S HA 0.279 4.741 4.470 -0.014 0.000 0.265 161 S C 1.316 175.815 174.600 -0.168 0.000 1.325 161 S CA -0.228 57.895 58.200 -0.127 0.000 1.002 161 S CB 0.947 64.080 63.200 -0.113 0.000 0.921 161 S HN 0.788 nan 8.310 nan 0.000 0.554 162 G N 0.528 109.231 108.800 -0.162 0.000 2.442 162 G HA2 -0.192 3.760 3.960 -0.014 0.000 0.219 162 G HA3 -0.192 3.760 3.960 -0.014 0.000 0.219 162 G C 1.267 176.043 174.900 -0.207 0.000 1.141 162 G CA 0.930 45.922 45.100 -0.179 0.000 0.763 162 G HN 0.727 nan 8.290 nan 0.000 0.554 163 Q N 0.437 120.099 119.800 -0.229 0.000 2.050 163 Q HA -0.037 4.294 4.340 -0.014 0.000 0.202 163 Q C 2.330 178.158 176.000 -0.288 0.000 0.980 163 Q CA 1.588 57.236 55.803 -0.258 0.000 0.840 163 Q CB -0.197 28.392 28.738 -0.248 0.000 0.898 163 Q HN 0.323 nan 8.270 nan 0.000 0.424 164 D N 0.302 120.530 120.400 -0.287 0.000 2.106 164 D HA -0.219 4.413 4.640 -0.014 0.000 0.191 164 D C 1.718 177.863 176.300 -0.258 0.000 0.997 164 D CA 1.339 55.107 54.000 -0.388 0.000 0.834 164 D CB -0.209 40.526 40.800 -0.108 0.000 0.956 164 D HN 0.380 nan 8.370 nan 0.000 0.448 165 E N 0.068 120.149 120.200 -0.199 0.000 2.077 165 E HA -0.136 4.205 4.350 -0.014 0.000 0.193 165 E C 2.117 178.764 176.600 0.079 0.000 0.989 165 E CA 1.329 57.628 56.400 -0.168 0.000 0.800 165 E CB -0.241 29.309 29.700 -0.250 0.000 0.746 165 E HN 0.271 nan 8.360 nan 0.000 0.452 166 G N 0.386 109.192 108.800 0.011 0.000 2.414 166 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.215 166 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.215 166 G C 1.657 176.629 174.900 0.121 0.000 1.188 166 G CA 0.938 46.092 45.100 0.089 0.000 0.783 166 G HN 0.232 nan 8.290 nan 0.000 0.537 167 V N 0.568 120.438 119.914 -0.073 0.000 2.343 167 V HA -0.115 3.997 4.120 -0.014 0.000 0.247 167 V C 2.553 178.735 176.094 0.146 0.000 1.051 167 V CA 1.436 63.685 62.300 -0.086 0.000 1.036 167 V CB -0.653 30.951 31.823 -0.365 0.000 0.654 167 V HN 0.259 nan 8.190 nan 0.000 0.451 168 F N 1.492 121.575 119.950 0.222 0.000 2.234 168 F HA 0.039 4.558 4.527 -0.013 0.000 0.299 168 F C 2.380 178.358 175.800 0.296 0.000 1.087 168 F CA 1.018 59.176 58.000 0.263 0.000 1.340 168 F CB -1.474 37.708 39.000 0.304 0.000 1.031 168 F HN 0.191 nan 8.300 nan 0.000 0.500 169 G N -1.399 107.722 108.800 0.535 0.000 2.408 169 G HA2 -0.307 3.645 3.960 -0.014 0.000 0.217 169 G HA3 -0.307 3.645 3.960 -0.014 0.000 0.217 169 G C 1.593 176.700 174.900 0.345 0.000 1.150 169 G CA 0.507 45.863 45.100 0.425 0.000 0.776 169 G HN 0.489 nan 8.290 nan 0.000 0.542 170 W N 0.962 122.393 121.300 0.219 0.000 2.358 170 W HA -0.097 4.555 4.660 -0.013 0.000 0.303 170 W C 2.429 179.040 176.519 0.153 0.000 1.208 170 W CA 1.673 59.112 57.345 0.157 0.000 1.274 170 W CB -0.174 29.360 29.460 0.123 0.000 1.138 170 W HN 0.033 nan 8.180 nan 0.000 0.515 171 V N 0.452 120.633 119.914 0.446 0.000 2.295 171 V HA -0.349 3.763 4.120 -0.014 0.000 0.246 171 V C 2.257 178.431 176.094 0.134 0.000 1.049 171 V CA 2.454 64.950 62.300 0.327 0.000 1.024 171 V CB -1.465 30.596 31.823 0.396 0.000 0.648 171 V HN 0.208 nan 8.190 nan 0.000 0.447 172 T N 0.604 115.208 114.554 0.084 0.000 2.624 172 T HA -0.282 4.060 4.350 -0.014 0.000 0.268 172 T C 2.057 176.701 174.700 -0.093 0.000 1.041 172 T CA 2.064 64.140 62.100 -0.039 0.000 1.159 172 T CB -0.561 68.249 68.868 -0.098 0.000 0.863 172 T HN 0.593 nan 8.240 nan 0.000 0.434 173 A N 2.265 124.978 122.820 -0.179 0.000 1.883 173 A HA -0.164 4.147 4.320 -0.014 0.000 0.217 173 A C 2.283 179.671 177.584 -0.326 0.000 1.186 173 A CA 1.647 53.535 52.037 -0.249 0.000 0.624 173 A CB -0.649 18.203 19.000 -0.247 0.000 0.822 173 A HN 0.479 nan 8.150 nan 0.000 0.444 174 N N -1.913 116.478 118.700 -0.515 0.000 2.270 174 N HA -0.127 4.605 4.740 -0.014 0.000 0.181 174 N C 1.650 176.706 175.510 -0.756 0.000 1.016 174 N CA 1.428 53.974 53.050 -0.841 0.000 0.870 174 N CB -0.361 37.241 38.487 -1.475 0.000 0.979 174 N HN 0.673 nan 8.380 nan 0.000 0.431 175 Y N 2.136 122.191 120.300 -0.408 0.000 2.114 175 Y HA -0.098 4.443 4.550 -0.014 0.000 0.284 175 Y C 2.280 178.080 175.900 -0.167 0.000 1.143 175 Y CA 1.384 59.417 58.100 -0.112 0.000 1.135 175 Y CB -0.430 38.060 38.460 0.050 0.000 0.980 175 Y HN -0.070 nan 8.280 nan 0.000 0.499 176 L N -0.318 120.895 121.223 -0.016 0.000 2.131 176 L HA -0.210 4.121 4.340 -0.014 0.000 0.210 176 L C 1.914 178.683 176.870 -0.168 0.000 1.092 176 L CA 1.044 55.842 54.840 -0.070 0.000 0.759 176 L CB -0.360 41.678 42.059 -0.035 0.000 0.903 176 L HN 0.314 nan 8.230 nan 0.000 0.435 177 L N -0.841 120.248 121.223 -0.224 0.000 2.607 177 L HA 0.071 4.402 4.340 -0.014 0.000 0.228 177 L C 0.311 177.051 176.870 -0.217 0.000 1.123 177 L CA 0.034 54.748 54.840 -0.210 0.000 0.890 177 L CB -0.056 41.870 42.059 -0.222 0.000 1.103 177 L HN 0.238 nan 8.230 nan 0.000 0.468 178 E N -0.110 119.920 120.200 -0.283 0.000 2.416 178 E HA -0.230 4.112 4.350 -0.014 0.000 0.249 178 E C 0.173 176.685 176.600 -0.147 0.000 1.124 178 E CA 0.146 56.407 56.400 -0.231 0.000 0.732 178 E CB -1.288 28.341 29.700 -0.118 0.000 1.286 178 E HN 0.457 nan 8.360 nan 0.000 0.394 179 N N -0.659 117.820 118.700 -0.368 0.000 2.467 179 N HA 0.013 4.745 4.740 -0.014 0.000 0.184 179 N C 0.714 176.099 175.510 -0.209 0.000 1.106 179 N CA 0.605 53.476 53.050 -0.298 0.000 0.892 179 N CB 0.075 38.266 38.487 -0.493 0.000 0.969 179 N HN 0.218 nan 8.380 nan 0.000 0.454 180 F N 0.665 120.569 119.950 -0.077 0.000 2.765 180 F HA 0.266 4.785 4.527 -0.014 0.000 0.302 180 F C 0.949 176.656 175.800 -0.155 0.000 1.111 180 F CA -0.703 57.275 58.000 -0.037 0.000 1.359 180 F CB -0.112 38.887 39.000 -0.001 0.000 1.097 180 F HN -0.147 nan 8.300 nan 0.000 0.577 181 I N 1.499 121.994 120.570 -0.125 0.000 2.710 181 I HA -0.081 4.081 4.170 -0.014 0.000 0.286 181 I C 0.711 176.614 176.117 -0.357 0.000 1.181 181 I CA -0.121 60.950 61.300 -0.383 0.000 1.430 181 I CB 0.349 37.910 38.000 -0.732 0.000 1.367 181 I HN -0.055 nan 8.210 nan 0.000 0.577 182 K N 7.230 127.449 120.400 -0.301 0.000 2.262 182 K HA 0.155 4.466 4.320 -0.014 0.000 0.288 182 K C -1.072 175.444 176.600 -0.140 0.000 1.090 182 K CA -0.045 56.076 56.287 -0.277 0.000 0.918 182 K CB -0.209 31.881 32.500 -0.683 0.000 1.139 182 K HN 0.186 nan 8.250 nan 0.000 0.462 183 Y N 2.654 123.033 120.300 0.132 0.000 2.309 183 Y HA 0.478 5.019 4.550 -0.014 0.000 0.327 183 Y C 1.452 177.523 175.900 0.285 0.000 1.172 183 Y CA 1.281 59.494 58.100 0.189 0.000 1.280 183 Y CB 1.392 39.911 38.460 0.099 0.000 1.234 183 Y HN 0.859 nan 8.280 nan 0.000 0.512 184 G N 1.444 110.462 108.800 0.364 0.000 2.306 184 G HA2 0.062 4.014 3.960 -0.014 0.000 0.262 184 G HA3 0.062 4.014 3.960 -0.014 0.000 0.262 184 G C -1.726 173.134 174.900 -0.067 0.000 1.263 184 G CA -0.541 44.555 45.100 -0.007 0.000 1.088 184 G HN 0.989 nan 8.290 nan 0.000 0.489 185 W N -2.385 118.400 121.300 -0.860 0.000 2.959 185 W HA 0.709 5.362 4.660 -0.011 0.000 0.358 185 W C -0.050 175.631 176.519 -1.397 0.000 1.228 185 W CA -0.858 55.923 57.345 -0.941 0.000 1.183 185 W CB 0.824 30.058 29.460 -0.377 0.000 1.467 185 W HN 1.223 nan 8.180 nan 0.000 0.578 186 V N 3.909 123.529 119.914 -0.490 0.000 2.625 186 V HA 0.289 4.401 4.120 -0.014 0.000 0.305 186 V C 1.232 177.155 176.094 -0.286 0.000 1.055 186 V CA 2.736 64.894 62.300 -0.236 0.000 1.209 186 V CB 0.211 32.089 31.823 0.091 0.000 0.877 186 V HN 1.963 nan 8.190 nan 0.000 0.489 187 G N 5.182 113.810 108.800 -0.287 0.000 2.205 187 G HA2 -0.307 3.645 3.960 -0.014 0.000 0.261 187 G HA3 -0.307 3.645 3.960 -0.014 0.000 0.261 187 G C 0.535 175.210 174.900 -0.374 0.000 0.980 187 G CA 0.530 45.516 45.100 -0.190 0.000 0.632 187 G HN 1.142 nan 8.290 nan 0.000 0.533 188 R N -0.473 119.523 120.500 -0.840 0.000 2.837 188 R HA 0.350 4.681 4.340 -0.014 0.000 0.245 188 R C -0.902 174.775 176.300 -1.038 0.000 1.712 188 R CA -0.760 54.809 56.100 -0.885 0.000 1.539 188 R CB -0.060 29.641 30.300 -0.999 0.000 1.490 188 R HN 0.224 nan 8.270 nan 0.000 0.667 189 W N 4.235 125.342 121.300 -0.322 0.000 2.315 189 W HA 0.318 4.970 4.660 -0.013 0.000 0.316 189 W C 1.102 177.509 176.519 -0.186 0.000 1.211 189 W CA -1.014 56.199 57.345 -0.221 0.000 1.201 189 W CB 0.672 30.060 29.460 -0.121 0.000 1.184 189 W HN 0.322 nan 8.180 nan 0.000 0.544 190 I N 1.440 122.076 120.570 0.109 0.000 2.648 190 I HA 0.355 4.517 4.170 -0.014 0.000 0.284 190 I C -0.272 175.889 176.117 0.073 0.000 1.153 190 I CA 0.022 61.352 61.300 0.050 0.000 1.426 190 I CB 0.503 38.540 38.000 0.062 0.000 1.381 190 I HN 0.470 nan 8.210 nan 0.000 0.571 191 R N 5.889 126.409 120.500 0.034 0.000 2.575 191 R HA 0.542 4.874 4.340 -0.014 0.000 0.293 191 R C -2.264 174.045 176.300 0.015 0.000 0.983 191 R CA -1.640 54.477 56.100 0.029 0.000 0.887 191 R CB 1.146 31.462 30.300 0.025 0.000 1.184 191 R HN 0.660 nan 8.270 nan 0.000 0.445 192 P HA 0.016 nan 4.420 nan 0.000 0.270 192 P C -0.505 176.814 177.300 0.032 0.000 1.223 192 P CA -0.518 62.593 63.100 0.019 0.000 0.785 192 P CB 0.704 32.414 31.700 0.017 0.000 0.923 193 R N 1.134 121.652 120.500 0.030 0.000 2.740 193 R HA -0.092 4.240 4.340 -0.014 0.000 0.263 193 R C 0.325 176.677 176.300 0.086 0.000 0.997 193 R CA -0.137 55.995 56.100 0.053 0.000 1.108 193 R CB 0.237 30.544 30.300 0.012 0.000 0.969 193 R HN 0.324 nan 8.270 nan 0.000 0.431 194 K N 2.368 122.851 120.400 0.138 0.000 2.504 194 K HA -0.027 4.285 4.320 -0.014 0.000 0.278 194 K C -0.233 176.437 176.600 0.115 0.000 1.025 194 K CA 1.043 57.400 56.287 0.116 0.000 1.093 194 K CB 0.249 32.874 32.500 0.208 0.000 0.873 194 K HN 0.684 nan 8.250 nan 0.000 0.483 195 G N 3.200 112.033 108.800 0.055 0.000 2.594 195 G HA2 0.259 4.211 3.960 -0.014 0.000 0.243 195 G HA3 0.259 4.211 3.960 -0.014 0.000 0.243 195 G C -0.443 174.481 174.900 0.040 0.000 1.229 195 G CA -0.121 45.017 45.100 0.064 0.000 0.843 195 G HN 0.806 nan 8.290 nan 0.000 0.578 196 T N -1.361 113.241 114.554 0.080 0.000 2.945 196 T HA 0.556 4.898 4.350 -0.014 0.000 0.286 196 T C -0.351 174.303 174.700 -0.075 0.000 1.025 196 T CA -0.880 61.204 62.100 -0.026 0.000 1.039 196 T CB 1.828 70.783 68.868 0.145 0.000 1.068 196 T HN 0.395 nan 8.240 nan 0.000 0.497 197 L N 2.342 123.424 121.223 -0.236 0.000 2.265 197 L HA 0.637 4.969 4.340 -0.014 0.000 0.288 197 L C 0.743 177.516 176.870 -0.162 0.000 1.058 197 L CA 0.119 54.825 54.840 -0.223 0.000 0.809 197 L CB 0.276 42.185 42.059 -0.250 0.000 1.179 197 L HN 1.025 nan 8.230 nan 0.000 0.429 198 G N 3.755 112.378 108.800 -0.295 0.000 2.636 198 G HA2 0.516 4.468 3.960 -0.014 0.000 0.246 198 G HA3 0.516 4.468 3.960 -0.014 0.000 0.246 198 G C -0.974 174.012 174.900 0.143 0.000 1.216 198 G CA 0.041 44.977 45.100 -0.274 0.000 0.854 198 G HN 1.021 nan 8.290 nan 0.000 0.572 199 A N 1.150 124.258 122.820 0.480 0.000 2.343 199 A HA 0.736 5.048 4.320 -0.014 0.000 0.308 199 A C -0.298 177.568 177.584 0.471 0.000 1.092 199 A CA -0.584 51.784 52.037 0.551 0.000 0.751 199 A CB 1.164 20.547 19.000 0.638 0.000 1.203 199 A HN 0.605 nan 8.150 nan 0.000 0.452 200 M N 2.421 122.163 119.600 0.236 0.000 2.190 200 M HA 0.312 4.783 4.480 -0.014 0.000 0.312 200 M C -1.455 174.705 176.300 -0.233 0.000 0.990 200 M CA -0.504 54.821 55.300 0.041 0.000 0.927 200 M CB 2.024 34.473 32.600 -0.251 0.000 1.571 200 M HN 0.730 nan 8.290 nan 0.000 0.427 201 D N 4.091 124.475 120.400 -0.027 0.000 2.425 201 D HA 0.375 5.006 4.640 -0.014 0.000 0.240 201 D C -1.788 174.643 176.300 0.217 0.000 1.080 201 D CA -0.474 53.394 54.000 -0.219 0.000 0.836 201 D CB 1.546 42.347 40.800 0.002 0.000 1.125 201 D HN 0.406 nan 8.370 nan 0.000 0.525 202 L N 4.927 126.215 121.223 0.109 0.000 2.297 202 L HA 0.646 4.977 4.340 -0.014 0.000 0.277 202 L C 0.385 177.299 176.870 0.074 0.000 1.040 202 L CA -0.267 54.550 54.840 -0.037 0.000 0.867 202 L CB 0.833 42.484 42.059 -0.680 0.000 1.244 202 L HN 0.409 nan 8.230 nan 0.000 0.433 203 G N 2.231 111.133 108.800 0.170 0.000 2.510 203 G HA2 0.404 4.355 3.960 -0.014 0.000 0.280 203 G HA3 0.404 4.355 3.960 -0.014 0.000 0.280 203 G C 0.703 175.693 174.900 0.150 0.000 1.386 203 G CA -0.104 45.119 45.100 0.205 0.000 1.047 203 G HN 0.695 nan 8.290 nan 0.000 0.527 204 G N -1.308 107.585 108.800 0.155 0.000 2.453 204 G HA2 0.273 4.225 3.960 -0.014 0.000 0.215 204 G HA3 0.273 4.225 3.960 -0.014 0.000 0.215 204 G C 1.290 176.226 174.900 0.060 0.000 1.147 204 G CA 1.623 46.778 45.100 0.092 0.000 0.802 204 G HN 0.950 nan 8.290 nan 0.000 0.535 205 A N -0.545 122.332 122.820 0.095 0.000 2.287 205 A HA 0.592 4.904 4.320 -0.014 0.000 0.214 205 A C 1.063 178.717 177.584 0.116 0.000 1.228 205 A CA 1.096 53.176 52.037 0.073 0.000 0.939 205 A CB 0.355 19.395 19.000 0.067 0.000 0.992 205 A HN 0.758 nan 8.150 nan 0.000 0.502 206 S N -1.854 113.946 115.700 0.167 0.000 2.651 206 S HA 0.708 5.169 4.470 -0.014 0.000 0.279 206 S C -0.690 174.087 174.600 0.295 0.000 1.148 206 S CA -0.174 58.171 58.200 0.241 0.000 0.837 206 S CB 1.669 64.985 63.200 0.194 0.000 1.138 206 S HN 0.308 nan 8.310 nan 0.000 0.478 207 T N 0.766 115.566 114.554 0.409 0.000 2.886 207 T HA 0.654 4.996 4.350 -0.014 0.000 0.292 207 T C -1.773 173.220 174.700 0.489 0.000 1.012 207 T CA -0.340 62.037 62.100 0.461 0.000 0.982 207 T CB 1.572 70.779 68.868 0.565 0.000 1.018 207 T HN 0.654 nan 8.240 nan 0.000 0.451 208 Q N 2.386 122.436 119.800 0.416 0.000 2.342 208 Q HA 0.740 5.072 4.340 -0.014 0.000 0.267 208 Q C -1.022 175.196 176.000 0.364 0.000 1.038 208 Q CA -0.545 55.453 55.803 0.324 0.000 0.832 208 Q CB 2.643 31.513 28.738 0.221 0.000 1.323 208 Q HN 0.732 nan 8.270 nan 0.000 0.448 209 I N 0.438 121.189 120.570 0.302 0.000 2.582 209 I HA 0.709 4.871 4.170 -0.014 0.000 0.292 209 I C -1.413 174.883 176.117 0.299 0.000 1.066 209 I CA -0.229 61.239 61.300 0.280 0.000 1.053 209 I CB 1.890 39.883 38.000 -0.010 0.000 1.241 209 I HN 0.536 nan 8.210 nan 0.000 0.421 210 T N 7.695 122.497 114.554 0.414 0.000 3.071 210 T HA 0.630 4.972 4.350 -0.014 0.000 0.311 210 T C -1.166 173.761 174.700 0.378 0.000 1.042 210 T CA -0.406 61.825 62.100 0.219 0.000 1.028 210 T CB 1.130 70.064 68.868 0.110 0.000 1.068 210 T HN 0.510 nan 8.240 nan 0.000 0.451 211 F N -0.554 119.369 119.950 -0.044 0.000 2.688 211 F HA 0.630 5.149 4.527 -0.013 0.000 0.308 211 F C -0.571 175.137 175.800 -0.153 0.000 1.117 211 F CA -1.330 56.626 58.000 -0.074 0.000 0.976 211 F CB 1.185 40.120 39.000 -0.108 0.000 1.291 211 F HN 0.503 nan 8.300 nan 0.000 0.439 212 E N 1.567 121.820 120.200 0.088 0.000 2.415 212 E HA 0.341 4.683 4.350 -0.014 0.000 0.263 212 E C -1.019 175.653 176.600 0.121 0.000 0.995 212 E CA 0.307 56.739 56.400 0.053 0.000 0.915 212 E CB 0.861 30.738 29.700 0.296 0.000 0.951 212 E HN 0.796 nan 8.360 nan 0.000 0.449 213 T N 1.831 116.372 114.554 -0.022 0.000 2.909 213 T HA 0.224 4.566 4.350 -0.014 0.000 0.299 213 T C 0.597 175.298 174.700 0.002 0.000 1.073 213 T CA -0.139 61.981 62.100 0.033 0.000 0.999 213 T CB 1.500 70.327 68.868 -0.068 0.000 1.098 213 T HN 0.562 nan 8.240 nan 0.000 0.477 214 T N 0.334 114.908 114.554 0.034 0.000 3.060 214 T HA 0.268 4.610 4.350 -0.014 0.000 0.249 214 T C 0.794 175.511 174.700 0.030 0.000 1.079 214 T CA -0.184 61.926 62.100 0.018 0.000 1.013 214 T CB -0.009 68.872 68.868 0.022 0.000 0.975 214 T HN 0.405 nan 8.240 nan 0.000 0.518 215 S N 3.661 119.387 115.700 0.044 0.000 2.572 215 S HA 0.356 4.817 4.470 -0.014 0.000 0.279 215 S C -2.299 172.348 174.600 0.077 0.000 1.341 215 S CA -0.842 57.400 58.200 0.070 0.000 1.043 215 S CB 0.369 63.628 63.200 0.099 0.000 0.887 215 S HN 0.324 nan 8.310 nan 0.000 0.516 216 P HA 0.106 nan 4.420 nan 0.000 0.266 216 P C -0.478 176.838 177.300 0.026 0.000 1.195 216 P CA -0.269 62.854 63.100 0.038 0.000 0.768 216 P CB 0.313 32.020 31.700 0.012 0.000 0.838 217 S N 1.153 116.843 115.700 -0.017 0.000 2.545 217 S HA 0.210 4.672 4.470 -0.014 0.000 0.275 217 S C 0.513 174.899 174.600 -0.357 0.000 1.299 217 S CA -0.393 57.743 58.200 -0.106 0.000 1.048 217 S CB 0.959 64.145 63.200 -0.023 0.000 0.938 217 S HN 0.451 nan 8.310 nan 0.000 0.496 218 E N 0.489 120.152 120.200 -0.895 0.000 2.490 218 E HA 0.154 4.496 4.350 -0.014 0.000 0.209 218 E C -0.719 175.591 176.600 -0.483 0.000 0.971 218 E CA -0.015 55.930 56.400 -0.758 0.000 0.988 218 E CB 0.469 29.547 29.700 -1.036 0.000 1.029 218 E HN 0.685 nan 8.360 nan 0.000 0.496 219 D N 0.152 120.261 120.400 -0.486 0.000 2.575 219 D HA 0.151 4.783 4.640 -0.014 0.000 0.250 219 D C -2.197 174.044 176.300 -0.099 0.000 1.279 219 D CA -2.286 51.595 54.000 -0.198 0.000 0.925 219 D CB 1.883 42.527 40.800 -0.261 0.000 1.261 219 D HN -0.280 nan 8.370 nan 0.000 0.567 220 P HA -0.029 nan 4.420 nan 0.000 0.217 220 P C 1.321 178.585 177.300 -0.060 0.000 1.148 220 P CA 0.976 64.050 63.100 -0.044 0.000 0.828 220 P CB 0.323 32.008 31.700 -0.025 0.000 0.783 221 G N -0.951 107.818 108.800 -0.052 0.000 2.509 221 G HA2 -0.214 3.737 3.960 -0.014 0.000 0.218 221 G HA3 -0.214 3.737 3.960 -0.014 0.000 0.218 221 G C 1.162 175.983 174.900 -0.130 0.000 1.124 221 G CA 0.615 45.671 45.100 -0.072 0.000 0.776 221 G HN 0.356 nan 8.290 nan 0.000 0.547 222 N N -0.796 117.820 118.700 -0.140 0.000 2.254 222 N HA 0.135 4.867 4.740 -0.014 0.000 0.190 222 N C 0.376 175.691 175.510 -0.324 0.000 1.107 222 N CA -0.153 52.720 53.050 -0.295 0.000 0.869 222 N CB 0.669 39.019 38.487 -0.229 0.000 0.983 222 N HN 0.331 nan 8.380 nan 0.000 0.487 223 E N 1.594 121.677 120.200 -0.195 0.000 2.174 223 E HA 0.330 4.672 4.350 -0.014 0.000 0.282 223 E C -1.284 175.176 176.600 -0.233 0.000 0.992 223 E CA -0.431 55.853 56.400 -0.192 0.000 0.803 223 E CB 0.989 30.638 29.700 -0.085 0.000 1.090 223 E HN -0.189 nan 8.360 nan 0.000 0.396 224 V N 5.365 125.065 119.914 -0.357 0.000 2.577 224 V HA 0.298 4.409 4.120 -0.014 0.000 0.303 224 V C -0.787 175.048 176.094 -0.431 0.000 1.042 224 V CA -0.834 61.271 62.300 -0.325 0.000 0.872 224 V CB 1.805 33.406 31.823 -0.371 0.000 0.998 224 V HN 0.704 nan 8.190 nan 0.000 0.423 225 H N 5.399 124.437 119.070 -0.053 0.000 2.589 225 H HA 0.611 5.160 4.556 -0.012 0.000 0.335 225 H C -1.044 174.313 175.328 0.047 0.000 1.019 225 H CA -0.361 55.723 56.048 0.060 0.000 1.213 225 H CB 2.172 31.976 29.762 0.069 0.000 1.472 225 H HN 0.430 nan 8.280 nan 0.000 0.508 226 L N 2.603 123.961 121.223 0.226 0.000 2.346 226 L HA 0.504 4.836 4.340 -0.014 0.000 0.274 226 L C 0.228 177.238 176.870 0.235 0.000 1.007 226 L CA -0.960 53.975 54.840 0.158 0.000 0.818 226 L CB 2.018 44.142 42.059 0.109 0.000 1.284 226 L HN 0.253 nan 8.230 nan 0.000 0.424 227 R N 3.096 123.660 120.500 0.105 0.000 2.358 227 R HA 0.650 4.982 4.340 -0.014 0.000 0.309 227 R C -1.839 174.454 176.300 -0.012 0.000 1.026 227 R CA -0.159 55.988 56.100 0.078 0.000 0.909 227 R CB 0.439 30.744 30.300 0.008 0.000 1.153 227 R HN 0.557 nan 8.270 nan 0.000 0.515 228 L N 5.578 126.817 121.223 0.028 0.000 2.372 228 L HA 0.448 4.780 4.340 -0.014 0.000 0.274 228 L C -0.584 176.297 176.870 0.018 0.000 0.988 228 L CA -1.113 53.608 54.840 -0.198 0.000 0.833 228 L CB 1.415 43.231 42.059 -0.405 0.000 1.236 228 L HN 0.650 nan 8.230 nan 0.000 0.410 229 Y N 2.185 122.500 120.300 0.026 0.000 3.389 229 Y HA -0.238 4.303 4.550 -0.014 0.000 0.213 229 Y C 1.467 177.424 175.900 0.095 0.000 1.272 229 Y CA 1.029 59.170 58.100 0.067 0.000 1.444 229 Y CB -1.964 36.550 38.460 0.090 0.000 1.445 229 Y HN 0.992 nan 8.280 nan 0.000 0.583 230 G N -1.410 107.478 108.800 0.148 0.000 2.179 230 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.260 230 G HA3 -0.271 3.681 3.960 -0.014 0.000 0.260 230 G C 0.011 174.978 174.900 0.112 0.000 0.977 230 G CA 0.293 45.474 45.100 0.135 0.000 0.641 230 G HN 0.481 nan 8.290 nan 0.000 0.533 231 Q N -0.167 119.714 119.800 0.135 0.000 2.342 231 Q HA 0.386 4.717 4.340 -0.014 0.000 0.267 231 Q C -0.660 175.388 176.000 0.080 0.000 1.038 231 Q CA -0.718 55.117 55.803 0.052 0.000 0.832 231 Q CB 1.942 30.693 28.738 0.021 0.000 1.323 231 Q HN 0.613 nan 8.270 nan 0.000 0.448 232 H N 2.019 120.999 119.070 -0.149 0.000 2.562 232 H HA 0.315 4.862 4.556 -0.016 0.000 0.314 232 H C -1.339 173.835 175.328 -0.256 0.000 1.079 232 H CA -0.374 55.621 56.048 -0.088 0.000 1.349 232 H CB 0.490 30.217 29.762 -0.057 0.000 1.432 232 H HN 0.518 nan 8.280 nan 0.000 0.479 233 Y N 4.172 124.487 120.300 0.024 0.000 2.328 233 Y HA 0.225 4.769 4.550 -0.011 0.000 0.336 233 Y C 0.251 175.999 175.900 -0.252 0.000 0.960 233 Y CA -0.917 57.122 58.100 -0.101 0.000 1.134 233 Y CB 1.277 39.820 38.460 0.138 0.000 1.166 233 Y HN 0.534 nan 8.280 nan 0.000 0.464 234 R N 3.289 123.618 120.500 -0.286 0.000 2.198 234 R HA 0.665 4.997 4.340 -0.014 0.000 0.339 234 R C -1.807 174.309 176.300 -0.305 0.000 1.020 234 R CA -0.308 55.595 56.100 -0.329 0.000 0.864 234 R CB 0.477 30.620 30.300 -0.261 0.000 1.105 234 R HN 0.576 nan 8.270 nan 0.000 0.463 235 V N 5.577 125.234 119.914 -0.427 0.000 2.656 235 V HA 0.274 4.386 4.120 -0.014 0.000 0.307 235 V C -1.102 174.711 176.094 -0.468 0.000 1.051 235 V CA -0.899 61.089 62.300 -0.520 0.000 0.893 235 V CB 1.699 33.060 31.823 -0.770 0.000 0.999 235 V HN 0.681 nan 8.190 nan 0.000 0.426 236 Y N 3.051 122.948 120.300 -0.671 0.000 2.342 236 Y HA 0.696 5.236 4.550 -0.015 0.000 0.334 236 Y C 0.064 175.640 175.900 -0.539 0.000 1.067 236 Y CA 0.127 57.852 58.100 -0.624 0.000 1.128 236 Y CB 1.845 39.772 38.460 -0.888 0.000 1.200 236 Y HN 0.652 nan 8.280 nan 0.000 0.464 237 T N 4.742 118.627 114.554 -1.116 0.000 2.916 237 T HA 0.431 4.773 4.350 -0.014 0.000 0.305 237 T C -2.370 171.835 174.700 -0.826 0.000 1.119 237 T CA -0.458 61.188 62.100 -0.757 0.000 1.008 237 T CB 0.738 69.341 68.868 -0.442 0.000 1.129 237 T HN 0.836 nan 8.240 nan 0.000 0.480 238 H N 0.681 119.445 119.070 -0.510 0.000 3.038 238 H HA 0.620 5.168 4.556 -0.014 0.000 0.362 238 H C -1.374 173.816 175.328 -0.230 0.000 1.167 238 H CA -0.399 55.397 56.048 -0.421 0.000 1.197 238 H CB 1.986 31.482 29.762 -0.445 0.000 1.840 238 H HN 0.526 nan 8.280 nan 0.000 0.540 239 S N 4.223 119.401 115.700 -0.869 0.000 2.498 239 S HA 0.430 4.892 4.470 -0.014 0.000 0.317 239 S C -1.413 172.899 174.600 -0.480 0.000 1.090 239 S CA -0.585 57.372 58.200 -0.405 0.000 1.089 239 S CB -0.021 63.024 63.200 -0.259 0.000 0.997 239 S HN 0.411 nan 8.310 nan 0.000 0.470 240 F N 5.028 125.043 119.950 0.108 0.000 2.335 240 F HA 0.391 4.910 4.527 -0.013 0.000 0.365 240 F C 0.236 176.218 175.800 0.303 0.000 1.122 240 F CA -0.752 57.382 58.000 0.223 0.000 1.151 240 F CB 0.796 39.932 39.000 0.227 0.000 1.282 240 F HN 0.444 nan 8.300 nan 0.000 0.513 241 L N 3.533 124.958 121.223 0.338 0.000 2.456 241 L HA 0.153 4.484 4.340 -0.014 0.000 0.272 241 L C 0.692 177.771 176.870 0.350 0.000 1.189 241 L CA 0.281 55.281 54.840 0.265 0.000 0.846 241 L CB 0.174 42.318 42.059 0.140 0.000 1.111 241 L HN 0.884 nan 8.230 nan 0.000 0.475 242 c N 2.739 121.452 118.600 0.189 0.000 4.593 242 c HA -0.212 4.350 4.570 -0.014 0.000 0.263 242 c C 0.763 174.758 174.090 -0.158 0.000 1.378 242 c CA 0.756 57.094 56.329 0.015 0.000 1.666 242 c CB -3.193 39.297 42.510 -0.032 0.000 1.603 242 c HN 0.868 nan 8.230 nan 0.000 0.704 243 Y N 0.629 121.008 120.300 0.132 0.000 2.636 243 Y HA 0.440 4.983 4.550 -0.013 0.000 0.260 243 Y C 1.606 177.567 175.900 0.102 0.000 1.177 243 Y CA 0.565 58.744 58.100 0.133 0.000 1.209 243 Y CB 0.087 38.782 38.460 0.392 0.000 1.166 243 Y HN 0.452 nan 8.280 nan 0.000 0.531 244 G N 0.109 108.990 108.800 0.134 0.000 2.606 244 G HA2 0.076 4.027 3.960 -0.014 0.000 0.252 244 G HA3 0.076 4.027 3.960 -0.014 0.000 0.252 244 G C 0.997 175.838 174.900 -0.098 0.000 1.206 244 G CA -0.428 44.717 45.100 0.076 0.000 0.861 244 G HN 0.334 nan 8.290 nan 0.000 0.561 245 R N -0.401 120.056 120.500 -0.071 0.000 2.096 245 R HA -0.130 4.202 4.340 -0.014 0.000 0.240 245 R C 1.623 177.820 176.300 -0.171 0.000 1.139 245 R CA 2.150 58.163 56.100 -0.145 0.000 0.952 245 R CB -0.241 30.024 30.300 -0.059 0.000 0.854 245 R HN 0.616 nan 8.270 nan 0.000 0.436 246 D N -0.110 120.229 120.400 -0.103 0.000 2.178 246 D HA -0.134 4.498 4.640 -0.014 0.000 0.202 246 D C 2.036 178.260 176.300 -0.127 0.000 0.974 246 D CA 0.878 54.819 54.000 -0.097 0.000 0.841 246 D CB -0.037 40.732 40.800 -0.050 0.000 0.953 246 D HN 0.324 nan 8.370 nan 0.000 0.478 247 Q N 0.181 119.895 119.800 -0.142 0.000 2.137 247 Q HA -0.009 4.323 4.340 -0.014 0.000 0.198 247 Q C 2.395 178.233 176.000 -0.269 0.000 0.960 247 Q CA 0.241 55.941 55.803 -0.172 0.000 0.847 247 Q CB 0.024 28.681 28.738 -0.134 0.000 0.915 247 Q HN 0.325 nan 8.270 nan 0.000 0.448 248 I N 0.916 121.260 120.570 -0.375 0.000 2.286 248 I HA -0.234 3.927 4.170 -0.014 0.000 0.248 248 I C 2.310 178.218 176.117 -0.347 0.000 1.115 248 I CA 1.022 62.014 61.300 -0.512 0.000 1.392 248 I CB -0.841 36.612 38.000 -0.911 0.000 1.065 248 I HN 0.181 nan 8.210 nan 0.000 0.418 249 L N -0.208 120.864 121.223 -0.251 0.000 2.083 249 L HA -0.209 4.123 4.340 -0.014 0.000 0.209 249 L C 2.606 179.409 176.870 -0.111 0.000 1.083 249 L CA 1.035 55.795 54.840 -0.134 0.000 0.752 249 L CB -0.465 41.543 42.059 -0.086 0.000 0.899 249 L HN 0.197 nan 8.230 nan 0.000 0.433 250 L N -0.562 120.573 121.223 -0.147 0.000 2.017 250 L HA -0.213 4.119 4.340 -0.014 0.000 0.208 250 L C 2.859 179.595 176.870 -0.224 0.000 1.073 250 L CA 1.388 56.126 54.840 -0.171 0.000 0.745 250 L CB -0.390 41.570 42.059 -0.165 0.000 0.894 250 L HN 0.234 nan 8.230 nan 0.000 0.432 251 R N -0.246 120.114 120.500 -0.234 0.000 2.096 251 R HA -0.141 4.191 4.340 -0.014 0.000 0.235 251 R C 2.248 178.405 176.300 -0.238 0.000 1.127 251 R CA 1.089 57.046 56.100 -0.238 0.000 0.968 251 R CB -0.315 29.822 30.300 -0.271 0.000 0.861 251 R HN 0.321 nan 8.270 nan 0.000 0.440 252 L N 0.216 121.301 121.223 -0.231 0.000 2.093 252 L HA -0.157 4.175 4.340 -0.014 0.000 0.208 252 L C 2.298 178.933 176.870 -0.392 0.000 1.085 252 L CA 0.555 55.257 54.840 -0.230 0.000 0.755 252 L CB -0.386 41.608 42.059 -0.109 0.000 0.904 252 L HN 0.194 nan 8.230 nan 0.000 0.435 253 L N 0.396 121.414 121.223 -0.342 0.000 1.976 253 L HA -0.151 4.181 4.340 -0.014 0.000 0.209 253 L C 2.701 179.332 176.870 -0.399 0.000 1.071 253 L CA 2.140 56.716 54.840 -0.440 0.000 0.746 253 L CB -0.964 40.961 42.059 -0.223 0.000 0.890 253 L HN 0.149 nan 8.230 nan 0.000 0.432 254 A N -1.438 121.173 122.820 -0.348 0.000 1.903 254 A HA -0.317 3.995 4.320 -0.014 0.000 0.219 254 A C 2.555 180.028 177.584 -0.185 0.000 1.191 254 A CA 2.493 54.354 52.037 -0.294 0.000 0.638 254 A CB -1.397 17.427 19.000 -0.293 0.000 0.823 254 A HN 0.563 nan 8.150 nan 0.000 0.451 255 S N -0.921 114.643 115.700 -0.226 0.000 2.356 255 S HA -0.038 4.424 4.470 -0.014 0.000 0.223 255 S C 2.203 176.627 174.600 -0.292 0.000 1.032 255 S CA 1.589 59.657 58.200 -0.220 0.000 1.005 255 S CB -0.494 62.582 63.200 -0.207 0.000 0.867 255 S HN 0.860 nan 8.310 nan 0.000 0.449 256 A N 1.184 123.762 122.820 -0.403 0.000 1.902 256 A HA 0.032 4.344 4.320 -0.014 0.000 0.217 256 A C 2.175 179.537 177.584 -0.369 0.000 1.181 256 A CA 1.343 53.105 52.037 -0.459 0.000 0.623 256 A CB -0.781 17.699 19.000 -0.867 0.000 0.818 256 A HN 0.554 nan 8.150 nan 0.000 0.443 257 L N -0.766 120.274 121.223 -0.305 0.000 2.046 257 L HA -0.266 4.066 4.340 -0.014 0.000 0.208 257 L C 2.940 179.725 176.870 -0.143 0.000 1.077 257 L CA 1.996 56.728 54.840 -0.179 0.000 0.747 257 L CB -0.428 41.574 42.059 -0.095 0.000 0.896 257 L HN 0.691 nan 8.230 nan 0.000 0.432 258 Q N 0.271 119.985 119.800 -0.143 0.000 2.083 258 Q HA -0.153 4.179 4.340 -0.014 0.000 0.198 258 Q C 2.154 178.029 176.000 -0.209 0.000 0.969 258 Q CA 1.541 57.264 55.803 -0.133 0.000 0.838 258 Q CB 0.051 28.732 28.738 -0.096 0.000 0.900 258 Q HN 0.511 nan 8.270 nan 0.000 0.436 259 I N -0.532 119.838 120.570 -0.333 0.000 2.731 259 I HA -0.097 4.064 4.170 -0.014 0.000 0.260 259 I C 1.741 177.486 176.117 -0.620 0.000 1.138 259 I CA 0.473 61.466 61.300 -0.513 0.000 1.461 259 I CB 0.129 37.705 38.000 -0.707 0.000 1.128 259 I HN 0.290 nan 8.210 nan 0.000 0.438 260 H N -0.030 118.796 119.070 -0.405 0.000 2.800 260 H HA 0.313 4.860 4.556 -0.014 0.000 0.257 260 H C 0.588 175.608 175.328 -0.512 0.000 0.967 260 H CA 0.019 55.656 56.048 -0.686 0.000 1.192 260 H CB 0.544 29.430 29.762 -1.459 0.000 1.441 260 H HN 0.041 nan 8.280 nan 0.000 0.461 261 R N -0.059 120.301 120.500 -0.232 0.000 3.946 261 R HA -0.194 4.138 4.340 -0.014 0.000 0.329 261 R C -0.857 175.469 176.300 0.044 0.000 1.209 261 R CA 1.239 57.293 56.100 -0.077 0.000 0.909 261 R CB -2.234 28.069 30.300 0.005 0.000 1.355 261 R HN 0.252 nan 8.270 nan 0.000 0.539 262 F N -3.921 116.048 119.950 0.032 0.000 2.664 262 F HA 0.553 5.072 4.527 -0.014 0.000 0.317 262 F C -0.318 175.462 175.800 -0.032 0.000 1.108 262 F CA -1.584 56.425 58.000 0.015 0.000 0.957 262 F CB 1.176 40.188 39.000 0.021 0.000 1.365 262 F HN -0.060 nan 8.300 nan 0.000 0.475 263 H N 2.620 121.744 119.070 0.090 0.000 2.638 263 H HA 0.355 4.902 4.556 -0.014 0.000 0.303 263 H C -2.005 173.354 175.328 0.052 0.000 1.034 263 H CA -2.554 53.382 56.048 -0.188 0.000 1.225 263 H CB 1.910 31.180 29.762 -0.820 0.000 1.394 263 H HN 0.369 nan 8.280 nan 0.000 0.477 264 P HA -0.130 nan 4.420 nan 0.000 0.223 264 P C 0.827 178.223 177.300 0.160 0.000 1.151 264 P CA 0.842 64.089 63.100 0.245 0.000 0.787 264 P CB 0.212 31.991 31.700 0.131 0.000 0.788 265 c N -2.774 115.907 118.600 0.136 0.000 2.495 265 c HA 0.090 4.652 4.570 -0.014 0.000 0.275 265 c C 1.288 175.366 174.090 -0.020 0.000 1.392 265 c CA -0.585 55.738 56.329 -0.010 0.000 1.766 265 c CB -1.552 40.927 42.510 -0.052 0.000 1.933 265 c HN 0.206 nan 8.230 nan 0.000 0.519 266 W N 2.356 123.466 121.300 -0.318 0.000 2.202 266 W HA 0.318 4.969 4.660 -0.014 0.000 0.332 266 W C -2.254 174.235 176.519 -0.049 0.000 1.263 266 W CA -2.724 54.482 57.345 -0.232 0.000 1.223 266 W CB -0.705 28.659 29.460 -0.160 0.000 1.128 266 W HN 0.014 nan 8.180 nan 0.000 0.573 267 P HA 0.090 nan 4.420 nan 0.000 0.278 267 P C -0.363 177.073 177.300 0.226 0.000 1.238 267 P CA -0.488 62.733 63.100 0.202 0.000 0.794 267 P CB 0.868 32.726 31.700 0.264 0.000 0.955 268 K N 1.437 121.948 120.400 0.186 0.000 2.491 268 K HA 0.173 4.484 4.320 -0.014 0.000 0.279 268 K C 1.286 178.013 176.600 0.212 0.000 1.026 268 K CA 1.483 57.863 56.287 0.155 0.000 1.070 268 K CB -0.719 31.843 32.500 0.103 0.000 0.887 268 K HN 0.821 nan 8.250 nan 0.000 0.481 269 G N 2.967 111.869 108.800 0.170 0.000 2.234 269 G HA2 -0.313 3.639 3.960 -0.014 0.000 0.235 269 G HA3 -0.313 3.639 3.960 -0.014 0.000 0.235 269 G C -0.496 174.488 174.900 0.141 0.000 0.997 269 G CA 0.227 45.447 45.100 0.200 0.000 0.623 269 G HN 0.668 nan 8.290 nan 0.000 0.514 270 Y N 2.766 122.971 120.300 -0.159 0.000 2.336 270 Y HA 0.551 5.093 4.550 -0.014 0.000 0.335 270 Y C 0.409 176.119 175.900 -0.317 0.000 1.046 270 Y CA -0.262 57.439 58.100 -0.666 0.000 1.198 270 Y CB 1.176 38.955 38.460 -1.135 0.000 1.182 270 Y HN 0.693 nan 8.280 nan 0.000 0.502 271 S N 3.971 119.053 115.700 -1.030 0.000 2.556 271 S HA 0.744 5.206 4.470 -0.014 0.000 0.271 271 S C -0.867 173.203 174.600 -0.883 0.000 1.135 271 S CA -0.715 57.060 58.200 -0.709 0.000 0.858 271 S CB 2.044 65.101 63.200 -0.239 0.000 1.114 271 S HN 0.763 nan 8.310 nan 0.000 0.468 272 T N 0.845 115.097 114.554 -0.503 0.000 2.864 272 T HA 0.477 4.818 4.350 -0.014 0.000 0.299 272 T C -1.795 172.857 174.700 -0.080 0.000 1.166 272 T CA -0.537 61.372 62.100 -0.319 0.000 1.007 272 T CB 1.728 70.394 68.868 -0.337 0.000 1.219 272 T HN 0.635 nan 8.240 nan 0.000 0.506 273 Q N 2.192 121.959 119.800 -0.054 0.000 2.295 273 Q HA 0.398 4.729 4.340 -0.014 0.000 0.259 273 Q C -0.621 175.394 176.000 0.026 0.000 0.976 273 Q CA -0.175 55.625 55.803 -0.005 0.000 0.923 273 Q CB 1.368 30.098 28.738 -0.013 0.000 1.185 273 Q HN 0.462 nan 8.270 nan 0.000 0.410 274 V N 4.375 124.319 119.914 0.050 0.000 2.370 274 V HA 0.158 4.269 4.120 -0.014 0.000 0.279 274 V C 0.006 176.121 176.094 0.035 0.000 1.029 274 V CA -0.806 61.529 62.300 0.059 0.000 0.870 274 V CB 1.342 33.214 31.823 0.080 0.000 0.984 274 V HN 0.589 nan 8.190 nan 0.000 0.451 275 L N 6.059 127.297 121.223 0.025 0.000 2.407 275 L HA 0.271 4.603 4.340 -0.014 0.000 0.282 275 L C 1.056 177.941 176.870 0.025 0.000 1.110 275 L CA 0.641 55.494 54.840 0.022 0.000 0.863 275 L CB 0.281 42.349 42.059 0.014 0.000 1.207 275 L HN 0.602 nan 8.230 nan 0.000 0.454 276 L N 3.078 124.334 121.223 0.056 0.000 2.131 276 L HA -0.208 4.123 4.340 -0.014 0.000 0.210 276 L C 2.289 179.249 176.870 0.150 0.000 1.092 276 L CA 1.281 56.192 54.840 0.119 0.000 0.759 276 L CB -0.425 41.748 42.059 0.190 0.000 0.903 276 L HN 0.851 nan 8.230 nan 0.000 0.435 277 Q N 0.917 120.774 119.800 0.093 0.000 2.096 277 Q HA -0.291 4.041 4.340 -0.014 0.000 0.208 277 Q C 1.889 177.918 176.000 0.048 0.000 0.993 277 Q CA 2.234 58.083 55.803 0.075 0.000 0.862 277 Q CB -0.066 28.697 28.738 0.042 0.000 0.915 277 Q HN 0.566 nan 8.270 nan 0.000 0.416 278 E N -0.512 119.695 120.200 0.010 0.000 2.152 278 E HA -0.116 4.226 4.350 -0.014 0.000 0.192 278 E C 2.092 178.647 176.600 -0.075 0.000 0.983 278 E CA 1.106 57.493 56.400 -0.023 0.000 0.818 278 E CB 0.207 29.893 29.700 -0.023 0.000 0.758 278 E HN 0.247 nan 8.360 nan 0.000 0.467 279 V N 0.262 120.090 119.914 -0.143 0.000 2.358 279 V HA -0.231 3.881 4.120 -0.014 0.000 0.246 279 V C 1.359 177.196 176.094 -0.429 0.000 1.047 279 V CA 1.629 63.711 62.300 -0.363 0.000 1.035 279 V CB -0.411 31.053 31.823 -0.599 0.000 0.658 279 V HN 0.292 nan 8.190 nan 0.000 0.452 280 Y N 0.410 120.688 120.300 -0.036 0.000 2.485 280 Y HA 0.118 4.660 4.550 -0.014 0.000 0.260 280 Y C 2.335 178.217 175.900 -0.030 0.000 1.173 280 Y CA 0.016 58.092 58.100 -0.039 0.000 1.252 280 Y CB -0.280 38.157 38.460 -0.038 0.000 1.123 280 Y HN 0.422 nan 8.280 nan 0.000 0.524 281 Q N -0.813 119.028 119.800 0.067 0.000 2.389 281 Q HA 0.043 4.375 4.340 -0.014 0.000 0.204 281 Q C 0.894 176.906 176.000 0.020 0.000 0.944 281 Q CA 0.367 56.195 55.803 0.042 0.000 0.908 281 Q CB 0.093 28.845 28.738 0.023 0.000 1.002 281 Q HN 0.191 nan 8.270 nan 0.000 0.493 282 S N 1.672 117.371 115.700 -0.001 0.000 2.564 282 S HA 0.153 4.615 4.470 -0.014 0.000 0.278 282 S C -1.779 172.822 174.600 0.002 0.000 1.333 282 S CA -1.493 56.700 58.200 -0.012 0.000 1.048 282 S CB 0.959 64.134 63.200 -0.042 0.000 0.900 282 S HN 0.038 nan 8.310 nan 0.000 0.505 283 P HA -0.046 nan 4.420 nan 0.000 0.218 283 P C 0.969 178.271 177.300 0.005 0.000 1.146 283 P CA 0.993 64.101 63.100 0.013 0.000 0.813 283 P CB -0.131 31.580 31.700 0.018 0.000 0.778 284 c N -1.929 116.660 118.600 -0.018 0.000 2.481 284 c HA 0.023 4.584 4.570 -0.014 0.000 0.275 284 c C 2.217 176.270 174.090 -0.061 0.000 1.419 284 c CA 1.583 57.882 56.329 -0.049 0.000 1.773 284 c CB -1.750 40.706 42.510 -0.090 0.000 1.862 284 c HN 0.363 nan 8.230 nan 0.000 0.530 285 T N -2.320 112.212 114.554 -0.036 0.000 2.986 285 T HA 0.127 4.469 4.350 -0.014 0.000 0.264 285 T C 1.328 176.084 174.700 0.094 0.000 0.964 285 T CA 0.125 62.214 62.100 -0.018 0.000 0.895 285 T CB -0.495 68.312 68.868 -0.101 0.000 1.163 285 T HN 0.520 nan 8.240 nan 0.000 0.517 286 M N 0.937 120.583 119.600 0.078 0.000 2.460 286 M HA 0.316 4.788 4.480 -0.014 0.000 0.263 286 M C 2.071 178.406 176.300 0.058 0.000 1.071 286 M CA 1.600 56.959 55.300 0.098 0.000 1.096 286 M CB -0.676 31.959 32.600 0.059 0.000 1.408 286 M HN 0.179 nan 8.290 nan 0.000 0.463 287 G N 0.277 109.102 108.800 0.043 0.000 2.880 287 G HA2 0.093 4.045 3.960 -0.014 0.000 0.209 287 G HA3 0.093 4.045 3.960 -0.014 0.000 0.209 287 G C 0.598 175.509 174.900 0.019 0.000 1.157 287 G CA -0.208 44.905 45.100 0.022 0.000 0.779 287 G HN 0.515 nan 8.290 nan 0.000 0.539 297 A N 0.722 123.553 122.820 0.018 0.000 2.044 297 A HA 0.543 4.854 4.320 -0.014 0.000 0.213 297 A C 0.501 178.103 177.584 0.030 0.000 1.169 297 A CA 0.786 52.838 52.037 0.025 0.000 0.724 297 A CB 0.111 19.122 19.000 0.018 0.000 0.840 297 A HN 0.496 nan 8.150 nan 0.000 0.463 298 I N 0.554 121.138 120.570 0.024 0.000 2.498 298 I HA 0.436 4.598 4.170 -0.014 0.000 0.290 298 I C -0.829 175.303 176.117 0.025 0.000 1.032 298 I CA -1.040 60.275 61.300 0.025 0.000 1.073 298 I CB 2.405 40.415 38.000 0.017 0.000 1.251 298 I HN 0.064 nan 8.210 nan 0.000 0.426 299 V N 1.729 121.662 119.914 0.031 0.000 2.769 299 V HA 0.630 4.742 4.120 -0.014 0.000 0.312 299 V C -0.132 175.984 176.094 0.037 0.000 1.061 299 V CA -0.474 61.845 62.300 0.031 0.000 0.931 299 V CB 1.778 33.620 31.823 0.032 0.000 1.010 299 V HN 0.668 nan 8.190 nan 0.000 0.433 300 S N 4.334 120.054 115.700 0.034 0.000 2.523 300 S HA 0.710 5.172 4.470 -0.014 0.000 0.275 300 S C -0.481 174.161 174.600 0.070 0.000 1.281 300 S CA -0.243 57.980 58.200 0.038 0.000 1.050 300 S CB 0.901 64.114 63.200 0.022 0.000 0.937 300 S HN 0.880 nan 8.310 nan 0.000 0.492 301 L N 3.006 124.300 121.223 0.119 0.000 2.409 301 L HA 0.584 4.916 4.340 -0.014 0.000 0.272 301 L C -0.674 176.373 176.870 0.295 0.000 0.980 301 L CA 0.082 55.035 54.840 0.188 0.000 0.826 301 L CB 2.005 44.168 42.059 0.172 0.000 1.268 301 L HN 0.614 nan 8.230 nan 0.000 0.407 302 S N 2.089 117.949 115.700 0.266 0.000 2.532 302 S HA 0.845 5.307 4.470 -0.014 0.000 0.301 302 S C -0.015 174.822 174.600 0.394 0.000 1.083 302 S CA -0.350 58.010 58.200 0.267 0.000 1.025 302 S CB 1.716 64.995 63.200 0.133 0.000 1.056 302 S HN 0.903 nan 8.310 nan 0.000 0.494 303 G N 0.296 109.358 108.800 0.436 0.000 2.537 303 G HA2 0.445 4.397 3.960 -0.014 0.000 0.273 303 G HA3 0.445 4.397 3.960 -0.014 0.000 0.273 303 G C 0.577 175.606 174.900 0.216 0.000 1.189 303 G CA -0.185 45.161 45.100 0.410 0.000 0.881 303 G HN 0.766 nan 8.290 nan 0.000 0.535 304 T N -3.437 111.216 114.554 0.164 0.000 3.144 304 T HA 0.255 4.597 4.350 -0.014 0.000 0.290 304 T C 0.779 175.501 174.700 0.037 0.000 0.966 304 T CA 0.706 62.818 62.100 0.020 0.000 0.907 304 T CB -0.024 68.717 68.868 -0.210 0.000 1.152 304 T HN 0.940 nan 8.240 nan 0.000 0.532 305 S N 2.282 118.038 115.700 0.094 0.000 3.477 305 S HA -0.153 4.309 4.470 -0.014 0.000 0.371 305 S C -0.123 174.506 174.600 0.049 0.000 0.965 305 S CA 0.462 58.710 58.200 0.080 0.000 1.239 305 S CB -1.781 61.465 63.200 0.078 0.000 0.918 305 S HN 0.789 nan 8.310 nan 0.000 0.498 306 N N 0.430 119.162 118.700 0.053 0.000 2.706 306 N HA 0.600 5.332 4.740 -0.014 0.000 0.240 306 N C 0.693 176.231 175.510 0.047 0.000 1.039 306 N CA 0.176 53.247 53.050 0.034 0.000 0.888 306 N CB 0.990 39.490 38.487 0.022 0.000 1.128 306 N HN 0.318 nan 8.380 nan 0.000 0.512 307 A N 2.409 125.251 122.820 0.038 0.000 1.902 307 A HA -0.122 4.190 4.320 -0.014 0.000 0.217 307 A C 1.849 179.454 177.584 0.036 0.000 1.181 307 A CA 1.916 53.975 52.037 0.037 0.000 0.623 307 A CB -0.526 18.487 19.000 0.022 0.000 0.818 307 A HN 0.600 nan 8.150 nan 0.000 0.443 308 T N 0.184 114.756 114.554 0.031 0.000 2.812 308 T HA 0.017 4.359 4.350 -0.014 0.000 0.264 308 T C 1.785 176.514 174.700 0.050 0.000 1.042 308 T CA 1.149 63.270 62.100 0.034 0.000 1.140 308 T CB -0.264 68.620 68.868 0.027 0.000 0.870 308 T HN 0.330 nan 8.240 nan 0.000 0.445 309 L N 0.509 121.763 121.223 0.051 0.000 2.141 309 L HA -0.071 4.261 4.340 -0.014 0.000 0.209 309 L C 2.918 179.834 176.870 0.076 0.000 1.094 309 L CA 0.655 55.531 54.840 0.060 0.000 0.763 309 L CB -0.572 41.494 42.059 0.011 0.000 0.908 309 L HN 0.444 nan 8.230 nan 0.000 0.437 310 c N 0.344 118.989 118.600 0.075 0.000 2.413 310 c HA -0.213 4.349 4.570 -0.014 0.000 0.277 310 c C 3.106 177.251 174.090 0.091 0.000 1.228 310 c CA 1.173 57.555 56.329 0.089 0.000 1.731 310 c CB -0.708 41.853 42.510 0.084 0.000 2.042 310 c HN 0.494 nan 8.230 nan 0.000 0.468 311 R N 0.314 120.861 120.500 0.079 0.000 2.096 311 R HA -0.169 4.163 4.340 -0.014 0.000 0.240 311 R C 1.777 178.132 176.300 0.091 0.000 1.139 311 R CA 2.560 58.709 56.100 0.083 0.000 0.952 311 R CB -0.601 29.734 30.300 0.058 0.000 0.854 311 R HN 0.581 nan 8.270 nan 0.000 0.436 312 D N 0.517 120.967 120.400 0.083 0.000 2.117 312 D HA -0.170 4.462 4.640 -0.014 0.000 0.197 312 D C 1.870 178.219 176.300 0.083 0.000 0.987 312 D CA 0.817 54.867 54.000 0.084 0.000 0.829 312 D CB -0.274 40.579 40.800 0.088 0.000 0.961 312 D HN 0.160 nan 8.370 nan 0.000 0.460 313 L N 0.485 121.761 121.223 0.088 0.000 2.017 313 L HA -0.146 4.186 4.340 -0.014 0.000 0.208 313 L C 2.320 179.217 176.870 0.044 0.000 1.073 313 L CA 1.169 56.041 54.840 0.053 0.000 0.745 313 L CB -0.320 41.769 42.059 0.050 0.000 0.894 313 L HN -0.103 nan 8.230 nan 0.000 0.432 314 V N -0.689 119.280 119.914 0.091 0.000 2.343 314 V HA -0.275 3.837 4.120 -0.014 0.000 0.247 314 V C 2.720 178.936 176.094 0.203 0.000 1.051 314 V CA 1.650 64.037 62.300 0.145 0.000 1.036 314 V CB -0.899 31.052 31.823 0.213 0.000 0.654 314 V HN 0.749 nan 8.190 nan 0.000 0.451 315 S N 0.988 116.807 115.700 0.199 0.000 2.402 315 S HA -0.296 4.166 4.470 -0.014 0.000 0.233 315 S C 1.970 176.692 174.600 0.203 0.000 1.030 315 S CA 1.711 60.053 58.200 0.238 0.000 1.003 315 S CB -0.615 62.666 63.200 0.134 0.000 0.813 315 S HN 0.644 nan 8.310 nan 0.000 0.477 316 R N 0.656 121.211 120.500 0.092 0.000 2.280 316 R HA 0.242 4.573 4.340 -0.014 0.000 0.207 316 R C 1.953 178.244 176.300 -0.015 0.000 1.043 316 R CA 0.862 56.986 56.100 0.040 0.000 1.006 316 R CB -0.535 29.763 30.300 -0.003 0.000 0.885 316 R HN 0.456 nan 8.270 nan 0.000 0.467 317 L N -0.222 120.926 121.223 -0.125 0.000 2.275 317 L HA -0.025 4.307 4.340 -0.014 0.000 0.215 317 L C 0.025 176.679 176.870 -0.361 0.000 1.119 317 L CA 0.681 55.309 54.840 -0.353 0.000 0.790 317 L CB 0.000 41.681 42.059 -0.631 0.000 0.919 317 L HN 0.013 nan 8.230 nan 0.000 0.443 318 F N -0.186 119.800 119.950 0.061 0.000 2.402 318 F HA 0.295 4.814 4.527 -0.014 0.000 0.355 318 F C 0.449 176.316 175.800 0.111 0.000 1.123 318 F CA -0.988 57.006 58.000 -0.010 0.000 1.021 318 F CB 0.490 39.308 39.000 -0.304 0.000 1.160 318 F HN -0.154 nan 8.300 nan 0.000 0.451 319 N N 4.968 123.888 118.700 0.366 0.000 2.420 319 N HA 0.218 4.950 4.740 -0.014 0.000 0.249 319 N C 0.187 175.868 175.510 0.286 0.000 1.033 319 N CA -0.122 53.091 53.050 0.271 0.000 0.944 319 N CB 0.821 39.447 38.487 0.232 0.000 1.113 319 N HN 0.776 nan 8.380 nan 0.000 0.502 320 I N 1.071 121.772 120.570 0.218 0.000 3.877 320 I HA 0.198 4.360 4.170 -0.014 0.000 0.332 320 I C 1.239 177.441 176.117 0.142 0.000 1.525 320 I CA -0.364 61.054 61.300 0.198 0.000 1.146 320 I CB 0.159 38.263 38.000 0.172 0.000 1.137 320 I HN 0.264 nan 8.210 nan 0.000 0.424 321 S N 0.661 116.438 115.700 0.129 0.000 2.425 321 S HA 0.108 4.570 4.470 -0.014 0.000 0.225 321 S C 0.925 175.574 174.600 0.081 0.000 1.024 321 S CA 0.515 58.771 58.200 0.092 0.000 0.951 321 S CB -0.404 62.844 63.200 0.080 0.000 0.796 321 S HN 0.632 nan 8.310 nan 0.000 0.498 322 S N -0.771 114.985 115.700 0.093 0.000 2.569 322 S HA 0.710 5.171 4.470 -0.014 0.000 0.280 322 S C -1.084 173.573 174.600 0.095 0.000 1.111 322 S CA -0.833 57.412 58.200 0.074 0.000 0.887 322 S CB 1.437 64.666 63.200 0.048 0.000 1.095 322 S HN 0.569 nan 8.310 nan 0.000 0.476 323 c N 3.139 121.783 118.600 0.074 0.000 2.505 323 c HA 0.697 5.258 4.570 -0.014 0.000 0.342 323 c C -2.097 171.994 174.090 0.002 0.000 1.121 323 c CA -1.223 55.169 56.329 0.105 0.000 1.306 323 c CB 0.979 43.585 42.510 0.161 0.000 1.897 323 c HN 0.902 nan 8.230 nan 0.000 0.446 324 P HA 0.198 nan 4.420 nan 0.000 0.249 324 P C -0.184 176.806 177.300 -0.517 0.000 1.229 324 P CA 0.541 63.401 63.100 -0.400 0.000 0.788 324 P CB -0.048 31.287 31.700 -0.608 0.000 1.072 325 F N -0.089 119.906 119.950 0.075 0.000 2.585 325 F HA 0.295 4.813 4.527 -0.015 0.000 0.350 325 F C 2.162 178.020 175.800 0.096 0.000 1.074 325 F CA -0.715 57.337 58.000 0.086 0.000 1.032 325 F CB 0.015 39.138 39.000 0.206 0.000 1.330 325 F HN -0.357 nan 8.300 nan 0.000 0.495 326 S N -1.016 114.879 115.700 0.326 0.000 2.447 326 S HA -0.025 4.437 4.470 -0.014 0.000 0.233 326 S C 0.264 174.984 174.600 0.200 0.000 1.006 326 S CA 0.723 59.045 58.200 0.203 0.000 0.957 326 S CB -0.178 63.119 63.200 0.162 0.000 0.773 326 S HN 0.666 nan 8.310 nan 0.000 0.507 327 Q N -1.150 118.829 119.800 0.299 0.000 2.403 327 Q HA 0.523 4.855 4.340 -0.014 0.000 0.267 327 Q C -2.212 173.906 176.000 0.197 0.000 0.991 327 Q CA -0.719 55.189 55.803 0.176 0.000 0.906 327 Q CB 1.929 30.717 28.738 0.083 0.000 1.422 327 Q HN 0.415 nan 8.270 nan 0.000 0.400 328 c N 1.229 119.921 118.600 0.153 0.000 2.779 328 c HA 0.600 5.162 4.570 -0.014 0.000 0.314 328 c C 1.456 175.692 174.090 0.243 0.000 1.231 328 c CA -0.122 56.314 56.329 0.177 0.000 1.652 328 c CB 1.858 44.524 42.510 0.259 0.000 2.198 328 c HN 1.085 nan 8.230 nan 0.000 0.483 329 S N 1.498 117.312 115.700 0.189 0.000 2.315 329 S HA 0.357 4.819 4.470 -0.014 0.000 0.196 329 S C -0.012 174.814 174.600 0.378 0.000 1.045 329 S CA 0.772 59.136 58.200 0.273 0.000 1.055 329 S CB -0.335 63.040 63.200 0.292 0.000 0.963 329 S HN 0.930 nan 8.310 nan 0.000 0.439 330 F N -1.495 118.553 119.950 0.163 0.000 2.715 330 F HA 0.678 5.197 4.527 -0.013 0.000 0.318 330 F C -0.586 175.346 175.800 0.220 0.000 1.141 330 F CA -1.133 56.956 58.000 0.149 0.000 0.950 330 F CB 0.182 39.231 39.000 0.080 0.000 1.374 330 F HN 0.175 nan 8.300 nan 0.000 0.477 331 N N 0.267 119.154 118.700 0.312 0.000 2.714 331 N HA -0.143 4.589 4.740 -0.014 0.000 0.250 331 N C 0.908 176.521 175.510 0.171 0.000 1.117 331 N CA 1.626 54.815 53.050 0.232 0.000 0.719 331 N CB -1.472 37.154 38.487 0.232 0.000 1.081 331 N HN 1.842 nan 8.380 nan 0.000 0.557 332 G N -2.561 106.350 108.800 0.185 0.000 2.153 332 G HA2 -0.316 3.636 3.960 -0.014 0.000 0.252 332 G HA3 -0.316 3.636 3.960 -0.014 0.000 0.252 332 G C 0.023 175.092 174.900 0.281 0.000 0.994 332 G CA 0.360 45.583 45.100 0.205 0.000 0.698 332 G HN 0.523 nan 8.290 nan 0.000 0.521 333 V N 1.368 121.374 119.914 0.153 0.000 2.432 333 V HA 0.527 4.639 4.120 -0.014 0.000 0.275 333 V C 0.790 176.902 176.094 0.031 0.000 1.043 333 V CA -0.851 61.453 62.300 0.006 0.000 0.925 333 V CB 1.010 32.604 31.823 -0.383 0.000 0.985 333 V HN 0.414 nan 8.190 nan 0.000 0.466 334 F N 5.184 124.946 119.950 -0.313 0.000 2.607 334 F HA 0.262 4.782 4.527 -0.012 0.000 0.374 334 F C 0.184 175.864 175.800 -0.200 0.000 1.104 334 F CA 0.475 58.161 58.000 -0.523 0.000 1.296 334 F CB 0.148 38.397 39.000 -1.251 0.000 1.085 334 F HN 0.603 nan 8.300 nan 0.000 0.584 335 Q N 8.575 127.687 119.800 -1.146 0.000 2.281 335 Q HA 0.370 4.702 4.340 -0.014 0.000 0.263 335 Q C -2.897 172.374 176.000 -1.215 0.000 0.989 335 Q CA -2.173 52.852 55.803 -1.297 0.000 0.852 335 Q CB 2.749 31.160 28.738 -0.545 0.000 1.337 335 Q HN 0.377 nan 8.270 nan 0.000 0.418 336 P HA 0.280 nan 4.420 nan 0.000 0.274 336 P C -2.653 174.518 177.300 -0.215 0.000 1.256 336 P CA -1.467 61.351 63.100 -0.469 0.000 0.795 336 P CB -0.198 31.342 31.700 -0.268 0.000 1.038 337 P HA -0.042 nan 4.420 nan 0.000 0.264 337 P C -0.114 177.080 177.300 -0.177 0.000 1.193 337 P CA 0.124 63.148 63.100 -0.126 0.000 0.763 337 P CB -0.056 31.593 31.700 -0.085 0.000 0.810 338 V N 0.817 120.463 119.914 -0.447 0.000 2.788 338 V HA 0.524 4.636 4.120 -0.014 0.000 0.307 338 V C 0.150 175.996 176.094 -0.413 0.000 1.069 338 V CA -0.384 61.426 62.300 -0.816 0.000 1.173 338 V CB -0.266 30.775 31.823 -1.304 0.000 0.925 338 V HN 0.724 nan 8.190 nan 0.000 0.492 339 A N 2.845 125.498 122.820 -0.278 0.000 2.589 339 A HA 0.931 5.243 4.320 -0.014 0.000 0.296 339 A C 0.177 177.764 177.584 0.006 0.000 1.062 339 A CA 0.020 52.029 52.037 -0.046 0.000 0.686 339 A CB 1.087 20.100 19.000 0.022 0.000 1.282 339 A HN 2.884 nan 8.150 nan 0.000 0.404 340 G N 0.976 109.798 108.800 0.037 0.000 2.796 340 G HA2 -0.068 3.883 3.960 -0.014 0.000 0.571 340 G HA3 -0.068 3.883 3.960 -0.014 0.000 0.571 340 G C -0.407 174.515 174.900 0.037 0.000 1.370 340 G CA -0.148 44.952 45.100 0.001 0.000 0.856 340 G HN 1.229 nan 8.290 nan 0.000 0.538 341 N N -0.940 117.743 118.700 -0.028 0.000 2.444 341 N HA 0.621 5.353 4.740 -0.014 0.000 0.255 341 N C -0.452 174.997 175.510 -0.103 0.000 1.255 341 N CA 0.459 53.510 53.050 0.001 0.000 0.933 341 N CB 0.388 38.846 38.487 -0.048 0.000 1.143 341 N HN 0.435 nan 8.380 nan 0.000 0.453 342 F N 0.454 120.362 119.950 -0.071 0.000 2.565 342 F HA 0.458 4.976 4.527 -0.014 0.000 0.313 342 F C -0.318 175.397 175.800 -0.143 0.000 1.091 342 F CA -0.841 57.118 58.000 -0.068 0.000 0.915 342 F CB 1.370 40.306 39.000 -0.106 0.000 1.208 342 F HN 0.219 nan 8.300 nan 0.000 0.453 343 I N 2.866 123.506 120.570 0.118 0.000 2.336 343 I HA 0.701 4.863 4.170 -0.014 0.000 0.292 343 I C -0.859 175.347 176.117 0.149 0.000 0.991 343 I CA -0.387 60.969 61.300 0.093 0.000 1.227 343 I CB 0.832 38.906 38.000 0.124 0.000 1.366 343 I HN 0.666 nan 8.210 nan 0.000 0.466 344 A N 8.118 130.889 122.820 -0.082 0.000 2.267 344 A HA 0.637 4.949 4.320 -0.014 0.000 0.315 344 A C -0.723 177.026 177.584 0.274 0.000 1.297 344 A CA -0.524 51.418 52.037 -0.157 0.000 0.865 344 A CB 0.140 18.729 19.000 -0.684 0.000 1.165 344 A HN 0.753 nan 8.150 nan 0.000 0.513 345 F N 1.662 121.789 119.950 0.295 0.000 2.840 345 F HA 0.763 5.282 4.527 -0.014 0.000 0.382 345 F C 1.194 177.141 175.800 0.244 0.000 1.304 345 F CA -0.127 58.014 58.000 0.234 0.000 1.120 345 F CB -0.384 38.674 39.000 0.096 0.000 1.607 345 F HN 0.894 nan 8.300 nan 0.000 0.482 346 S N 0.483 116.316 115.700 0.221 0.000 3.927 346 S HA -0.418 4.044 4.470 -0.014 0.000 0.618 346 S C 1.248 175.621 174.600 -0.378 0.000 2.201 346 S CA 0.586 58.750 58.200 -0.060 0.000 4.160 346 S CB -2.131 61.170 63.200 0.169 0.000 0.266 346 S HN 1.893 nan 8.310 nan 0.000 0.760 347 A N 0.136 122.933 122.820 -0.039 0.000 2.121 347 A HA 0.323 4.635 4.320 -0.014 0.000 0.218 347 A C 1.774 179.387 177.584 0.048 0.000 1.154 347 A CA 1.677 53.779 52.037 0.107 0.000 0.679 347 A CB -1.017 18.067 19.000 0.139 0.000 0.795 347 A HN 0.640 nan 8.150 nan 0.000 0.458 348 F N -1.526 118.520 119.950 0.159 0.000 2.075 348 F HA -0.161 4.358 4.527 -0.013 0.000 0.297 348 F C 2.175 178.116 175.800 0.235 0.000 1.113 348 F CA 1.796 59.949 58.000 0.256 0.000 1.218 348 F CB -1.104 38.116 39.000 0.367 0.000 0.984 348 F HN 0.416 nan 8.300 nan 0.000 0.472 349 Y N -0.240 120.245 120.300 0.309 0.000 2.070 349 Y HA -0.358 4.183 4.550 -0.014 0.000 0.280 349 Y C 2.445 178.422 175.900 0.128 0.000 1.148 349 Y CA 1.749 59.955 58.100 0.177 0.000 1.125 349 Y CB -0.977 37.515 38.460 0.054 0.000 0.975 349 Y HN 0.044 nan 8.280 nan 0.000 0.492 350 Y N -0.148 120.339 120.300 0.311 0.000 2.165 350 Y HA -0.244 4.298 4.550 -0.013 0.000 0.286 350 Y C 2.696 178.700 175.900 0.174 0.000 1.155 350 Y CA 1.696 59.926 58.100 0.216 0.000 1.164 350 Y CB -1.555 37.063 38.460 0.264 0.000 0.978 350 Y HN 0.117 nan 8.280 nan 0.000 0.513 351 T N -0.731 114.018 114.554 0.324 0.000 2.770 351 T HA -0.107 4.235 4.350 -0.014 0.000 0.263 351 T C 2.225 177.004 174.700 0.130 0.000 1.039 351 T CA 1.398 63.687 62.100 0.314 0.000 1.142 351 T CB -0.737 68.280 68.868 0.249 0.000 0.868 351 T HN 0.124 nan 8.240 nan 0.000 0.435 352 V N 1.935 121.802 119.914 -0.078 0.000 2.343 352 V HA -0.177 3.935 4.120 -0.014 0.000 0.247 352 V C 2.438 178.395 176.094 -0.227 0.000 1.051 352 V CA 1.888 64.028 62.300 -0.267 0.000 1.036 352 V CB -0.619 30.784 31.823 -0.701 0.000 0.654 352 V HN 0.460 nan 8.190 nan 0.000 0.451 353 D N -0.320 119.907 120.400 -0.289 0.000 2.106 353 D HA -0.265 4.366 4.640 -0.014 0.000 0.191 353 D C 1.949 178.172 176.300 -0.128 0.000 0.997 353 D CA 1.722 55.563 54.000 -0.265 0.000 0.834 353 D CB -0.255 40.322 40.800 -0.372 0.000 0.956 353 D HN 0.380 nan 8.370 nan 0.000 0.448 354 F N 0.731 120.554 119.950 -0.211 0.000 2.065 354 F HA -0.169 4.349 4.527 -0.014 0.000 0.298 354 F C 2.059 177.700 175.800 -0.264 0.000 1.112 354 F CA 1.484 59.283 58.000 -0.336 0.000 1.212 354 F CB -0.408 38.147 39.000 -0.742 0.000 0.975 354 F HN 0.013 nan 8.300 nan 0.000 0.476 355 L N -0.160 120.988 121.223 -0.125 0.000 2.083 355 L HA -0.218 4.114 4.340 -0.014 0.000 0.209 355 L C 2.543 179.265 176.870 -0.246 0.000 1.083 355 L CA 1.877 56.609 54.840 -0.179 0.000 0.752 355 L CB -1.193 40.849 42.059 -0.029 0.000 0.899 355 L HN 0.406 nan 8.230 nan 0.000 0.433 356 T N -5.726 108.703 114.554 -0.209 0.000 2.901 356 T HA -0.071 4.270 4.350 -0.014 0.000 0.252 356 T C 1.809 176.398 174.700 -0.185 0.000 1.035 356 T CA 1.238 63.238 62.100 -0.166 0.000 1.142 356 T CB -0.417 68.378 68.868 -0.122 0.000 0.869 356 T HN 0.086 nan 8.240 nan 0.000 0.442 357 T N 1.269 115.698 114.554 -0.208 0.000 2.937 357 T HA 0.168 4.510 4.350 -0.014 0.000 0.260 357 T C 2.008 176.560 174.700 -0.246 0.000 1.051 357 T CA 0.769 62.761 62.100 -0.178 0.000 1.141 357 T CB -0.128 68.664 68.868 -0.126 0.000 0.879 357 T HN 0.209 nan 8.240 nan 0.000 0.459 358 V N 0.871 120.530 119.914 -0.426 0.000 2.581 358 V HA 0.117 4.229 4.120 -0.014 0.000 0.240 358 V C 2.236 178.023 176.094 -0.512 0.000 1.054 358 V CA 0.720 62.706 62.300 -0.522 0.000 1.076 358 V CB -0.190 31.133 31.823 -0.834 0.000 0.748 358 V HN 0.341 nan 8.190 nan 0.000 0.474 359 M N 0.180 119.399 119.600 -0.634 0.000 2.492 359 M HA 0.232 4.703 4.480 -0.014 0.000 0.262 359 M C 1.714 177.872 176.300 -0.238 0.000 1.090 359 M CA 1.169 56.232 55.300 -0.396 0.000 1.110 359 M CB -1.094 31.293 32.600 -0.356 0.000 1.407 359 M HN 0.574 nan 8.290 nan 0.000 0.470 360 G N 2.144 110.807 108.800 -0.228 0.000 2.249 360 G HA2 -0.238 3.714 3.960 -0.014 0.000 0.273 360 G HA3 -0.238 3.714 3.960 -0.014 0.000 0.273 360 G C -0.118 174.715 174.900 -0.112 0.000 1.036 360 G CA 0.046 45.058 45.100 -0.147 0.000 0.824 360 G HN 0.425 nan 8.290 nan 0.000 0.504 361 L N 0.808 121.960 121.223 -0.118 0.000 2.325 361 L HA 0.547 4.879 4.340 -0.014 0.000 0.278 361 L C -1.665 175.169 176.870 -0.061 0.000 1.023 361 L CA -2.446 52.346 54.840 -0.080 0.000 0.811 361 L CB 2.006 44.019 42.059 -0.076 0.000 1.249 361 L HN -0.042 nan 8.230 nan 0.000 0.431 362 P HA 0.081 nan 4.420 nan 0.000 0.279 362 P C -0.113 177.188 177.300 0.002 0.000 1.239 362 P CA -0.194 62.898 63.100 -0.014 0.000 0.789 362 P CB 1.580 33.280 31.700 -0.000 0.000 0.933 363 V N -0.916 119.012 119.914 0.024 0.000 2.991 363 V HA 0.415 4.527 4.120 -0.014 0.000 0.355 363 V C 1.497 177.707 176.094 0.193 0.000 1.384 363 V CA 0.646 62.989 62.300 0.071 0.000 1.171 363 V CB -0.024 31.802 31.823 0.004 0.000 1.190 363 V HN 0.529 nan 8.190 nan 0.000 0.540 364 G N 1.686 110.579 108.800 0.155 0.000 2.509 364 G HA2 0.117 4.069 3.960 -0.014 0.000 0.218 364 G HA3 0.117 4.069 3.960 -0.014 0.000 0.218 364 G C 0.726 175.812 174.900 0.311 0.000 1.124 364 G CA 1.393 46.602 45.100 0.183 0.000 0.776 364 G HN 0.838 nan 8.290 nan 0.000 0.547 365 T N -3.296 111.450 114.554 0.319 0.000 2.916 365 T HA 0.529 4.871 4.350 -0.014 0.000 0.292 365 T C 1.206 175.976 174.700 0.117 0.000 1.064 365 T CA -0.836 61.454 62.100 0.315 0.000 1.011 365 T CB 1.769 70.725 68.868 0.147 0.000 1.152 365 T HN -0.143 nan 8.240 nan 0.000 0.510 366 L N 0.591 121.709 121.223 -0.174 0.000 2.083 366 L HA -0.035 4.297 4.340 -0.014 0.000 0.209 366 L C 2.929 179.753 176.870 -0.078 0.000 1.083 366 L CA 1.545 56.162 54.840 -0.371 0.000 0.752 366 L CB -0.421 41.405 42.059 -0.389 0.000 0.899 366 L HN 0.837 nan 8.230 nan 0.000 0.433 367 K N 0.012 120.394 120.400 -0.030 0.000 2.026 367 K HA -0.230 4.082 4.320 -0.014 0.000 0.208 367 K C 2.111 178.687 176.600 -0.041 0.000 1.048 367 K CA 1.492 57.764 56.287 -0.025 0.000 0.929 367 K CB -0.019 32.478 32.500 -0.005 0.000 0.713 367 K HN 0.328 nan 8.250 nan 0.000 0.439 368 Q N 0.401 120.196 119.800 -0.007 0.000 2.061 368 Q HA -0.201 4.131 4.340 -0.014 0.000 0.204 368 Q C 2.188 178.173 176.000 -0.025 0.000 0.984 368 Q CA 1.601 57.403 55.803 -0.003 0.000 0.846 368 Q CB -0.221 28.538 28.738 0.036 0.000 0.902 368 Q HN 0.275 nan 8.270 nan 0.000 0.421 369 L N 1.207 122.420 121.223 -0.017 0.000 2.012 369 L HA -0.225 4.107 4.340 -0.014 0.000 0.210 369 L C 2.129 178.921 176.870 -0.130 0.000 1.073 369 L CA 1.996 56.819 54.840 -0.029 0.000 0.748 369 L CB -0.588 41.478 42.059 0.012 0.000 0.891 369 L HN 0.223 nan 8.230 nan 0.000 0.431 370 E N -0.504 119.533 120.200 -0.272 0.000 2.058 370 E HA -0.273 4.068 4.350 -0.014 0.000 0.194 370 E C 1.992 178.451 176.600 -0.235 0.000 0.997 370 E CA 1.723 57.822 56.400 -0.503 0.000 0.801 370 E CB -0.122 29.223 29.700 -0.593 0.000 0.746 370 E HN 0.688 nan 8.360 nan 0.000 0.450 371 E N 0.160 120.276 120.200 -0.139 0.000 2.058 371 E HA -0.226 4.116 4.350 -0.014 0.000 0.194 371 E C 2.074 178.638 176.600 -0.059 0.000 0.997 371 E CA 1.037 57.389 56.400 -0.081 0.000 0.801 371 E CB -0.211 29.457 29.700 -0.053 0.000 0.746 371 E HN 0.342 nan 8.360 nan 0.000 0.450 372 A N 0.944 123.732 122.820 -0.053 0.000 1.940 372 A HA -0.202 4.110 4.320 -0.014 0.000 0.219 372 A C 2.370 179.951 177.584 -0.005 0.000 1.176 372 A CA 1.983 54.002 52.037 -0.029 0.000 0.631 372 A CB -0.885 18.100 19.000 -0.026 0.000 0.814 372 A HN 0.202 nan 8.150 nan 0.000 0.446 373 T N -0.125 114.413 114.554 -0.026 0.000 2.737 373 T HA -0.135 4.206 4.350 -0.014 0.000 0.265 373 T C 1.769 176.471 174.700 0.003 0.000 1.038 373 T CA 1.618 63.717 62.100 -0.001 0.000 1.144 373 T CB -0.281 68.563 68.868 -0.040 0.000 0.866 373 T HN 0.662 nan 8.240 nan 0.000 0.434 374 E N 0.674 120.856 120.200 -0.031 0.000 2.049 374 E HA -0.125 4.217 4.350 -0.014 0.000 0.198 374 E C 2.189 178.794 176.600 0.009 0.000 1.007 374 E CA 1.253 57.644 56.400 -0.015 0.000 0.809 374 E CB -0.360 29.321 29.700 -0.032 0.000 0.749 374 E HN 0.453 nan 8.360 nan 0.000 0.450 375 I N 0.852 121.424 120.570 0.003 0.000 2.163 375 I HA -0.296 3.866 4.170 -0.014 0.000 0.243 375 I C 2.430 178.570 176.117 0.038 0.000 1.085 375 I CA 1.313 62.620 61.300 0.012 0.000 1.347 375 I CB -0.486 37.512 38.000 -0.004 0.000 1.044 375 I HN 0.159 nan 8.210 nan 0.000 0.408 376 T N -0.059 114.532 114.554 0.061 0.000 2.708 376 T HA -0.191 4.150 4.350 -0.014 0.000 0.266 376 T C 1.989 176.757 174.700 0.113 0.000 1.037 376 T CA 1.541 63.712 62.100 0.118 0.000 1.146 376 T CB -0.490 68.492 68.868 0.190 0.000 0.865 376 T HN 0.418 nan 8.240 nan 0.000 0.435 377 c N 1.998 120.650 118.600 0.087 0.000 2.419 377 c HA -0.002 4.560 4.570 -0.014 0.000 0.281 377 c C 2.507 176.642 174.090 0.075 0.000 1.336 377 c CA 0.286 56.663 56.329 0.081 0.000 1.770 377 c CB -1.219 41.329 42.510 0.063 0.000 1.929 377 c HN 0.541 nan 8.230 nan 0.000 0.509 378 N N 0.452 119.188 118.700 0.059 0.000 2.467 378 N HA 0.003 4.735 4.740 -0.014 0.000 0.184 378 N C 0.507 176.053 175.510 0.060 0.000 1.106 378 N CA 0.513 53.593 53.050 0.050 0.000 0.892 378 N CB -0.208 38.297 38.487 0.030 0.000 0.969 378 N HN 0.602 nan 8.380 nan 0.000 0.454 379 Q N 0.874 120.720 119.800 0.077 0.000 2.361 379 Q HA 0.035 4.367 4.340 -0.014 0.000 0.276 379 Q C 0.801 176.870 176.000 0.115 0.000 1.022 379 Q CA 0.256 56.110 55.803 0.085 0.000 0.898 379 Q CB 0.368 29.166 28.738 0.099 0.000 1.246 379 Q HN 0.294 nan 8.270 nan 0.000 0.410 380 T N -2.049 112.570 114.554 0.108 0.000 2.788 380 T HA 0.089 4.430 4.350 -0.014 0.000 0.287 380 T C 0.973 175.813 174.700 0.233 0.000 1.007 380 T CA -0.762 61.430 62.100 0.153 0.000 1.005 380 T CB 0.754 69.690 68.868 0.113 0.000 1.012 380 T HN 0.790 nan 8.240 nan 0.000 0.530 381 W N 1.207 122.540 121.300 0.055 0.000 2.363 381 W HA -0.244 4.407 4.660 -0.014 0.000 0.296 381 W C 2.118 178.661 176.519 0.040 0.000 1.212 381 W CA 1.542 58.921 57.345 0.057 0.000 1.260 381 W CB -0.502 29.021 29.460 0.105 0.000 1.131 381 W HN 0.963 nan 8.180 nan 0.000 0.530 382 T N -1.491 113.060 114.554 -0.006 0.000 2.737 382 T HA -0.226 4.115 4.350 -0.014 0.000 0.265 382 T C 1.397 176.024 174.700 -0.123 0.000 1.038 382 T CA 1.641 63.655 62.100 -0.144 0.000 1.144 382 T CB -0.791 68.044 68.868 -0.055 0.000 0.866 382 T HN 0.237 nan 8.240 nan 0.000 0.434 383 E N 0.728 120.907 120.200 -0.036 0.000 2.097 383 E HA -0.090 4.251 4.350 -0.014 0.000 0.196 383 E C 2.082 178.656 176.600 -0.042 0.000 1.000 383 E CA 1.138 57.521 56.400 -0.028 0.000 0.804 383 E CB -0.296 29.410 29.700 0.011 0.000 0.740 383 E HN 0.266 nan 8.360 nan 0.000 0.454 384 L N 1.193 122.405 121.223 -0.018 0.000 2.027 384 L HA -0.209 4.123 4.340 -0.014 0.000 0.206 384 L C 2.165 178.965 176.870 -0.117 0.000 1.074 384 L CA 1.776 56.620 54.840 0.006 0.000 0.745 384 L CB -0.346 41.799 42.059 0.144 0.000 0.898 384 L HN 0.086 nan 8.230 nan 0.000 0.433 385 Q N -1.065 118.533 119.800 -0.336 0.000 2.124 385 Q HA -0.177 4.155 4.340 -0.014 0.000 0.202 385 Q C 2.160 178.024 176.000 -0.227 0.000 0.977 385 Q CA 1.497 57.049 55.803 -0.418 0.000 0.850 385 Q CB -0.347 27.974 28.738 -0.696 0.000 0.901 385 Q HN 0.652 nan 8.270 nan 0.000 0.429 386 A N 0.977 123.689 122.820 -0.180 0.000 2.131 386 A HA -0.182 4.129 4.320 -0.014 0.000 0.220 386 A C 1.781 179.309 177.584 -0.094 0.000 1.158 386 A CA 1.134 53.099 52.037 -0.120 0.000 0.665 386 A CB -0.267 18.675 19.000 -0.097 0.000 0.795 386 A HN 0.219 nan 8.150 nan 0.000 0.460 387 R N -1.316 119.129 120.500 -0.090 0.000 2.297 387 R HA 0.151 4.483 4.340 -0.014 0.000 0.197 387 R C -0.598 175.655 176.300 -0.077 0.000 0.943 387 R CA 0.354 56.402 56.100 -0.088 0.000 1.038 387 R CB 0.353 30.593 30.300 -0.100 0.000 0.957 387 R HN 0.260 nan 8.270 nan 0.000 0.484 388 V N 2.124 121.999 119.914 -0.065 0.000 2.327 388 V HA 0.179 4.291 4.120 -0.014 0.000 0.272 388 V C -2.010 174.054 176.094 -0.050 0.000 1.019 388 V CA -1.292 60.986 62.300 -0.036 0.000 0.814 388 V CB 1.751 33.585 31.823 0.018 0.000 1.040 388 V HN -0.029 nan 8.190 nan 0.000 0.440 389 P HA -0.010 nan 4.420 nan 0.000 0.220 389 P C 1.140 178.421 177.300 -0.031 0.000 1.148 389 P CA 1.072 64.146 63.100 -0.043 0.000 0.803 389 P CB 0.423 32.102 31.700 -0.036 0.000 0.782 390 G N -0.255 108.536 108.800 -0.016 0.000 2.714 390 G HA2 0.297 4.249 3.960 -0.014 0.000 0.197 390 G HA3 0.297 4.249 3.960 -0.014 0.000 0.197 390 G C -0.528 174.374 174.900 0.004 0.000 1.449 390 G CA -0.308 44.791 45.100 -0.003 0.000 1.065 390 G HN 0.179 nan 8.290 nan 0.000 0.575 391 Q N -0.305 119.506 119.800 0.017 0.000 2.361 391 Q HA 0.268 4.600 4.340 -0.014 0.000 0.276 391 Q C 0.006 176.032 176.000 0.043 0.000 1.022 391 Q CA 0.368 56.187 55.803 0.027 0.000 0.898 391 Q CB 0.839 29.593 28.738 0.026 0.000 1.246 391 Q HN 0.349 nan 8.270 nan 0.000 0.410 392 K N 1.702 122.136 120.400 0.057 0.000 2.399 392 K HA 0.103 4.414 4.320 -0.014 0.000 0.204 392 K C -0.161 176.499 176.600 0.101 0.000 1.023 392 K CA 0.262 56.605 56.287 0.093 0.000 1.127 392 K CB 0.173 32.741 32.500 0.113 0.000 0.856 392 K HN 0.915 nan 8.250 nan 0.000 0.514 393 T N -0.445 114.142 114.554 0.056 0.000 2.940 393 T HA 0.112 4.454 4.350 -0.014 0.000 0.309 393 T C 0.780 175.472 174.700 -0.014 0.000 1.056 393 T CA -0.088 62.019 62.100 0.011 0.000 1.137 393 T CB 0.882 69.747 68.868 -0.004 0.000 0.976 393 T HN 0.438 nan 8.240 nan 0.000 0.547 394 R N -0.609 119.830 120.500 -0.101 0.000 3.746 394 R HA -0.170 4.161 4.340 -0.014 0.000 0.465 394 R C 1.274 177.428 176.300 -0.243 0.000 0.725 394 R CA 0.957 56.921 56.100 -0.226 0.000 1.545 394 R CB -2.054 28.096 30.300 -0.250 0.000 2.197 394 R HN 0.602 nan 8.270 nan 0.000 0.438 395 L N 1.137 122.348 121.223 -0.019 0.000 2.046 395 L HA 0.006 4.338 4.340 -0.014 0.000 0.208 395 L C 2.363 179.245 176.870 0.020 0.000 1.077 395 L CA 2.555 57.479 54.840 0.139 0.000 0.747 395 L CB -0.478 41.731 42.059 0.250 0.000 0.896 395 L HN 0.327 nan 8.230 nan 0.000 0.432 396 A N -1.564 121.094 122.820 -0.270 0.000 2.172 396 A HA -0.117 4.195 4.320 -0.014 0.000 0.216 396 A C 1.684 179.007 177.584 -0.435 0.000 1.154 396 A CA 1.445 53.107 52.037 -0.626 0.000 0.701 396 A CB -0.528 17.347 19.000 -1.875 0.000 0.789 396 A HN 0.532 nan 8.150 nan 0.000 0.465 397 D N -2.115 118.067 120.400 -0.363 0.000 2.360 397 D HA 0.057 4.688 4.640 -0.014 0.000 0.210 397 D C 0.958 177.091 176.300 -0.278 0.000 1.047 397 D CA 0.311 54.149 54.000 -0.269 0.000 0.854 397 D CB -0.106 40.516 40.800 -0.296 0.000 0.936 397 D HN 0.522 nan 8.370 nan 0.000 0.514 398 Y N 0.827 120.972 120.300 -0.257 0.000 2.181 398 Y HA -0.228 4.314 4.550 -0.014 0.000 0.288 398 Y C 2.668 178.500 175.900 -0.113 0.000 1.146 398 Y CA 0.745 58.657 58.100 -0.314 0.000 1.164 398 Y CB -0.705 37.254 38.460 -0.836 0.000 0.982 398 Y HN 0.122 nan 8.280 nan 0.000 0.515 399 c N 0.179 118.831 118.600 0.087 0.000 2.393 399 c HA -0.242 4.320 4.570 -0.014 0.000 0.276 399 c C 2.973 177.111 174.090 0.079 0.000 1.215 399 c CA 1.567 57.954 56.329 0.097 0.000 1.743 399 c CB -1.444 41.120 42.510 0.090 0.000 2.044 399 c HN 0.567 nan 8.230 nan 0.000 0.464 400 A N 0.103 122.949 122.820 0.042 0.000 1.908 400 A HA -0.066 4.246 4.320 -0.014 0.000 0.218 400 A C 2.372 180.011 177.584 0.091 0.000 1.181 400 A CA 2.564 54.633 52.037 0.053 0.000 0.627 400 A CB -0.908 18.100 19.000 0.013 0.000 0.818 400 A HN 0.588 nan 8.150 nan 0.000 0.445 401 V N -0.313 119.630 119.914 0.048 0.000 2.379 401 V HA -0.173 3.939 4.120 -0.014 0.000 0.245 401 V C 3.026 179.240 176.094 0.199 0.000 1.044 401 V CA 1.726 64.087 62.300 0.103 0.000 1.036 401 V CB -1.332 30.480 31.823 -0.017 0.000 0.664 401 V HN 0.607 nan 8.190 nan 0.000 0.453 402 A N -0.179 122.740 122.820 0.164 0.000 1.908 402 A HA -0.295 4.017 4.320 -0.014 0.000 0.218 402 A C 2.195 179.875 177.584 0.161 0.000 1.181 402 A CA 2.524 54.660 52.037 0.165 0.000 0.627 402 A CB -0.575 18.520 19.000 0.158 0.000 0.818 402 A HN 0.466 nan 8.150 nan 0.000 0.445 403 M N -1.359 118.335 119.600 0.157 0.000 2.080 403 M HA -0.090 4.382 4.480 -0.014 0.000 0.260 403 M C 1.829 178.260 176.300 0.218 0.000 1.068 403 M CA 1.922 57.319 55.300 0.162 0.000 1.109 403 M CB -0.705 31.980 32.600 0.141 0.000 1.342 403 M HN 0.470 nan 8.290 nan 0.000 0.405 404 F N 0.230 120.243 119.950 0.105 0.000 2.095 404 F HA -0.182 4.337 4.527 -0.014 0.000 0.298 404 F C 1.862 177.742 175.800 0.134 0.000 1.104 404 F CA 1.873 59.954 58.000 0.136 0.000 1.232 404 F CB -0.610 38.434 39.000 0.072 0.000 0.987 404 F HN 0.183 nan 8.300 nan 0.000 0.475 405 I N -0.190 120.371 120.570 -0.015 0.000 2.163 405 I HA -0.374 3.788 4.170 -0.014 0.000 0.243 405 I C 2.749 178.809 176.117 -0.094 0.000 1.085 405 I CA 1.847 63.105 61.300 -0.070 0.000 1.347 405 I CB -0.872 37.234 38.000 0.176 0.000 1.044 405 I HN 0.312 nan 8.210 nan 0.000 0.408 406 H N 1.189 120.201 119.070 -0.097 0.000 2.319 406 H HA -0.224 4.324 4.556 -0.013 0.000 0.297 406 H C 2.128 177.299 175.328 -0.262 0.000 1.097 406 H CA 2.055 58.008 56.048 -0.158 0.000 1.285 406 H CB 0.082 29.776 29.762 -0.113 0.000 1.368 406 H HN 0.466 nan 8.280 nan 0.000 0.495 407 Q N -0.178 119.426 119.800 -0.326 0.000 2.083 407 Q HA -0.096 4.236 4.340 -0.014 0.000 0.198 407 Q C 2.617 178.027 176.000 -0.983 0.000 0.969 407 Q CA 0.850 56.315 55.803 -0.564 0.000 0.838 407 Q CB -0.001 28.555 28.738 -0.303 0.000 0.900 407 Q HN 0.298 nan 8.270 nan 0.000 0.436 408 L N 0.988 121.660 121.223 -0.919 0.000 2.013 408 L HA -0.218 4.114 4.340 -0.014 0.000 0.212 408 L C 1.975 178.328 176.870 -0.861 0.000 1.073 408 L CA 1.750 55.968 54.840 -1.035 0.000 0.753 408 L CB -0.498 40.995 42.059 -0.942 0.000 0.890 408 L HN 0.179 nan 8.230 nan 0.000 0.432 409 L N -1.149 119.762 121.223 -0.520 0.000 2.027 409 L HA -0.148 4.184 4.340 -0.014 0.000 0.206 409 L C 2.604 179.352 176.870 -0.202 0.000 1.074 409 L CA 1.452 56.150 54.840 -0.237 0.000 0.745 409 L CB -0.802 41.106 42.059 -0.251 0.000 0.898 409 L HN 0.507 nan 8.230 nan 0.000 0.433 410 S N -0.444 114.985 115.700 -0.451 0.000 2.388 410 S HA -0.040 4.421 4.470 -0.014 0.000 0.223 410 S C 2.059 176.453 174.600 -0.343 0.000 1.034 410 S CA 0.187 58.159 58.200 -0.379 0.000 0.963 410 S CB -0.132 62.733 63.200 -0.559 0.000 0.827 410 S HN 0.328 nan 8.310 nan 0.000 0.481 411 R N 0.672 120.857 120.500 -0.526 0.000 2.175 411 R HA 0.273 4.605 4.340 -0.014 0.000 0.202 411 R C 2.605 178.508 176.300 -0.662 0.000 1.018 411 R CA 0.720 56.532 56.100 -0.480 0.000 1.029 411 R CB -0.534 29.428 30.300 -0.563 0.000 0.959 411 R HN 0.526 nan 8.270 nan 0.000 0.480 412 G N 0.315 108.554 108.800 -0.935 0.000 2.425 412 G HA2 -0.197 3.755 3.960 -0.014 0.000 0.213 412 G HA3 -0.197 3.755 3.960 -0.014 0.000 0.213 412 G C 0.784 175.385 174.900 -0.499 0.000 1.201 412 G CA 0.351 44.980 45.100 -0.786 0.000 0.799 412 G HN 0.167 nan 8.290 nan 0.000 0.534 413 Y N 0.635 120.688 120.300 -0.412 0.000 2.523 413 Y HA 0.180 4.722 4.550 -0.013 0.000 0.279 413 Y C 0.996 176.633 175.900 -0.439 0.000 1.139 413 Y CA -0.322 57.597 58.100 -0.301 0.000 1.296 413 Y CB -0.369 38.084 38.460 -0.012 0.000 1.045 413 Y HN 0.437 nan 8.280 nan 0.000 0.538 414 H N -2.470 116.584 119.070 -0.027 0.000 2.839 414 H HA -0.195 4.353 4.556 -0.014 0.000 0.298 414 H C -0.376 174.835 175.328 -0.196 0.000 1.224 414 H CA 0.256 56.233 56.048 -0.118 0.000 1.144 414 H CB -2.547 27.142 29.762 -0.121 0.000 1.372 414 H HN 0.186 nan 8.280 nan 0.000 0.408 415 F N 2.319 122.220 119.950 -0.082 0.000 2.563 415 F HA 0.135 4.654 4.527 -0.012 0.000 0.363 415 F C 1.490 177.248 175.800 -0.070 0.000 1.123 415 F CA 0.814 58.765 58.000 -0.082 0.000 1.307 415 F CB 0.588 39.545 39.000 -0.072 0.000 1.115 415 F HN 0.292 nan 8.300 nan 0.000 0.592 416 D N 0.558 121.040 120.400 0.137 0.000 2.689 416 D HA 0.205 4.837 4.640 -0.014 0.000 0.255 416 D C 0.656 177.039 176.300 0.138 0.000 1.113 416 D CA -0.517 53.531 54.000 0.080 0.000 1.115 416 D CB 0.302 41.122 40.800 0.034 0.000 1.334 416 D HN 0.282 nan 8.370 nan 0.000 0.621 417 E N -0.376 119.881 120.200 0.096 0.000 2.110 417 E HA -0.172 4.170 4.350 -0.014 0.000 0.193 417 E C 1.850 178.549 176.600 0.165 0.000 0.988 417 E CA 0.842 57.323 56.400 0.135 0.000 0.804 417 E CB -0.160 29.592 29.700 0.087 0.000 0.745 417 E HN 0.522 nan 8.360 nan 0.000 0.458 418 R N 0.976 121.545 120.500 0.116 0.000 2.066 418 R HA -0.107 4.224 4.340 -0.014 0.000 0.232 418 R C 2.376 178.750 176.300 0.124 0.000 1.131 418 R CA 1.918 58.076 56.100 0.096 0.000 0.955 418 R CB -0.115 30.219 30.300 0.057 0.000 0.851 418 R HN 0.176 nan 8.270 nan 0.000 0.432 419 S N -0.391 115.403 115.700 0.157 0.000 2.436 419 S HA -0.107 4.355 4.470 -0.014 0.000 0.228 419 S C 1.741 176.559 174.600 0.363 0.000 1.014 419 S CA 0.504 58.829 58.200 0.208 0.000 0.950 419 S CB -0.461 62.791 63.200 0.086 0.000 0.784 419 S HN 0.443 nan 8.310 nan 0.000 0.504 420 F N 2.711 122.783 119.950 0.204 0.000 2.325 420 F HA 0.267 4.785 4.527 -0.014 0.000 0.299 420 F C 2.410 178.215 175.800 0.007 0.000 1.090 420 F CA 0.449 58.477 58.000 0.045 0.000 1.392 420 F CB -0.227 38.774 39.000 0.001 0.000 1.053 420 F HN 0.059 nan 8.300 nan 0.000 0.521 421 R N 0.433 120.968 120.500 0.058 0.000 2.159 421 R HA -0.149 4.183 4.340 -0.014 0.000 0.237 421 R C 1.267 177.508 176.300 -0.099 0.000 1.131 421 R CA 1.593 57.676 56.100 -0.027 0.000 0.982 421 R CB -0.168 30.163 30.300 0.051 0.000 0.868 421 R HN 0.257 nan 8.270 nan 0.000 0.453 422 E N -0.078 120.089 120.200 -0.055 0.000 2.479 422 E HA 0.047 4.389 4.350 -0.014 0.000 0.193 422 E C -0.227 176.325 176.600 -0.080 0.000 1.049 422 E CA 0.094 56.478 56.400 -0.026 0.000 0.870 422 E CB 0.628 30.373 29.700 0.074 0.000 0.944 422 E HN 0.061 nan 8.360 nan 0.000 0.492 423 V N 2.393 122.125 119.914 -0.303 0.000 2.465 423 V HA 0.185 4.296 4.120 -0.014 0.000 0.279 423 V C 0.405 176.178 176.094 -0.535 0.000 1.045 423 V CA -0.783 61.224 62.300 -0.488 0.000 0.938 423 V CB 1.392 32.659 31.823 -0.926 0.000 0.986 423 V HN -0.003 nan 8.190 nan 0.000 0.467 424 V N 2.120 121.783 119.914 -0.419 0.000 2.667 424 V HA 0.691 4.803 4.120 -0.014 0.000 0.308 424 V C -0.920 174.936 176.094 -0.397 0.000 1.048 424 V CA -0.791 61.335 62.300 -0.291 0.000 0.928 424 V CB 1.744 33.508 31.823 -0.098 0.000 1.004 424 V HN 0.530 nan 8.190 nan 0.000 0.444 425 F N 3.382 123.364 119.950 0.053 0.000 2.332 425 F HA 0.762 5.281 4.527 -0.013 0.000 0.368 425 F C 0.443 176.442 175.800 0.331 0.000 1.110 425 F CA -0.077 58.035 58.000 0.187 0.000 1.087 425 F CB 1.394 40.487 39.000 0.155 0.000 1.235 425 F HN 0.513 nan 8.300 nan 0.000 0.470 426 Q N 1.973 122.014 119.800 0.402 0.000 2.462 426 Q HA 0.315 4.647 4.340 -0.014 0.000 0.285 426 Q C -0.093 175.888 176.000 -0.032 0.000 1.035 426 Q CA -0.757 55.152 55.803 0.177 0.000 0.799 426 Q CB 2.633 31.415 28.738 0.073 0.000 1.452 426 Q HN 0.759 nan 8.270 nan 0.000 0.404 427 K N -0.920 119.263 120.400 -0.362 0.000 2.477 427 K HA 0.428 4.739 4.320 -0.014 0.000 0.208 427 K C 0.092 176.568 176.600 -0.206 0.000 1.117 427 K CA -0.098 56.012 56.287 -0.295 0.000 1.039 427 K CB 1.487 33.672 32.500 -0.525 0.000 0.937 427 K HN 0.174 nan 8.250 nan 0.000 0.570 428 K N 0.918 121.213 120.400 -0.174 0.000 2.468 428 K HA 0.633 4.945 4.320 -0.014 0.000 0.252 428 K C -1.903 174.642 176.600 -0.092 0.000 0.932 428 K CA -0.751 55.469 56.287 -0.113 0.000 0.794 428 K CB 2.370 34.826 32.500 -0.074 0.000 1.241 428 K HN 0.211 nan 8.250 nan 0.000 0.428 429 A N 1.784 124.554 122.820 -0.084 0.000 2.398 429 A HA 0.712 5.024 4.320 -0.014 0.000 0.301 429 A C -0.370 177.191 177.584 -0.038 0.000 1.041 429 A CA 0.009 52.004 52.037 -0.070 0.000 0.711 429 A CB 1.439 20.378 19.000 -0.102 0.000 1.240 429 A HN 1.154 nan 8.150 nan 0.000 0.420 430 A N 3.183 125.988 122.820 -0.026 0.000 2.560 430 A HA -0.100 4.212 4.320 -0.014 0.000 0.299 430 A C 0.574 178.171 177.584 0.022 0.000 1.484 430 A CA 1.294 53.329 52.037 -0.003 0.000 0.749 430 A CB -2.039 16.957 19.000 -0.007 0.000 1.072 430 A HN 1.716 nan 8.150 nan 0.000 0.426 431 D N -2.330 118.081 120.400 0.019 0.000 3.018 431 D HA -0.172 4.460 4.640 -0.014 0.000 0.224 431 D C 0.202 176.534 176.300 0.053 0.000 1.185 431 D CA 1.953 55.974 54.000 0.035 0.000 0.858 431 D CB -1.902 38.926 40.800 0.045 0.000 1.112 431 D HN 0.876 nan 8.370 nan 0.000 0.415 432 T N 0.115 114.693 114.554 0.041 0.000 2.807 432 T HA 0.584 4.926 4.350 -0.014 0.000 0.279 432 T C 0.307 174.996 174.700 -0.019 0.000 0.993 432 T CA -0.157 61.976 62.100 0.054 0.000 0.970 432 T CB 1.990 70.914 68.868 0.094 0.000 0.950 432 T HN 0.269 nan 8.240 nan 0.000 0.441 433 A N 3.136 125.939 122.820 -0.029 0.000 2.524 433 A HA 0.421 4.733 4.320 -0.014 0.000 0.250 433 A C 0.420 177.860 177.584 -0.240 0.000 1.078 433 A CA -0.293 51.684 52.037 -0.100 0.000 0.761 433 A CB -0.144 18.848 19.000 -0.014 0.000 1.012 433 A HN 0.713 nan 8.150 nan 0.000 0.500 434 V N 2.900 122.647 119.914 -0.278 0.000 2.530 434 V HA 0.641 4.753 4.120 -0.014 0.000 0.282 434 V C 0.992 176.762 176.094 -0.539 0.000 1.048 434 V CA 0.997 63.019 62.300 -0.464 0.000 0.997 434 V CB 0.502 31.940 31.823 -0.641 0.000 0.987 434 V HN 1.467 nan 8.190 nan 0.000 0.477 435 G N 3.709 112.220 108.800 -0.481 0.000 2.340 435 G HA2 0.196 4.148 3.960 -0.014 0.000 0.299 435 G HA3 0.196 4.148 3.960 -0.014 0.000 0.299 435 G C -0.205 174.638 174.900 -0.096 0.000 1.291 435 G CA -0.115 44.843 45.100 -0.237 0.000 0.841 435 G HN 0.724 nan 8.290 nan 0.000 0.500 436 W N -0.386 120.981 121.300 0.111 0.000 2.770 436 W HA 0.347 4.999 4.660 -0.014 0.000 0.256 436 W C 1.544 178.092 176.519 0.048 0.000 1.291 436 W CA 1.035 58.470 57.345 0.150 0.000 1.396 436 W CB -0.855 28.746 29.460 0.234 0.000 1.114 436 W HN 0.675 nan 8.180 nan 0.000 0.637 437 A N 2.271 124.747 122.820 -0.574 0.000 1.908 437 A HA -0.202 4.110 4.320 -0.014 0.000 0.218 437 A C 2.113 179.587 177.584 -0.183 0.000 1.181 437 A CA 2.066 53.838 52.037 -0.442 0.000 0.627 437 A CB -0.987 17.696 19.000 -0.529 0.000 0.818 437 A HN 0.261 nan 8.150 nan 0.000 0.445 438 L N 0.188 121.197 121.223 -0.356 0.000 1.994 438 L HA -0.041 4.290 4.340 -0.014 0.000 0.208 438 L C 2.428 179.016 176.870 -0.470 0.000 1.071 438 L CA 2.530 56.965 54.840 -0.676 0.000 0.745 438 L CB -1.267 40.386 42.059 -0.677 0.000 0.892 438 L HN 0.301 nan 8.230 nan 0.000 0.431 439 G N -1.924 106.737 108.800 -0.232 0.000 2.442 439 G HA2 -0.380 3.572 3.960 -0.014 0.000 0.219 439 G HA3 -0.380 3.572 3.960 -0.014 0.000 0.219 439 G C 1.574 176.243 174.900 -0.385 0.000 1.141 439 G CA 1.024 46.052 45.100 -0.121 0.000 0.763 439 G HN 0.518 nan 8.290 nan 0.000 0.554 440 Y N 0.513 120.417 120.300 -0.661 0.000 2.145 440 Y HA -0.040 4.502 4.550 -0.014 0.000 0.286 440 Y C 2.810 178.270 175.900 -0.733 0.000 1.145 440 Y CA 1.878 59.361 58.100 -1.028 0.000 1.148 440 Y CB -0.229 38.029 38.460 -0.337 0.000 0.981 440 Y HN 0.165 nan 8.280 nan 0.000 0.507 441 M N -0.677 118.632 119.600 -0.485 0.000 2.086 441 M HA -0.223 4.249 4.480 -0.014 0.000 0.261 441 M C 2.122 178.099 176.300 -0.538 0.000 1.067 441 M CA 1.763 56.746 55.300 -0.527 0.000 1.116 441 M CB -0.482 31.977 32.600 -0.235 0.000 1.348 441 M HN 0.418 nan 8.290 nan 0.000 0.407 442 L N 0.212 121.108 121.223 -0.544 0.000 2.013 442 L HA -0.328 4.004 4.340 -0.014 0.000 0.212 442 L C 2.521 179.152 176.870 -0.399 0.000 1.073 442 L CA 1.793 56.329 54.840 -0.507 0.000 0.753 442 L CB -1.264 40.465 42.059 -0.551 0.000 0.890 442 L HN 0.516 nan 8.230 nan 0.000 0.432 443 N N 0.787 119.239 118.700 -0.414 0.000 2.058 443 N HA -0.172 4.560 4.740 -0.014 0.000 0.191 443 N C 1.901 177.207 175.510 -0.340 0.000 1.037 443 N CA 1.504 54.373 53.050 -0.302 0.000 0.848 443 N CB -0.018 38.342 38.487 -0.211 0.000 1.021 443 N HN 0.313 nan 8.380 nan 0.000 0.422 444 L N 0.208 121.098 121.223 -0.555 0.000 2.291 444 L HA -0.022 4.309 4.340 -0.014 0.000 0.214 444 L C 1.513 178.247 176.870 -0.228 0.000 1.120 444 L CA 0.902 55.441 54.840 -0.503 0.000 0.799 444 L CB -0.325 41.128 42.059 -1.009 0.000 0.925 444 L HN 0.151 nan 8.230 nan 0.000 0.446 445 T N -1.065 113.361 114.554 -0.213 0.000 3.107 445 T HA 0.018 4.360 4.350 -0.014 0.000 0.249 445 T C 0.752 175.394 174.700 -0.097 0.000 1.096 445 T CA 0.025 62.093 62.100 -0.054 0.000 1.012 445 T CB -0.222 68.620 68.868 -0.043 0.000 0.977 445 T HN 0.267 nan 8.240 nan 0.000 0.527 446 N N 0.676 119.288 118.700 -0.146 0.000 2.721 446 N HA -0.153 4.579 4.740 -0.014 0.000 0.249 446 N C 0.397 175.825 175.510 -0.138 0.000 1.072 446 N CA 0.219 53.194 53.050 -0.124 0.000 0.710 446 N CB -1.848 36.597 38.487 -0.070 0.000 0.993 446 N HN 0.460 nan 8.380 nan 0.000 0.547 447 L N -0.684 120.414 121.223 -0.207 0.000 2.558 447 L HA 0.229 4.560 4.340 -0.014 0.000 0.225 447 L C 0.718 177.492 176.870 -0.161 0.000 1.128 447 L CA 0.408 55.116 54.840 -0.220 0.000 0.868 447 L CB 0.056 41.875 42.059 -0.401 0.000 1.006 447 L HN 0.256 nan 8.230 nan 0.000 0.454 448 I N 2.376 122.831 120.570 -0.191 0.000 2.307 448 I HA 0.230 4.392 4.170 -0.014 0.000 0.289 448 I C -1.973 173.956 176.117 -0.314 0.000 1.021 448 I CA -1.858 59.285 61.300 -0.261 0.000 1.224 448 I CB 1.241 39.063 38.000 -0.298 0.000 1.376 448 I HN -0.140 nan 8.210 nan 0.000 0.470 449 P HA 0.123 nan 4.420 nan 0.000 0.271 449 P C 0.436 177.560 177.300 -0.293 0.000 1.216 449 P CA -0.203 62.760 63.100 -0.229 0.000 0.776 449 P CB 1.614 33.245 31.700 -0.116 0.000 0.881 450 A N 3.308 126.028 122.820 -0.166 0.000 1.898 450 A HA -0.064 4.248 4.320 -0.014 0.000 0.216 450 A C 0.809 178.352 177.584 -0.068 0.000 1.181 450 A CA 1.369 53.333 52.037 -0.121 0.000 0.620 450 A CB -0.363 18.593 19.000 -0.074 0.000 0.819 450 A HN 0.560 nan 8.150 nan 0.000 0.442 451 D N -1.763 118.617 120.400 -0.034 0.000 2.477 451 D HA 0.544 5.176 4.640 -0.014 0.000 0.234 451 D C -0.557 175.771 176.300 0.046 0.000 1.048 451 D CA -0.477 53.540 54.000 0.028 0.000 0.959 451 D CB 1.371 42.195 40.800 0.040 0.000 1.408 451 D HN 0.125 nan 8.370 nan 0.000 0.496 452 L N 1.110 122.388 121.223 0.091 0.000 2.464 452 L HA 0.233 4.565 4.340 -0.014 0.000 0.264 452 L C -1.990 174.906 176.870 0.043 0.000 1.199 452 L CA -1.425 53.468 54.840 0.089 0.000 0.818 452 L CB -0.230 41.882 42.059 0.087 0.000 1.102 452 L HN 0.077 nan 8.230 nan 0.000 0.473 453 P HA 0.043 nan 4.420 nan 0.000 0.262 453 P C 0.609 177.909 177.300 0.000 0.000 1.199 453 P CA 0.544 63.655 63.100 0.019 0.000 0.763 453 P CB 0.559 32.273 31.700 0.023 0.000 0.790 454 G N 3.571 112.371 108.800 0.001 0.000 2.203 454 G HA2 -0.317 3.635 3.960 -0.014 0.000 0.263 454 G HA3 -0.317 3.635 3.960 -0.014 0.000 0.263 454 G C 0.563 175.446 174.900 -0.029 0.000 1.012 454 G CA 0.197 45.290 45.100 -0.011 0.000 0.749 454 G HN 0.649 nan 8.290 nan 0.000 0.512 455 L N -2.619 118.597 121.223 -0.012 0.000 4.001 455 L HA -0.266 4.066 4.340 -0.014 0.000 0.413 455 L C 1.322 178.112 176.870 -0.132 0.000 1.185 455 L CA 1.244 56.071 54.840 -0.022 0.000 0.963 455 L CB -1.587 40.489 42.059 0.030 0.000 1.976 455 L HN 0.762 nan 8.230 nan 0.000 0.939 456 R N 0.646 121.073 120.500 -0.123 0.000 3.405 456 R HA -0.228 4.103 4.340 -0.014 0.000 0.258 456 R C 0.736 176.906 176.300 -0.217 0.000 1.030 456 R CA 1.207 57.197 56.100 -0.183 0.000 0.691 456 R CB -0.445 29.660 30.300 -0.325 0.000 1.093 456 R HN 0.505 nan 8.270 nan 0.000 0.448 457 K N -3.109 117.184 120.400 -0.178 0.000 3.130 457 K HA -0.246 4.066 4.320 -0.014 0.000 0.282 457 K C 0.736 177.137 176.600 -0.332 0.000 1.145 457 K CA 1.544 57.719 56.287 -0.187 0.000 0.831 457 K CB -2.339 30.090 32.500 -0.119 0.000 1.226 457 K HN 1.044 nan 8.250 nan 0.000 0.478 458 G N -0.534 107.932 108.800 -0.558 0.000 2.148 458 G HA2 -0.413 3.539 3.960 -0.014 0.000 0.254 458 G HA3 -0.413 3.539 3.960 -0.014 0.000 0.254 458 G C 0.880 175.301 174.900 -0.798 0.000 0.981 458 G CA 1.759 46.118 45.100 -1.234 0.000 0.670 458 G HN 0.794 nan 8.290 nan 0.000 0.528 459 T N -3.299 111.012 114.554 -0.405 0.000 3.007 459 T HA 0.003 4.345 4.350 -0.014 0.000 0.270 459 T C 1.496 176.167 174.700 -0.048 0.000 1.107 459 T CA 1.689 63.704 62.100 -0.142 0.000 1.118 459 T CB -0.358 68.487 68.868 -0.038 0.000 0.889 459 T HN 0.664 nan 8.240 nan 0.000 0.506 460 H N -0.383 118.557 119.070 -0.216 0.000 2.517 460 H HA 0.330 4.877 4.556 -0.014 0.000 0.282 460 H C -0.011 175.310 175.328 -0.011 0.000 1.023 460 H CA -1.082 54.782 56.048 -0.306 0.000 1.169 460 H CB 0.078 29.658 29.762 -0.304 0.000 1.454 460 H HN 0.211 nan 8.280 nan 0.000 0.556 461 F N 0.000 119.935 119.950 -0.025 0.000 2.286 461 F HA 0.000 4.522 4.527 -0.008 0.000 0.279 461 F CA 0.000 57.985 58.000 -0.025 0.000 1.383 461 F CB 0.000 38.997 39.000 -0.005 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574