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 1oe5_1_B DATA FIRST_RESID 36 DATA SEQUENCE ESPADSFLKV ELELNLKLSN LVFQDPVQYV YNPLVYAWAP HENYVQTYCK DATA SEQUENCE SKKEVLFLGM NPGPFGMAQT GVPFGEVNHV RDWLQIEGPV SKPEVEHPKR DATA SEQUENCE RIRGFECPQS EVSGARFWSL FKSLCGQPET FFKHCFVHNH CPLIFMNHSG DATA SEQUENCE KNLTPTDLPK AQRDTLLEIC DEALCQAVRV LGVKLVIGVG RFSEQRARKA DATA SEQUENCE LMAEGIDVTV KGIMHPSPRN PQANKGWEGI VRGQLLELGV LSLLT 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 E HA 0.000 nan 4.350 nan 0.000 0.291 36 E C 0.000 176.581 176.600 -0.031 0.000 1.382 36 E CA 0.000 56.388 56.400 -0.021 0.000 0.976 36 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 37 S N 1.663 117.339 115.700 -0.039 0.000 2.422 37 S HA 0.386 4.856 4.470 -0.000 0.000 0.308 37 S C -2.021 172.543 174.600 -0.060 0.000 1.097 37 S CA -1.183 56.980 58.200 -0.062 0.000 1.099 37 S CB 1.117 64.278 63.200 -0.065 0.000 0.976 37 S HN 0.259 nan 8.310 nan 0.000 0.471 38 P HA 0.163 nan 4.420 nan 0.000 0.241 38 P C 1.435 178.709 177.300 -0.044 0.000 1.191 38 P CA 0.510 63.575 63.100 -0.059 0.000 0.771 38 P CB -0.114 31.538 31.700 -0.080 0.000 0.929 39 A N 1.197 123.956 122.820 -0.101 0.000 1.881 39 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 39 A C 2.307 179.924 177.584 0.056 0.000 1.215 39 A CA 2.311 54.303 52.037 -0.075 0.000 0.648 39 A CB -1.661 17.268 19.000 -0.118 0.000 0.832 39 A HN 0.177 nan 8.150 nan 0.000 0.455 40 D N -0.657 119.768 120.400 0.041 0.000 2.104 40 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 40 D C 2.141 178.504 176.300 0.105 0.000 0.994 40 D CA 1.810 55.857 54.000 0.078 0.000 0.830 40 D CB 0.039 40.868 40.800 0.048 0.000 0.959 40 D HN 0.453 nan 8.370 nan 0.000 0.452 41 S N -0.065 115.686 115.700 0.085 0.000 2.383 41 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 41 S C 1.729 176.387 174.600 0.097 0.000 1.026 41 S CA 0.419 58.666 58.200 0.078 0.000 0.981 41 S CB -0.569 62.663 63.200 0.055 0.000 0.818 41 S HN 0.340 nan 8.310 nan 0.000 0.472 42 F N 2.474 122.424 119.950 -0.000 0.000 2.095 42 F HA -0.085 4.442 4.527 0.000 0.000 0.298 42 F C 1.891 177.761 175.800 0.117 0.000 1.104 42 F CA 1.266 59.274 58.000 0.014 0.000 1.232 42 F CB -0.357 38.603 39.000 -0.066 0.000 0.987 42 F HN 0.069 nan 8.300 nan 0.000 0.475 43 L N 0.078 121.479 121.223 0.296 0.000 2.079 43 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 43 L C 2.307 179.325 176.870 0.246 0.000 1.081 43 L CA 1.654 56.714 54.840 0.367 0.000 0.752 43 L CB -0.647 41.675 42.059 0.438 0.000 0.896 43 L HN 0.125 nan 8.230 nan 0.000 0.433 44 K N -0.635 119.841 120.400 0.127 0.000 2.116 44 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 44 K C 2.053 178.660 176.600 0.011 0.000 1.052 44 K CA 0.847 57.172 56.287 0.064 0.000 0.952 44 K CB -0.184 32.344 32.500 0.047 0.000 0.729 44 K HN 0.056 nan 8.250 nan 0.000 0.446 45 V N 2.542 122.432 119.914 -0.039 0.000 2.317 45 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 45 V C 2.023 178.072 176.094 -0.076 0.000 1.065 45 V CA 1.980 64.225 62.300 -0.093 0.000 1.049 45 V CB -0.526 31.174 31.823 -0.205 0.000 0.651 45 V HN 0.365 nan 8.190 nan 0.000 0.450 46 E N -0.175 119.987 120.200 -0.064 0.000 2.112 46 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 46 E C 2.258 178.894 176.600 0.059 0.000 0.979 46 E CA 0.811 57.227 56.400 0.028 0.000 0.814 46 E CB -0.191 29.599 29.700 0.150 0.000 0.762 46 E HN 0.495 nan 8.360 nan 0.000 0.460 47 L N 1.065 122.324 121.223 0.060 0.000 2.042 47 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 47 L C 2.445 179.289 176.870 -0.044 0.000 1.076 47 L CA 1.251 56.059 54.840 -0.054 0.000 0.749 47 L CB -0.244 41.757 42.059 -0.096 0.000 0.893 47 L HN 0.060 nan 8.230 nan 0.000 0.432 48 E N -0.085 120.103 120.200 -0.021 0.000 2.072 48 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 48 E C 1.932 178.527 176.600 -0.008 0.000 0.985 48 E CA 0.747 57.137 56.400 -0.017 0.000 0.801 48 E CB -0.207 29.486 29.700 -0.011 0.000 0.750 48 E HN 0.211 nan 8.360 nan 0.000 0.452 49 L N 1.194 122.416 121.223 -0.001 0.000 2.042 49 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 49 L C 1.469 178.348 176.870 0.015 0.000 1.076 49 L CA 1.930 56.776 54.840 0.011 0.000 0.749 49 L CB -0.694 41.375 42.059 0.017 0.000 0.893 49 L HN 0.177 nan 8.230 nan 0.000 0.432 50 N N -0.976 117.727 118.700 0.005 0.000 2.061 50 N HA -0.258 4.482 4.740 -0.000 0.000 0.193 50 N C 1.845 177.355 175.510 -0.000 0.000 1.030 50 N CA 1.434 54.484 53.050 -0.001 0.000 0.856 50 N CB -0.232 38.233 38.487 -0.037 0.000 1.023 50 N HN 0.264 nan 8.380 nan 0.000 0.424 51 L N 1.777 122.991 121.223 -0.015 0.000 1.956 51 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 51 L C 2.149 179.022 176.870 0.005 0.000 1.073 51 L CA 1.800 56.633 54.840 -0.011 0.000 0.762 51 L CB -0.325 41.723 42.059 -0.018 0.000 0.889 51 L HN 0.098 nan 8.230 nan 0.000 0.433 52 K N -0.733 119.672 120.400 0.009 0.000 2.074 52 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 52 K C 2.030 178.648 176.600 0.029 0.000 1.048 52 K CA 1.534 57.830 56.287 0.015 0.000 0.926 52 K CB -0.439 32.071 32.500 0.017 0.000 0.713 52 K HN 0.271 nan 8.250 nan 0.000 0.444 53 L N 1.227 122.481 121.223 0.052 0.000 2.046 53 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 53 L C 2.601 179.530 176.870 0.099 0.000 1.077 53 L CA 1.450 56.349 54.840 0.098 0.000 0.747 53 L CB -0.825 41.310 42.059 0.127 0.000 0.896 53 L HN 0.274 nan 8.230 nan 0.000 0.432 54 S N -0.356 115.385 115.700 0.068 0.000 2.440 54 S HA -0.181 4.289 4.470 -0.000 0.000 0.240 54 S C 1.540 176.164 174.600 0.040 0.000 1.014 54 S CA 1.414 59.652 58.200 0.063 0.000 0.980 54 S CB -0.583 62.636 63.200 0.033 0.000 0.775 54 S HN 0.440 nan 8.310 nan 0.000 0.499 55 N N 1.166 119.874 118.700 0.014 0.000 2.461 55 N HA 0.276 5.016 4.740 -0.000 0.000 0.188 55 N C -0.151 175.318 175.510 -0.069 0.000 1.134 55 N CA 0.230 53.269 53.050 -0.019 0.000 0.878 55 N CB -0.250 38.225 38.487 -0.021 0.000 0.972 55 N HN 0.515 nan 8.380 nan 0.000 0.456 56 L N 0.391 121.546 121.223 -0.112 0.000 2.325 56 L HA 0.372 4.712 4.340 -0.000 0.000 0.279 56 L C 0.051 176.654 176.870 -0.444 0.000 1.054 56 L CA -0.648 53.992 54.840 -0.333 0.000 0.804 56 L CB 1.950 43.683 42.059 -0.544 0.000 1.200 56 L HN -0.249 nan 8.230 nan 0.000 0.436 57 V N 3.125 122.784 119.914 -0.426 0.000 2.472 57 V HA 0.436 4.556 4.120 -0.000 0.000 0.290 57 V C -0.374 175.428 176.094 -0.487 0.000 1.037 57 V CA -0.238 61.879 62.300 -0.304 0.000 0.908 57 V CB 1.625 33.371 31.823 -0.130 0.000 0.985 57 V HN 0.376 nan 8.190 nan 0.000 0.454 58 F N 3.569 123.537 119.950 0.030 0.000 2.497 58 F HA 0.733 5.260 4.527 -0.000 0.000 0.331 58 F C 0.280 176.076 175.800 -0.007 0.000 1.060 58 F CA -0.547 57.462 58.000 0.015 0.000 0.989 58 F CB 1.713 40.751 39.000 0.064 0.000 1.245 58 F HN 0.338 nan 8.300 nan 0.000 0.486 59 Q N 0.178 120.084 119.800 0.178 0.000 2.456 59 Q HA 0.427 4.767 4.340 -0.000 0.000 0.284 59 Q C -0.925 175.107 176.000 0.053 0.000 1.061 59 Q CA -0.242 55.606 55.803 0.075 0.000 0.799 59 Q CB 2.271 31.027 28.738 0.030 0.000 1.445 59 Q HN 0.693 nan 8.270 nan 0.000 0.411 60 D N -1.274 119.144 120.400 0.031 0.000 3.801 60 D HA -0.183 4.457 4.640 -0.000 0.000 0.209 60 D C -1.541 174.770 176.300 0.019 0.000 0.969 60 D CA 1.808 55.818 54.000 0.016 0.000 2.271 60 D CB -1.332 39.473 40.800 0.009 0.000 1.187 60 D HN 0.587 nan 8.370 nan 0.000 0.487 61 P HA 0.260 nan 4.420 nan 0.000 0.226 61 P C -0.014 177.312 177.300 0.044 0.000 1.160 61 P CA 0.340 63.461 63.100 0.036 0.000 0.837 61 P CB 0.343 32.052 31.700 0.014 0.000 0.860 62 V N 2.934 122.866 119.914 0.029 0.000 2.421 62 V HA 0.020 4.140 4.120 -0.000 0.000 0.271 62 V C 1.387 177.505 176.094 0.040 0.000 1.031 62 V CA 0.569 62.894 62.300 0.043 0.000 1.032 62 V CB 0.698 32.551 31.823 0.050 0.000 1.009 62 V HN 0.112 nan 8.190 nan 0.000 0.477 63 Q N 3.572 123.382 119.800 0.017 0.000 2.350 63 Q HA 0.256 4.596 4.340 -0.000 0.000 0.225 63 Q C -0.667 175.019 176.000 -0.524 0.000 0.878 63 Q CA 0.623 56.312 55.803 -0.190 0.000 0.935 63 Q CB 0.996 29.647 28.738 -0.145 0.000 1.099 63 Q HN 0.796 nan 8.270 nan 0.000 0.527 64 Y N -1.157 119.142 120.300 -0.002 0.000 2.544 64 Y HA 0.542 5.092 4.550 0.000 0.000 0.342 64 Y C -0.565 175.246 175.900 -0.149 0.000 1.062 64 Y CA -1.072 57.002 58.100 -0.043 0.000 1.023 64 Y CB 2.123 40.509 38.460 -0.124 0.000 1.308 64 Y HN -0.419 nan 8.280 nan 0.000 0.457 65 V N 2.996 122.934 119.914 0.039 0.000 2.733 65 V HA 0.441 4.561 4.120 -0.000 0.000 0.306 65 V C -1.457 174.694 176.094 0.095 0.000 1.084 65 V CA -1.102 61.108 62.300 -0.150 0.000 0.905 65 V CB 1.683 33.429 31.823 -0.128 0.000 1.010 65 V HN 0.534 nan 8.190 nan 0.000 0.424 66 Y N 2.433 122.634 120.300 -0.166 0.000 2.509 66 Y HA 0.638 5.188 4.550 -0.000 0.000 0.341 66 Y C 0.300 176.168 175.900 -0.052 0.000 1.038 66 Y CA -2.189 55.901 58.100 -0.018 0.000 1.089 66 Y CB 1.787 40.275 38.460 0.046 0.000 1.241 66 Y HN 0.646 nan 8.280 nan 0.000 0.468 67 N N 3.329 122.194 118.700 0.274 0.000 2.607 67 N HA 0.280 5.020 4.740 -0.000 0.000 0.271 67 N C -2.512 172.920 175.510 -0.131 0.000 1.142 67 N CA -2.245 50.839 53.050 0.056 0.000 0.810 67 N CB 1.802 40.312 38.487 0.038 0.000 1.306 67 N HN 0.142 nan 8.380 nan 0.000 0.536 68 P HA -0.075 nan 4.420 nan 0.000 0.225 68 P C 1.349 178.325 177.300 -0.539 0.000 1.148 68 P CA 0.628 63.129 63.100 -0.998 0.000 0.779 68 P CB 0.562 31.976 31.700 -0.477 0.000 0.780 69 L N -1.321 119.750 121.223 -0.253 0.000 2.265 69 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 69 L C 2.425 179.370 176.870 0.125 0.000 1.117 69 L CA 0.959 55.788 54.840 -0.018 0.000 0.782 69 L CB -0.749 41.312 42.059 0.004 0.000 0.914 69 L HN -0.098 nan 8.230 nan 0.000 0.441 70 V N -0.646 119.254 119.914 -0.023 0.000 2.326 70 V HA -0.243 3.877 4.120 -0.000 0.000 0.237 70 V C 2.068 178.218 176.094 0.092 0.000 1.044 70 V CA 1.474 63.800 62.300 0.044 0.000 1.035 70 V CB -0.688 31.177 31.823 0.069 0.000 0.675 70 V HN 0.455 nan 8.190 nan 0.000 0.470 71 Y N 0.684 121.032 120.300 0.080 0.000 2.583 71 Y HA 0.559 5.108 4.550 -0.000 0.000 0.293 71 Y C 1.367 177.330 175.900 0.105 0.000 1.157 71 Y CA 0.566 58.707 58.100 0.068 0.000 1.315 71 Y CB -0.476 37.981 38.460 -0.005 0.000 1.021 71 Y HN 0.097 nan 8.280 nan 0.000 0.536 72 A N 0.287 122.971 122.820 -0.227 0.000 2.631 72 A HA 0.138 4.458 4.320 -0.000 0.000 0.294 72 A C 1.262 178.895 177.584 0.081 0.000 1.156 72 A CA -0.542 51.477 52.037 -0.030 0.000 0.963 72 A CB -1.259 17.651 19.000 -0.150 0.000 1.202 72 A HN 0.751 nan 8.150 nan 0.000 0.523 73 W N 0.788 122.085 121.300 -0.005 0.000 2.321 73 W HA -0.312 4.349 4.660 0.001 0.000 0.306 73 W C 1.722 178.331 176.519 0.150 0.000 1.217 73 W CA 2.264 59.656 57.345 0.078 0.000 1.257 73 W CB -0.240 29.253 29.460 0.054 0.000 1.145 73 W HN 0.501 nan 8.180 nan 0.000 0.509 74 A N 1.602 124.491 122.820 0.115 0.000 1.845 74 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 74 A C -0.028 177.535 177.584 -0.036 0.000 1.195 74 A CA 2.116 54.168 52.037 0.025 0.000 0.616 74 A CB -2.306 16.759 19.000 0.109 0.000 0.832 74 A HN 0.249 nan 8.150 nan 0.000 0.443 75 P HA -0.203 nan 4.420 nan 0.000 0.218 75 P C 1.224 178.548 177.300 0.041 0.000 1.148 75 P CA 1.895 65.047 63.100 0.086 0.000 0.822 75 P CB -0.287 31.583 31.700 0.284 0.000 0.784 76 H N 1.039 120.053 119.070 -0.093 0.000 2.293 76 H HA -0.152 4.404 4.556 -0.000 0.000 0.300 76 H C 2.278 177.480 175.328 -0.211 0.000 1.082 76 H CA 2.461 58.434 56.048 -0.125 0.000 1.308 76 H CB -0.446 29.184 29.762 -0.219 0.000 1.375 76 H HN 0.137 nan 8.280 nan 0.000 0.495 77 E N -0.213 119.650 120.200 -0.562 0.000 2.153 77 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 77 E C 2.147 178.588 176.600 -0.265 0.000 0.988 77 E CA 1.302 57.374 56.400 -0.547 0.000 0.811 77 E CB -0.315 29.006 29.700 -0.630 0.000 0.746 77 E HN 0.678 nan 8.360 nan 0.000 0.466 78 N N -1.007 117.587 118.700 -0.176 0.000 2.166 78 N HA -0.238 4.502 4.740 -0.000 0.000 0.186 78 N C 1.993 177.444 175.510 -0.098 0.000 1.019 78 N CA 1.118 54.097 53.050 -0.117 0.000 0.856 78 N CB -0.195 38.246 38.487 -0.078 0.000 0.993 78 N HN 0.323 nan 8.380 nan 0.000 0.426 79 Y N 1.372 121.561 120.300 -0.186 0.000 2.200 79 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 79 Y C 2.056 177.894 175.900 -0.102 0.000 1.137 79 Y CA 1.155 59.188 58.100 -0.111 0.000 1.163 79 Y CB -0.505 37.889 38.460 -0.110 0.000 0.988 79 Y HN -0.133 nan 8.280 nan 0.000 0.518 80 V N 1.271 120.954 119.914 -0.385 0.000 2.295 80 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 80 V C 2.444 178.339 176.094 -0.331 0.000 1.049 80 V CA 2.184 64.252 62.300 -0.387 0.000 1.024 80 V CB -0.789 30.933 31.823 -0.167 0.000 0.648 80 V HN 0.446 nan 8.190 nan 0.000 0.447 81 Q N -0.102 119.545 119.800 -0.254 0.000 2.084 81 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 81 Q C 2.343 178.159 176.000 -0.307 0.000 0.978 81 Q CA 2.232 57.898 55.803 -0.227 0.000 0.844 81 Q CB -0.803 27.835 28.738 -0.167 0.000 0.898 81 Q HN 0.650 nan 8.270 nan 0.000 0.426 82 T N -0.140 114.168 114.554 -0.410 0.000 2.857 82 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 82 T C 0.853 175.071 174.700 -0.803 0.000 1.048 82 T CA 1.089 62.796 62.100 -0.655 0.000 1.139 82 T CB -0.129 68.212 68.868 -0.880 0.000 0.874 82 T HN 0.266 nan 8.240 nan 0.000 0.455 83 Y N -0.832 119.170 120.300 -0.496 0.000 2.557 83 Y HA 0.417 4.967 4.550 -0.000 0.000 0.247 83 Y C 1.081 176.718 175.900 -0.439 0.000 1.164 83 Y CA -1.171 56.551 58.100 -0.629 0.000 1.218 83 Y CB 0.381 37.963 38.460 -1.463 0.000 1.210 83 Y HN 0.167 nan 8.280 nan 0.000 0.529 84 C N 1.173 120.251 119.300 -0.370 0.000 2.975 84 C HA 0.317 4.777 4.460 -0.000 0.000 0.234 84 C C 1.340 176.128 174.990 -0.338 0.000 1.666 84 C CA -0.387 58.308 59.018 -0.537 0.000 1.534 84 C CB -1.418 25.726 27.740 -0.993 0.000 2.642 84 C HN 0.433 nan 8.230 nan 0.000 0.516 85 K N 0.745 121.007 120.400 -0.231 0.000 2.361 85 K HA 0.084 4.404 4.320 -0.000 0.000 0.196 85 K C 0.849 177.373 176.600 -0.128 0.000 1.039 85 K CA 0.560 56.746 56.287 -0.168 0.000 1.001 85 K CB 0.305 32.716 32.500 -0.148 0.000 0.795 85 K HN 0.587 nan 8.250 nan 0.000 0.495 86 S N -0.132 115.491 115.700 -0.129 0.000 2.638 86 S HA 0.335 4.805 4.470 -0.000 0.000 0.274 86 S C -1.201 173.346 174.600 -0.088 0.000 1.157 86 S CA -1.071 57.077 58.200 -0.087 0.000 0.826 86 S CB 1.508 64.669 63.200 -0.065 0.000 1.139 86 S HN -0.195 nan 8.310 nan 0.000 0.474 87 K N 1.619 121.991 120.400 -0.047 0.000 2.258 87 K HA 0.421 4.741 4.320 -0.000 0.000 0.264 87 K C -0.439 176.163 176.600 0.003 0.000 1.007 87 K CA -0.316 55.953 56.287 -0.030 0.000 0.941 87 K CB 0.411 32.907 32.500 -0.006 0.000 0.966 87 K HN 0.521 nan 8.250 nan 0.000 0.480 88 K N 2.266 122.671 120.400 0.009 0.000 2.259 88 K HA 0.200 4.520 4.320 -0.000 0.000 0.252 88 K C 0.957 177.591 176.600 0.056 0.000 0.936 88 K CA -0.611 55.706 56.287 0.049 0.000 0.810 88 K CB 1.548 34.073 32.500 0.042 0.000 1.143 88 K HN 0.420 nan 8.250 nan 0.000 0.427 89 E N 0.497 120.740 120.200 0.072 0.000 2.051 89 E HA -0.003 4.347 4.350 -0.000 0.000 0.189 89 E C 0.341 176.932 176.600 -0.016 0.000 0.979 89 E CA 0.890 57.292 56.400 0.004 0.000 0.803 89 E CB 0.263 29.929 29.700 -0.057 0.000 0.761 89 E HN 0.190 nan 8.360 nan 0.000 0.451 90 V N 1.988 121.889 119.914 -0.022 0.000 2.656 90 V HA 0.264 4.384 4.120 -0.000 0.000 0.307 90 V C -0.719 175.355 176.094 -0.033 0.000 1.051 90 V CA -0.918 61.323 62.300 -0.098 0.000 0.893 90 V CB 2.106 33.803 31.823 -0.211 0.000 0.999 90 V HN 0.066 nan 8.190 nan 0.000 0.426 91 L N 5.044 126.257 121.223 -0.016 0.000 2.305 91 L HA 0.660 5.000 4.340 -0.000 0.000 0.284 91 L C -0.892 175.993 176.870 0.026 0.000 1.013 91 L CA 0.078 55.007 54.840 0.148 0.000 0.819 91 L CB 0.830 43.026 42.059 0.227 0.000 1.227 91 L HN 0.453 nan 8.230 nan 0.000 0.417 92 F N 5.753 125.852 119.950 0.248 0.000 2.427 92 F HA 0.478 5.005 4.527 -0.000 0.000 0.352 92 F C -0.069 175.919 175.800 0.312 0.000 1.100 92 F CA -0.124 58.039 58.000 0.273 0.000 1.191 92 F CB 1.246 40.442 39.000 0.327 0.000 1.128 92 F HN 0.363 nan 8.300 nan 0.000 0.533 93 L N 3.375 124.873 121.223 0.460 0.000 2.376 93 L HA 0.764 5.104 4.340 -0.000 0.000 0.275 93 L C -0.167 176.959 176.870 0.426 0.000 0.987 93 L CA -0.042 55.044 54.840 0.410 0.000 0.828 93 L CB 1.403 43.660 42.059 0.330 0.000 1.249 93 L HN 0.616 nan 8.230 nan 0.000 0.409 94 G N 3.307 112.355 108.800 0.414 0.000 2.521 94 G HA2 0.367 4.327 3.960 -0.000 0.000 0.323 94 G HA3 0.367 4.327 3.960 -0.000 0.000 0.323 94 G C 0.301 175.339 174.900 0.230 0.000 1.211 94 G CA -0.356 44.949 45.100 0.342 0.000 0.979 94 G HN 0.761 nan 8.290 nan 0.000 0.490 95 M N 0.041 119.753 119.600 0.186 0.000 2.073 95 M HA 0.088 4.568 4.480 -0.000 0.000 0.259 95 M C 0.508 176.849 176.300 0.068 0.000 1.079 95 M CA 1.250 56.653 55.300 0.171 0.000 1.131 95 M CB 0.014 32.597 32.600 -0.029 0.000 1.316 95 M HN 0.720 nan 8.290 nan 0.000 0.415 96 N N -0.741 117.919 118.700 -0.068 0.000 2.927 96 N HA 0.386 5.126 4.740 -0.000 0.000 0.248 96 N C -3.219 172.175 175.510 -0.194 0.000 1.443 96 N CA -1.461 51.525 53.050 -0.106 0.000 0.870 96 N CB 0.256 38.699 38.487 -0.074 0.000 1.444 96 N HN -0.079 nan 8.380 nan 0.000 0.519 97 P HA 0.197 nan 4.420 nan 0.000 0.266 97 P C 0.279 177.455 177.300 -0.208 0.000 1.195 97 P CA 0.242 63.218 63.100 -0.207 0.000 0.768 97 P CB 0.180 31.787 31.700 -0.155 0.000 0.838 98 G N 2.887 111.561 108.800 -0.209 0.000 2.477 98 G HA2 0.334 4.294 3.960 -0.000 0.000 0.304 98 G HA3 0.334 4.294 3.960 -0.000 0.000 0.304 98 G C -1.608 173.164 174.900 -0.214 0.000 1.175 98 G CA -1.378 43.612 45.100 -0.183 0.000 0.907 98 G HN 0.284 nan 8.290 nan 0.000 0.509 99 P HA -0.083 nan 4.420 nan 0.000 0.219 99 P C 0.485 177.347 177.300 -0.730 0.000 1.146 99 P CA 1.200 63.956 63.100 -0.573 0.000 0.808 99 P CB 0.112 31.300 31.700 -0.853 0.000 0.779 100 F N -1.536 118.392 119.950 -0.036 0.000 2.682 100 F HA 0.400 4.927 4.527 0.000 0.000 0.308 100 F C 2.018 177.789 175.800 -0.047 0.000 1.093 100 F CA -0.050 57.928 58.000 -0.036 0.000 1.244 100 F CB -0.144 38.837 39.000 -0.032 0.000 1.052 100 F HN -0.080 nan 8.300 nan 0.000 0.573 101 G N -0.205 108.617 108.800 0.036 0.000 2.583 101 G HA2 0.058 4.018 3.960 -0.000 0.000 0.214 101 G HA3 0.058 4.018 3.960 -0.000 0.000 0.214 101 G C 1.277 176.148 174.900 -0.048 0.000 2.072 101 G CA 0.151 45.258 45.100 0.011 0.000 0.745 101 G HN 0.115 nan 8.290 nan 0.000 0.762 102 M N 1.091 120.643 119.600 -0.080 0.000 2.296 102 M HA 0.145 4.625 4.480 -0.000 0.000 0.265 102 M C 2.424 178.681 176.300 -0.072 0.000 1.064 102 M CA 1.631 56.879 55.300 -0.086 0.000 1.109 102 M CB -0.025 32.508 32.600 -0.111 0.000 1.396 102 M HN 0.296 nan 8.290 nan 0.000 0.430 103 A N 0.015 122.803 122.820 -0.054 0.000 2.186 103 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 103 A C 1.879 179.521 177.584 0.097 0.000 1.159 103 A CA 1.343 53.405 52.037 0.042 0.000 0.680 103 A CB -0.341 18.687 19.000 0.047 0.000 0.787 103 A HN 0.667 nan 8.150 nan 0.000 0.467 104 Q N -1.679 118.120 119.800 -0.002 0.000 2.423 104 Q HA 0.004 4.344 4.340 -0.000 0.000 0.231 104 Q C 1.705 177.619 176.000 -0.143 0.000 0.894 104 Q CA 1.657 57.443 55.803 -0.028 0.000 0.938 104 Q CB -0.080 28.609 28.738 -0.081 0.000 1.079 104 Q HN 0.776 nan 8.270 nan 0.000 0.552 105 T N -3.799 110.628 114.554 -0.211 0.000 3.044 105 T HA 0.353 4.703 4.350 -0.000 0.000 0.260 105 T C 1.324 175.988 174.700 -0.061 0.000 1.019 105 T CA 0.601 62.512 62.100 -0.315 0.000 0.921 105 T CB 0.692 69.313 68.868 -0.412 0.000 1.053 105 T HN 0.339 nan 8.240 nan 0.000 0.533 106 G N 1.083 109.852 108.800 -0.053 0.000 2.175 106 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.265 106 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.265 106 G C 0.047 175.001 174.900 0.090 0.000 0.979 106 G CA 0.319 45.422 45.100 0.005 0.000 0.663 106 G HN 0.762 nan 8.290 nan 0.000 0.533 107 V N 1.088 120.985 119.914 -0.028 0.000 2.513 107 V HA 0.513 4.633 4.120 -0.000 0.000 0.299 107 V C -1.882 174.149 176.094 -0.105 0.000 1.035 107 V CA -1.941 60.236 62.300 -0.204 0.000 0.889 107 V CB 2.113 33.761 31.823 -0.291 0.000 0.988 107 V HN 0.023 nan 8.190 nan 0.000 0.440 108 P HA 0.192 nan 4.420 nan 0.000 0.266 108 P C -0.070 177.323 177.300 0.156 0.000 1.195 108 P CA 0.206 63.315 63.100 0.015 0.000 0.768 108 P CB -0.009 31.776 31.700 0.142 0.000 0.838 109 F N 0.145 120.023 119.950 -0.121 0.000 3.090 109 F HA -0.190 4.337 4.527 0.000 0.000 0.282 109 F C 1.303 177.212 175.800 0.183 0.000 0.923 109 F CA 1.005 58.900 58.000 -0.175 0.000 0.977 109 F CB -2.172 36.344 39.000 -0.805 0.000 0.954 109 F HN 0.444 nan 8.300 nan 0.000 0.695 110 G N 1.122 110.036 108.800 0.189 0.000 3.717 110 G HA2 0.149 4.109 3.960 -0.000 0.000 0.258 110 G HA3 0.149 4.109 3.960 -0.000 0.000 0.258 110 G C 0.254 175.215 174.900 0.103 0.000 1.088 110 G CA -0.293 44.904 45.100 0.162 0.000 1.737 110 G HN 0.377 nan 8.290 nan 0.000 0.648 111 E N 0.699 121.020 120.200 0.201 0.000 2.465 111 E HA -0.020 4.330 4.350 -0.000 0.000 0.260 111 E C 1.285 177.961 176.600 0.126 0.000 0.980 111 E CA -0.247 56.249 56.400 0.160 0.000 0.927 111 E CB 1.181 31.012 29.700 0.219 0.000 0.934 111 E HN 0.071 nan 8.360 nan 0.000 0.459 112 V N 5.267 125.213 119.914 0.054 0.000 2.287 112 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 112 V C 2.000 178.172 176.094 0.130 0.000 1.053 112 V CA 2.056 64.367 62.300 0.018 0.000 1.027 112 V CB -0.562 31.246 31.823 -0.024 0.000 0.646 112 V HN 0.618 nan 8.190 nan 0.000 0.447 113 N N -0.510 118.272 118.700 0.137 0.000 2.142 113 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 113 N C 1.803 177.352 175.510 0.065 0.000 1.023 113 N CA 1.636 54.739 53.050 0.088 0.000 0.852 113 N CB -0.393 38.104 38.487 0.016 0.000 0.998 113 N HN 0.615 nan 8.380 nan 0.000 0.424 114 H N 0.206 119.347 119.070 0.119 0.000 2.363 114 H HA 0.069 4.625 4.556 -0.000 0.000 0.301 114 H C 2.152 177.528 175.328 0.079 0.000 1.074 114 H CA 0.870 57.001 56.048 0.139 0.000 1.354 114 H CB -0.195 29.674 29.762 0.178 0.000 1.397 114 H HN -0.091 nan 8.280 nan 0.000 0.516 115 V N 0.688 120.681 119.914 0.131 0.000 2.287 115 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 115 V C 2.524 178.712 176.094 0.157 0.000 1.053 115 V CA 2.234 64.568 62.300 0.057 0.000 1.027 115 V CB -0.422 31.463 31.823 0.104 0.000 0.646 115 V HN 0.373 nan 8.190 nan 0.000 0.447 116 R N -0.223 120.422 120.500 0.242 0.000 2.062 116 R HA -0.142 4.198 4.340 -0.000 0.000 0.229 116 R C 1.861 178.215 176.300 0.091 0.000 1.128 116 R CA 1.967 58.179 56.100 0.185 0.000 0.960 116 R CB -0.176 30.264 30.300 0.233 0.000 0.855 116 R HN 0.518 nan 8.270 nan 0.000 0.432 117 D N -1.617 118.842 120.400 0.098 0.000 2.338 117 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 117 D C 1.212 177.602 176.300 0.149 0.000 0.997 117 D CA 0.507 54.558 54.000 0.084 0.000 0.880 117 D CB -0.028 40.802 40.800 0.051 0.000 0.980 117 D HN 0.294 nan 8.370 nan 0.000 0.509 118 W N 0.994 122.280 121.300 -0.023 0.000 2.780 118 W HA 0.228 4.888 4.660 -0.000 0.000 0.272 118 W C 1.751 178.276 176.519 0.011 0.000 1.116 118 W CA 0.298 57.643 57.345 -0.001 0.000 1.600 118 W CB -0.351 29.123 29.460 0.024 0.000 1.086 118 W HN -0.237 nan 8.180 nan 0.000 0.584 119 L N 0.734 121.897 121.223 -0.099 0.000 2.217 119 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 119 L C 0.689 177.559 176.870 0.000 0.000 1.107 119 L CA 1.156 55.873 54.840 -0.204 0.000 0.783 119 L CB -0.812 41.121 42.059 -0.210 0.000 0.919 119 L HN 0.080 nan 8.230 nan 0.000 0.442 120 Q N 0.717 120.518 119.800 0.001 0.000 2.459 120 Q HA -0.172 4.168 4.340 -0.000 0.000 0.314 120 Q C -0.852 175.136 176.000 -0.020 0.000 1.432 120 Q CA 0.344 56.141 55.803 -0.010 0.000 0.823 120 Q CB -1.084 27.635 28.738 -0.032 0.000 1.124 120 Q HN 0.286 nan 8.270 nan 0.000 0.392 121 I N 1.834 122.402 120.570 -0.003 0.000 2.466 121 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 121 I C 0.514 176.531 176.117 -0.167 0.000 1.026 121 I CA -0.102 61.190 61.300 -0.013 0.000 1.078 121 I CB 1.704 39.767 38.000 0.106 0.000 1.249 121 I HN 0.288 nan 8.210 nan 0.000 0.429 122 E N 4.916 124.941 120.200 -0.292 0.000 2.369 122 E HA 0.886 5.236 4.350 -0.000 0.000 0.270 122 E C -0.784 175.626 176.600 -0.316 0.000 0.909 122 E CA -1.060 54.967 56.400 -0.623 0.000 0.775 122 E CB 3.381 32.807 29.700 -0.458 0.000 1.270 122 E HN 0.638 nan 8.360 nan 0.000 0.445 123 G N 1.227 109.862 108.800 -0.275 0.000 2.489 123 G HA2 0.393 4.353 3.960 -0.000 0.000 0.291 123 G HA3 0.393 4.353 3.960 -0.000 0.000 0.291 123 G C -3.066 171.856 174.900 0.036 0.000 1.487 123 G CA -0.983 44.089 45.100 -0.046 0.000 0.795 123 G HN 0.451 nan 8.290 nan 0.000 0.513 124 P HA 0.482 nan 4.420 nan 0.000 0.271 124 P C -0.687 176.720 177.300 0.178 0.000 1.218 124 P CA -0.224 62.946 63.100 0.116 0.000 0.780 124 P CB 1.788 33.541 31.700 0.088 0.000 0.901 125 V N 1.797 121.830 119.914 0.198 0.000 2.638 125 V HA 0.324 4.444 4.120 -0.000 0.000 0.306 125 V C 0.811 177.013 176.094 0.180 0.000 1.052 125 V CA -0.274 62.164 62.300 0.229 0.000 0.885 125 V CB 1.679 33.655 31.823 0.255 0.000 0.999 125 V HN 0.875 nan 8.190 nan 0.000 0.424 126 S N 4.942 120.761 115.700 0.199 0.000 2.505 126 S HA 0.685 5.155 4.470 -0.000 0.000 0.273 126 S C -0.397 174.189 174.600 -0.023 0.000 1.123 126 S CA -0.571 57.688 58.200 0.099 0.000 1.006 126 S CB 1.483 64.740 63.200 0.096 0.000 1.243 126 S HN 0.752 nan 8.310 nan 0.000 0.498 127 K N 0.076 120.385 120.400 -0.151 0.000 2.340 127 K HA 0.639 4.959 4.320 -0.000 0.000 0.244 127 K C -3.381 172.902 176.600 -0.528 0.000 0.973 127 K CA -2.111 53.927 56.287 -0.414 0.000 0.828 127 K CB 0.651 32.992 32.500 -0.265 0.000 1.226 127 K HN 0.316 nan 8.250 nan 0.000 0.437 128 P HA 0.111 nan 4.420 nan 0.000 0.269 128 P C 0.453 177.615 177.300 -0.229 0.000 1.215 128 P CA -0.132 62.651 63.100 -0.529 0.000 0.780 128 P CB 0.592 31.781 31.700 -0.851 0.000 0.898 129 E N -0.108 120.049 120.200 -0.072 0.000 2.108 129 E HA -0.139 4.211 4.350 -0.000 0.000 0.203 129 E C -0.043 176.562 176.600 0.009 0.000 1.022 129 E CA 1.264 57.657 56.400 -0.011 0.000 0.823 129 E CB -0.022 29.700 29.700 0.036 0.000 0.744 129 E HN 0.192 nan 8.360 nan 0.000 0.456 130 V N 1.282 121.237 119.914 0.069 0.000 2.443 130 V HA 0.259 4.379 4.120 -0.000 0.000 0.293 130 V C -0.718 175.539 176.094 0.271 0.000 1.021 130 V CA -0.562 61.838 62.300 0.166 0.000 0.848 130 V CB 1.658 33.610 31.823 0.215 0.000 0.998 130 V HN 0.034 nan 8.190 nan 0.000 0.424 131 E N 2.859 123.148 120.200 0.148 0.000 2.171 131 E HA 0.361 4.711 4.350 -0.000 0.000 0.271 131 E C -0.757 175.858 176.600 0.026 0.000 0.916 131 E CA -0.757 55.702 56.400 0.098 0.000 0.774 131 E CB 1.707 31.356 29.700 -0.085 0.000 1.128 131 E HN 0.710 nan 8.360 nan 0.000 0.403 132 H N 4.696 123.590 119.070 -0.293 0.000 2.764 132 H HA 0.056 4.612 4.556 -0.000 0.000 0.341 132 H C -1.705 173.507 175.328 -0.193 0.000 1.072 132 H CA -1.656 54.087 56.048 -0.510 0.000 1.444 132 H CB 1.249 30.470 29.762 -0.902 0.000 1.458 132 H HN 0.332 nan 8.280 nan 0.000 0.572 133 P HA -0.104 nan 4.420 nan 0.000 0.221 133 P C 0.627 177.927 177.300 -0.000 0.000 1.145 133 P CA 1.396 64.387 63.100 -0.181 0.000 0.795 133 P CB 0.249 31.808 31.700 -0.234 0.000 0.775 134 K N -0.943 119.591 120.400 0.223 0.000 2.444 134 K HA 0.102 4.422 4.320 -0.000 0.000 0.193 134 K C 0.669 177.348 176.600 0.132 0.000 1.024 134 K CA 0.200 56.599 56.287 0.187 0.000 1.077 134 K CB 0.371 32.977 32.500 0.177 0.000 0.833 134 K HN -0.050 nan 8.250 nan 0.000 0.517 135 R N 1.383 121.951 120.500 0.113 0.000 2.795 135 R HA 0.188 4.528 4.340 -0.000 0.000 0.320 135 R C -0.600 175.749 176.300 0.082 0.000 1.223 135 R CA -0.218 55.911 56.100 0.048 0.000 1.305 135 R CB 0.361 30.636 30.300 -0.042 0.000 1.318 135 R HN 0.029 nan 8.270 nan 0.000 0.636 136 R N 0.767 121.292 120.500 0.042 0.000 2.543 136 R HA 0.281 4.621 4.340 -0.000 0.000 0.277 136 R C 0.404 176.676 176.300 -0.047 0.000 1.074 136 R CA -0.389 55.694 56.100 -0.028 0.000 1.076 136 R CB 1.005 31.295 30.300 -0.017 0.000 0.993 136 R HN -0.003 nan 8.270 nan 0.000 0.459 137 I N 3.853 124.330 120.570 -0.156 0.000 2.337 137 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 137 I C 1.317 177.392 176.117 -0.070 0.000 1.046 137 I CA 0.284 61.497 61.300 -0.145 0.000 1.324 137 I CB 0.846 38.628 38.000 -0.363 0.000 1.409 137 I HN 0.545 nan 8.210 nan 0.000 0.494 138 R N 3.439 123.936 120.500 -0.006 0.000 2.476 138 R HA 0.304 4.644 4.340 -0.000 0.000 0.276 138 R C 1.202 177.525 176.300 0.038 0.000 0.941 138 R CA 0.255 56.367 56.100 0.019 0.000 1.088 138 R CB 0.822 31.142 30.300 0.033 0.000 1.216 138 R HN 0.944 nan 8.270 nan 0.000 0.533 139 G N 1.687 110.500 108.800 0.021 0.000 2.591 139 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.298 139 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.298 139 G C 0.399 175.227 174.900 -0.120 0.000 1.195 139 G CA 0.500 45.602 45.100 0.003 0.000 0.989 139 G HN 0.255 nan 8.290 nan 0.000 0.551 140 F N 2.127 122.111 119.950 0.057 0.000 2.780 140 F HA 0.263 4.790 4.527 -0.000 0.000 0.299 140 F C 2.501 178.325 175.800 0.040 0.000 1.146 140 F CA 1.447 59.475 58.000 0.047 0.000 1.428 140 F CB 0.275 39.297 39.000 0.036 0.000 1.115 140 F HN 0.448 nan 8.300 nan 0.000 0.583 141 E N -0.945 119.347 120.200 0.153 0.000 2.479 141 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 141 E C 0.327 176.961 176.600 0.056 0.000 1.049 141 E CA -0.226 56.232 56.400 0.097 0.000 0.870 141 E CB 0.064 29.812 29.700 0.081 0.000 0.944 141 E HN 0.191 nan 8.360 nan 0.000 0.492 142 C N 2.913 122.235 119.300 0.036 0.000 2.638 142 C HA 0.075 4.535 4.460 -0.000 0.000 0.410 142 C C -0.877 174.126 174.990 0.022 0.000 1.404 142 C CA -1.500 57.541 59.018 0.039 0.000 1.651 142 C CB 0.272 28.045 27.740 0.054 0.000 2.495 142 C HN 0.283 nan 8.230 nan 0.000 0.606 143 P HA -0.013 nan 4.420 nan 0.000 0.231 143 P C 0.144 177.409 177.300 -0.059 0.000 1.168 143 P CA 0.892 63.980 63.100 -0.020 0.000 0.779 143 P CB 0.112 31.796 31.700 -0.027 0.000 0.844 144 Q N 0.039 119.774 119.800 -0.108 0.000 2.299 144 Q HA 0.386 4.726 4.340 -0.000 0.000 0.246 144 Q C -0.039 175.904 176.000 -0.095 0.000 0.935 144 Q CA -0.095 55.582 55.803 -0.210 0.000 0.887 144 Q CB 0.787 29.198 28.738 -0.544 0.000 1.223 144 Q HN -0.112 nan 8.270 nan 0.000 0.439 145 S N 1.972 117.622 115.700 -0.084 0.000 2.566 145 S HA 0.164 4.634 4.470 -0.000 0.000 0.324 145 S C -0.867 173.737 174.600 0.006 0.000 1.081 145 S CA -0.757 57.443 58.200 0.001 0.000 1.105 145 S CB 0.750 63.964 63.200 0.024 0.000 0.981 145 S HN 0.631 nan 8.310 nan 0.000 0.464 146 E N 4.268 124.509 120.200 0.068 0.000 2.351 146 E HA 0.106 4.456 4.350 -0.000 0.000 0.266 146 E C 0.828 177.453 176.600 0.041 0.000 1.031 146 E CA -0.335 56.119 56.400 0.090 0.000 0.911 146 E CB 0.729 30.504 29.700 0.124 0.000 0.986 146 E HN 0.608 nan 8.360 nan 0.000 0.446 147 V N 3.909 123.829 119.914 0.010 0.000 2.307 147 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 147 V C 2.176 178.215 176.094 -0.091 0.000 1.045 147 V CA 1.849 64.128 62.300 -0.036 0.000 1.024 147 V CB -0.485 31.314 31.823 -0.041 0.000 0.651 147 V HN 0.672 nan 8.190 nan 0.000 0.449 148 S N 0.651 116.306 115.700 -0.075 0.000 2.359 148 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 148 S C 2.095 176.637 174.600 -0.096 0.000 1.038 148 S CA 1.737 59.855 58.200 -0.136 0.000 1.051 148 S CB -0.908 62.282 63.200 -0.017 0.000 0.944 148 S HN 0.697 nan 8.310 nan 0.000 0.433 149 G N 0.964 109.785 108.800 0.035 0.000 2.418 149 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.217 149 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.217 149 G C 1.548 176.492 174.900 0.073 0.000 1.158 149 G CA 0.993 46.175 45.100 0.137 0.000 0.771 149 G HN 0.589 nan 8.290 nan 0.000 0.545 150 A N 0.727 123.546 122.820 -0.003 0.000 1.930 150 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 150 A C 2.432 179.853 177.584 -0.271 0.000 1.175 150 A CA 1.580 53.543 52.037 -0.123 0.000 0.627 150 A CB -0.368 18.657 19.000 0.042 0.000 0.815 150 A HN 0.359 nan 8.150 nan 0.000 0.443 151 R N -1.892 118.460 120.500 -0.247 0.000 2.080 151 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 151 R C 2.028 178.110 176.300 -0.363 0.000 1.137 151 R CA 1.730 57.629 56.100 -0.335 0.000 0.943 151 R CB -0.567 29.373 30.300 -0.600 0.000 0.846 151 R HN 0.583 nan 8.270 nan 0.000 0.431 152 F N -0.064 119.501 119.950 -0.643 0.000 2.046 152 F HA -0.247 4.280 4.527 0.000 0.000 0.297 152 F C 1.683 177.112 175.800 -0.617 0.000 1.123 152 F CA 1.681 59.266 58.000 -0.691 0.000 1.199 152 F CB -0.260 38.154 39.000 -0.977 0.000 0.972 152 F HN 0.034 nan 8.300 nan 0.000 0.474 153 W N -0.701 120.523 121.300 -0.127 0.000 2.467 153 W HA -0.037 4.623 4.660 -0.000 0.000 0.275 153 W C 2.880 179.078 176.519 -0.535 0.000 1.239 153 W CA 0.848 58.036 57.345 -0.261 0.000 1.266 153 W CB -0.771 28.645 29.460 -0.072 0.000 1.112 153 W HN -0.004 nan 8.180 nan 0.000 0.576 154 S N 0.661 116.100 115.700 -0.434 0.000 2.402 154 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 154 S C 1.876 176.272 174.600 -0.340 0.000 1.021 154 S CA 1.049 59.081 58.200 -0.280 0.000 0.974 154 S CB -0.370 62.749 63.200 -0.135 0.000 0.800 154 S HN 0.239 nan 8.310 nan 0.000 0.484 155 L N 0.050 121.007 121.223 -0.443 0.000 1.989 155 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 155 L C 1.992 178.439 176.870 -0.706 0.000 1.071 155 L CA 2.121 56.590 54.840 -0.619 0.000 0.749 155 L CB -0.874 40.636 42.059 -0.914 0.000 0.890 155 L HN 0.358 nan 8.230 nan 0.000 0.431 156 F N 0.684 120.320 119.950 -0.523 0.000 2.171 156 F HA -0.210 4.317 4.527 -0.000 0.000 0.300 156 F C 2.677 178.181 175.800 -0.493 0.000 1.090 156 F CA 1.579 59.291 58.000 -0.480 0.000 1.293 156 F CB -0.762 37.776 39.000 -0.770 0.000 1.013 156 F HN 0.130 nan 8.300 nan 0.000 0.486 157 K N 0.104 120.035 120.400 -0.781 0.000 2.057 157 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 157 K C 2.221 178.558 176.600 -0.439 0.000 1.049 157 K CA 1.720 57.309 56.287 -1.164 0.000 0.931 157 K CB -0.208 31.451 32.500 -1.403 0.000 0.714 157 K HN 0.118 nan 8.250 nan 0.000 0.440 158 S N 0.972 116.479 115.700 -0.321 0.000 2.368 158 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 158 S C 1.678 176.221 174.600 -0.096 0.000 1.029 158 S CA 0.828 58.921 58.200 -0.178 0.000 0.988 158 S CB -0.223 62.874 63.200 -0.173 0.000 0.838 158 S HN 0.216 nan 8.310 nan 0.000 0.462 159 L N 0.967 122.132 121.223 -0.097 0.000 2.056 159 L HA 0.020 4.359 4.340 -0.000 0.000 0.207 159 L C 1.942 178.870 176.870 0.097 0.000 1.078 159 L CA 1.654 56.490 54.840 -0.007 0.000 0.749 159 L CB -0.824 41.236 42.059 0.002 0.000 0.901 159 L HN 0.366 nan 8.230 nan 0.000 0.433 160 C N -1.697 117.706 119.300 0.171 0.000 2.791 160 C HA 0.597 5.056 4.460 -0.000 0.000 0.288 160 C C 1.989 177.158 174.990 0.298 0.000 1.271 160 C CA -0.009 59.179 59.018 0.283 0.000 1.726 160 C CB -0.428 27.586 27.740 0.457 0.000 2.145 160 C HN 0.783 nan 8.230 nan 0.000 0.572 161 G N 0.337 109.306 108.800 0.282 0.000 5.155 161 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.239 161 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.239 161 G C -0.024 175.234 174.900 0.597 0.000 1.409 161 G CA 0.464 45.749 45.100 0.309 0.000 0.927 161 G HN 0.413 nan 8.290 nan 0.000 0.710 162 Q N 1.250 121.360 119.800 0.516 0.000 2.348 162 Q HA 0.537 4.877 4.340 -0.000 0.000 0.271 162 Q C -1.450 174.656 176.000 0.177 0.000 1.067 162 Q CA -1.701 54.303 55.803 0.335 0.000 0.839 162 Q CB 2.158 30.994 28.738 0.162 0.000 1.354 162 Q HN 0.282 nan 8.270 nan 0.000 0.447 163 P HA -0.166 nan 4.420 nan 0.000 0.216 163 P C 0.321 177.732 177.300 0.185 0.000 1.150 163 P CA 1.281 64.053 63.100 -0.547 0.000 0.837 163 P CB 0.584 31.759 31.700 -0.876 0.000 0.786 164 E N -0.357 119.979 120.200 0.227 0.000 2.097 164 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 164 E C 2.097 178.826 176.600 0.214 0.000 1.000 164 E CA 2.032 58.589 56.400 0.262 0.000 0.804 164 E CB -1.428 28.358 29.700 0.145 0.000 0.740 164 E HN 0.269 nan 8.360 nan 0.000 0.454 165 T N 0.199 114.871 114.554 0.198 0.000 2.788 165 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 165 T C 1.520 176.334 174.700 0.190 0.000 1.044 165 T CA 1.255 63.463 62.100 0.180 0.000 1.139 165 T CB -0.351 68.644 68.868 0.211 0.000 0.867 165 T HN 0.246 nan 8.240 nan 0.000 0.454 166 F N 0.650 120.649 119.950 0.080 0.000 2.234 166 F HA 0.176 4.703 4.527 -0.000 0.000 0.296 166 F C 1.340 177.059 175.800 -0.135 0.000 1.089 166 F CA 0.678 58.641 58.000 -0.061 0.000 1.343 166 F CB -0.226 38.685 39.000 -0.149 0.000 1.040 166 F HN 0.056 nan 8.300 nan 0.000 0.498 167 F N 0.889 120.891 119.950 0.087 0.000 2.789 167 F HA 0.150 4.677 4.527 0.000 0.000 0.300 167 F C 2.172 177.929 175.800 -0.071 0.000 1.132 167 F CA 0.398 58.404 58.000 0.010 0.000 1.404 167 F CB -0.702 38.437 39.000 0.232 0.000 1.114 167 F HN -0.099 nan 8.300 nan 0.000 0.584 168 K N -0.083 120.324 120.400 0.012 0.000 2.052 168 K HA -0.230 4.090 4.320 -0.000 0.000 0.215 168 K C 1.371 177.715 176.600 -0.426 0.000 1.053 168 K CA 2.099 58.241 56.287 -0.241 0.000 0.934 168 K CB -0.130 32.172 32.500 -0.330 0.000 0.717 168 K HN 0.288 nan 8.250 nan 0.000 0.450 169 H N -2.288 116.762 119.070 -0.033 0.000 2.986 169 H HA 0.232 4.788 4.556 -0.000 0.000 0.267 169 H C 0.099 175.374 175.328 -0.088 0.000 1.072 169 H CA -0.202 55.816 56.048 -0.051 0.000 1.202 169 H CB 0.257 29.988 29.762 -0.051 0.000 1.535 169 H HN 0.147 nan 8.280 nan 0.000 0.522 170 C N 0.525 119.754 119.300 -0.118 0.000 2.630 170 C HA 0.682 5.142 4.460 -0.000 0.000 0.346 170 C C -0.131 174.940 174.990 0.134 0.000 1.245 170 C CA -0.608 58.306 59.018 -0.172 0.000 1.804 170 C CB 1.759 29.125 27.740 -0.624 0.000 2.279 170 C HN 0.305 nan 8.230 nan 0.000 0.498 171 F N -0.531 119.498 119.950 0.132 0.000 2.831 171 F HA 0.789 5.316 4.527 -0.000 0.000 0.318 171 F C -1.377 174.774 175.800 0.586 0.000 1.174 171 F CA -0.761 57.487 58.000 0.414 0.000 0.918 171 F CB 1.229 40.337 39.000 0.180 0.000 1.364 171 F HN 0.377 nan 8.300 nan 0.000 0.475 172 V N 1.944 121.907 119.914 0.083 0.000 2.888 172 V HA 0.587 4.707 4.120 -0.000 0.000 0.309 172 V C -1.593 174.690 176.094 0.314 0.000 1.114 172 V CA -0.621 61.892 62.300 0.355 0.000 0.940 172 V CB 1.952 34.015 31.823 0.400 0.000 1.021 172 V HN 0.987 nan 8.190 nan 0.000 0.426 173 H N 2.400 121.684 119.070 0.357 0.000 2.981 173 H HA 0.595 5.151 4.556 -0.000 0.000 0.327 173 H C -1.446 174.096 175.328 0.357 0.000 1.342 173 H CA -0.608 55.706 56.048 0.443 0.000 1.123 173 H CB 1.950 32.101 29.762 0.648 0.000 1.851 173 H HN 0.620 nan 8.280 nan 0.000 0.531 174 N N 0.266 118.766 118.700 -0.333 0.000 2.362 174 N HA 0.107 4.847 4.740 -0.000 0.000 0.299 174 N C 0.714 176.035 175.510 -0.316 0.000 1.170 174 N CA -0.540 52.381 53.050 -0.215 0.000 0.825 174 N CB 1.335 39.744 38.487 -0.130 0.000 1.299 174 N HN 0.742 nan 8.380 nan 0.000 0.502 175 H N 0.256 119.294 119.070 -0.053 0.000 2.357 175 H HA -0.021 4.535 4.556 0.000 0.000 0.301 175 H C -0.100 175.259 175.328 0.053 0.000 1.082 175 H CA 1.102 57.187 56.048 0.061 0.000 1.342 175 H CB 0.383 30.274 29.762 0.214 0.000 1.389 175 H HN 0.409 nan 8.280 nan 0.000 0.511 176 C N 2.790 122.094 119.300 0.006 0.000 2.408 176 C HA 0.368 4.828 4.460 -0.000 0.000 0.321 176 C C -1.556 173.403 174.990 -0.051 0.000 1.245 176 C CA -1.733 57.268 59.018 -0.027 0.000 1.523 176 C CB 1.513 29.312 27.740 0.098 0.000 2.178 176 C HN 0.301 nan 8.230 nan 0.000 0.488 177 P HA 0.106 nan 4.420 nan 0.000 0.245 177 P C -0.037 177.184 177.300 -0.131 0.000 1.206 177 P CA 0.570 63.621 63.100 -0.080 0.000 0.781 177 P CB 0.143 31.816 31.700 -0.045 0.000 0.994 178 L N 0.571 121.686 121.223 -0.179 0.000 2.379 178 L HA 0.482 4.822 4.340 -0.000 0.000 0.269 178 L C 0.699 177.197 176.870 -0.620 0.000 1.084 178 L CA -1.117 53.479 54.840 -0.406 0.000 0.802 178 L CB 1.274 42.991 42.059 -0.569 0.000 1.175 178 L HN -0.159 nan 8.230 nan 0.000 0.448 179 I N 0.238 120.389 120.570 -0.699 0.000 2.569 179 I HA 0.536 4.706 4.170 -0.000 0.000 0.296 179 I C -1.423 174.107 176.117 -0.978 0.000 1.028 179 I CA -0.241 60.640 61.300 -0.698 0.000 1.082 179 I CB 1.627 39.414 38.000 -0.355 0.000 1.264 179 I HN 0.269 nan 8.210 nan 0.000 0.429 180 F N 6.760 126.524 119.950 -0.311 0.000 2.495 180 F HA 0.688 5.214 4.527 -0.000 0.000 0.327 180 F C -0.224 175.403 175.800 -0.289 0.000 1.103 180 F CA -0.527 57.281 58.000 -0.319 0.000 0.949 180 F CB 2.057 40.878 39.000 -0.298 0.000 1.142 180 F HN 0.297 nan 8.300 nan 0.000 0.457 181 M N 2.571 122.129 119.600 -0.070 0.000 2.518 181 M HA 0.351 4.831 4.480 -0.000 0.000 0.300 181 M C -0.402 175.919 176.300 0.034 0.000 1.175 181 M CA -0.863 54.378 55.300 -0.098 0.000 0.890 181 M CB 2.207 34.651 32.600 -0.259 0.000 1.710 181 M HN 0.672 nan 8.290 nan 0.000 0.453 182 N N 0.350 119.036 118.700 -0.023 0.000 2.418 182 N HA 0.107 4.847 4.740 -0.000 0.000 0.283 182 N C 0.665 176.217 175.510 0.070 0.000 1.267 182 N CA 0.072 53.145 53.050 0.039 0.000 0.975 182 N CB -0.036 38.458 38.487 0.011 0.000 1.167 182 N HN 0.833 nan 8.380 nan 0.000 0.581 183 H N -2.729 116.408 119.070 0.113 0.000 2.489 183 H HA -0.006 4.550 4.556 -0.000 0.000 0.295 183 H C 1.028 176.474 175.328 0.196 0.000 1.082 183 H CA 1.705 57.877 56.048 0.207 0.000 1.295 183 H CB -0.248 29.587 29.762 0.123 0.000 1.380 183 H HN 0.518 nan 8.280 nan 0.000 0.548 184 S N -1.338 113.899 115.700 -0.771 0.000 2.554 184 S HA 0.354 4.824 4.470 -0.000 0.000 0.226 184 S C 1.616 175.755 174.600 -0.768 0.000 0.980 184 S CA -0.038 57.853 58.200 -0.514 0.000 0.939 184 S CB 0.014 62.918 63.200 -0.494 0.000 0.832 184 S HN 0.951 nan 8.310 nan 0.000 0.486 185 G N 1.305 109.507 108.800 -0.997 0.000 2.176 185 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 185 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 185 G C -0.095 174.512 174.900 -0.489 0.000 0.986 185 G CA 0.069 44.537 45.100 -1.054 0.000 0.643 185 G HN 0.679 nan 8.290 nan 0.000 0.522 186 K N 0.739 120.928 120.400 -0.352 0.000 2.322 186 K HA 0.318 4.637 4.320 -0.000 0.000 0.283 186 K C 0.652 177.137 176.600 -0.193 0.000 1.042 186 K CA -0.375 55.780 56.287 -0.221 0.000 0.958 186 K CB 0.169 32.570 32.500 -0.166 0.000 0.984 186 K HN 0.264 nan 8.250 nan 0.000 0.473 187 N N 3.683 122.279 118.700 -0.174 0.000 2.458 187 N HA 0.024 4.764 4.740 -0.000 0.000 0.258 187 N C -1.203 174.245 175.510 -0.105 0.000 1.219 187 N CA 0.110 53.066 53.050 -0.156 0.000 0.902 187 N CB 0.348 38.739 38.487 -0.161 0.000 1.076 187 N HN 0.388 nan 8.380 nan 0.000 0.455 188 L N 2.426 123.610 121.223 -0.064 0.000 2.333 188 L HA 0.403 4.743 4.340 -0.000 0.000 0.280 188 L C 0.622 177.478 176.870 -0.022 0.000 1.004 188 L CA -1.033 53.778 54.840 -0.048 0.000 0.820 188 L CB 1.606 43.637 42.059 -0.046 0.000 1.247 188 L HN 0.635 nan 8.230 nan 0.000 0.416 189 T N -0.758 113.743 114.554 -0.088 0.000 2.828 189 T HA 0.258 4.608 4.350 -0.000 0.000 0.290 189 T C -1.946 172.674 174.700 -0.134 0.000 1.019 189 T CA -1.606 60.424 62.100 -0.116 0.000 1.031 189 T CB 1.119 69.865 68.868 -0.204 0.000 1.001 189 T HN 0.305 nan 8.240 nan 0.000 0.531 190 P HA -0.099 nan 4.420 nan 0.000 0.216 190 P C 1.778 178.975 177.300 -0.172 0.000 1.150 190 P CA 1.502 64.507 63.100 -0.158 0.000 0.837 190 P CB -0.377 31.299 31.700 -0.041 0.000 0.786 191 T N -4.582 109.851 114.554 -0.202 0.000 3.051 191 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 191 T C 1.047 175.692 174.700 -0.091 0.000 1.127 191 T CA 0.935 62.973 62.100 -0.104 0.000 1.107 191 T CB -0.837 67.987 68.868 -0.075 0.000 0.898 191 T HN -0.016 nan 8.240 nan 0.000 0.517 192 D N 0.407 120.731 120.400 -0.126 0.000 2.340 192 D HA 0.239 4.879 4.640 -0.000 0.000 0.220 192 D C -0.016 176.218 176.300 -0.111 0.000 1.039 192 D CA -0.046 53.893 54.000 -0.102 0.000 0.866 192 D CB -0.102 40.636 40.800 -0.102 0.000 0.913 192 D HN 0.322 nan 8.370 nan 0.000 0.523 193 L N 1.222 122.358 121.223 -0.145 0.000 2.350 193 L HA 0.302 4.642 4.340 -0.000 0.000 0.275 193 L C -2.059 174.766 176.870 -0.074 0.000 1.099 193 L CA -1.946 52.802 54.840 -0.153 0.000 0.808 193 L CB 0.499 42.412 42.059 -0.243 0.000 1.149 193 L HN -0.245 nan 8.230 nan 0.000 0.442 194 P HA -0.004 nan 4.420 nan 0.000 0.262 194 P C -1.015 176.275 177.300 -0.017 0.000 1.199 194 P CA -0.426 62.659 63.100 -0.026 0.000 0.763 194 P CB -0.013 31.677 31.700 -0.017 0.000 0.790 195 K N 3.520 123.915 120.400 -0.009 0.000 2.366 195 K HA 0.208 4.528 4.320 -0.000 0.000 0.272 195 K C 0.602 177.201 176.600 -0.001 0.000 1.151 195 K CA 0.456 56.744 56.287 0.001 0.000 1.173 195 K CB -1.140 31.363 32.500 0.005 0.000 0.853 195 K HN 0.554 nan 8.250 nan 0.000 0.473 196 A N 2.945 125.765 122.820 -0.000 0.000 3.566 196 A HA -0.186 4.134 4.320 -0.000 0.000 0.160 196 A C 1.651 179.228 177.584 -0.013 0.000 1.298 196 A CA 0.381 52.413 52.037 -0.008 0.000 1.181 196 A CB -0.847 18.143 19.000 -0.016 0.000 0.826 196 A HN 0.470 nan 8.150 nan 0.000 0.396 197 Q N 0.137 119.927 119.800 -0.017 0.000 2.030 197 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 197 Q C 2.220 178.242 176.000 0.036 0.000 0.986 197 Q CA 2.405 58.204 55.803 -0.006 0.000 0.843 197 Q CB -0.204 28.553 28.738 0.031 0.000 0.904 197 Q HN 0.633 nan 8.270 nan 0.000 0.420 198 R N 0.440 120.953 120.500 0.021 0.000 2.094 198 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 198 R C 1.437 177.783 176.300 0.075 0.000 1.137 198 R CA 2.056 58.178 56.100 0.035 0.000 0.943 198 R CB -0.199 30.109 30.300 0.013 0.000 0.850 198 R HN 0.278 nan 8.270 nan 0.000 0.433 199 D N -0.500 119.934 120.400 0.057 0.000 2.117 199 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 199 D C 1.919 178.259 176.300 0.066 0.000 0.987 199 D CA 2.149 56.187 54.000 0.063 0.000 0.829 199 D CB -0.409 40.415 40.800 0.041 0.000 0.961 199 D HN 0.449 nan 8.370 nan 0.000 0.460 200 T N 0.484 115.066 114.554 0.047 0.000 2.777 200 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 200 T C 2.086 176.831 174.700 0.075 0.000 1.040 200 T CA 0.497 62.623 62.100 0.044 0.000 1.141 200 T CB -0.575 68.298 68.868 0.008 0.000 0.868 200 T HN 0.028 nan 8.240 nan 0.000 0.444 201 L N 1.393 122.679 121.223 0.105 0.000 1.978 201 L HA -0.074 4.266 4.340 -0.000 0.000 0.218 201 L C 2.350 179.321 176.870 0.167 0.000 1.075 201 L CA 1.772 56.713 54.840 0.168 0.000 0.767 201 L CB -0.836 41.371 42.059 0.246 0.000 0.890 201 L HN 0.253 nan 8.230 nan 0.000 0.434 202 L N -0.987 120.355 121.223 0.199 0.000 2.083 202 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 202 L C 2.511 179.516 176.870 0.226 0.000 1.083 202 L CA 1.465 56.482 54.840 0.295 0.000 0.752 202 L CB -0.699 41.550 42.059 0.316 0.000 0.899 202 L HN 0.386 nan 8.230 nan 0.000 0.433 203 E N 0.520 120.806 120.200 0.143 0.000 2.051 203 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 203 E C 2.289 178.941 176.600 0.088 0.000 0.991 203 E CA 1.269 57.732 56.400 0.105 0.000 0.799 203 E CB -0.094 29.649 29.700 0.071 0.000 0.748 203 E HN 0.426 nan 8.360 nan 0.000 0.449 204 I N 0.583 121.197 120.570 0.073 0.000 2.208 204 I HA -0.356 3.814 4.170 -0.000 0.000 0.245 204 I C 2.356 178.490 176.117 0.028 0.000 1.097 204 I CA 0.807 62.137 61.300 0.050 0.000 1.363 204 I CB -0.272 37.759 38.000 0.051 0.000 1.051 204 I HN 0.297 nan 8.210 nan 0.000 0.413 205 C N 0.407 119.703 119.300 -0.007 0.000 2.446 205 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 205 C C 2.428 177.365 174.990 -0.088 0.000 1.275 205 C CA 0.413 59.319 59.018 -0.187 0.000 1.727 205 C CB -1.079 26.299 27.740 -0.603 0.000 2.010 205 C HN 0.513 nan 8.230 nan 0.000 0.486 206 D N 0.583 121.074 120.400 0.151 0.000 2.149 206 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 206 D C 2.081 178.461 176.300 0.134 0.000 1.001 206 D CA 1.565 55.712 54.000 0.245 0.000 0.849 206 D CB -0.517 40.405 40.800 0.202 0.000 0.939 206 D HN 0.681 nan 8.370 nan 0.000 0.449 207 E N 0.135 120.387 120.200 0.087 0.000 2.047 207 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 207 E C 1.996 178.632 176.600 0.060 0.000 0.987 207 E CA 0.972 57.411 56.400 0.065 0.000 0.799 207 E CB -0.012 29.717 29.700 0.048 0.000 0.752 207 E HN 0.171 nan 8.360 nan 0.000 0.449 208 A N 1.147 123.996 122.820 0.048 0.000 1.969 208 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 208 A C 2.136 179.772 177.584 0.087 0.000 1.169 208 A CA 1.216 53.279 52.037 0.044 0.000 0.635 208 A CB -0.614 18.403 19.000 0.028 0.000 0.810 208 A HN 0.404 nan 8.150 nan 0.000 0.445 209 L N -0.025 121.277 121.223 0.132 0.000 2.017 209 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 209 L C 2.413 179.385 176.870 0.170 0.000 1.073 209 L CA 2.417 57.388 54.840 0.218 0.000 0.745 209 L CB -0.997 41.244 42.059 0.303 0.000 0.894 209 L HN 0.440 nan 8.230 nan 0.000 0.432 210 C N 0.027 119.405 119.300 0.130 0.000 2.391 210 C HA -0.227 4.233 4.460 -0.000 0.000 0.276 210 C C 2.707 177.745 174.990 0.081 0.000 1.217 210 C CA 1.293 60.369 59.018 0.097 0.000 1.766 210 C CB -1.311 26.474 27.740 0.075 0.000 2.046 210 C HN 0.664 nan 8.230 nan 0.000 0.475 211 Q N 1.057 120.896 119.800 0.065 0.000 2.046 211 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 211 Q C 2.615 178.646 176.000 0.053 0.000 0.975 211 Q CA 1.693 57.523 55.803 0.045 0.000 0.836 211 Q CB -0.562 28.187 28.738 0.018 0.000 0.896 211 Q HN 0.729 nan 8.270 nan 0.000 0.428 212 A N 1.109 123.958 122.820 0.048 0.000 1.892 212 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 212 A C 2.437 180.122 177.584 0.168 0.000 1.188 212 A CA 1.834 53.919 52.037 0.080 0.000 0.631 212 A CB -0.957 18.059 19.000 0.027 0.000 0.822 212 A HN 0.223 nan 8.150 nan 0.000 0.447 213 V N -0.506 119.501 119.914 0.156 0.000 2.407 213 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 213 V C 2.634 178.786 176.094 0.098 0.000 1.055 213 V CA 2.273 64.657 62.300 0.141 0.000 1.049 213 V CB -0.789 31.110 31.823 0.127 0.000 0.662 213 V HN 0.528 nan 8.190 nan 0.000 0.455 214 R N -0.555 119.993 120.500 0.080 0.000 2.066 214 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 214 R C 2.308 178.642 176.300 0.056 0.000 1.131 214 R CA 1.410 57.545 56.100 0.058 0.000 0.955 214 R CB -0.552 29.776 30.300 0.046 0.000 0.851 214 R HN 0.359 nan 8.270 nan 0.000 0.432 215 V N 1.406 121.360 119.914 0.067 0.000 2.332 215 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 215 V C 2.189 178.319 176.094 0.059 0.000 1.055 215 V CA 1.707 64.046 62.300 0.067 0.000 1.038 215 V CB -0.324 31.551 31.823 0.088 0.000 0.651 215 V HN 0.325 nan 8.190 nan 0.000 0.450 216 L N -0.307 120.964 121.223 0.080 0.000 2.156 216 L HA 0.156 4.496 4.340 -0.000 0.000 0.208 216 L C 1.796 178.676 176.870 0.017 0.000 1.095 216 L CA 1.148 56.005 54.840 0.029 0.000 0.770 216 L CB -0.582 41.513 42.059 0.060 0.000 0.914 216 L HN 0.569 nan 8.230 nan 0.000 0.439 217 G N 0.500 109.322 108.800 0.037 0.000 2.130 217 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 217 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 217 G C 0.243 175.160 174.900 0.029 0.000 0.999 217 G CA 0.064 45.181 45.100 0.027 0.000 0.686 217 G HN 0.227 nan 8.290 nan 0.000 0.515 218 V N -2.298 117.641 119.914 0.042 0.000 2.686 218 V HA 0.742 4.862 4.120 -0.000 0.000 0.295 218 V C 1.310 177.417 176.094 0.021 0.000 1.055 218 V CA -0.212 62.110 62.300 0.036 0.000 1.050 218 V CB 1.518 33.376 31.823 0.057 0.000 0.984 218 V HN 0.002 nan 8.190 nan 0.000 0.482 219 K N 2.373 122.774 120.400 0.001 0.000 2.361 219 K HA 0.427 4.747 4.320 -0.000 0.000 0.196 219 K C -0.172 176.419 176.600 -0.014 0.000 1.039 219 K CA 0.502 56.784 56.287 -0.008 0.000 1.001 219 K CB -0.184 32.302 32.500 -0.023 0.000 0.795 219 K HN 0.724 nan 8.250 nan 0.000 0.495 220 L N -0.106 121.105 121.223 -0.021 0.000 2.639 220 L HA 0.323 4.663 4.340 -0.000 0.000 0.264 220 L C -1.680 175.157 176.870 -0.055 0.000 0.948 220 L CA -0.605 54.209 54.840 -0.043 0.000 0.912 220 L CB 1.959 43.974 42.059 -0.072 0.000 1.294 220 L HN -0.274 nan 8.230 nan 0.000 0.412 221 V N 6.293 126.190 119.914 -0.028 0.000 2.394 221 V HA 0.515 4.635 4.120 -0.000 0.000 0.282 221 V C 0.123 176.190 176.094 -0.045 0.000 1.031 221 V CA -0.317 61.977 62.300 -0.011 0.000 0.881 221 V CB 1.590 33.449 31.823 0.060 0.000 0.982 221 V HN 0.586 nan 8.190 nan 0.000 0.451 222 I N 4.385 124.892 120.570 -0.106 0.000 2.359 222 I HA 0.422 4.592 4.170 -0.000 0.000 0.284 222 I C 0.975 177.154 176.117 0.104 0.000 1.018 222 I CA -0.274 60.987 61.300 -0.065 0.000 1.173 222 I CB 1.443 39.267 38.000 -0.293 0.000 1.326 222 I HN 0.719 nan 8.210 nan 0.000 0.462 223 G N 5.788 114.670 108.800 0.137 0.000 2.380 223 G HA2 0.365 4.325 3.960 -0.000 0.000 0.262 223 G HA3 0.365 4.325 3.960 -0.000 0.000 0.262 223 G C -0.119 174.953 174.900 0.287 0.000 1.243 223 G CA -0.274 44.952 45.100 0.209 0.000 0.865 223 G HN 0.391 nan 8.290 nan 0.000 0.513 224 V N 3.123 123.270 119.914 0.388 0.000 2.356 224 V HA 0.611 4.731 4.120 -0.000 0.000 0.258 224 V C 1.042 177.438 176.094 0.502 0.000 1.065 224 V CA 0.739 63.306 62.300 0.445 0.000 0.935 224 V CB -0.461 31.632 31.823 0.451 0.000 1.061 224 V HN 1.567 nan 8.190 nan 0.000 0.484 225 G N 5.224 114.281 108.800 0.429 0.000 2.712 225 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 225 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 225 G C 0.355 175.410 174.900 0.259 0.000 1.321 225 G CA -0.486 44.837 45.100 0.373 0.000 0.813 225 G HN 0.476 nan 8.290 nan 0.000 0.599 226 R N 0.420 121.038 120.500 0.198 0.000 2.081 226 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 226 R C 2.384 178.758 176.300 0.123 0.000 1.131 226 R CA 2.269 58.452 56.100 0.139 0.000 0.960 226 R CB -0.763 29.602 30.300 0.108 0.000 0.856 226 R HN 0.720 nan 8.270 nan 0.000 0.436 227 F N 1.667 121.636 119.950 0.032 0.000 2.134 227 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 227 F C 2.119 177.917 175.800 -0.004 0.000 1.097 227 F CA 1.455 59.457 58.000 0.002 0.000 1.264 227 F CB -0.223 38.770 39.000 -0.012 0.000 1.001 227 F HN -0.133 nan 8.300 nan 0.000 0.479 228 S N -0.118 115.704 115.700 0.203 0.000 2.387 228 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 228 S C 1.931 176.505 174.600 -0.045 0.000 1.026 228 S CA 1.014 59.262 58.200 0.081 0.000 0.972 228 S CB -0.409 62.972 63.200 0.302 0.000 0.814 228 S HN 0.599 nan 8.310 nan 0.000 0.477 229 E N 1.388 121.601 120.200 0.022 0.000 2.031 229 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 229 E C 2.064 178.619 176.600 -0.076 0.000 0.994 229 E CA 1.238 57.642 56.400 0.008 0.000 0.800 229 E CB -0.132 29.598 29.700 0.050 0.000 0.752 229 E HN 0.518 nan 8.360 nan 0.000 0.447 230 Q N -0.203 119.519 119.800 -0.129 0.000 2.084 230 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 230 Q C 2.312 178.164 176.000 -0.246 0.000 0.978 230 Q CA 1.607 57.314 55.803 -0.161 0.000 0.844 230 Q CB -0.093 28.554 28.738 -0.152 0.000 0.898 230 Q HN 0.010 nan 8.270 nan 0.000 0.426 231 R N 0.282 120.511 120.500 -0.452 0.000 2.115 231 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 231 R C 1.814 177.941 176.300 -0.289 0.000 1.100 231 R CA 1.327 57.107 56.100 -0.533 0.000 0.980 231 R CB -0.398 29.281 30.300 -1.034 0.000 0.875 231 R HN 0.266 nan 8.270 nan 0.000 0.445 232 A N 0.034 122.738 122.820 -0.194 0.000 1.930 232 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 232 A C 2.145 179.712 177.584 -0.029 0.000 1.176 232 A CA 1.149 53.155 52.037 -0.052 0.000 0.632 232 A CB -0.466 18.545 19.000 0.019 0.000 0.819 232 A HN 0.329 nan 8.150 nan 0.000 0.445 233 R N 0.352 120.823 120.500 -0.048 0.000 2.091 233 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 233 R C 2.265 178.549 176.300 -0.027 0.000 1.136 233 R CA 1.998 58.081 56.100 -0.028 0.000 0.959 233 R CB -0.243 30.038 30.300 -0.031 0.000 0.856 233 R HN 0.550 nan 8.270 nan 0.000 0.437 234 K N -0.295 120.075 120.400 -0.050 0.000 2.217 234 K HA -0.045 4.274 4.320 -0.000 0.000 0.202 234 K C 1.741 178.334 176.600 -0.012 0.000 1.051 234 K CA 1.235 57.499 56.287 -0.037 0.000 0.952 234 K CB -0.020 32.444 32.500 -0.060 0.000 0.736 234 K HN 0.234 nan 8.250 nan 0.000 0.453 235 A N 1.396 124.213 122.820 -0.004 0.000 1.898 235 A HA 0.018 4.338 4.320 -0.000 0.000 0.214 235 A C 2.063 179.673 177.584 0.043 0.000 1.183 235 A CA 0.828 52.889 52.037 0.039 0.000 0.622 235 A CB -0.335 18.715 19.000 0.083 0.000 0.824 235 A HN 0.292 nan 8.150 nan 0.000 0.444 236 L N -0.938 120.307 121.223 0.037 0.000 2.270 236 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 236 L C 2.685 179.571 176.870 0.026 0.000 1.104 236 L CA 0.977 55.840 54.840 0.040 0.000 0.804 236 L CB -0.397 41.688 42.059 0.043 0.000 0.937 236 L HN 0.520 nan 8.230 nan 0.000 0.450 237 M N 0.636 120.246 119.600 0.017 0.000 2.123 237 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 237 M C 2.158 178.467 176.300 0.014 0.000 1.069 237 M CA 1.941 57.248 55.300 0.012 0.000 1.133 237 M CB -0.179 32.424 32.600 0.005 0.000 1.356 237 M HN 0.217 nan 8.290 nan 0.000 0.415 238 A N 0.027 122.856 122.820 0.015 0.000 2.259 238 A HA -0.109 4.211 4.320 -0.000 0.000 0.212 238 A C 1.419 179.017 177.584 0.022 0.000 1.178 238 A CA 1.281 53.328 52.037 0.018 0.000 0.734 238 A CB -0.556 18.456 19.000 0.019 0.000 0.774 238 A HN 0.746 nan 8.150 nan 0.000 0.481 239 E N -1.805 118.410 120.200 0.025 0.000 2.810 239 E HA 0.294 4.644 4.350 -0.000 0.000 0.214 239 E C 0.667 177.281 176.600 0.024 0.000 0.980 239 E CA 0.139 56.555 56.400 0.026 0.000 1.159 239 E CB 0.301 30.021 29.700 0.034 0.000 1.047 239 E HN 0.623 nan 8.360 nan 0.000 0.484 240 G N 2.193 111.005 108.800 0.020 0.000 2.283 240 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.280 240 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.280 240 G C 0.235 175.147 174.900 0.019 0.000 1.029 240 G CA 0.292 45.402 45.100 0.017 0.000 0.840 240 G HN 0.294 nan 8.290 nan 0.000 0.505 241 I N 0.065 120.649 120.570 0.024 0.000 2.441 241 I HA 0.158 4.328 4.170 -0.000 0.000 0.287 241 I C 0.499 176.628 176.117 0.021 0.000 1.049 241 I CA -0.337 60.979 61.300 0.026 0.000 1.381 241 I CB 1.043 39.064 38.000 0.035 0.000 1.409 241 I HN 0.051 nan 8.210 nan 0.000 0.523 242 D N 6.810 127.221 120.400 0.018 0.000 2.619 242 D HA 0.296 4.936 4.640 -0.000 0.000 0.224 242 D C -0.986 175.321 176.300 0.013 0.000 1.133 242 D CA 0.073 54.081 54.000 0.013 0.000 1.017 242 D CB 0.153 40.959 40.800 0.010 0.000 1.077 242 D HN 0.104 nan 8.370 nan 0.000 0.503 243 V N 1.958 121.881 119.914 0.015 0.000 2.686 243 V HA 0.334 4.454 4.120 -0.000 0.000 0.306 243 V C 0.485 176.585 176.094 0.009 0.000 1.065 243 V CA -1.019 61.290 62.300 0.014 0.000 0.894 243 V CB 2.062 33.901 31.823 0.027 0.000 1.004 243 V HN 0.259 nan 8.190 nan 0.000 0.424 244 T N 3.868 118.422 114.554 0.001 0.000 2.916 244 T HA 0.380 4.730 4.350 -0.000 0.000 0.303 244 T C -0.113 174.585 174.700 -0.003 0.000 1.025 244 T CA -0.034 62.064 62.100 -0.004 0.000 1.142 244 T CB 0.900 69.760 68.868 -0.013 0.000 0.947 244 T HN 0.425 nan 8.240 nan 0.000 0.544 245 V N 4.909 124.823 119.914 -0.001 0.000 2.444 245 V HA 0.474 4.594 4.120 -0.000 0.000 0.294 245 V C 0.083 176.177 176.094 -0.000 0.000 1.022 245 V CA -0.847 61.455 62.300 0.002 0.000 0.850 245 V CB 1.573 33.401 31.823 0.007 0.000 0.992 245 V HN 0.716 nan 8.190 nan 0.000 0.426 246 K N 2.260 122.659 120.400 -0.002 0.000 2.082 246 K HA 0.873 5.193 4.320 -0.000 0.000 0.246 246 K C 0.061 176.681 176.600 0.033 0.000 1.061 246 K CA -0.557 55.734 56.287 0.007 0.000 0.952 246 K CB 1.924 34.421 32.500 -0.006 0.000 1.513 246 K HN 0.818 nan 8.250 nan 0.000 0.631 247 G N 0.604 109.434 108.800 0.049 0.000 2.733 247 G HA2 0.624 4.584 3.960 -0.000 0.000 0.297 247 G HA3 0.624 4.584 3.960 -0.000 0.000 0.297 247 G C -1.075 173.893 174.900 0.113 0.000 1.422 247 G CA -0.673 44.483 45.100 0.093 0.000 0.942 247 G HN 0.499 nan 8.290 nan 0.000 0.510 248 I N -1.189 119.489 120.570 0.179 0.000 2.892 248 I HA 0.700 4.870 4.170 -0.000 0.000 0.306 248 I C 0.136 176.393 176.117 0.233 0.000 1.078 248 I CA -1.499 59.903 61.300 0.171 0.000 1.032 248 I CB 2.428 40.542 38.000 0.190 0.000 1.229 248 I HN 0.558 nan 8.210 nan 0.000 0.435 249 M N 4.264 123.986 119.600 0.202 0.000 2.251 249 M HA 0.071 4.551 4.480 -0.000 0.000 0.343 249 M C 0.129 176.784 176.300 0.593 0.000 1.245 249 M CA 0.199 55.698 55.300 0.332 0.000 1.061 249 M CB 0.192 32.954 32.600 0.269 0.000 1.723 249 M HN 0.678 nan 8.290 nan 0.000 0.449 250 H N 6.823 126.119 119.070 0.377 0.000 2.848 250 H HA 0.120 4.676 4.556 -0.000 0.000 0.341 250 H C -1.963 173.417 175.328 0.087 0.000 1.060 250 H CA -0.865 55.364 56.048 0.301 0.000 1.444 250 H CB 0.985 30.862 29.762 0.192 0.000 1.446 250 H HN 0.480 nan 8.280 nan 0.000 0.583 251 P HA -0.053 nan 4.420 nan 0.000 0.245 251 P C 0.431 177.497 177.300 -0.390 0.000 1.212 251 P CA 0.048 62.436 63.100 -1.186 0.000 0.774 251 P CB 0.076 30.682 31.700 -1.822 0.000 0.999 252 S N 2.918 118.697 115.700 0.133 0.000 2.626 252 S HA 0.008 4.478 4.470 -0.000 0.000 0.303 252 S C -0.912 173.700 174.600 0.020 0.000 1.256 252 S CA -0.753 57.533 58.200 0.144 0.000 1.069 252 S CB 0.027 63.329 63.200 0.169 0.000 0.807 252 S HN 0.102 nan 8.310 nan 0.000 0.500 253 P HA -0.008 nan 4.420 nan 0.000 0.237 253 P C 1.066 178.369 177.300 0.006 0.000 1.178 253 P CA 0.201 63.296 63.100 -0.007 0.000 0.766 253 P CB 0.161 31.851 31.700 -0.016 0.000 0.876 254 R N 0.958 121.463 120.500 0.008 0.000 2.237 254 R HA -0.016 4.324 4.340 -0.000 0.000 0.219 254 R C 0.451 176.759 176.300 0.013 0.000 1.080 254 R CA 0.298 56.400 56.100 0.003 0.000 0.995 254 R CB -1.514 28.778 30.300 -0.014 0.000 0.875 254 R HN 0.139 nan 8.270 nan 0.000 0.462 255 N N 0.006 118.725 118.700 0.032 0.000 2.439 255 N HA 0.192 4.932 4.740 -0.000 0.000 0.249 255 N C -2.218 173.325 175.510 0.054 0.000 1.003 255 N CA -2.266 50.814 53.050 0.049 0.000 0.942 255 N CB 1.659 40.194 38.487 0.080 0.000 1.115 255 N HN -0.162 nan 8.380 nan 0.000 0.505 256 P HA -0.108 nan 4.420 nan 0.000 0.219 256 P C 0.563 177.894 177.300 0.052 0.000 1.146 256 P CA 1.303 64.426 63.100 0.039 0.000 0.808 256 P CB 0.295 32.012 31.700 0.029 0.000 0.779 257 Q N -1.084 118.756 119.800 0.067 0.000 2.230 257 Q HA -0.009 4.331 4.340 -0.000 0.000 0.202 257 Q C 2.089 178.158 176.000 0.116 0.000 0.963 257 Q CA 1.244 57.093 55.803 0.077 0.000 0.866 257 Q CB -0.469 28.316 28.738 0.078 0.000 0.931 257 Q HN 0.207 nan 8.270 nan 0.000 0.452 258 A N 1.255 124.162 122.820 0.145 0.000 1.930 258 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 258 A C 1.635 179.305 177.584 0.144 0.000 1.176 258 A CA 0.874 53.044 52.037 0.222 0.000 0.632 258 A CB -0.153 18.949 19.000 0.169 0.000 0.819 258 A HN 0.239 nan 8.150 nan 0.000 0.445 259 N N 0.192 118.939 118.700 0.078 0.000 2.453 259 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 259 N C 1.280 176.820 175.510 0.050 0.000 1.041 259 N CA 1.143 54.223 53.050 0.050 0.000 0.900 259 N CB -0.134 38.370 38.487 0.028 0.000 0.961 259 N HN 0.585 nan 8.380 nan 0.000 0.443 260 K N -0.908 119.526 120.400 0.056 0.000 2.308 260 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 260 K C 0.738 177.363 176.600 0.041 0.000 1.049 260 K CA 0.540 56.851 56.287 0.039 0.000 0.991 260 K CB 0.810 33.329 32.500 0.030 0.000 0.836 260 K HN 0.086 nan 8.250 nan 0.000 0.500 261 G N 0.061 108.900 108.800 0.064 0.000 4.193 261 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.238 261 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.238 261 G C -0.504 174.429 174.900 0.054 0.000 3.770 261 G CA -0.740 44.387 45.100 0.045 0.000 0.587 261 G HN 0.209 nan 8.290 nan 0.000 0.219 262 W N 1.005 122.269 121.300 -0.060 0.000 2.335 262 W HA -0.120 4.540 4.660 0.000 0.000 0.311 262 W C 1.945 178.395 176.519 -0.116 0.000 1.213 262 W CA 2.289 59.590 57.345 -0.074 0.000 1.274 262 W CB 0.263 29.676 29.460 -0.078 0.000 1.148 262 W HN 0.497 nan 8.180 nan 0.000 0.498 263 E N -0.667 119.501 120.200 -0.054 0.000 2.058 263 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 263 E C 2.417 178.792 176.600 -0.374 0.000 0.997 263 E CA 1.972 58.190 56.400 -0.304 0.000 0.801 263 E CB -0.900 28.741 29.700 -0.099 0.000 0.746 263 E HN 0.300 nan 8.360 nan 0.000 0.450 264 G N 1.002 109.670 108.800 -0.220 0.000 2.421 264 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 264 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 264 G C 1.604 176.371 174.900 -0.222 0.000 1.171 264 G CA 1.022 46.013 45.100 -0.182 0.000 0.775 264 G HN 0.276 nan 8.290 nan 0.000 0.543 265 I N 0.364 120.788 120.570 -0.243 0.000 2.179 265 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 265 I C 2.739 178.653 176.117 -0.339 0.000 1.088 265 I CA 0.606 61.763 61.300 -0.239 0.000 1.357 265 I CB -0.228 37.657 38.000 -0.192 0.000 1.051 265 I HN 0.030 nan 8.210 nan 0.000 0.409 266 V N 0.527 120.080 119.914 -0.602 0.000 2.453 266 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 266 V C 2.519 178.358 176.094 -0.424 0.000 1.048 266 V CA 1.536 63.452 62.300 -0.640 0.000 1.049 266 V CB -0.751 30.313 31.823 -1.265 0.000 0.672 266 V HN 0.336 nan 8.190 nan 0.000 0.457 267 R N 0.326 120.583 120.500 -0.404 0.000 2.096 267 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 267 R C 2.483 178.684 176.300 -0.165 0.000 1.139 267 R CA 1.735 57.680 56.100 -0.258 0.000 0.952 267 R CB -0.894 29.273 30.300 -0.221 0.000 0.854 267 R HN 0.593 nan 8.270 nan 0.000 0.436 268 G N 0.445 109.150 108.800 -0.159 0.000 2.418 268 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 268 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 268 G C 1.205 176.052 174.900 -0.088 0.000 1.158 268 G CA 0.478 45.514 45.100 -0.107 0.000 0.771 268 G HN 0.360 nan 8.290 nan 0.000 0.545 269 Q N -0.291 119.444 119.800 -0.109 0.000 2.124 269 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 269 Q C 2.652 178.629 176.000 -0.039 0.000 0.977 269 Q CA 0.862 56.623 55.803 -0.069 0.000 0.850 269 Q CB -0.228 28.465 28.738 -0.076 0.000 0.901 269 Q HN 0.442 nan 8.270 nan 0.000 0.429 270 L N 0.011 121.206 121.223 -0.045 0.000 2.072 270 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 270 L C 2.303 179.175 176.870 0.003 0.000 1.079 270 L CA 0.235 55.081 54.840 0.010 0.000 0.752 270 L CB -0.423 41.658 42.059 0.037 0.000 0.906 270 L HN 0.248 nan 8.230 nan 0.000 0.436 271 L N 0.233 121.442 121.223 -0.023 0.000 1.951 271 L HA -0.303 4.037 4.340 -0.000 0.000 0.222 271 L C 2.532 179.392 176.870 -0.016 0.000 1.078 271 L CA 1.961 56.789 54.840 -0.020 0.000 0.778 271 L CB -0.800 41.239 42.059 -0.033 0.000 0.893 271 L HN 0.233 nan 8.230 nan 0.000 0.436 272 E N -0.606 119.581 120.200 -0.021 0.000 2.233 272 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 272 E C 2.112 178.705 176.600 -0.013 0.000 1.004 272 E CA 1.647 58.036 56.400 -0.017 0.000 0.819 272 E CB -0.235 29.453 29.700 -0.020 0.000 0.738 272 E HN 0.567 nan 8.360 nan 0.000 0.478 273 L N -1.058 120.159 121.223 -0.009 0.000 2.567 273 L HA 0.104 4.444 4.340 -0.000 0.000 0.225 273 L C 1.453 178.316 176.870 -0.013 0.000 1.119 273 L CA 0.441 55.274 54.840 -0.011 0.000 0.871 273 L CB 0.163 42.217 42.059 -0.008 0.000 1.036 273 L HN 0.196 nan 8.230 nan 0.000 0.459 274 G N 0.426 109.222 108.800 -0.008 0.000 2.148 274 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 274 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 274 G C 0.813 175.711 174.900 -0.004 0.000 0.981 274 G CA 0.524 45.619 45.100 -0.009 0.000 0.670 274 G HN 0.304 nan 8.290 nan 0.000 0.528 275 V N -1.902 118.019 119.914 0.012 0.000 3.608 275 V HA 0.417 4.536 4.120 -0.000 0.000 0.269 275 V C 2.364 178.496 176.094 0.065 0.000 1.245 275 V CA 1.260 63.578 62.300 0.030 0.000 1.138 275 V CB -0.225 31.625 31.823 0.045 0.000 0.841 275 V HN 0.349 nan 8.190 nan 0.000 0.451 276 L N 1.730 122.985 121.223 0.054 0.000 2.201 276 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 276 L C 2.944 179.849 176.870 0.058 0.000 1.105 276 L CA 1.738 56.616 54.840 0.063 0.000 0.775 276 L CB -0.473 41.606 42.059 0.034 0.000 0.913 276 L HN 0.648 nan 8.230 nan 0.000 0.440 277 S N 0.164 115.886 115.700 0.037 0.000 2.368 277 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 277 S C 1.895 176.525 174.600 0.050 0.000 1.029 277 S CA 0.804 59.024 58.200 0.032 0.000 0.988 277 S CB -0.753 62.453 63.200 0.009 0.000 0.838 277 S HN 0.366 nan 8.310 nan 0.000 0.462 278 L N 0.382 121.631 121.223 0.043 0.000 2.261 278 L HA 0.054 4.394 4.340 -0.000 0.000 0.216 278 L C 0.540 177.499 176.870 0.149 0.000 1.114 278 L CA 0.872 55.766 54.840 0.089 0.000 0.777 278 L CB -0.599 41.486 42.059 0.044 0.000 0.910 278 L HN 0.312 nan 8.230 nan 0.000 0.440 279 L N -0.424 120.876 121.223 0.128 0.000 2.709 279 L HA 0.274 4.614 4.340 -0.000 0.000 0.236 279 L C 0.477 177.432 176.870 0.141 0.000 1.266 279 L CA -0.565 54.370 54.840 0.159 0.000 0.987 279 L CB 0.212 42.403 42.059 0.220 0.000 1.306 279 L HN -0.032 nan 8.230 nan 0.000 0.467 280 T N 0.000 114.628 114.554 0.124 0.000 3.816 280 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 280 T CA 0.000 62.160 62.100 0.100 0.000 1.349 280 T CB 0.000 68.930 68.868 0.104 0.000 0.612 280 T HN 0.000 nan 8.240 nan 0.000 0.658