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 1q3g_1_I DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 D N 3.714 124.140 120.400 0.043 0.000 2.443 2 D HA 0.356 4.995 4.640 -0.000 0.000 0.234 2 D C -0.347 175.961 176.300 0.014 0.000 1.172 2 D CA 0.946 54.969 54.000 0.037 0.000 0.878 2 D CB 0.706 41.524 40.800 0.030 0.000 1.204 2 D HN 0.526 nan 8.370 nan 0.000 0.453 3 K N 0.534 120.959 120.400 0.042 0.000 2.509 3 K HA 0.473 4.793 4.320 -0.000 0.000 0.266 3 K C -0.916 175.818 176.600 0.223 0.000 0.987 3 K CA -0.770 55.544 56.287 0.044 0.000 0.868 3 K CB 1.959 34.497 32.500 0.064 0.000 1.421 3 K HN 0.293 nan 8.250 nan 0.000 0.444 4 F N 1.156 121.107 119.950 0.002 0.000 2.444 4 F HA 0.417 4.944 4.527 -0.000 0.000 0.342 4 F C 0.192 175.989 175.800 -0.005 0.000 1.121 4 F CA -1.021 56.977 58.000 -0.004 0.000 0.997 4 F CB 1.956 40.946 39.000 -0.016 0.000 1.130 4 F HN 0.215 nan 8.300 nan 0.000 0.454 5 R N 4.019 124.604 120.500 0.142 0.000 2.239 5 R HA 0.528 4.868 4.340 -0.000 0.000 0.332 5 R C -1.743 174.561 176.300 0.007 0.000 0.988 5 R CA -0.382 55.755 56.100 0.062 0.000 0.859 5 R CB 1.188 31.513 30.300 0.042 0.000 1.148 5 R HN 0.460 nan 8.270 nan 0.000 0.482 6 V N 4.526 124.447 119.914 0.012 0.000 2.435 6 V HA 0.315 4.434 4.120 -0.000 0.000 0.290 6 V C -0.263 175.823 176.094 -0.013 0.000 1.030 6 V CA -0.853 61.437 62.300 -0.018 0.000 0.881 6 V CB 1.723 33.541 31.823 -0.008 0.000 0.983 6 V HN 0.670 nan 8.190 nan 0.000 0.445 7 Q N 2.712 122.499 119.800 -0.023 0.000 2.293 7 Q HA 0.690 5.030 4.340 -0.000 0.000 0.261 7 Q C 0.129 176.119 176.000 -0.017 0.000 0.960 7 Q CA -0.111 55.682 55.803 -0.016 0.000 0.882 7 Q CB 2.343 31.070 28.738 -0.018 0.000 1.275 7 Q HN 0.986 nan 8.270 nan 0.000 0.445 8 G N 2.428 111.221 108.800 -0.012 0.000 2.798 8 G HA2 0.708 4.667 3.960 -0.000 0.000 0.286 8 G HA3 0.708 4.667 3.960 -0.000 0.000 0.286 8 G C -2.851 172.044 174.900 -0.009 0.000 1.389 8 G CA -1.156 43.937 45.100 -0.011 0.000 0.894 8 G HN 0.330 nan 8.290 nan 0.000 0.488 9 P HA 0.378 nan 4.420 nan 0.000 0.286 9 P C -0.732 176.563 177.300 -0.008 0.000 1.261 9 P CA -0.126 62.969 63.100 -0.008 0.000 0.821 9 P CB 1.639 33.335 31.700 -0.006 0.000 1.013 10 T N -0.730 113.819 114.554 -0.009 0.000 3.011 10 T HA 0.423 4.772 4.350 -0.000 0.000 0.303 10 T C 0.029 174.725 174.700 -0.005 0.000 0.997 10 T CA -1.070 61.025 62.100 -0.008 0.000 1.007 10 T CB 1.080 69.941 68.868 -0.012 0.000 1.017 10 T HN 0.539 nan 8.240 nan 0.000 0.443 11 R N 4.029 124.527 120.500 -0.004 0.000 2.442 11 R HA 0.436 4.776 4.340 -0.000 0.000 0.291 11 R C -0.844 175.457 176.300 0.001 0.000 1.069 11 R CA -0.618 55.481 56.100 -0.002 0.000 1.022 11 R CB 0.282 30.581 30.300 -0.001 0.000 0.976 11 R HN 0.683 nan 8.270 nan 0.000 0.443 12 L N 4.792 126.019 121.223 0.007 0.000 2.265 12 L HA 0.288 4.628 4.340 -0.000 0.000 0.288 12 L C 0.149 177.029 176.870 0.016 0.000 1.058 12 L CA -0.365 54.486 54.840 0.018 0.000 0.809 12 L CB 1.042 43.125 42.059 0.040 0.000 1.179 12 L HN 0.778 nan 8.230 nan 0.000 0.429 13 Q N 3.668 123.471 119.800 0.006 0.000 2.534 13 Q HA 0.777 5.117 4.340 -0.000 0.000 0.290 13 Q C -0.462 175.528 176.000 -0.016 0.000 0.991 13 Q CA 0.008 55.809 55.803 -0.004 0.000 0.783 13 Q CB 2.970 31.702 28.738 -0.010 0.000 1.470 13 Q HN 0.690 nan 8.270 nan 0.000 0.406 14 G N 1.329 110.114 108.800 -0.025 0.000 2.250 14 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.189 14 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.189 14 G C -1.416 173.452 174.900 -0.053 0.000 1.298 14 G CA -0.182 44.893 45.100 -0.041 0.000 1.246 14 G HN 0.670 nan 8.290 nan 0.000 0.513 15 E N -1.502 118.654 120.200 -0.074 0.000 2.369 15 E HA 0.660 5.010 4.350 -0.000 0.000 0.270 15 E C -1.475 175.037 176.600 -0.146 0.000 0.909 15 E CA -0.733 55.613 56.400 -0.091 0.000 0.775 15 E CB 3.184 32.836 29.700 -0.080 0.000 1.270 15 E HN 0.968 nan 8.360 nan 0.000 0.445 16 V N 0.842 120.651 119.914 -0.175 0.000 3.048 16 V HA 0.434 4.554 4.120 -0.000 0.000 0.303 16 V C -1.533 174.457 176.094 -0.175 0.000 1.214 16 V CA -0.268 61.863 62.300 -0.281 0.000 0.984 16 V CB 2.506 33.941 31.823 -0.647 0.000 1.054 16 V HN 0.709 nan 8.190 nan 0.000 0.430 17 T N 7.372 121.841 114.554 -0.141 0.000 2.756 17 T HA 0.532 4.882 4.350 -0.000 0.000 0.290 17 T C -0.170 174.509 174.700 -0.035 0.000 0.985 17 T CA -0.269 61.795 62.100 -0.060 0.000 0.955 17 T CB 0.622 69.469 68.868 -0.037 0.000 0.930 17 T HN 0.485 nan 8.240 nan 0.000 0.451 18 I N 3.194 123.768 120.570 0.008 0.000 2.648 18 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 18 I C 1.174 177.315 176.117 0.040 0.000 1.153 18 I CA 0.149 61.481 61.300 0.054 0.000 1.426 18 I CB 0.293 38.336 38.000 0.073 0.000 1.381 18 I HN 0.565 nan 8.210 nan 0.000 0.571 19 S N 3.957 119.689 115.700 0.054 0.000 2.686 19 S HA 0.513 4.983 4.470 -0.000 0.000 0.270 19 S C 0.635 175.241 174.600 0.009 0.000 1.194 19 S CA -0.579 57.638 58.200 0.029 0.000 0.990 19 S CB 1.191 64.415 63.200 0.041 0.000 1.029 19 S HN 0.849 nan 8.310 nan 0.000 0.560 20 G N 0.131 108.925 108.800 -0.010 0.000 2.554 20 G HA2 0.440 4.399 3.960 -0.000 0.000 0.238 20 G HA3 0.440 4.399 3.960 -0.000 0.000 0.238 20 G C -0.064 174.821 174.900 -0.025 0.000 1.259 20 G CA -0.343 44.742 45.100 -0.024 0.000 0.843 20 G HN 0.890 nan 8.290 nan 0.000 0.582 21 A N 1.432 124.236 122.820 -0.027 0.000 2.491 21 A HA 0.256 4.576 4.320 -0.000 0.000 0.261 21 A C 1.637 179.205 177.584 -0.028 0.000 1.101 21 A CA 0.324 52.343 52.037 -0.030 0.000 0.772 21 A CB 0.273 19.257 19.000 -0.027 0.000 1.043 21 A HN 0.927 nan 8.150 nan 0.000 0.501 22 K N 2.583 122.961 120.400 -0.036 0.000 2.032 22 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 22 K C 0.558 177.177 176.600 0.031 0.000 1.048 22 K CA 1.977 58.256 56.287 -0.014 0.000 0.927 22 K CB -0.144 32.331 32.500 -0.040 0.000 0.712 22 K HN 0.714 nan 8.250 nan 0.000 0.441 23 N N 0.126 118.848 118.700 0.036 0.000 2.501 23 N HA -0.002 4.738 4.740 -0.000 0.000 0.195 23 N C 0.591 176.127 175.510 0.045 0.000 1.213 23 N CA 0.772 53.878 53.050 0.094 0.000 0.864 23 N CB 0.746 39.292 38.487 0.098 0.000 0.999 23 N HN 0.382 nan 8.380 nan 0.000 0.454 24 A N -0.176 122.641 122.820 -0.006 0.000 1.997 24 A HA 0.458 4.778 4.320 -0.000 0.000 0.198 24 A C 2.112 179.642 177.584 -0.089 0.000 1.449 24 A CA 0.646 52.651 52.037 -0.054 0.000 0.908 24 A CB -0.342 18.639 19.000 -0.031 0.000 0.984 24 A HN 0.180 nan 8.150 nan 0.000 0.487 25 A N 0.426 123.210 122.820 -0.060 0.000 1.902 25 A HA -0.017 4.302 4.320 -0.000 0.000 0.217 25 A C 2.110 179.651 177.584 -0.071 0.000 1.181 25 A CA 1.515 53.498 52.037 -0.090 0.000 0.623 25 A CB -0.703 18.260 19.000 -0.062 0.000 0.818 25 A HN 0.435 nan 8.150 nan 0.000 0.443 26 L N -0.039 121.208 121.223 0.040 0.000 1.994 26 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 26 L C -0.182 176.799 176.870 0.186 0.000 1.071 26 L CA 1.859 56.822 54.840 0.204 0.000 0.745 26 L CB -1.434 40.883 42.059 0.431 0.000 0.892 26 L HN 0.314 nan 8.230 nan 0.000 0.431 27 P HA -0.165 nan 4.420 nan 0.000 0.219 27 P C 1.808 178.945 177.300 -0.272 0.000 1.150 27 P CA 1.595 64.339 63.100 -0.594 0.000 0.814 27 P CB 0.057 31.145 31.700 -1.019 0.000 0.787 28 I N -0.698 119.708 120.570 -0.274 0.000 2.315 28 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 28 I C 2.632 178.523 176.117 -0.376 0.000 1.117 28 I CA 0.984 62.023 61.300 -0.435 0.000 1.404 28 I CB -0.517 37.066 38.000 -0.695 0.000 1.071 28 I HN -0.149 nan 8.210 nan 0.000 0.419 29 L N -0.413 120.657 121.223 -0.254 0.000 2.083 29 L HA -0.210 4.129 4.340 -0.000 0.000 0.209 29 L C 2.406 179.173 176.870 -0.172 0.000 1.083 29 L CA 1.568 56.266 54.840 -0.237 0.000 0.752 29 L CB -0.476 41.417 42.059 -0.276 0.000 0.899 29 L HN 0.147 nan 8.230 nan 0.000 0.433 30 F N -0.453 119.494 119.950 -0.006 0.000 2.259 30 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 30 F C 2.551 178.395 175.800 0.073 0.000 1.088 30 F CA 0.878 58.920 58.000 0.070 0.000 1.358 30 F CB -0.441 38.642 39.000 0.137 0.000 1.040 30 F HN -0.005 nan 8.300 nan 0.000 0.505 31 A N 0.080 123.023 122.820 0.205 0.000 2.019 31 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 31 A C 2.331 180.087 177.584 0.288 0.000 1.164 31 A CA 1.410 53.580 52.037 0.221 0.000 0.644 31 A CB -1.111 18.043 19.000 0.257 0.000 0.805 31 A HN 0.293 nan 8.150 nan 0.000 0.449 32 A N -0.288 122.706 122.820 0.289 0.000 2.070 32 A HA -0.007 4.313 4.320 -0.000 0.000 0.220 32 A C 1.954 179.652 177.584 0.189 0.000 1.159 32 A CA 1.185 53.388 52.037 0.277 0.000 0.656 32 A CB -0.569 18.539 19.000 0.179 0.000 0.800 32 A HN 0.498 nan 8.150 nan 0.000 0.453 33 L N -0.802 120.538 121.223 0.195 0.000 2.353 33 L HA -0.151 4.189 4.340 -0.000 0.000 0.220 33 L C 2.064 179.072 176.870 0.230 0.000 1.133 33 L CA 0.691 55.670 54.840 0.231 0.000 0.798 33 L CB -0.320 41.909 42.059 0.284 0.000 0.922 33 L HN 0.430 nan 8.230 nan 0.000 0.445 34 L N -0.650 120.667 121.223 0.156 0.000 2.341 34 L HA 0.096 4.436 4.340 -0.000 0.000 0.214 34 L C 1.379 178.266 176.870 0.029 0.000 1.115 34 L CA -0.332 54.550 54.840 0.070 0.000 0.820 34 L CB -0.353 41.722 42.059 0.026 0.000 0.944 34 L HN 0.110 nan 8.230 nan 0.000 0.452 35 A N 0.441 123.295 122.820 0.056 0.000 2.454 35 A HA 0.101 4.421 4.320 -0.000 0.000 0.260 35 A C 0.993 178.609 177.584 0.053 0.000 1.106 35 A CA -0.154 51.901 52.037 0.031 0.000 0.780 35 A CB 0.224 19.256 19.000 0.054 0.000 1.044 35 A HN 0.312 nan 8.150 nan 0.000 0.498 36 E N 1.466 121.680 120.200 0.024 0.000 2.340 36 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 36 E C 0.038 176.665 176.600 0.045 0.000 0.996 36 E CA 0.504 56.926 56.400 0.037 0.000 0.869 36 E CB 0.340 30.044 29.700 0.007 0.000 0.835 36 E HN 0.857 nan 8.360 nan 0.000 0.493 37 E N 1.124 121.346 120.200 0.036 0.000 2.243 37 E HA 0.316 4.666 4.350 -0.000 0.000 0.260 37 E C -2.595 174.043 176.600 0.064 0.000 0.985 37 E CA -2.419 54.008 56.400 0.044 0.000 0.858 37 E CB 0.798 30.516 29.700 0.029 0.000 1.210 37 E HN -0.163 nan 8.360 nan 0.000 0.411 38 P HA -0.019 nan 4.420 nan 0.000 0.266 38 P C -1.057 176.314 177.300 0.119 0.000 1.193 38 P CA 0.251 63.416 63.100 0.107 0.000 0.770 38 P CB 0.472 32.239 31.700 0.112 0.000 0.836 39 V N 2.084 122.086 119.914 0.147 0.000 2.760 39 V HA 0.361 4.480 4.120 -0.000 0.000 0.309 39 V C -0.330 175.834 176.094 0.116 0.000 1.077 39 V CA -0.509 61.884 62.300 0.155 0.000 0.910 39 V CB 2.141 34.084 31.823 0.200 0.000 1.008 39 V HN 0.491 nan 8.190 nan 0.000 0.424 40 E N 4.082 124.314 120.200 0.053 0.000 2.191 40 E HA 0.572 4.922 4.350 -0.000 0.000 0.263 40 E C -1.566 174.928 176.600 -0.178 0.000 0.881 40 E CA -0.584 55.694 56.400 -0.203 0.000 0.757 40 E CB 1.618 31.190 29.700 -0.212 0.000 1.147 40 E HN 0.658 nan 8.360 nan 0.000 0.414 41 I N 4.491 124.888 120.570 -0.289 0.000 2.330 41 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 41 I C 0.232 176.175 176.117 -0.290 0.000 1.001 41 I CA -0.524 60.645 61.300 -0.219 0.000 1.193 41 I CB 1.423 39.273 38.000 -0.251 0.000 1.345 41 I HN 0.380 nan 8.210 nan 0.000 0.461 42 Q N 3.971 123.643 119.800 -0.213 0.000 2.212 42 Q HA 0.289 4.629 4.340 -0.000 0.000 0.238 42 Q C 0.336 176.243 176.000 -0.155 0.000 0.955 42 Q CA -0.728 54.948 55.803 -0.210 0.000 0.906 42 Q CB 0.762 29.401 28.738 -0.166 0.000 1.215 42 Q HN 0.586 nan 8.270 nan 0.000 0.478 43 N N -0.602 118.021 118.700 -0.128 0.000 2.735 43 N HA -0.166 4.574 4.740 -0.000 0.000 0.248 43 N C -1.648 173.813 175.510 -0.081 0.000 1.083 43 N CA 0.245 53.243 53.050 -0.088 0.000 0.703 43 N CB -0.928 37.511 38.487 -0.080 0.000 1.005 43 N HN 0.332 nan 8.380 nan 0.000 0.550 44 V N 1.732 121.586 119.914 -0.099 0.000 2.432 44 V HA 0.363 4.483 4.120 -0.000 0.000 0.271 44 V C -1.365 174.700 176.094 -0.048 0.000 1.046 44 V CA -1.030 61.219 62.300 -0.085 0.000 0.945 44 V CB 1.077 32.832 31.823 -0.114 0.000 0.992 44 V HN 0.220 nan 8.190 nan 0.000 0.471 45 P HA 0.160 nan 4.420 nan 0.000 0.272 45 P C -0.772 176.529 177.300 0.002 0.000 1.223 45 P CA -0.469 62.627 63.100 -0.006 0.000 0.784 45 P CB 0.887 32.584 31.700 -0.004 0.000 0.923 46 K N 2.539 122.952 120.400 0.022 0.000 2.206 46 K HA 0.390 4.709 4.320 -0.000 0.000 0.268 46 K C -0.191 176.434 176.600 0.041 0.000 1.111 46 K CA -0.203 56.102 56.287 0.029 0.000 0.955 46 K CB -0.089 32.434 32.500 0.038 0.000 1.406 46 K HN 0.420 nan 8.250 nan 0.000 0.427 47 L N 1.158 122.400 121.223 0.033 0.000 2.323 47 L HA 0.361 4.700 4.340 -0.000 0.000 0.265 47 L C 1.406 178.299 176.870 0.038 0.000 1.012 47 L CA -1.065 53.800 54.840 0.042 0.000 0.820 47 L CB 1.317 43.395 42.059 0.032 0.000 1.334 47 L HN 0.288 nan 8.230 nan 0.000 0.427 48 K N 0.700 121.127 120.400 0.046 0.000 2.103 48 K HA -0.166 4.153 4.320 -0.000 0.000 0.207 48 K C 1.057 177.677 176.600 0.034 0.000 1.048 48 K CA 1.688 57.998 56.287 0.038 0.000 0.930 48 K CB 0.096 32.623 32.500 0.045 0.000 0.716 48 K HN 0.614 nan 8.250 nan 0.000 0.444 49 D N 0.587 121.013 120.400 0.043 0.000 2.178 49 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 49 D C 1.840 178.169 176.300 0.048 0.000 0.974 49 D CA 0.542 54.574 54.000 0.054 0.000 0.841 49 D CB 0.062 40.904 40.800 0.071 0.000 0.953 49 D HN 0.158 nan 8.370 nan 0.000 0.478 50 I N 1.368 121.955 120.570 0.029 0.000 2.439 50 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 50 I C 1.668 177.780 176.117 -0.008 0.000 1.139 50 I CA 1.024 62.326 61.300 0.003 0.000 1.438 50 I CB -0.729 37.267 38.000 -0.006 0.000 1.085 50 I HN -0.059 nan 8.210 nan 0.000 0.427 51 D N 0.691 121.094 120.400 0.006 0.000 2.097 51 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 51 D C 2.143 178.442 176.300 -0.001 0.000 0.984 51 D CA 1.600 55.602 54.000 0.003 0.000 0.826 51 D CB -0.296 40.509 40.800 0.009 0.000 0.973 51 D HN 0.235 nan 8.370 nan 0.000 0.460 52 T N 0.515 115.075 114.554 0.010 0.000 2.720 52 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 52 T C 2.022 176.734 174.700 0.019 0.000 1.037 52 T CA 1.649 63.760 62.100 0.018 0.000 1.144 52 T CB -0.461 68.426 68.868 0.031 0.000 0.864 52 T HN 0.147 nan 8.240 nan 0.000 0.444 53 T N 2.090 116.646 114.554 0.004 0.000 2.708 53 T HA 0.004 4.353 4.350 -0.000 0.000 0.266 53 T C 2.059 176.672 174.700 -0.144 0.000 1.037 53 T CA 1.127 63.170 62.100 -0.094 0.000 1.146 53 T CB -0.343 68.412 68.868 -0.188 0.000 0.865 53 T HN 0.319 nan 8.240 nan 0.000 0.435 54 M N 0.632 120.177 119.600 -0.092 0.000 2.159 54 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 54 M C 2.414 178.689 176.300 -0.042 0.000 1.063 54 M CA 1.482 56.740 55.300 -0.070 0.000 1.110 54 M CB -0.302 32.276 32.600 -0.035 0.000 1.374 54 M HN 0.130 nan 8.290 nan 0.000 0.411 55 K N 1.034 121.420 120.400 -0.023 0.000 2.002 55 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 55 K C 1.940 178.536 176.600 -0.006 0.000 1.048 55 K CA 1.318 57.600 56.287 -0.009 0.000 0.930 55 K CB -0.271 32.228 32.500 -0.001 0.000 0.714 55 K HN 0.304 nan 8.250 nan 0.000 0.438 56 L N 1.261 122.488 121.223 0.006 0.000 1.989 56 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 56 L C 2.299 179.176 176.870 0.013 0.000 1.071 56 L CA 1.313 56.176 54.840 0.037 0.000 0.749 56 L CB -0.270 41.856 42.059 0.112 0.000 0.890 56 L HN 0.309 nan 8.230 nan 0.000 0.431 57 L N -0.763 120.437 121.223 -0.038 0.000 2.012 57 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 57 L C 2.532 179.385 176.870 -0.028 0.000 1.073 57 L CA 2.044 56.858 54.840 -0.044 0.000 0.748 57 L CB -1.014 40.988 42.059 -0.096 0.000 0.891 57 L HN 0.318 nan 8.230 nan 0.000 0.431 58 T N -1.140 113.398 114.554 -0.027 0.000 2.720 58 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 58 T C 1.819 176.499 174.700 -0.032 0.000 1.037 58 T CA 1.567 63.653 62.100 -0.023 0.000 1.144 58 T CB -0.210 68.649 68.868 -0.015 0.000 0.864 58 T HN 0.400 nan 8.240 nan 0.000 0.444 59 Q N 0.382 120.165 119.800 -0.027 0.000 2.364 59 Q HA 0.021 4.360 4.340 -0.000 0.000 0.207 59 Q C 1.810 177.768 176.000 -0.070 0.000 0.970 59 Q CA 0.788 56.569 55.803 -0.036 0.000 0.888 59 Q CB -0.204 28.526 28.738 -0.014 0.000 0.951 59 Q HN 0.504 nan 8.270 nan 0.000 0.469 60 L N -0.689 120.489 121.223 -0.075 0.000 2.591 60 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 60 L C 1.007 177.761 176.870 -0.194 0.000 1.133 60 L CA 0.551 55.305 54.840 -0.145 0.000 0.880 60 L CB 0.213 42.219 42.059 -0.088 0.000 1.033 60 L HN 0.475 nan 8.230 nan 0.000 0.450 61 G N 0.196 108.923 108.800 -0.122 0.000 2.141 61 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.195 61 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.195 61 G C 0.108 174.975 174.900 -0.056 0.000 1.012 61 G CA -0.067 44.969 45.100 -0.106 0.000 0.696 61 G HN 0.214 nan 8.290 nan 0.000 0.508 62 T N 0.589 115.123 114.554 -0.033 0.000 2.907 62 T HA 0.552 4.902 4.350 -0.000 0.000 0.284 62 T C 0.273 174.978 174.700 0.008 0.000 1.004 62 T CA -0.293 61.808 62.100 0.002 0.000 1.063 62 T CB 1.567 70.440 68.868 0.009 0.000 0.992 62 T HN 0.268 nan 8.240 nan 0.000 0.483 63 K N 2.175 122.592 120.400 0.028 0.000 2.264 63 K HA 0.563 4.883 4.320 -0.000 0.000 0.277 63 K C -1.068 175.564 176.600 0.052 0.000 1.067 63 K CA -0.498 55.809 56.287 0.033 0.000 0.900 63 K CB 0.950 33.473 32.500 0.038 0.000 1.124 63 K HN 0.260 nan 8.250 nan 0.000 0.469 64 V N 3.310 123.251 119.914 0.045 0.000 2.656 64 V HA 0.380 4.500 4.120 -0.000 0.000 0.307 64 V C -0.592 175.552 176.094 0.083 0.000 1.051 64 V CA -0.879 61.460 62.300 0.064 0.000 0.893 64 V CB 1.704 33.542 31.823 0.025 0.000 0.999 64 V HN 0.849 nan 8.190 nan 0.000 0.426 65 E N 4.325 124.615 120.200 0.150 0.000 2.335 65 E HA 0.750 5.100 4.350 -0.000 0.000 0.280 65 E C -1.064 175.734 176.600 0.330 0.000 0.918 65 E CA -1.200 55.303 56.400 0.171 0.000 0.765 65 E CB 2.780 32.542 29.700 0.103 0.000 1.218 65 E HN 0.762 nan 8.360 nan 0.000 0.425 66 R N 0.894 121.551 120.500 0.262 0.000 2.922 66 R HA 0.466 4.806 4.340 -0.000 0.000 0.256 66 R C -0.498 175.979 176.300 0.295 0.000 1.138 66 R CA -0.471 55.813 56.100 0.307 0.000 0.995 66 R CB 0.645 31.016 30.300 0.118 0.000 1.226 66 R HN 0.523 nan 8.270 nan 0.000 0.481 67 D N 0.151 120.713 120.400 0.271 0.000 2.256 67 D HA 0.072 4.712 4.640 -0.000 0.000 0.279 67 D C 1.411 177.777 176.300 0.109 0.000 1.209 67 D CA 0.812 54.935 54.000 0.204 0.000 0.946 67 D CB -1.035 39.897 40.800 0.221 0.000 0.914 67 D HN 0.616 nan 8.370 nan 0.000 0.278 68 G N -1.073 107.770 108.800 0.072 0.000 2.744 68 G HA2 0.185 4.144 3.960 -0.000 0.000 0.211 68 G HA3 0.185 4.144 3.960 -0.000 0.000 0.211 68 G C 0.436 175.266 174.900 -0.117 0.000 1.146 68 G CA 0.195 45.288 45.100 -0.012 0.000 0.787 68 G HN 0.357 nan 8.290 nan 0.000 0.534 69 S N -1.165 114.383 115.700 -0.252 0.000 2.704 69 S HA 0.663 5.133 4.470 -0.000 0.000 0.305 69 S C -0.877 173.367 174.600 -0.594 0.000 1.107 69 S CA -0.502 57.350 58.200 -0.581 0.000 0.993 69 S CB 2.471 65.014 63.200 -1.095 0.000 1.110 69 S HN -0.054 nan 8.310 nan 0.000 0.534 70 V N 1.881 121.454 119.914 -0.569 0.000 2.444 70 V HA 0.357 4.476 4.120 -0.000 0.000 0.294 70 V C -1.055 174.838 176.094 -0.335 0.000 1.022 70 V CA -0.612 61.523 62.300 -0.274 0.000 0.850 70 V CB 1.116 32.845 31.823 -0.158 0.000 0.992 70 V HN 0.781 nan 8.190 nan 0.000 0.426 71 W N 5.518 126.818 121.300 -0.000 0.000 2.361 71 W HA 0.565 5.224 4.660 -0.001 0.000 0.309 71 W C -0.733 175.792 176.519 0.011 0.000 1.122 71 W CA -0.583 56.770 57.345 0.013 0.000 1.208 71 W CB 1.606 31.074 29.460 0.013 0.000 1.246 71 W HN 0.300 nan 8.180 nan 0.000 0.490 72 I N 3.212 123.888 120.570 0.176 0.000 2.474 72 I HA 0.157 4.327 4.170 -0.000 0.000 0.294 72 I C -0.506 175.690 176.117 0.131 0.000 1.005 72 I CA -0.574 60.800 61.300 0.122 0.000 1.113 72 I CB 1.874 39.918 38.000 0.073 0.000 1.289 72 I HN 0.281 nan 8.210 nan 0.000 0.436 73 D N 4.885 125.349 120.400 0.107 0.000 2.389 73 D HA 0.526 5.166 4.640 -0.000 0.000 0.256 73 D C 0.136 176.488 176.300 0.087 0.000 1.239 73 D CA -0.289 53.769 54.000 0.096 0.000 0.925 73 D CB 1.613 42.464 40.800 0.084 0.000 1.145 73 D HN 0.604 nan 8.370 nan 0.000 0.542 74 A N 2.286 125.168 122.820 0.103 0.000 2.387 74 A HA 0.092 4.412 4.320 -0.000 0.000 0.234 74 A C 1.851 179.528 177.584 0.154 0.000 1.253 74 A CA 0.531 52.643 52.037 0.125 0.000 0.894 74 A CB -0.187 18.906 19.000 0.155 0.000 0.963 74 A HN 0.482 nan 8.150 nan 0.000 0.508 75 S N 0.256 116.029 115.700 0.121 0.000 2.462 75 S HA -0.143 4.327 4.470 -0.000 0.000 0.243 75 S C 1.159 175.844 174.600 0.141 0.000 1.003 75 S CA 1.569 59.841 58.200 0.121 0.000 0.970 75 S CB -0.346 62.904 63.200 0.083 0.000 0.762 75 S HN 0.502 nan 8.310 nan 0.000 0.510 76 N N 0.934 119.704 118.700 0.117 0.000 2.282 76 N HA 0.225 4.965 4.740 -0.000 0.000 0.240 76 N C -0.730 174.809 175.510 0.047 0.000 1.182 76 N CA -0.093 53.012 53.050 0.091 0.000 0.874 76 N CB 0.940 39.455 38.487 0.047 0.000 1.126 76 N HN 0.193 nan 8.380 nan 0.000 0.516 77 V N 3.199 123.153 119.914 0.068 0.000 2.625 77 V HA -0.087 4.033 4.120 -0.000 0.000 0.305 77 V C 1.496 177.392 176.094 -0.330 0.000 1.055 77 V CA 0.612 62.825 62.300 -0.144 0.000 1.209 77 V CB 0.302 32.019 31.823 -0.177 0.000 0.877 77 V HN 0.497 nan 8.190 nan 0.000 0.489 78 N N 3.225 121.650 118.700 -0.458 0.000 2.360 78 N HA 0.043 4.783 4.740 -0.000 0.000 0.211 78 N C 0.449 175.337 175.510 -1.037 0.000 1.147 78 N CA -0.244 52.485 53.050 -0.535 0.000 0.866 78 N CB 0.439 38.780 38.487 -0.245 0.000 1.206 78 N HN 0.595 nan 8.380 nan 0.000 0.478 79 N N -0.195 117.937 118.700 -0.946 0.000 2.466 79 N HA 0.346 5.085 4.740 -0.000 0.000 0.294 79 N C -1.359 173.472 175.510 -1.133 0.000 1.129 79 N CA -0.542 51.983 53.050 -0.874 0.000 0.931 79 N CB 0.794 39.052 38.487 -0.381 0.000 1.193 79 N HN -0.002 nan 8.380 nan 0.000 0.500 80 F N -0.115 119.780 119.950 -0.092 0.000 2.835 80 F HA 0.378 4.905 4.527 -0.000 0.000 0.342 80 F C 0.491 176.292 175.800 0.001 0.000 1.202 80 F CA -0.566 57.396 58.000 -0.063 0.000 1.240 80 F CB 0.124 39.085 39.000 -0.064 0.000 1.005 80 F HN 0.260 nan 8.300 nan 0.000 0.507 81 S N 1.056 116.803 115.700 0.078 0.000 2.566 81 S HA 0.874 5.344 4.470 -0.000 0.000 0.298 81 S C -0.597 174.074 174.600 0.119 0.000 1.083 81 S CA -0.415 57.845 58.200 0.101 0.000 0.978 81 S CB 1.522 64.742 63.200 0.034 0.000 1.073 81 S HN 0.195 nan 8.310 nan 0.000 0.491 82 A N 5.212 128.142 122.820 0.184 0.000 2.431 82 A HA 0.630 4.950 4.320 -0.000 0.000 0.318 82 A C -2.622 175.113 177.584 0.251 0.000 1.330 82 A CA -1.759 50.385 52.037 0.179 0.000 0.804 82 A CB 0.344 19.438 19.000 0.157 0.000 1.135 82 A HN 0.676 nan 8.150 nan 0.000 0.483 83 P HA -0.149 nan 4.420 nan 0.000 0.267 83 P C 0.310 177.750 177.300 0.233 0.000 1.201 83 P CA 0.306 63.583 63.100 0.296 0.000 0.775 83 P CB 0.630 32.433 31.700 0.171 0.000 0.854 84 Y N 3.385 123.765 120.300 0.133 0.000 2.049 84 Y HA -0.263 4.287 4.550 -0.000 0.000 0.277 84 Y C 2.076 177.966 175.900 -0.017 0.000 1.143 84 Y CA 2.657 60.730 58.100 -0.046 0.000 1.115 84 Y CB -0.997 37.430 38.460 -0.055 0.000 0.975 84 Y HN 0.382 nan 8.280 nan 0.000 0.487 85 D N 0.064 120.461 120.400 -0.006 0.000 2.393 85 D HA -0.231 4.409 4.640 -0.000 0.000 0.220 85 D C 1.989 178.201 176.300 -0.146 0.000 0.974 85 D CA 1.250 55.168 54.000 -0.137 0.000 0.931 85 D CB -0.601 40.225 40.800 0.044 0.000 0.889 85 D HN 0.542 nan 8.370 nan 0.000 0.512 86 L N 0.377 121.544 121.223 -0.093 0.000 2.269 86 L HA -0.021 4.319 4.340 -0.000 0.000 0.200 86 L C 2.467 179.284 176.870 -0.090 0.000 1.069 86 L CA 0.402 55.208 54.840 -0.057 0.000 0.804 86 L CB 0.100 42.167 42.059 0.013 0.000 0.987 86 L HN 0.012 nan 8.230 nan 0.000 0.468 87 V N -0.733 119.113 119.914 -0.113 0.000 2.809 87 V HA -0.194 3.925 4.120 -0.000 0.000 0.256 87 V C 2.223 178.194 176.094 -0.205 0.000 1.080 87 V CA 1.685 63.909 62.300 -0.127 0.000 1.102 87 V CB -0.849 30.906 31.823 -0.113 0.000 0.705 87 V HN 0.612 nan 8.190 nan 0.000 0.475 88 K N 1.672 121.865 120.400 -0.346 0.000 2.442 88 K HA -0.086 4.234 4.320 -0.000 0.000 0.198 88 K C 1.731 178.200 176.600 -0.218 0.000 1.042 88 K CA 1.663 57.722 56.287 -0.380 0.000 0.958 88 K CB -0.656 31.434 32.500 -0.683 0.000 0.766 88 K HN 0.658 nan 8.250 nan 0.000 0.474 89 T N -2.229 112.225 114.554 -0.166 0.000 3.022 89 T HA 0.202 4.551 4.350 -0.000 0.000 0.250 89 T C 0.549 175.211 174.700 -0.063 0.000 1.060 89 T CA -0.425 61.613 62.100 -0.103 0.000 1.013 89 T CB 0.058 68.873 68.868 -0.089 0.000 0.982 89 T HN 0.257 nan 8.240 nan 0.000 0.508 90 M N 2.208 121.766 119.600 -0.069 0.000 2.356 90 M HA 0.330 4.810 4.480 -0.000 0.000 0.215 90 M C 0.595 176.842 176.300 -0.088 0.000 0.978 90 M CA -0.630 54.643 55.300 -0.045 0.000 0.972 90 M CB 1.377 33.988 32.600 0.017 0.000 2.529 90 M HN 0.140 nan 8.290 nan 0.000 0.447 91 R N 2.209 122.629 120.500 -0.132 0.000 2.237 91 R HA 0.038 4.378 4.340 -0.000 0.000 0.219 91 R C 1.025 177.139 176.300 -0.310 0.000 1.080 91 R CA 1.563 57.542 56.100 -0.200 0.000 0.995 91 R CB -0.340 29.844 30.300 -0.194 0.000 0.875 91 R HN 0.662 nan 8.270 nan 0.000 0.462 92 A N 1.147 123.789 122.820 -0.296 0.000 2.216 92 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 92 A C 1.931 179.225 177.584 -0.483 0.000 1.160 92 A CA 1.137 52.881 52.037 -0.488 0.000 0.725 92 A CB -0.328 18.555 19.000 -0.194 0.000 0.784 92 A HN 0.443 nan 8.150 nan 0.000 0.472 93 S N -0.218 115.323 115.700 -0.266 0.000 2.442 93 S HA -0.159 4.310 4.470 -0.000 0.000 0.236 93 S C 1.659 176.022 174.600 -0.395 0.000 1.007 93 S CA 1.172 59.240 58.200 -0.220 0.000 0.965 93 S CB -0.415 62.784 63.200 -0.002 0.000 0.773 93 S HN 0.611 nan 8.310 nan 0.000 0.504 94 I N 0.995 121.316 120.570 -0.414 0.000 2.399 94 I HA -0.130 4.040 4.170 -0.000 0.000 0.254 94 I C 1.359 177.314 176.117 -0.271 0.000 1.146 94 I CA 0.939 62.025 61.300 -0.358 0.000 1.412 94 I CB -0.383 37.307 38.000 -0.516 0.000 1.076 94 I HN 0.380 nan 8.210 nan 0.000 0.432 95 W N 0.456 121.441 121.300 -0.525 0.000 2.848 95 W HA 0.087 4.747 4.660 -0.000 0.000 0.241 95 W C 2.289 178.602 176.519 -0.343 0.000 1.289 95 W CA 0.731 57.806 57.345 -0.451 0.000 1.396 95 W CB -1.139 27.979 29.460 -0.571 0.000 1.138 95 W HN 0.314 nan 8.180 nan 0.000 0.677 96 A N -0.453 122.296 122.820 -0.118 0.000 1.975 96 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 96 A C 1.944 179.649 177.584 0.201 0.000 1.170 96 A CA 0.679 52.844 52.037 0.214 0.000 0.656 96 A CB -0.613 18.573 19.000 0.311 0.000 0.821 96 A HN 0.116 nan 8.150 nan 0.000 0.449 97 L N 0.447 121.750 121.223 0.134 0.000 1.990 97 L HA -0.124 4.215 4.340 -0.000 0.000 0.213 97 L C 2.439 179.401 176.870 0.155 0.000 1.072 97 L CA 2.447 57.369 54.840 0.138 0.000 0.755 97 L CB -1.108 41.011 42.059 0.099 0.000 0.889 97 L HN 0.332 nan 8.230 nan 0.000 0.432 98 G N -0.764 108.135 108.800 0.165 0.000 2.545 98 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 98 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 98 G C -0.594 174.392 174.900 0.144 0.000 1.218 98 G CA 1.085 46.275 45.100 0.149 0.000 0.787 98 G HN 0.387 nan 8.290 nan 0.000 0.571 99 P HA -0.050 nan 4.420 nan 0.000 0.215 99 P C 2.158 179.600 177.300 0.237 0.000 1.153 99 P CA 0.753 63.964 63.100 0.185 0.000 0.853 99 P CB -0.133 31.705 31.700 0.230 0.000 0.788 100 L N -0.589 120.810 121.223 0.293 0.000 1.989 100 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 100 L C 2.509 179.542 176.870 0.272 0.000 1.071 100 L CA 1.904 56.975 54.840 0.385 0.000 0.749 100 L CB -1.413 40.844 42.059 0.330 0.000 0.890 100 L HN -0.025 nan 8.230 nan 0.000 0.431 101 V N -2.515 117.490 119.914 0.153 0.000 2.548 101 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 101 V C 2.483 178.602 176.094 0.042 0.000 1.055 101 V CA 1.458 63.803 62.300 0.074 0.000 1.065 101 V CB -0.810 31.044 31.823 0.053 0.000 0.681 101 V HN 0.301 nan 8.190 nan 0.000 0.462 102 A N 0.446 123.296 122.820 0.049 0.000 1.969 102 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 102 A C 2.517 180.067 177.584 -0.057 0.000 1.169 102 A CA 1.931 53.969 52.037 0.001 0.000 0.635 102 A CB -0.508 18.499 19.000 0.012 0.000 0.810 102 A HN 0.637 nan 8.150 nan 0.000 0.445 103 R N -2.426 118.025 120.500 -0.081 0.000 2.146 103 R HA 0.171 4.511 4.340 -0.000 0.000 0.206 103 R C 0.514 176.490 176.300 -0.540 0.000 1.049 103 R CA 0.646 56.545 56.100 -0.335 0.000 1.029 103 R CB 0.069 30.088 30.300 -0.468 0.000 0.949 103 R HN 0.442 nan 8.270 nan 0.000 0.471 104 F N -0.470 119.445 119.950 -0.058 0.000 2.661 104 F HA 0.404 4.930 4.527 -0.000 0.000 0.306 104 F C 1.286 176.936 175.800 -0.250 0.000 1.094 104 F CA 0.328 58.221 58.000 -0.178 0.000 1.254 104 F CB 1.386 40.181 39.000 -0.341 0.000 1.040 104 F HN 0.253 nan 8.300 nan 0.000 0.562 105 G N 1.076 109.854 108.800 -0.037 0.000 2.196 105 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.268 105 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.268 105 G C 0.123 174.979 174.900 -0.074 0.000 0.975 105 G CA 0.725 45.791 45.100 -0.056 0.000 0.648 105 G HN 0.534 nan 8.290 nan 0.000 0.538 106 Q N -1.900 117.832 119.800 -0.114 0.000 2.575 106 Q HA 0.677 5.017 4.340 -0.000 0.000 0.290 106 Q C -0.428 175.544 176.000 -0.047 0.000 0.963 106 Q CA -0.538 55.199 55.803 -0.110 0.000 0.783 106 Q CB 1.760 30.383 28.738 -0.192 0.000 1.467 106 Q HN 1.701 nan 8.270 nan 0.000 0.402 107 G N 0.923 109.749 108.800 0.043 0.000 2.429 107 G HA2 0.430 4.390 3.960 -0.000 0.000 0.300 107 G HA3 0.430 4.390 3.960 -0.000 0.000 0.300 107 G C -2.213 172.766 174.900 0.130 0.000 1.598 107 G CA -0.554 44.629 45.100 0.138 0.000 0.863 107 G HN 0.804 nan 8.290 nan 0.000 0.614 108 Q N -0.458 119.439 119.800 0.160 0.000 2.268 108 Q HA 0.724 5.063 4.340 -0.000 0.000 0.266 108 Q C -1.488 174.644 176.000 0.220 0.000 1.006 108 Q CA -1.117 54.787 55.803 0.168 0.000 0.824 108 Q CB 2.813 31.635 28.738 0.140 0.000 1.306 108 Q HN 0.553 nan 8.270 nan 0.000 0.424 109 V N 1.287 121.325 119.914 0.207 0.000 2.735 109 V HA 0.471 4.591 4.120 -0.000 0.000 0.310 109 V C -0.110 176.052 176.094 0.114 0.000 1.061 109 V CA -0.826 61.575 62.300 0.169 0.000 0.913 109 V CB 1.972 33.832 31.823 0.062 0.000 1.005 109 V HN 0.907 nan 8.190 nan 0.000 0.428 110 S N 3.953 119.645 115.700 -0.014 0.000 2.537 110 S HA 0.209 4.679 4.470 -0.000 0.000 0.286 110 S C -0.082 174.410 174.600 -0.180 0.000 1.299 110 S CA -0.381 57.591 58.200 -0.379 0.000 1.067 110 S CB 0.010 62.974 63.200 -0.394 0.000 0.864 110 S HN 0.647 nan 8.310 nan 0.000 0.494 111 L N 8.013 129.137 121.223 -0.165 0.000 2.530 111 L HA 0.242 4.582 4.340 -0.000 0.000 0.273 111 L C -1.669 175.149 176.870 -0.086 0.000 1.141 111 L CA -1.500 53.282 54.840 -0.097 0.000 0.905 111 L CB 0.492 42.513 42.059 -0.064 0.000 1.202 111 L HN 0.597 nan 8.230 nan 0.000 0.473 112 P HA 0.088 nan 4.420 nan 0.000 0.268 112 P C -0.000 177.264 177.300 -0.060 0.000 1.205 112 P CA -0.212 62.830 63.100 -0.098 0.000 0.771 112 P CB 0.982 32.598 31.700 -0.141 0.000 0.858 113 G N 1.926 110.704 108.800 -0.036 0.000 2.504 113 G HA2 0.468 4.427 3.960 -0.000 0.000 0.257 113 G HA3 0.468 4.427 3.960 -0.000 0.000 0.257 113 G C 0.239 175.123 174.900 -0.026 0.000 1.451 113 G CA -0.414 44.677 45.100 -0.014 0.000 1.059 113 G HN 0.623 nan 8.290 nan 0.000 0.550 114 G N -2.098 106.694 108.800 -0.013 0.000 2.569 114 G HA2 0.400 4.360 3.960 -0.000 0.000 0.249 114 G HA3 0.400 4.360 3.960 -0.000 0.000 0.249 114 G C -0.334 174.551 174.900 -0.024 0.000 1.216 114 G CA 0.110 45.201 45.100 -0.014 0.000 0.845 114 G HN 0.700 nan 8.290 nan 0.000 0.568 115 C N 0.306 119.588 119.300 -0.030 0.000 2.630 115 C HA 0.713 5.173 4.460 -0.000 0.000 0.346 115 C C 1.960 176.924 174.990 -0.044 0.000 1.245 115 C CA 0.254 59.243 59.018 -0.048 0.000 1.804 115 C CB 1.227 28.917 27.740 -0.084 0.000 2.279 115 C HN 1.023 nan 8.230 nan 0.000 0.498 116 A N 1.611 124.399 122.820 -0.053 0.000 1.877 116 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 116 A C 1.696 179.238 177.584 -0.071 0.000 1.186 116 A CA 2.112 54.120 52.037 -0.050 0.000 0.620 116 A CB -0.709 18.258 19.000 -0.055 0.000 0.822 116 A HN 1.068 nan 8.150 nan 0.000 0.443 117 I N -4.149 116.342 120.570 -0.131 0.000 3.564 117 I HA 0.462 4.631 4.170 -0.000 0.000 0.294 117 I C 0.733 176.815 176.117 -0.058 0.000 1.289 117 I CA 0.448 61.660 61.300 -0.148 0.000 1.325 117 I CB -0.359 37.443 38.000 -0.330 0.000 1.039 117 I HN 0.289 nan 8.210 nan 0.000 0.474 118 G N -0.114 108.675 108.800 -0.018 0.000 2.340 118 G HA2 0.414 4.373 3.960 -0.000 0.000 0.298 118 G HA3 0.414 4.373 3.960 -0.000 0.000 0.298 118 G C 0.063 174.994 174.900 0.051 0.000 1.498 118 G CA -0.281 44.865 45.100 0.077 0.000 0.847 118 G HN 0.033 nan 8.290 nan 0.000 0.594 119 A N 0.126 122.976 122.820 0.051 0.000 1.972 119 A HA 0.213 4.532 4.320 -0.000 0.000 0.219 119 A C 1.578 179.180 177.584 0.031 0.000 1.169 119 A CA 1.796 53.849 52.037 0.026 0.000 0.635 119 A CB -0.543 18.468 19.000 0.018 0.000 0.810 119 A HN 1.460 nan 8.150 nan 0.000 0.446 120 R N -1.133 119.412 120.500 0.075 0.000 3.127 120 R HA -0.121 4.219 4.340 -0.000 0.000 0.247 120 R C -2.323 173.990 176.300 0.021 0.000 0.896 120 R CA 0.408 56.559 56.100 0.084 0.000 0.624 120 R CB -2.021 28.329 30.300 0.084 0.000 1.154 120 R HN 0.553 nan 8.270 nan 0.000 0.474 121 P HA 0.019 nan 4.420 nan 0.000 0.271 121 P C 0.187 177.493 177.300 0.010 0.000 1.244 121 P CA -0.219 62.883 63.100 0.003 0.000 0.793 121 P CB 0.991 32.696 31.700 0.008 0.000 0.984 122 V N 0.811 120.725 119.914 0.001 0.000 3.070 122 V HA -0.010 4.110 4.120 -0.000 0.000 0.345 122 V C 1.653 177.824 176.094 0.128 0.000 1.403 122 V CA 0.161 62.471 62.300 0.018 0.000 1.155 122 V CB -0.544 31.158 31.823 -0.202 0.000 1.140 122 V HN 0.620 nan 8.190 nan 0.000 0.505 123 D N 0.420 120.879 120.400 0.099 0.000 2.133 123 D HA -0.275 4.365 4.640 -0.000 0.000 0.195 123 D C 1.789 178.188 176.300 0.166 0.000 0.997 123 D CA 1.587 55.650 54.000 0.106 0.000 0.840 123 D CB -0.121 40.710 40.800 0.050 0.000 0.947 123 D HN 0.508 nan 8.370 nan 0.000 0.452 124 L N 0.023 121.336 121.223 0.150 0.000 2.131 124 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 124 L C 2.855 179.849 176.870 0.208 0.000 1.092 124 L CA 1.002 55.933 54.840 0.153 0.000 0.759 124 L CB -0.690 41.394 42.059 0.042 0.000 0.903 124 L HN 0.142 nan 8.230 nan 0.000 0.435 125 H N 0.054 119.194 119.070 0.117 0.000 2.293 125 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 125 H C 2.461 177.853 175.328 0.106 0.000 1.082 125 H CA 1.886 57.998 56.048 0.107 0.000 1.308 125 H CB 0.035 29.835 29.762 0.063 0.000 1.375 125 H HN 0.325 nan 8.280 nan 0.000 0.495 126 I N 0.355 121.073 120.570 0.246 0.000 2.179 126 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 126 I C 2.574 178.778 176.117 0.146 0.000 1.088 126 I CA 1.163 62.559 61.300 0.159 0.000 1.357 126 I CB -0.393 37.685 38.000 0.130 0.000 1.051 126 I HN 0.082 nan 8.210 nan 0.000 0.409 127 F N 1.945 121.925 119.950 0.050 0.000 2.120 127 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 127 F C 2.258 178.073 175.800 0.025 0.000 1.095 127 F CA 1.811 59.828 58.000 0.029 0.000 1.249 127 F CB -0.831 38.179 39.000 0.018 0.000 0.995 127 F HN -0.007 nan 8.300 nan 0.000 0.480 128 G N 0.842 109.648 108.800 0.008 0.000 2.421 128 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 128 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 128 G C 1.770 176.594 174.900 -0.126 0.000 1.171 128 G CA 1.054 46.089 45.100 -0.108 0.000 0.775 128 G HN 0.450 nan 8.290 nan 0.000 0.543 129 L N 0.043 121.245 121.223 -0.034 0.000 2.046 129 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 129 L C 2.883 179.712 176.870 -0.067 0.000 1.077 129 L CA 1.190 56.017 54.840 -0.021 0.000 0.747 129 L CB -0.436 41.643 42.059 0.034 0.000 0.896 129 L HN 0.300 nan 8.230 nan 0.000 0.432 130 E N -0.017 120.125 120.200 -0.097 0.000 2.077 130 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 130 E C 2.105 178.602 176.600 -0.171 0.000 0.989 130 E CA 0.853 57.186 56.400 -0.111 0.000 0.800 130 E CB 0.079 29.720 29.700 -0.098 0.000 0.746 130 E HN 0.294 nan 8.360 nan 0.000 0.452 131 K N 0.410 120.629 120.400 -0.302 0.000 2.280 131 K HA -0.076 4.243 4.320 -0.000 0.000 0.202 131 K C 1.855 178.362 176.600 -0.154 0.000 1.047 131 K CA 0.662 56.774 56.287 -0.292 0.000 0.942 131 K CB 0.005 32.225 32.500 -0.468 0.000 0.739 131 K HN 0.243 nan 8.250 nan 0.000 0.457 132 L N -0.453 120.698 121.223 -0.119 0.000 2.591 132 L HA 0.061 4.400 4.340 -0.000 0.000 0.228 132 L C 1.163 178.002 176.870 -0.053 0.000 1.133 132 L CA 0.460 55.259 54.840 -0.068 0.000 0.880 132 L CB 0.038 42.068 42.059 -0.048 0.000 1.033 132 L HN 0.377 nan 8.230 nan 0.000 0.450 133 G N -0.456 108.309 108.800 -0.059 0.000 2.201 133 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.212 133 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.212 133 G C 0.395 175.276 174.900 -0.031 0.000 0.994 133 G CA -0.148 44.927 45.100 -0.042 0.000 0.644 133 G HN 0.412 nan 8.290 nan 0.000 0.508 134 A N 0.197 123.000 122.820 -0.029 0.000 2.407 134 A HA 0.626 4.946 4.320 -0.000 0.000 0.248 134 A C 0.319 177.896 177.584 -0.011 0.000 1.082 134 A CA 0.710 52.739 52.037 -0.013 0.000 0.785 134 A CB 0.514 19.513 19.000 -0.001 0.000 1.020 134 A HN 0.594 nan 8.150 nan 0.000 0.489 135 E N 1.320 121.519 120.200 -0.002 0.000 2.151 135 E HA 0.572 4.921 4.350 -0.000 0.000 0.275 135 E C -1.399 175.210 176.600 0.015 0.000 0.936 135 E CA -0.325 56.078 56.400 0.004 0.000 0.777 135 E CB 0.690 30.392 29.700 0.003 0.000 1.108 135 E HN 0.552 nan 8.360 nan 0.000 0.401 136 I N 4.660 125.242 120.570 0.021 0.000 2.509 136 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 136 I C -0.490 175.649 176.117 0.035 0.000 1.020 136 I CA -0.626 60.694 61.300 0.033 0.000 1.088 136 I CB 1.796 39.821 38.000 0.042 0.000 1.267 136 I HN 0.475 nan 8.210 nan 0.000 0.430 137 K N 5.942 126.367 120.400 0.041 0.000 2.480 137 K HA 0.639 4.958 4.320 -0.000 0.000 0.258 137 K C -1.706 174.924 176.600 0.050 0.000 0.990 137 K CA -0.916 55.395 56.287 0.040 0.000 0.857 137 K CB 2.662 35.182 32.500 0.034 0.000 1.384 137 K HN 0.424 nan 8.250 nan 0.000 0.446 138 L N 2.931 124.182 121.223 0.047 0.000 2.353 138 L HA 0.355 4.695 4.340 -0.000 0.000 0.270 138 L C -1.213 175.691 176.870 0.057 0.000 1.003 138 L CA -0.057 54.815 54.840 0.053 0.000 0.862 138 L CB 0.846 42.927 42.059 0.037 0.000 1.221 138 L HN 1.003 nan 8.230 nan 0.000 0.430 139 E N 3.801 124.050 120.200 0.083 0.000 2.234 139 E HA 0.352 4.702 4.350 -0.000 0.000 0.266 139 E C -0.434 176.243 176.600 0.129 0.000 0.877 139 E CA -0.622 55.826 56.400 0.079 0.000 0.758 139 E CB 1.313 31.047 29.700 0.057 0.000 1.170 139 E HN 0.579 nan 8.360 nan 0.000 0.415 140 E N 1.810 122.067 120.200 0.095 0.000 2.360 140 E HA -0.317 4.033 4.350 -0.000 0.000 0.238 140 E C 0.694 177.389 176.600 0.159 0.000 1.186 140 E CA 0.561 57.029 56.400 0.113 0.000 0.719 140 E CB -2.496 27.278 29.700 0.123 0.000 1.236 140 E HN 1.335 nan 8.360 nan 0.000 0.386 141 G N -0.998 107.836 108.800 0.055 0.000 2.184 141 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.264 141 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.264 141 G C -0.172 174.630 174.900 -0.164 0.000 0.975 141 G CA 0.686 45.742 45.100 -0.073 0.000 0.642 141 G HN 0.455 nan 8.290 nan 0.000 0.536 142 Y N -0.928 119.383 120.300 0.019 0.000 2.377 142 Y HA 0.560 5.110 4.550 -0.000 0.000 0.339 142 Y C 0.452 176.368 175.900 0.026 0.000 1.011 142 Y CA -0.759 57.360 58.100 0.032 0.000 1.093 142 Y CB 2.181 40.663 38.460 0.036 0.000 1.201 142 Y HN 0.291 nan 8.280 nan 0.000 0.455 143 V N 5.317 125.318 119.914 0.145 0.000 2.389 143 V HA 0.375 4.495 4.120 -0.000 0.000 0.264 143 V C -0.770 175.398 176.094 0.124 0.000 1.049 143 V CA -0.556 61.804 62.300 0.100 0.000 0.932 143 V CB 0.012 31.867 31.823 0.054 0.000 1.011 143 V HN 0.717 nan 8.190 nan 0.000 0.475 144 K N 6.370 126.833 120.400 0.105 0.000 2.265 144 K HA 0.782 5.102 4.320 -0.000 0.000 0.267 144 K C -0.384 176.253 176.600 0.063 0.000 0.994 144 K CA -0.249 56.091 56.287 0.088 0.000 0.860 144 K CB 1.969 34.512 32.500 0.072 0.000 1.099 144 K HN 0.831 nan 8.250 nan 0.000 0.448 145 A N 1.854 124.711 122.820 0.060 0.000 2.355 145 A HA 0.748 5.068 4.320 -0.000 0.000 0.324 145 A C -0.622 176.978 177.584 0.026 0.000 1.117 145 A CA -0.610 51.453 52.037 0.044 0.000 0.785 145 A CB 1.234 20.266 19.000 0.053 0.000 1.254 145 A HN 0.714 nan 8.150 nan 0.000 0.453 146 S N -0.238 115.470 115.700 0.013 0.000 2.596 146 S HA 0.795 5.264 4.470 -0.000 0.000 0.270 146 S C -1.302 173.294 174.600 -0.008 0.000 1.155 146 S CA -0.448 57.749 58.200 -0.005 0.000 0.827 146 S CB 1.329 64.524 63.200 -0.008 0.000 1.130 146 S HN 2.155 nan 8.310 nan 0.000 0.467 147 V N 0.846 120.750 119.914 -0.018 0.000 2.924 147 V HA 0.505 4.625 4.120 -0.000 0.000 0.300 147 V C -1.627 174.453 176.094 -0.024 0.000 1.227 147 V CA -0.783 61.506 62.300 -0.019 0.000 0.954 147 V CB 1.996 33.807 31.823 -0.019 0.000 1.055 147 V HN 1.071 nan 8.190 nan 0.000 0.429 148 N N 4.900 123.588 118.700 -0.020 0.000 2.402 148 N HA 0.531 5.271 4.740 -0.000 0.000 0.259 148 N C 0.522 176.018 175.510 -0.023 0.000 1.167 148 N CA 0.866 53.904 53.050 -0.020 0.000 0.949 148 N CB 0.802 39.280 38.487 -0.016 0.000 1.212 148 N HN 1.339 nan 8.380 nan 0.000 0.493 149 G N 2.061 110.844 108.800 -0.027 0.000 2.525 149 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.248 149 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.248 149 G C -0.359 174.519 174.900 -0.036 0.000 1.238 149 G CA -0.607 44.475 45.100 -0.031 0.000 0.926 149 G HN 0.510 nan 8.290 nan 0.000 0.574 150 R N -0.566 119.912 120.500 -0.037 0.000 2.577 150 R HA 0.590 4.930 4.340 -0.000 0.000 0.269 150 R C 0.588 176.868 176.300 -0.033 0.000 1.084 150 R CA -0.646 55.431 56.100 -0.040 0.000 1.163 150 R CB 0.406 30.681 30.300 -0.042 0.000 1.100 150 R HN 0.457 nan 8.270 nan 0.000 0.547 151 L N 1.368 122.572 121.223 -0.033 0.000 2.453 151 L HA 0.246 4.585 4.340 -0.000 0.000 0.261 151 L C 0.182 177.034 176.870 -0.029 0.000 1.179 151 L CA -0.098 54.725 54.840 -0.029 0.000 0.813 151 L CB 0.382 42.425 42.059 -0.026 0.000 1.110 151 L HN 0.329 nan 8.230 nan 0.000 0.466 152 K N 0.463 120.846 120.400 -0.029 0.000 2.244 152 K HA 0.405 4.724 4.320 -0.000 0.000 0.260 152 K C 0.028 176.612 176.600 -0.027 0.000 0.951 152 K CA -0.508 55.763 56.287 -0.027 0.000 0.826 152 K CB 1.717 34.202 32.500 -0.025 0.000 1.108 152 K HN 0.683 nan 8.250 nan 0.000 0.433 153 G N 1.286 110.072 108.800 -0.024 0.000 2.474 153 G HA2 0.375 4.335 3.960 -0.000 0.000 0.233 153 G HA3 0.375 4.335 3.960 -0.000 0.000 0.233 153 G C -0.650 174.242 174.900 -0.014 0.000 1.278 153 G CA -0.062 45.025 45.100 -0.021 0.000 0.861 153 G HN 0.626 nan 8.290 nan 0.000 0.567 154 A N 1.124 123.943 122.820 -0.003 0.000 2.609 154 A HA 0.651 4.971 4.320 -0.000 0.000 0.291 154 A C -0.940 176.693 177.584 0.081 0.000 1.096 154 A CA -0.710 51.339 52.037 0.020 0.000 0.684 154 A CB 1.080 20.072 19.000 -0.013 0.000 1.282 154 A HN 0.951 nan 8.150 nan 0.000 0.412 155 H N 1.040 120.100 119.070 -0.017 0.000 2.690 155 H HA 0.602 5.157 4.556 -0.000 0.000 0.289 155 H C -1.008 174.327 175.328 0.012 0.000 1.089 155 H CA -0.447 55.600 56.048 -0.000 0.000 1.299 155 H CB 0.203 29.968 29.762 0.005 0.000 1.405 155 H HN 0.473 nan 8.280 nan 0.000 0.463 156 I N 6.286 126.954 120.570 0.164 0.000 2.362 156 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 156 I C -0.506 175.665 176.117 0.090 0.000 0.994 156 I CA -0.986 60.368 61.300 0.090 0.000 1.158 156 I CB 1.823 39.868 38.000 0.076 0.000 1.315 156 I HN 0.287 nan 8.210 nan 0.000 0.451 157 V N 6.652 126.609 119.914 0.072 0.000 2.350 157 V HA 0.341 4.461 4.120 -0.000 0.000 0.276 157 V C 0.360 176.496 176.094 0.069 0.000 1.028 157 V CA -0.604 61.711 62.300 0.025 0.000 0.860 157 V CB 1.357 33.145 31.823 -0.060 0.000 0.990 157 V HN 0.600 nan 8.190 nan 0.000 0.453 158 M N 5.037 124.662 119.600 0.041 0.000 2.143 158 M HA 0.254 4.734 4.480 -0.000 0.000 0.348 158 M C 0.309 176.569 176.300 -0.068 0.000 1.375 158 M CA -0.296 55.003 55.300 -0.002 0.000 1.124 158 M CB 0.649 33.259 32.600 0.016 0.000 1.669 158 M HN 0.728 nan 8.290 nan 0.000 0.469 159 D N 2.633 122.946 120.400 -0.144 0.000 2.881 159 D HA 0.224 4.864 4.640 -0.000 0.000 0.240 159 D C -0.242 175.991 176.300 -0.111 0.000 1.249 159 D CA -0.102 53.819 54.000 -0.130 0.000 0.839 159 D CB 0.336 41.034 40.800 -0.170 0.000 1.042 159 D HN 0.544 nan 8.370 nan 0.000 0.475 160 K N -0.135 120.214 120.400 -0.085 0.000 2.619 160 K HA 0.097 4.417 4.320 -0.000 0.000 0.279 160 K C -1.667 174.901 176.600 -0.054 0.000 1.071 160 K CA -0.523 55.720 56.287 -0.073 0.000 1.039 160 K CB 1.652 34.102 32.500 -0.083 0.000 1.392 160 K HN -0.127 nan 8.250 nan 0.000 0.427 161 V N 2.967 122.854 119.914 -0.046 0.000 2.446 161 V HA 0.187 4.307 4.120 -0.000 0.000 0.276 161 V C 0.122 176.197 176.094 -0.031 0.000 1.030 161 V CA 0.240 62.523 62.300 -0.028 0.000 1.033 161 V CB 0.968 32.779 31.823 -0.020 0.000 0.993 161 V HN 0.627 nan 8.190 nan 0.000 0.477 162 S N 4.310 120.001 115.700 -0.015 0.000 2.647 162 S HA 0.414 4.884 4.470 -0.000 0.000 0.300 162 S C 0.538 175.158 174.600 0.034 0.000 1.129 162 S CA -0.660 57.539 58.200 -0.001 0.000 1.029 162 S CB 1.894 65.084 63.200 -0.017 0.000 1.007 162 S HN 0.316 nan 8.310 nan 0.000 0.484 163 V N 5.466 125.428 119.914 0.080 0.000 2.261 163 V HA -0.007 4.113 4.120 -0.000 0.000 0.246 163 V C 2.693 178.926 176.094 0.232 0.000 1.047 163 V CA 2.540 64.921 62.300 0.136 0.000 1.015 163 V CB -1.306 30.619 31.823 0.170 0.000 0.642 163 V HN 0.955 nan 8.190 nan 0.000 0.446 164 G N -0.303 108.683 108.800 0.309 0.000 2.459 164 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 164 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 164 G C 1.791 176.786 174.900 0.159 0.000 1.183 164 G CA 1.194 46.611 45.100 0.527 0.000 0.776 164 G HN 0.618 nan 8.290 nan 0.000 0.552 165 A N 0.049 122.627 122.820 -0.404 0.000 1.940 165 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 165 A C 2.522 180.006 177.584 -0.168 0.000 1.176 165 A CA 2.520 54.170 52.037 -0.645 0.000 0.631 165 A CB -0.980 17.788 19.000 -0.387 0.000 0.814 165 A HN 0.320 nan 8.150 nan 0.000 0.446 166 T N -0.453 114.075 114.554 -0.043 0.000 2.788 166 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 166 T C 1.863 176.565 174.700 0.005 0.000 1.044 166 T CA 1.528 63.628 62.100 -0.001 0.000 1.139 166 T CB -0.362 68.516 68.868 0.016 0.000 0.867 166 T HN 0.173 nan 8.240 nan 0.000 0.454 167 V N 1.348 121.282 119.914 0.034 0.000 2.307 167 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 167 V C 2.795 178.878 176.094 -0.019 0.000 1.045 167 V CA 1.969 64.234 62.300 -0.059 0.000 1.024 167 V CB -1.111 30.558 31.823 -0.257 0.000 0.651 167 V HN 0.497 nan 8.190 nan 0.000 0.449 168 T N 0.455 115.090 114.554 0.136 0.000 2.652 168 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 168 T C 1.796 176.547 174.700 0.085 0.000 1.039 168 T CA 2.110 64.327 62.100 0.194 0.000 1.153 168 T CB -0.311 68.752 68.868 0.326 0.000 0.863 168 T HN 0.339 nan 8.240 nan 0.000 0.428 169 I N 0.680 121.275 120.570 0.042 0.000 2.179 169 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 169 I C 2.611 178.734 176.117 0.010 0.000 1.088 169 I CA 1.358 62.672 61.300 0.023 0.000 1.357 169 I CB -0.412 37.598 38.000 0.017 0.000 1.051 169 I HN 0.262 nan 8.210 nan 0.000 0.409 170 M N 0.338 119.937 119.600 -0.000 0.000 2.159 170 M HA -0.214 4.266 4.480 -0.000 0.000 0.263 170 M C 2.398 178.687 176.300 -0.019 0.000 1.063 170 M CA 1.855 57.147 55.300 -0.014 0.000 1.110 170 M CB -0.009 32.577 32.600 -0.025 0.000 1.374 170 M HN 0.117 nan 8.290 nan 0.000 0.411 171 S N 0.680 116.371 115.700 -0.015 0.000 2.355 171 S HA -0.042 4.428 4.470 -0.000 0.000 0.222 171 S C 2.019 176.624 174.600 0.007 0.000 1.031 171 S CA 1.286 59.481 58.200 -0.008 0.000 0.993 171 S CB -0.496 62.706 63.200 0.003 0.000 0.859 171 S HN 0.695 nan 8.310 nan 0.000 0.453 172 A N 1.444 124.278 122.820 0.023 0.000 1.933 172 A HA 0.132 4.451 4.320 -0.000 0.000 0.218 172 A C 2.286 179.869 177.584 -0.003 0.000 1.175 172 A CA 1.619 53.669 52.037 0.022 0.000 0.628 172 A CB -0.932 18.090 19.000 0.036 0.000 0.814 172 A HN 0.509 nan 8.150 nan 0.000 0.444 173 A N -0.091 122.724 122.820 -0.009 0.000 2.015 173 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 173 A C 2.348 179.914 177.584 -0.029 0.000 1.163 173 A CA 2.232 54.258 52.037 -0.019 0.000 0.646 173 A CB -1.366 17.624 19.000 -0.017 0.000 0.806 173 A HN 0.797 nan 8.150 nan 0.000 0.448 174 T N -1.741 112.793 114.554 -0.034 0.000 2.803 174 T HA -0.072 4.277 4.350 -0.000 0.000 0.269 174 T C 1.332 176.002 174.700 -0.051 0.000 1.052 174 T CA 1.535 63.606 62.100 -0.048 0.000 1.136 174 T CB -0.387 68.444 68.868 -0.061 0.000 0.864 174 T HN 0.324 nan 8.240 nan 0.000 0.467 175 L N 0.617 121.812 121.223 -0.047 0.000 2.700 175 L HA 0.533 4.873 4.340 -0.000 0.000 0.234 175 L C 1.341 178.182 176.870 -0.048 0.000 1.156 175 L CA -0.575 54.232 54.840 -0.055 0.000 0.946 175 L CB -0.335 41.684 42.059 -0.067 0.000 1.216 175 L HN 0.314 nan 8.230 nan 0.000 0.493 176 A N 0.280 123.076 122.820 -0.040 0.000 2.272 176 A HA 0.224 4.544 4.320 -0.000 0.000 0.275 176 A C 0.117 177.680 177.584 -0.036 0.000 1.096 176 A CA -0.240 51.776 52.037 -0.035 0.000 0.822 176 A CB 0.396 19.378 19.000 -0.030 0.000 1.088 176 A HN 0.255 nan 8.150 nan 0.000 0.495 177 E N -0.059 120.122 120.200 -0.033 0.000 2.044 177 E HA 0.466 4.816 4.350 -0.000 0.000 0.282 177 E C 0.470 177.053 176.600 -0.028 0.000 1.031 177 E CA 0.741 57.122 56.400 -0.031 0.000 0.824 177 E CB 0.173 29.856 29.700 -0.029 0.000 1.076 177 E HN 1.328 nan 8.360 nan 0.000 0.395 178 G N 2.664 111.447 108.800 -0.029 0.000 2.447 178 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.220 178 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.220 178 G C -0.571 174.311 174.900 -0.030 0.000 1.261 178 G CA -0.605 44.478 45.100 -0.028 0.000 1.000 178 G HN 0.455 nan 8.290 nan 0.000 0.515 179 T N 1.088 115.623 114.554 -0.032 0.000 2.824 179 T HA 0.709 5.059 4.350 -0.000 0.000 0.280 179 T C -0.036 174.643 174.700 -0.035 0.000 0.995 179 T CA 0.214 62.291 62.100 -0.037 0.000 1.009 179 T CB 1.548 70.388 68.868 -0.046 0.000 0.955 179 T HN 0.739 nan 8.240 nan 0.000 0.452 180 T N 3.510 118.046 114.554 -0.030 0.000 2.856 180 T HA 0.659 5.009 4.350 -0.000 0.000 0.283 180 T C -0.407 174.282 174.700 -0.017 0.000 1.008 180 T CA -0.520 61.570 62.100 -0.015 0.000 0.997 180 T CB 0.716 69.579 68.868 -0.009 0.000 0.992 180 T HN 0.409 nan 8.240 nan 0.000 0.454 181 I N 3.285 123.861 120.570 0.010 0.000 2.478 181 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 181 I C -0.708 175.489 176.117 0.134 0.000 1.042 181 I CA -0.768 60.545 61.300 0.022 0.000 1.067 181 I CB 1.792 39.715 38.000 -0.129 0.000 1.233 181 I HN 0.467 nan 8.210 nan 0.000 0.431 182 I N 5.889 126.513 120.570 0.090 0.000 2.307 182 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 182 I C 0.091 176.267 176.117 0.098 0.000 1.021 182 I CA -0.583 60.774 61.300 0.095 0.000 1.224 182 I CB 0.825 38.858 38.000 0.055 0.000 1.376 182 I HN 0.434 nan 8.210 nan 0.000 0.470 183 E N 4.969 125.236 120.200 0.113 0.000 2.301 183 E HA 0.113 4.463 4.350 -0.000 0.000 0.275 183 E C 0.161 176.789 176.600 0.046 0.000 1.030 183 E CA -0.340 56.110 56.400 0.084 0.000 0.852 183 E CB 1.036 30.772 29.700 0.061 0.000 1.060 183 E HN 0.552 nan 8.360 nan 0.000 0.401 184 N N 0.603 119.323 118.700 0.033 0.000 2.758 184 N HA -0.223 4.516 4.740 -0.000 0.000 0.248 184 N C -1.166 174.356 175.510 0.019 0.000 1.076 184 N CA 0.796 53.857 53.050 0.017 0.000 0.696 184 N CB -0.827 37.660 38.487 0.001 0.000 0.979 184 N HN 0.566 nan 8.380 nan 0.000 0.550 185 A N -0.058 122.779 122.820 0.027 0.000 2.332 185 A HA 0.720 5.040 4.320 -0.000 0.000 0.258 185 A C 0.873 178.472 177.584 0.025 0.000 1.087 185 A CA 0.112 52.165 52.037 0.026 0.000 0.802 185 A CB 0.396 19.413 19.000 0.028 0.000 1.042 185 A HN 0.872 nan 8.150 nan 0.000 0.489 186 A N 0.685 123.520 122.820 0.026 0.000 2.440 186 A HA 0.480 4.800 4.320 -0.000 0.000 0.251 186 A C 0.696 178.306 177.584 0.043 0.000 1.089 186 A CA -0.277 51.781 52.037 0.036 0.000 0.779 186 A CB 0.010 19.034 19.000 0.039 0.000 1.022 186 A HN 0.755 nan 8.150 nan 0.000 0.492 187 R N 0.666 121.208 120.500 0.069 0.000 2.427 187 R HA 0.171 4.511 4.340 -0.000 0.000 0.262 187 R C -0.369 175.990 176.300 0.098 0.000 0.943 187 R CA -0.079 56.077 56.100 0.093 0.000 1.081 187 R CB -0.006 30.370 30.300 0.126 0.000 1.166 187 R HN 0.767 nan 8.270 nan 0.000 0.534 188 E N 1.005 121.222 120.200 0.028 0.000 2.481 188 E HA -0.047 4.303 4.350 -0.000 0.000 0.263 188 E C -1.587 174.902 176.600 -0.185 0.000 0.992 188 E CA -1.128 55.185 56.400 -0.143 0.000 0.938 188 E CB 0.442 30.098 29.700 -0.073 0.000 0.933 188 E HN -0.064 nan 8.360 nan 0.000 0.453 189 P HA -0.176 nan 4.420 nan 0.000 0.217 189 P C 0.321 177.563 177.300 -0.097 0.000 1.148 189 P CA 1.201 64.186 63.100 -0.192 0.000 0.828 189 P CB 0.303 31.863 31.700 -0.234 0.000 0.783 190 E N -0.974 119.168 120.200 -0.097 0.000 2.150 190 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 190 E C 1.958 178.522 176.600 -0.060 0.000 0.985 190 E CA 0.801 57.165 56.400 -0.059 0.000 0.814 190 E CB -0.871 28.805 29.700 -0.040 0.000 0.752 190 E HN 0.197 nan 8.360 nan 0.000 0.466 191 I N 0.250 120.789 120.570 -0.052 0.000 2.226 191 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 191 I C 2.123 178.218 176.117 -0.037 0.000 1.100 191 I CA 0.936 62.209 61.300 -0.045 0.000 1.374 191 I CB -0.980 37.008 38.000 -0.020 0.000 1.057 191 I HN 0.022 nan 8.210 nan 0.000 0.413 192 V N 1.025 120.925 119.914 -0.023 0.000 2.287 192 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 192 V C 2.287 178.387 176.094 0.010 0.000 1.053 192 V CA 2.205 64.504 62.300 -0.002 0.000 1.027 192 V CB -0.699 31.129 31.823 0.009 0.000 0.646 192 V HN 0.311 nan 8.190 nan 0.000 0.447 193 D N -0.257 120.153 120.400 0.018 0.000 2.117 193 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 193 D C 2.275 178.541 176.300 -0.055 0.000 0.987 193 D CA 1.773 55.813 54.000 0.068 0.000 0.829 193 D CB -0.151 40.702 40.800 0.088 0.000 0.961 193 D HN 0.400 nan 8.370 nan 0.000 0.460 194 T N -0.277 114.227 114.554 -0.083 0.000 2.788 194 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 194 T C 1.906 176.563 174.700 -0.073 0.000 1.044 194 T CA 1.313 63.351 62.100 -0.103 0.000 1.139 194 T CB -0.407 68.376 68.868 -0.141 0.000 0.867 194 T HN 0.212 nan 8.240 nan 0.000 0.454 195 A N 2.701 125.479 122.820 -0.069 0.000 1.858 195 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 195 A C 2.245 179.775 177.584 -0.089 0.000 1.190 195 A CA 1.574 53.572 52.037 -0.065 0.000 0.617 195 A CB -0.689 18.287 19.000 -0.039 0.000 0.827 195 A HN 0.393 nan 8.150 nan 0.000 0.443 196 N N -0.955 117.700 118.700 -0.075 0.000 2.223 196 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 196 N C 1.363 176.726 175.510 -0.246 0.000 1.016 196 N CA 1.463 54.478 53.050 -0.059 0.000 0.863 196 N CB -0.606 37.955 38.487 0.123 0.000 0.983 196 N HN 0.569 nan 8.380 nan 0.000 0.429 197 F N 1.742 121.265 119.950 -0.711 0.000 2.113 197 F HA -0.015 4.512 4.527 -0.000 0.000 0.297 197 F C 2.013 177.599 175.800 -0.358 0.000 1.103 197 F CA 0.964 58.441 58.000 -0.872 0.000 1.248 197 F CB -0.546 37.943 39.000 -0.852 0.000 0.999 197 F HN -0.099 nan 8.300 nan 0.000 0.475 198 L N -0.371 120.590 121.223 -0.436 0.000 2.042 198 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 198 L C 2.429 179.103 176.870 -0.326 0.000 1.076 198 L CA 1.223 55.810 54.840 -0.422 0.000 0.749 198 L CB -0.988 40.954 42.059 -0.195 0.000 0.893 198 L HN 0.032 nan 8.230 nan 0.000 0.432 199 V N 0.084 119.868 119.914 -0.218 0.000 2.392 199 V HA -0.302 3.817 4.120 -0.000 0.000 0.249 199 V C 2.708 178.716 176.094 -0.143 0.000 1.059 199 V CA 1.766 63.982 62.300 -0.140 0.000 1.051 199 V CB -0.861 30.916 31.823 -0.077 0.000 0.658 199 V HN 0.503 nan 8.190 nan 0.000 0.455 200 A N -0.499 122.213 122.820 -0.179 0.000 2.015 200 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 200 A C 2.059 179.536 177.584 -0.179 0.000 1.163 200 A CA 1.320 53.286 52.037 -0.118 0.000 0.646 200 A CB -0.414 18.571 19.000 -0.026 0.000 0.806 200 A HN 0.538 nan 8.150 nan 0.000 0.448 201 L N -1.603 119.428 121.223 -0.320 0.000 2.599 201 L HA 0.178 4.518 4.340 -0.000 0.000 0.230 201 L C 1.668 178.436 176.870 -0.171 0.000 1.141 201 L CA 0.623 55.297 54.840 -0.277 0.000 0.877 201 L CB -0.080 41.732 42.059 -0.411 0.000 1.009 201 L HN 0.594 nan 8.230 nan 0.000 0.447 202 G N -0.660 108.053 108.800 -0.145 0.000 2.211 202 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.201 202 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.201 202 G C 0.418 175.261 174.900 -0.096 0.000 0.997 202 G CA -0.160 44.880 45.100 -0.099 0.000 0.652 202 G HN 0.419 nan 8.290 nan 0.000 0.500 203 A N 0.132 122.879 122.820 -0.121 0.000 2.386 203 A HA 0.623 4.942 4.320 -0.000 0.000 0.246 203 A C 0.456 177.993 177.584 -0.078 0.000 1.089 203 A CA 0.578 52.554 52.037 -0.101 0.000 0.790 203 A CB 0.295 19.224 19.000 -0.118 0.000 1.042 203 A HN 0.394 nan 8.150 nan 0.000 0.497 204 K N 1.050 121.412 120.400 -0.062 0.000 2.464 204 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 204 K C -1.408 175.165 176.600 -0.045 0.000 1.000 204 K CA 0.278 56.535 56.287 -0.049 0.000 0.951 204 K CB 1.042 33.517 32.500 -0.042 0.000 1.183 204 K HN 0.584 nan 8.250 nan 0.000 0.445 205 I N 1.300 121.845 120.570 -0.043 0.000 2.769 205 I HA 0.352 4.522 4.170 -0.000 0.000 0.298 205 I C -0.393 175.708 176.117 -0.026 0.000 1.128 205 I CA -0.794 60.484 61.300 -0.036 0.000 1.031 205 I CB 2.377 40.352 38.000 -0.042 0.000 1.235 205 I HN 0.562 nan 8.210 nan 0.000 0.423 206 S N 1.934 117.621 115.700 -0.021 0.000 2.556 206 S HA 0.816 5.286 4.470 -0.000 0.000 0.271 206 S C 0.139 174.733 174.600 -0.009 0.000 1.135 206 S CA 0.004 58.196 58.200 -0.014 0.000 0.858 206 S CB 2.017 65.208 63.200 -0.015 0.000 1.114 206 S HN 1.398 nan 8.310 nan 0.000 0.468 207 G N 0.788 109.586 108.800 -0.003 0.000 2.213 207 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.236 207 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.236 207 G C 0.146 175.050 174.900 0.007 0.000 0.991 207 G CA 0.092 45.193 45.100 0.002 0.000 0.629 207 G HN 1.340 nan 8.290 nan 0.000 0.517 208 Q N 0.552 120.354 119.800 0.003 0.000 2.283 208 Q HA 0.363 4.703 4.340 -0.000 0.000 0.301 208 Q C 1.179 177.188 176.000 0.016 0.000 1.063 208 Q CA 1.257 57.063 55.803 0.005 0.000 0.952 208 Q CB 0.774 29.511 28.738 -0.002 0.000 1.166 208 Q HN 1.906 nan 8.270 nan 0.000 0.381 209 G N 2.198 111.012 108.800 0.023 0.000 2.213 209 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.226 209 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.226 209 G C 0.250 175.176 174.900 0.043 0.000 0.992 209 G CA 0.325 45.450 45.100 0.040 0.000 0.632 209 G HN 1.161 nan 8.290 nan 0.000 0.511 210 T N -1.691 112.881 114.554 0.030 0.000 2.919 210 T HA 0.563 4.913 4.350 -0.000 0.000 0.282 210 T C 0.839 175.555 174.700 0.027 0.000 1.020 210 T CA 0.631 62.747 62.100 0.026 0.000 0.994 210 T CB 1.666 70.545 68.868 0.019 0.000 1.180 210 T HN 0.149 nan 8.240 nan 0.000 0.566 211 D N -1.027 119.387 120.400 0.024 0.000 2.349 211 D HA 0.062 4.701 4.640 -0.000 0.000 0.224 211 D C 0.680 176.998 176.300 0.031 0.000 1.029 211 D CA -0.001 54.015 54.000 0.025 0.000 0.879 211 D CB -0.153 40.659 40.800 0.021 0.000 0.906 211 D HN 0.618 nan 8.370 nan 0.000 0.528 212 R N 0.688 121.206 120.500 0.029 0.000 2.473 212 R HA 0.476 4.816 4.340 -0.000 0.000 0.303 212 R C -1.572 174.741 176.300 0.022 0.000 1.002 212 R CA -0.531 55.590 56.100 0.035 0.000 0.884 212 R CB 0.505 30.827 30.300 0.036 0.000 1.173 212 R HN -0.024 nan 8.270 nan 0.000 0.464 213 I N 3.705 124.289 120.570 0.023 0.000 2.354 213 I HA 0.333 4.502 4.170 -0.000 0.000 0.292 213 I C -0.333 175.785 176.117 0.002 0.000 0.989 213 I CA -0.815 60.491 61.300 0.009 0.000 1.188 213 I CB 2.373 40.378 38.000 0.008 0.000 1.342 213 I HN 0.612 nan 8.210 nan 0.000 0.457 214 T N 7.125 121.672 114.554 -0.012 0.000 2.770 214 T HA 0.630 4.980 4.350 -0.000 0.000 0.283 214 T C -0.380 174.305 174.700 -0.026 0.000 0.988 214 T CA -0.309 61.776 62.100 -0.024 0.000 0.957 214 T CB 0.991 69.839 68.868 -0.034 0.000 0.930 214 T HN 0.170 nan 8.240 nan 0.000 0.443 215 I N 2.502 123.056 120.570 -0.028 0.000 2.465 215 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 215 I C 0.173 176.269 176.117 -0.034 0.000 1.014 215 I CA -0.578 60.704 61.300 -0.031 0.000 1.093 215 I CB 1.954 39.937 38.000 -0.028 0.000 1.267 215 I HN 0.542 nan 8.210 nan 0.000 0.431 216 E N 4.775 124.953 120.200 -0.037 0.000 2.102 216 E HA 0.506 4.856 4.350 -0.000 0.000 0.263 216 E C 0.134 176.711 176.600 -0.039 0.000 0.894 216 E CA -0.632 55.746 56.400 -0.037 0.000 0.746 216 E CB 1.119 30.797 29.700 -0.035 0.000 1.129 216 E HN 0.849 nan 8.360 nan 0.000 0.416 217 G N 2.353 111.130 108.800 -0.038 0.000 2.562 217 G HA2 0.249 4.209 3.960 -0.000 0.000 0.233 217 G HA3 0.249 4.209 3.960 -0.000 0.000 0.233 217 G C 0.083 174.958 174.900 -0.042 0.000 1.266 217 G CA 0.183 45.259 45.100 -0.041 0.000 0.852 217 G HN 0.445 nan 8.290 nan 0.000 0.581 218 V N -1.214 118.672 119.914 -0.048 0.000 3.141 218 V HA 0.557 4.677 4.120 -0.000 0.000 0.312 218 V C 0.834 176.897 176.094 -0.051 0.000 1.157 218 V CA -0.763 61.509 62.300 -0.048 0.000 1.041 218 V CB 1.890 33.682 31.823 -0.052 0.000 1.071 218 V HN 0.779 nan 8.190 nan 0.000 0.441 219 E N 1.082 121.253 120.200 -0.048 0.000 2.077 219 E HA -0.037 4.312 4.350 -0.000 0.000 0.193 219 E C 0.432 176.994 176.600 -0.063 0.000 0.989 219 E CA 1.759 58.128 56.400 -0.052 0.000 0.800 219 E CB 0.121 29.795 29.700 -0.043 0.000 0.746 219 E HN 0.769 nan 8.360 nan 0.000 0.452 220 R N -0.826 119.637 120.500 -0.062 0.000 2.716 220 R HA 0.532 4.872 4.340 -0.000 0.000 0.271 220 R C -1.370 174.889 176.300 -0.069 0.000 1.028 220 R CA -0.751 55.307 56.100 -0.070 0.000 0.883 220 R CB 0.935 31.198 30.300 -0.063 0.000 1.250 220 R HN -0.153 nan 8.270 nan 0.000 0.465 221 L N 1.067 122.245 121.223 -0.074 0.000 2.334 221 L HA 0.597 4.936 4.340 -0.000 0.000 0.276 221 L C 0.667 177.497 176.870 -0.066 0.000 1.014 221 L CA -0.654 54.135 54.840 -0.085 0.000 0.815 221 L CB 2.014 44.008 42.059 -0.108 0.000 1.268 221 L HN 1.004 nan 8.230 nan 0.000 0.428 222 G N 1.205 109.963 108.800 -0.068 0.000 3.311 222 G HA2 0.604 4.564 3.960 -0.000 0.000 0.169 222 G HA3 0.604 4.564 3.960 -0.000 0.000 0.169 222 G C 0.047 174.926 174.900 -0.034 0.000 1.852 222 G CA 0.419 45.495 45.100 -0.041 0.000 1.010 222 G HN 0.764 nan 8.290 nan 0.000 0.530 223 G N -3.144 105.642 108.800 -0.023 0.000 2.870 223 G HA2 0.709 4.669 3.960 -0.000 0.000 0.299 223 G HA3 0.709 4.669 3.960 -0.000 0.000 0.299 223 G C -0.385 174.520 174.900 0.008 0.000 1.324 223 G CA 0.159 45.263 45.100 0.006 0.000 0.808 223 G HN 1.829 nan 8.290 nan 0.000 0.535 224 G N -2.606 106.231 108.800 0.061 0.000 2.352 224 G HA2 0.508 4.468 3.960 -0.000 0.000 0.283 224 G HA3 0.508 4.468 3.960 -0.000 0.000 0.283 224 G C -2.024 172.953 174.900 0.128 0.000 1.308 224 G CA 0.186 45.332 45.100 0.077 0.000 0.892 224 G HN 1.430 nan 8.290 nan 0.000 0.504 225 V N 0.483 120.478 119.914 0.136 0.000 2.531 225 V HA 0.717 4.837 4.120 -0.000 0.000 0.301 225 V C -1.297 174.918 176.094 0.201 0.000 1.034 225 V CA -0.571 61.808 62.300 0.131 0.000 0.865 225 V CB 1.531 33.397 31.823 0.072 0.000 0.995 225 V HN 0.930 nan 8.190 nan 0.000 0.424 226 Y N 4.268 124.608 120.300 0.066 0.000 2.457 226 Y HA 0.594 5.144 4.550 -0.000 0.000 0.343 226 Y C -0.197 175.686 175.900 -0.028 0.000 0.994 226 Y CA -0.824 57.320 58.100 0.073 0.000 1.031 226 Y CB 1.689 40.301 38.460 0.253 0.000 1.246 226 Y HN 0.612 nan 8.280 nan 0.000 0.449 227 R N 5.424 125.591 120.500 -0.556 0.000 2.255 227 R HA 0.569 4.909 4.340 -0.000 0.000 0.326 227 R C -1.363 174.721 176.300 -0.360 0.000 0.986 227 R CA -0.525 55.360 56.100 -0.358 0.000 0.847 227 R CB 0.812 30.939 30.300 -0.288 0.000 1.111 227 R HN 0.619 nan 8.270 nan 0.000 0.452 228 V N 6.430 126.272 119.914 -0.119 0.000 2.763 228 V HA -0.007 4.113 4.120 -0.000 0.000 0.306 228 V C 1.015 177.077 176.094 -0.052 0.000 1.059 228 V CA -0.108 62.179 62.300 -0.022 0.000 1.138 228 V CB 0.569 32.372 31.823 -0.035 0.000 0.940 228 V HN 0.684 nan 8.190 nan 0.000 0.489 229 L N 4.745 125.962 121.223 -0.010 0.000 2.472 229 L HA 0.538 4.878 4.340 -0.000 0.000 0.260 229 L C -2.388 174.469 176.870 -0.022 0.000 1.209 229 L CA -1.664 53.163 54.840 -0.023 0.000 0.817 229 L CB -0.069 41.989 42.059 -0.003 0.000 1.106 229 L HN 0.348 nan 8.230 nan 0.000 0.479 230 P HA -0.022 nan 4.420 nan 0.000 0.267 230 P C -1.125 176.171 177.300 -0.007 0.000 1.200 230 P CA 0.054 63.151 63.100 -0.006 0.000 0.772 230 P CB 0.330 32.033 31.700 0.005 0.000 0.855 231 D N 2.857 123.256 120.400 -0.001 0.000 2.359 231 D HA -0.006 4.633 4.640 -0.000 0.000 0.250 231 D C 1.326 177.626 176.300 0.001 0.000 1.264 231 D CA -0.096 53.895 54.000 -0.015 0.000 0.911 231 D CB 0.501 41.283 40.800 -0.030 0.000 1.056 231 D HN 0.339 nan 8.370 nan 0.000 0.499 232 R N 3.665 124.158 120.500 -0.012 0.000 2.152 232 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 232 R C 1.365 177.669 176.300 0.006 0.000 1.117 232 R CA 0.574 56.674 56.100 0.000 0.000 0.981 232 R CB -0.110 30.177 30.300 -0.021 0.000 0.870 232 R HN 0.339 nan 8.270 nan 0.000 0.451 233 I N 1.692 122.250 120.570 -0.020 0.000 2.406 233 I HA -0.110 4.060 4.170 -0.000 0.000 0.249 233 I C 2.481 178.606 176.117 0.013 0.000 1.122 233 I CA 1.105 62.394 61.300 -0.019 0.000 1.431 233 I CB -1.138 36.826 38.000 -0.061 0.000 1.087 233 I HN 0.354 nan 8.210 nan 0.000 0.424 234 E N 0.969 121.165 120.200 -0.006 0.000 2.051 234 E HA -0.189 4.160 4.350 -0.000 0.000 0.192 234 E C 2.036 178.782 176.600 0.243 0.000 0.991 234 E CA 1.963 58.425 56.400 0.105 0.000 0.799 234 E CB 0.185 29.960 29.700 0.125 0.000 0.748 234 E HN 0.377 nan 8.360 nan 0.000 0.449 235 T N -0.128 114.544 114.554 0.196 0.000 2.652 235 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 235 T C 1.753 176.568 174.700 0.192 0.000 1.039 235 T CA 1.371 63.600 62.100 0.216 0.000 1.153 235 T CB -0.730 68.215 68.868 0.129 0.000 0.863 235 T HN 0.408 nan 8.240 nan 0.000 0.428 236 G N 0.869 109.747 108.800 0.131 0.000 2.422 236 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 236 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 236 G C 1.713 176.684 174.900 0.118 0.000 1.146 236 G CA 1.445 46.625 45.100 0.134 0.000 0.769 236 G HN 0.462 nan 8.290 nan 0.000 0.547 237 T N 0.826 115.425 114.554 0.075 0.000 2.708 237 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 237 T C 2.036 176.653 174.700 -0.139 0.000 1.037 237 T CA 1.036 63.108 62.100 -0.046 0.000 1.146 237 T CB -0.333 68.496 68.868 -0.065 0.000 0.865 237 T HN 0.296 nan 8.240 nan 0.000 0.435 238 F N 0.721 120.727 119.950 0.092 0.000 2.259 238 F HA 0.138 4.665 4.527 -0.000 0.000 0.298 238 F C 2.090 177.912 175.800 0.037 0.000 1.088 238 F CA 0.498 58.532 58.000 0.057 0.000 1.358 238 F CB -0.386 38.654 39.000 0.067 0.000 1.040 238 F HN 0.062 nan 8.300 nan 0.000 0.505 239 L N -0.844 120.502 121.223 0.206 0.000 2.093 239 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 239 L C 2.308 179.210 176.870 0.054 0.000 1.085 239 L CA 0.647 55.566 54.840 0.131 0.000 0.755 239 L CB -0.666 41.472 42.059 0.132 0.000 0.904 239 L HN -0.028 nan 8.230 nan 0.000 0.435 240 V N -0.041 119.876 119.914 0.005 0.000 2.427 240 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 240 V C 2.737 178.788 176.094 -0.072 0.000 1.051 240 V CA 1.560 63.796 62.300 -0.108 0.000 1.048 240 V CB -0.665 31.047 31.823 -0.185 0.000 0.666 240 V HN 0.467 nan 8.190 nan 0.000 0.456 241 A N 0.154 122.960 122.820 -0.024 0.000 1.917 241 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 241 A C 2.414 180.007 177.584 0.015 0.000 1.182 241 A CA 2.440 54.477 52.037 -0.001 0.000 0.633 241 A CB -0.769 18.275 19.000 0.072 0.000 0.819 241 A HN 0.580 nan 8.150 nan 0.000 0.448 242 A N -0.426 122.416 122.820 0.037 0.000 1.872 242 A HA 0.252 4.572 4.320 -0.000 0.000 0.214 242 A C 2.527 180.105 177.584 -0.009 0.000 1.187 242 A CA 1.906 53.955 52.037 0.020 0.000 0.614 242 A CB -1.109 17.909 19.000 0.031 0.000 0.826 242 A HN 1.150 nan 8.150 nan 0.000 0.442 243 A N 0.586 123.393 122.820 -0.021 0.000 1.986 243 A HA -0.131 4.188 4.320 -0.000 0.000 0.220 243 A C 2.024 179.580 177.584 -0.046 0.000 1.171 243 A CA 1.662 53.676 52.037 -0.039 0.000 0.640 243 A CB -0.833 18.128 19.000 -0.065 0.000 0.811 243 A HN 1.034 nan 8.150 nan 0.000 0.451 244 I N -2.970 117.567 120.570 -0.056 0.000 3.728 244 I HA 0.115 4.285 4.170 -0.000 0.000 0.307 244 I C 1.361 177.461 176.117 -0.028 0.000 1.276 244 I CA 1.111 62.381 61.300 -0.050 0.000 1.285 244 I CB 0.228 38.188 38.000 -0.066 0.000 1.038 244 I HN 0.235 nan 8.210 nan 0.000 0.445 245 S N -0.063 115.626 115.700 -0.020 0.000 2.663 245 S HA 0.444 4.913 4.470 -0.000 0.000 0.243 245 S C 1.497 176.093 174.600 -0.006 0.000 1.009 245 S CA 0.144 58.338 58.200 -0.010 0.000 0.988 245 S CB 0.204 63.400 63.200 -0.006 0.000 0.896 245 S HN 0.718 nan 8.310 nan 0.000 0.502 246 G N 0.585 109.381 108.800 -0.007 0.000 2.180 246 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.263 246 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.263 246 G C 0.593 175.487 174.900 -0.010 0.000 0.989 246 G CA 0.182 45.281 45.100 -0.002 0.000 0.692 246 G HN 1.101 nan 8.290 nan 0.000 0.526 247 G N -0.947 107.845 108.800 -0.014 0.000 2.525 247 G HA2 0.590 4.550 3.960 -0.000 0.000 0.287 247 G HA3 0.590 4.550 3.960 -0.000 0.000 0.287 247 G C -0.146 174.730 174.900 -0.039 0.000 1.350 247 G CA 0.089 45.178 45.100 -0.018 0.000 1.039 247 G HN 0.574 nan 8.290 nan 0.000 0.513 248 K N -1.016 119.363 120.400 -0.034 0.000 2.422 248 K HA 0.656 4.975 4.320 -0.000 0.000 0.251 248 K C -1.696 174.893 176.600 -0.017 0.000 0.933 248 K CA -0.721 55.538 56.287 -0.046 0.000 0.798 248 K CB 2.174 34.636 32.500 -0.063 0.000 1.238 248 K HN 0.434 nan 8.250 nan 0.000 0.428 249 I N 2.645 123.215 120.570 0.001 0.000 2.913 249 I HA 0.423 4.593 4.170 -0.000 0.000 0.302 249 I C -1.808 174.330 176.117 0.034 0.000 1.246 249 I CA -0.951 60.357 61.300 0.014 0.000 1.010 249 I CB 2.365 40.389 38.000 0.040 0.000 1.259 249 I HN 0.378 nan 8.210 nan 0.000 0.434 250 V N 5.208 125.133 119.914 0.019 0.000 2.483 250 V HA 0.355 4.475 4.120 -0.000 0.000 0.297 250 V C -0.710 175.415 176.094 0.051 0.000 1.027 250 V CA -0.575 61.757 62.300 0.053 0.000 0.855 250 V CB 1.438 33.244 31.823 -0.028 0.000 0.995 250 V HN 0.778 nan 8.190 nan 0.000 0.424 251 C N 6.187 125.559 119.300 0.119 0.000 2.285 251 C HA 0.609 5.068 4.460 -0.000 0.000 0.335 251 C C 0.575 175.646 174.990 0.134 0.000 1.267 251 C CA -1.031 58.041 59.018 0.090 0.000 1.762 251 C CB -0.042 27.769 27.740 0.117 0.000 2.365 251 C HN 0.736 nan 8.230 nan 0.000 0.527 252 R N 2.441 122.985 120.500 0.073 0.000 2.573 252 R HA 0.280 4.620 4.340 -0.000 0.000 0.272 252 R C 0.256 176.601 176.300 0.074 0.000 1.009 252 R CA -0.383 55.773 56.100 0.094 0.000 1.059 252 R CB 0.284 30.604 30.300 0.034 0.000 1.112 252 R HN 0.781 nan 8.270 nan 0.000 0.517 253 N N -1.251 117.499 118.700 0.083 0.000 2.754 253 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 253 N C -1.143 174.395 175.510 0.047 0.000 1.093 253 N CA 1.152 54.233 53.050 0.051 0.000 0.699 253 N CB -0.937 37.566 38.487 0.026 0.000 1.016 253 N HN 0.749 nan 8.380 nan 0.000 0.552 254 A N -0.192 122.666 122.820 0.064 0.000 2.269 254 A HA 0.724 5.044 4.320 -0.000 0.000 0.327 254 A C 0.171 177.759 177.584 0.007 0.000 1.112 254 A CA -0.405 51.658 52.037 0.044 0.000 0.865 254 A CB 1.185 20.224 19.000 0.065 0.000 1.227 254 A HN 0.216 nan 8.150 nan 0.000 0.498 255 Q N 0.635 120.433 119.800 -0.004 0.000 2.932 255 Q HA 0.302 4.641 4.340 -0.000 0.000 0.248 255 Q C -2.255 173.729 176.000 -0.027 0.000 0.982 255 Q CA -1.788 54.001 55.803 -0.023 0.000 0.730 255 Q CB 1.211 29.940 28.738 -0.016 0.000 1.249 255 Q HN 0.443 nan 8.270 nan 0.000 0.476 256 P HA -0.250 nan 4.420 nan 0.000 0.217 256 P C 0.654 177.938 177.300 -0.028 0.000 1.158 256 P CA 1.827 64.891 63.100 -0.060 0.000 0.887 256 P CB 0.172 31.794 31.700 -0.129 0.000 0.792 257 D N -1.346 119.039 120.400 -0.024 0.000 2.384 257 D HA -0.124 4.515 4.640 -0.000 0.000 0.222 257 D C 1.149 177.477 176.300 0.047 0.000 0.976 257 D CA 1.552 55.554 54.000 0.003 0.000 0.915 257 D CB -1.537 39.264 40.800 0.001 0.000 0.896 257 D HN 0.261 nan 8.370 nan 0.000 0.523 258 T N -2.747 111.833 114.554 0.043 0.000 3.086 258 T HA 0.225 4.574 4.350 -0.000 0.000 0.250 258 T C 1.221 175.983 174.700 0.103 0.000 1.074 258 T CA -0.289 61.859 62.100 0.081 0.000 0.988 258 T CB -0.280 68.589 68.868 0.003 0.000 0.988 258 T HN 0.201 nan 8.240 nan 0.000 0.530 259 L N 0.581 121.839 121.223 0.057 0.000 3.267 259 L HA 0.364 4.704 4.340 -0.000 0.000 0.289 259 L C 0.852 177.734 176.870 0.020 0.000 1.260 259 L CA -0.317 54.543 54.840 0.034 0.000 1.034 259 L CB 0.514 42.590 42.059 0.028 0.000 1.413 259 L HN -0.013 nan 8.230 nan 0.000 0.594 260 D N 1.628 122.036 120.400 0.015 0.000 2.126 260 D HA -0.245 4.394 4.640 -0.000 0.000 0.190 260 D C 2.149 178.452 176.300 0.005 0.000 1.001 260 D CA 1.850 55.850 54.000 0.001 0.000 0.841 260 D CB 0.184 40.973 40.800 -0.018 0.000 0.949 260 D HN 0.406 nan 8.370 nan 0.000 0.446 261 A N 0.749 123.560 122.820 -0.015 0.000 1.883 261 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 261 A C 2.638 180.247 177.584 0.041 0.000 1.186 261 A CA 1.654 53.697 52.037 0.009 0.000 0.624 261 A CB -0.873 18.120 19.000 -0.012 0.000 0.822 261 A HN 0.162 nan 8.150 nan 0.000 0.444 262 V N 0.242 120.141 119.914 -0.026 0.000 2.295 262 V HA -0.258 3.861 4.120 -0.000 0.000 0.246 262 V C 2.574 178.768 176.094 0.167 0.000 1.049 262 V CA 1.979 64.294 62.300 0.025 0.000 1.024 262 V CB -0.780 31.034 31.823 -0.015 0.000 0.648 262 V HN 0.570 nan 8.190 nan 0.000 0.447 263 L N 0.020 121.310 121.223 0.111 0.000 2.083 263 L HA -0.153 4.186 4.340 -0.000 0.000 0.209 263 L C 2.710 179.650 176.870 0.116 0.000 1.083 263 L CA 1.485 56.394 54.840 0.115 0.000 0.752 263 L CB -0.844 41.254 42.059 0.066 0.000 0.899 263 L HN 0.378 nan 8.230 nan 0.000 0.433 264 A N -0.079 122.797 122.820 0.093 0.000 1.898 264 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 264 A C 2.296 179.948 177.584 0.114 0.000 1.181 264 A CA 1.599 53.685 52.037 0.083 0.000 0.620 264 A CB -0.290 18.744 19.000 0.056 0.000 0.819 264 A HN 0.148 nan 8.150 nan 0.000 0.442 265 K N -0.151 120.342 120.400 0.154 0.000 2.097 265 K HA 0.114 4.434 4.320 -0.000 0.000 0.205 265 K C 1.747 178.531 176.600 0.306 0.000 1.050 265 K CA 0.902 57.310 56.287 0.202 0.000 0.938 265 K CB -0.473 32.121 32.500 0.158 0.000 0.718 265 K HN 0.502 nan 8.250 nan 0.000 0.442 266 L N 0.056 121.480 121.223 0.336 0.000 2.093 266 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 266 L C 2.317 179.281 176.870 0.156 0.000 1.085 266 L CA 1.216 56.212 54.840 0.260 0.000 0.755 266 L CB -0.265 41.927 42.059 0.223 0.000 0.904 266 L HN 0.155 nan 8.230 nan 0.000 0.435 267 R N 0.008 120.588 120.500 0.133 0.000 2.081 267 R HA -0.166 4.173 4.340 -0.000 0.000 0.235 267 R C 2.089 178.444 176.300 0.091 0.000 1.131 267 R CA 1.248 57.407 56.100 0.098 0.000 0.960 267 R CB -0.259 30.091 30.300 0.082 0.000 0.856 267 R HN 0.434 nan 8.270 nan 0.000 0.436 268 E N 0.324 120.584 120.200 0.099 0.000 2.204 268 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 268 E C 1.642 178.293 176.600 0.084 0.000 0.990 268 E CA 1.035 57.484 56.400 0.083 0.000 0.821 268 E CB 0.030 29.778 29.700 0.080 0.000 0.750 268 E HN 0.339 nan 8.360 nan 0.000 0.477 269 A N -0.321 122.561 122.820 0.105 0.000 2.208 269 A HA 0.213 4.533 4.320 -0.000 0.000 0.209 269 A C 1.655 179.277 177.584 0.064 0.000 1.161 269 A CA 0.949 53.036 52.037 0.084 0.000 0.782 269 A CB 0.028 19.083 19.000 0.091 0.000 0.816 269 A HN 0.346 nan 8.150 nan 0.000 0.477 270 G N -2.450 106.392 108.800 0.070 0.000 2.184 270 G HA2 0.184 4.144 3.960 -0.000 0.000 0.206 270 G HA3 0.184 4.144 3.960 -0.000 0.000 0.206 270 G C 0.339 175.285 174.900 0.077 0.000 0.995 270 G CA 0.058 45.200 45.100 0.069 0.000 0.651 270 G HN 1.435 nan 8.290 nan 0.000 0.511 271 A N 0.176 123.039 122.820 0.072 0.000 2.371 271 A HA 0.569 4.889 4.320 -0.000 0.000 0.257 271 A C 0.096 177.728 177.584 0.078 0.000 1.089 271 A CA 0.586 52.660 52.037 0.062 0.000 0.794 271 A CB 0.586 19.620 19.000 0.056 0.000 1.029 271 A HN 0.533 nan 8.150 nan 0.000 0.488 272 D N 1.938 122.379 120.400 0.067 0.000 2.428 272 D HA 0.452 5.091 4.640 -0.000 0.000 0.221 272 D C -0.631 175.714 176.300 0.075 0.000 1.123 272 D CA 0.045 54.107 54.000 0.103 0.000 0.869 272 D CB -0.014 40.900 40.800 0.190 0.000 1.032 272 D HN 0.346 nan 8.370 nan 0.000 0.506 273 I N 3.008 123.630 120.570 0.085 0.000 2.404 273 I HA 0.344 4.514 4.170 -0.000 0.000 0.293 273 I C 0.250 176.422 176.117 0.092 0.000 0.992 273 I CA -0.761 60.591 61.300 0.087 0.000 1.149 273 I CB 1.686 39.731 38.000 0.075 0.000 1.315 273 I HN 0.251 nan 8.210 nan 0.000 0.446 274 E N 3.939 124.216 120.200 0.129 0.000 2.266 274 E HA 0.548 4.898 4.350 -0.000 0.000 0.268 274 E C -0.972 175.633 176.600 0.009 0.000 0.879 274 E CA -0.779 55.704 56.400 0.139 0.000 0.762 274 E CB 2.652 32.533 29.700 0.302 0.000 1.199 274 E HN 0.655 nan 8.360 nan 0.000 0.422 275 T N -1.100 113.287 114.554 -0.277 0.000 2.916 275 T HA 0.799 5.149 4.350 -0.000 0.000 0.292 275 T C 0.149 174.121 174.700 -1.213 0.000 1.055 275 T CA -0.776 60.891 62.100 -0.721 0.000 1.009 275 T CB 1.964 70.603 68.868 -0.381 0.000 1.118 275 T HN 0.503 nan 8.240 nan 0.000 0.497 276 G N 0.048 107.738 108.800 -1.850 0.000 3.251 276 G HA2 0.495 4.455 3.960 -0.000 0.000 0.248 276 G HA3 0.495 4.455 3.960 -0.000 0.000 0.248 276 G C 0.274 174.752 174.900 -0.702 0.000 1.320 276 G CA -0.497 43.761 45.100 -1.403 0.000 0.982 276 G HN 0.707 nan 8.290 nan 0.000 0.575 277 E N -0.345 119.658 120.200 -0.329 0.000 2.077 277 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 277 E C 0.905 177.425 176.600 -0.133 0.000 0.989 277 E CA 2.038 58.350 56.400 -0.146 0.000 0.800 277 E CB 0.154 29.843 29.700 -0.017 0.000 0.746 277 E HN 0.470 nan 8.360 nan 0.000 0.452 278 D N -1.149 119.197 120.400 -0.090 0.000 2.760 278 D HA 0.072 4.712 4.640 -0.000 0.000 0.314 278 D C -0.528 175.839 176.300 0.111 0.000 1.464 278 D CA -0.579 53.424 54.000 0.006 0.000 0.797 278 D CB -0.871 39.973 40.800 0.073 0.000 1.149 278 D HN 0.305 nan 8.370 nan 0.000 0.455 279 W N -0.129 121.175 121.300 0.006 0.000 3.137 279 W HA 0.667 5.327 4.660 0.000 0.000 0.324 279 W C -2.131 174.397 176.519 0.015 0.000 1.253 279 W CA -1.276 56.073 57.345 0.007 0.000 1.183 279 W CB 0.449 29.909 29.460 0.001 0.000 1.424 279 W HN -0.283 nan 8.180 nan 0.000 0.566 280 I N 2.959 123.729 120.570 0.333 0.000 2.619 280 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 280 I C -0.205 176.142 176.117 0.383 0.000 1.100 280 I CA -0.742 60.685 61.300 0.211 0.000 1.043 280 I CB 2.592 40.644 38.000 0.087 0.000 1.239 280 I HN 0.457 nan 8.210 nan 0.000 0.420 281 S N 6.805 122.737 115.700 0.388 0.000 2.513 281 S HA 0.831 5.301 4.470 -0.000 0.000 0.299 281 S C -1.073 173.623 174.600 0.159 0.000 1.087 281 S CA -0.732 57.631 58.200 0.271 0.000 1.012 281 S CB 2.250 65.625 63.200 0.291 0.000 1.044 281 S HN 0.645 nan 8.310 nan 0.000 0.485 282 L N 2.299 123.577 121.223 0.091 0.000 2.409 282 L HA 0.665 5.004 4.340 -0.000 0.000 0.272 282 L C -1.898 174.957 176.870 -0.025 0.000 0.980 282 L CA -0.297 54.570 54.840 0.045 0.000 0.826 282 L CB 1.848 43.940 42.059 0.056 0.000 1.268 282 L HN 0.835 nan 8.230 nan 0.000 0.407 283 D N 4.938 125.277 120.400 -0.103 0.000 2.593 283 D HA 0.278 4.918 4.640 -0.000 0.000 0.251 283 D C 0.284 176.379 176.300 -0.342 0.000 1.140 283 D CA -0.431 53.401 54.000 -0.280 0.000 0.855 283 D CB 1.895 42.408 40.800 -0.477 0.000 1.267 283 D HN 0.486 nan 8.370 nan 0.000 0.532 284 M N 1.601 121.069 119.600 -0.219 0.000 2.541 284 M HA 0.019 4.499 4.480 -0.000 0.000 0.252 284 M C 0.144 176.432 176.300 -0.019 0.000 1.125 284 M CA 0.328 55.573 55.300 -0.091 0.000 1.091 284 M CB -0.670 31.913 32.600 -0.029 0.000 1.420 284 M HN 0.491 nan 8.290 nan 0.000 0.486 285 H N -0.008 119.075 119.070 0.022 0.000 2.770 285 H HA -0.153 4.403 4.556 -0.000 0.000 0.309 285 H C 1.337 176.673 175.328 0.014 0.000 1.206 285 H CA 0.882 56.941 56.048 0.018 0.000 1.147 285 H CB -2.241 27.532 29.762 0.020 0.000 1.422 285 H HN 0.630 nan 8.280 nan 0.000 0.420 286 G N -0.618 108.226 108.800 0.074 0.000 2.186 286 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.266 286 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.266 286 G C 0.522 175.452 174.900 0.049 0.000 0.982 286 G CA 1.032 46.163 45.100 0.051 0.000 0.670 286 G HN 0.392 nan 8.290 nan 0.000 0.533 287 K N 0.218 120.657 120.400 0.064 0.000 2.185 287 K HA 0.363 4.683 4.320 -0.000 0.000 0.271 287 K C 0.824 177.443 176.600 0.033 0.000 1.013 287 K CA -0.782 55.536 56.287 0.052 0.000 0.943 287 K CB 1.026 33.567 32.500 0.069 0.000 0.998 287 K HN 0.457 nan 8.250 nan 0.000 0.468 288 R N 3.127 123.643 120.500 0.027 0.000 2.490 288 R HA 0.149 4.488 4.340 -0.000 0.000 0.280 288 R C -1.992 174.319 176.300 0.019 0.000 1.077 288 R CA -1.089 55.021 56.100 0.018 0.000 1.065 288 R CB 0.374 30.684 30.300 0.017 0.000 1.003 288 R HN 0.344 nan 8.270 nan 0.000 0.470 289 P HA 0.079 nan 4.420 nan 0.000 0.272 289 P C -1.272 176.040 177.300 0.020 0.000 1.223 289 P CA -0.122 62.985 63.100 0.011 0.000 0.784 289 P CB 0.768 32.462 31.700 -0.012 0.000 0.923 290 K N 1.146 121.564 120.400 0.030 0.000 2.172 290 K HA 0.474 4.794 4.320 -0.000 0.000 0.276 290 K C 0.277 176.899 176.600 0.036 0.000 1.013 290 K CA -0.610 55.697 56.287 0.033 0.000 0.913 290 K CB 1.284 33.807 32.500 0.038 0.000 1.055 290 K HN 0.554 nan 8.250 nan 0.000 0.461 291 A N 2.287 125.125 122.820 0.030 0.000 2.531 291 A HA 0.275 4.594 4.320 -0.000 0.000 0.236 291 A C 0.363 177.968 177.584 0.035 0.000 1.062 291 A CA -0.264 51.789 52.037 0.027 0.000 0.760 291 A CB -0.056 18.954 19.000 0.015 0.000 0.995 291 A HN 0.544 nan 8.150 nan 0.000 0.501 292 V N -0.305 119.636 119.914 0.045 0.000 3.074 292 V HA 0.875 4.995 4.120 -0.000 0.000 0.314 292 V C -0.093 175.999 176.094 -0.002 0.000 1.117 292 V CA -0.604 61.721 62.300 0.042 0.000 1.014 292 V CB 1.771 33.653 31.823 0.099 0.000 1.057 292 V HN 0.768 nan 8.190 nan 0.000 0.438 293 T N 1.917 116.451 114.554 -0.032 0.000 2.779 293 T HA 0.730 5.080 4.350 -0.000 0.000 0.280 293 T C -0.567 174.047 174.700 -0.142 0.000 0.987 293 T CA -0.265 61.792 62.100 -0.070 0.000 0.966 293 T CB 1.304 70.142 68.868 -0.049 0.000 0.933 293 T HN 0.745 nan 8.240 nan 0.000 0.442 294 V N 3.585 123.372 119.914 -0.212 0.000 2.823 294 V HA 0.672 4.791 4.120 -0.000 0.000 0.312 294 V C -0.218 175.721 176.094 -0.258 0.000 1.072 294 V CA -1.062 61.002 62.300 -0.393 0.000 0.937 294 V CB 2.258 33.598 31.823 -0.806 0.000 1.013 294 V HN 0.762 nan 8.190 nan 0.000 0.430 295 R N 2.102 122.467 120.500 -0.225 0.000 2.507 295 R HA 0.465 4.805 4.340 -0.000 0.000 0.298 295 R C -0.166 176.130 176.300 -0.007 0.000 1.087 295 R CA -0.275 55.777 56.100 -0.081 0.000 0.917 295 R CB 1.482 31.756 30.300 -0.043 0.000 1.173 295 R HN 0.947 nan 8.270 nan 0.000 0.472 296 T N 1.069 115.658 114.554 0.058 0.000 2.900 296 T HA 0.655 5.005 4.350 -0.000 0.000 0.307 296 T C 0.228 174.983 174.700 0.091 0.000 1.065 296 T CA 0.009 62.216 62.100 0.179 0.000 1.105 296 T CB 1.547 70.535 68.868 0.199 0.000 0.979 296 T HN 0.702 nan 8.240 nan 0.000 0.544 297 A N 2.708 125.582 122.820 0.090 0.000 2.515 297 A HA 0.712 5.032 4.320 -0.000 0.000 0.292 297 A C -3.155 174.449 177.584 0.033 0.000 1.065 297 A CA -1.667 50.389 52.037 0.033 0.000 0.641 297 A CB 0.129 19.142 19.000 0.022 0.000 1.306 297 A HN 0.655 nan 8.150 nan 0.000 0.441 298 P HA 0.254 nan 4.420 nan 0.000 0.268 298 P C -0.321 177.015 177.300 0.060 0.000 1.208 298 P CA 0.380 63.502 63.100 0.036 0.000 0.777 298 P CB 0.154 31.865 31.700 0.018 0.000 0.875 299 H N 4.121 123.187 119.070 -0.007 0.000 3.016 299 H HA 0.001 4.557 4.556 -0.000 0.000 0.345 299 H C -1.203 174.121 175.328 -0.006 0.000 1.066 299 H CA -0.596 55.445 56.048 -0.011 0.000 1.390 299 H CB 0.237 29.993 29.762 -0.010 0.000 1.344 299 H HN 0.324 nan 8.280 nan 0.000 0.605 300 P HA 0.117 nan 4.420 nan 0.000 0.255 300 P C -0.338 176.736 177.300 -0.376 0.000 1.301 300 P CA 0.235 62.742 63.100 -0.990 0.000 0.817 300 P CB -0.074 31.204 31.700 -0.703 0.000 1.259 301 A N 0.523 123.245 122.820 -0.163 0.000 2.262 301 A HA 0.232 4.551 4.320 -0.000 0.000 0.273 301 A C -0.206 177.385 177.584 0.011 0.000 1.202 301 A CA -0.527 51.485 52.037 -0.041 0.000 0.811 301 A CB -0.597 18.406 19.000 0.005 0.000 1.159 301 A HN 0.177 nan 8.150 nan 0.000 0.505 302 F N 1.809 121.715 119.950 -0.073 0.000 2.571 302 F HA 0.294 4.821 4.527 -0.000 0.000 0.384 302 F C -1.663 174.114 175.800 -0.038 0.000 1.058 302 F CA -1.650 56.297 58.000 -0.089 0.000 1.200 302 F CB 0.603 39.514 39.000 -0.148 0.000 1.077 302 F HN 0.251 nan 8.300 nan 0.000 0.558 303 P HA -0.026 nan 4.420 nan 0.000 0.276 303 P C 0.337 177.619 177.300 -0.029 0.000 1.235 303 P CA -0.029 62.974 63.100 -0.162 0.000 0.772 303 P CB 1.522 33.102 31.700 -0.200 0.000 0.871 304 T N 2.152 116.784 114.554 0.131 0.000 2.881 304 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 304 T C 1.687 176.497 174.700 0.183 0.000 1.068 304 T CA 1.580 63.814 62.100 0.224 0.000 1.131 304 T CB -0.578 68.449 68.868 0.265 0.000 0.871 304 T HN 0.445 nan 8.240 nan 0.000 0.479 305 A N 0.476 123.358 122.820 0.103 0.000 2.216 305 A HA 0.197 4.517 4.320 -0.000 0.000 0.214 305 A C 2.011 179.630 177.584 0.058 0.000 1.160 305 A CA 0.806 52.881 52.037 0.064 0.000 0.725 305 A CB -0.318 18.700 19.000 0.030 0.000 0.784 305 A HN 0.513 nan 8.150 nan 0.000 0.472 306 M N -1.307 118.329 119.600 0.060 0.000 2.308 306 M HA 0.084 4.564 4.480 -0.000 0.000 0.269 306 M C 1.798 178.354 176.300 0.426 0.000 1.040 306 M CA 0.309 55.698 55.300 0.148 0.000 1.024 306 M CB -0.074 32.468 32.600 -0.097 0.000 1.465 306 M HN 0.599 nan 8.290 nan 0.000 0.517 307 Q N 1.157 121.218 119.800 0.435 0.000 2.061 307 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 307 Q C 1.729 177.910 176.000 0.302 0.000 0.984 307 Q CA 2.280 58.360 55.803 0.461 0.000 0.846 307 Q CB 0.038 29.006 28.738 0.384 0.000 0.902 307 Q HN 0.464 nan 8.270 nan 0.000 0.421 308 A N 0.602 123.462 122.820 0.068 0.000 1.877 308 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 308 A C 2.021 179.559 177.584 -0.078 0.000 1.186 308 A CA 1.855 53.684 52.037 -0.347 0.000 0.620 308 A CB -0.606 18.012 19.000 -0.636 0.000 0.822 308 A HN 0.495 nan 8.150 nan 0.000 0.443 309 Q N -1.157 118.672 119.800 0.049 0.000 2.096 309 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 309 Q C 1.652 177.700 176.000 0.081 0.000 0.982 309 Q CA 1.774 57.610 55.803 0.056 0.000 0.850 309 Q CB -0.485 28.306 28.738 0.087 0.000 0.901 309 Q HN 0.688 nan 8.270 nan 0.000 0.422 310 F N -0.020 120.009 119.950 0.131 0.000 2.407 310 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 310 F C 2.103 177.941 175.800 0.065 0.000 1.097 310 F CA 1.062 59.135 58.000 0.122 0.000 1.422 310 F CB -0.231 38.874 39.000 0.175 0.000 1.067 310 F HN 0.022 nan 8.300 nan 0.000 0.539 311 T N 0.458 115.153 114.554 0.235 0.000 2.777 311 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 311 T C 2.023 176.778 174.700 0.092 0.000 1.040 311 T CA 1.254 63.457 62.100 0.172 0.000 1.141 311 T CB -0.502 68.569 68.868 0.337 0.000 0.868 311 T HN 0.140 nan 8.240 nan 0.000 0.444 312 L N 1.437 122.706 121.223 0.076 0.000 1.989 312 L HA 0.029 4.369 4.340 -0.000 0.000 0.211 312 L C 2.245 179.101 176.870 -0.024 0.000 1.071 312 L CA 1.572 56.424 54.840 0.019 0.000 0.749 312 L CB -1.005 41.049 42.059 -0.009 0.000 0.890 312 L HN 0.266 nan 8.230 nan 0.000 0.431 313 L N -0.344 120.836 121.223 -0.071 0.000 2.013 313 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 313 L C 2.277 179.121 176.870 -0.044 0.000 1.073 313 L CA 1.977 56.752 54.840 -0.110 0.000 0.753 313 L CB -0.566 41.331 42.059 -0.270 0.000 0.890 313 L HN 0.425 nan 8.230 nan 0.000 0.432 314 N N -0.060 118.635 118.700 -0.008 0.000 2.188 314 N HA -0.149 4.590 4.740 -0.000 0.000 0.184 314 N C 1.828 177.334 175.510 -0.007 0.000 1.018 314 N CA 1.380 54.431 53.050 0.001 0.000 0.858 314 N CB -0.374 38.115 38.487 0.003 0.000 0.989 314 N HN 0.379 nan 8.380 nan 0.000 0.426 315 L N 0.508 121.725 121.223 -0.010 0.000 2.353 315 L HA -0.057 4.283 4.340 -0.000 0.000 0.220 315 L C 1.341 178.213 176.870 0.003 0.000 1.133 315 L CA 0.612 55.448 54.840 -0.007 0.000 0.798 315 L CB -0.075 41.976 42.059 -0.015 0.000 0.922 315 L HN 0.089 nan 8.230 nan 0.000 0.445 316 V N -4.825 115.088 119.914 -0.003 0.000 3.159 316 V HA 0.552 4.672 4.120 -0.000 0.000 0.333 316 V C 0.600 176.697 176.094 0.004 0.000 1.424 316 V CA -0.271 62.029 62.300 0.000 0.000 1.125 316 V CB -0.178 31.638 31.823 -0.011 0.000 1.075 316 V HN 0.093 nan 8.190 nan 0.000 0.482 317 A N 0.573 123.398 122.820 0.008 0.000 2.256 317 A HA 0.792 5.112 4.320 -0.000 0.000 0.318 317 A C -0.093 177.506 177.584 0.024 0.000 1.103 317 A CA -0.551 51.493 52.037 0.012 0.000 0.860 317 A CB 1.143 20.149 19.000 0.009 0.000 1.182 317 A HN 0.444 nan 8.150 nan 0.000 0.501 318 E N -0.144 120.070 120.200 0.025 0.000 1.996 318 E HA 0.486 4.836 4.350 -0.000 0.000 0.280 318 E C 0.339 176.958 176.600 0.031 0.000 1.092 318 E CA 1.231 57.649 56.400 0.029 0.000 0.862 318 E CB -0.203 29.513 29.700 0.026 0.000 1.066 318 E HN 1.510 nan 8.360 nan 0.000 0.396 319 G N 2.459 111.283 108.800 0.039 0.000 2.343 319 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.562 319 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.562 319 G C -0.778 174.151 174.900 0.049 0.000 1.269 319 G CA -0.545 44.580 45.100 0.042 0.000 1.011 319 G HN 0.377 nan 8.290 nan 0.000 0.498 320 T N 1.129 115.709 114.554 0.043 0.000 2.753 320 T HA 0.630 4.979 4.350 -0.000 0.000 0.297 320 T C 0.651 175.332 174.700 -0.032 0.000 0.981 320 T CA 0.528 62.638 62.100 0.016 0.000 0.956 320 T CB 1.072 69.977 68.868 0.062 0.000 0.936 320 T HN 1.350 nan 8.240 nan 0.000 0.463 321 G N 1.839 110.598 108.800 -0.069 0.000 2.371 321 G HA2 0.602 4.562 3.960 -0.000 0.000 0.326 321 G HA3 0.602 4.562 3.960 -0.000 0.000 0.326 321 G C -0.965 173.877 174.900 -0.097 0.000 1.127 321 G CA -0.472 44.593 45.100 -0.059 0.000 0.885 321 G HN 0.624 nan 8.290 nan 0.000 0.477 322 V N 2.901 122.769 119.914 -0.077 0.000 2.487 322 V HA 0.451 4.570 4.120 -0.000 0.000 0.298 322 V C -0.280 175.768 176.094 -0.077 0.000 1.028 322 V CA -0.542 61.707 62.300 -0.085 0.000 0.860 322 V CB 1.467 33.252 31.823 -0.063 0.000 0.991 322 V HN 0.626 nan 8.190 nan 0.000 0.427 323 I N 3.490 124.015 120.570 -0.074 0.000 2.406 323 I HA 0.477 4.647 4.170 -0.000 0.000 0.290 323 I C -0.110 176.048 176.117 0.068 0.000 0.999 323 I CA -0.195 61.082 61.300 -0.037 0.000 1.124 323 I CB 2.250 40.244 38.000 -0.010 0.000 1.289 323 I HN 0.496 nan 8.210 nan 0.000 0.441 324 T N 4.336 118.928 114.554 0.063 0.000 2.779 324 T HA 0.280 4.630 4.350 -0.000 0.000 0.280 324 T C -0.464 174.311 174.700 0.124 0.000 0.987 324 T CA -0.450 61.724 62.100 0.124 0.000 0.966 324 T CB 1.413 70.311 68.868 0.049 0.000 0.933 324 T HN 0.438 nan 8.240 nan 0.000 0.442 325 E N 1.958 122.249 120.200 0.152 0.000 2.109 325 E HA 0.380 4.730 4.350 -0.000 0.000 0.278 325 E C 0.849 177.439 176.600 -0.018 0.000 0.954 325 E CA -0.582 55.846 56.400 0.046 0.000 0.779 325 E CB 0.766 30.398 29.700 -0.112 0.000 1.093 325 E HN 0.646 nan 8.360 nan 0.000 0.401 326 T N 2.084 116.630 114.554 -0.013 0.000 3.044 326 T HA 0.183 4.532 4.350 -0.000 0.000 0.260 326 T C 1.107 175.743 174.700 -0.107 0.000 1.019 326 T CA -0.138 61.933 62.100 -0.048 0.000 0.921 326 T CB -0.010 68.839 68.868 -0.032 0.000 1.053 326 T HN 0.390 nan 8.240 nan 0.000 0.533 327 I N -0.090 120.395 120.570 -0.142 0.000 2.729 327 I HA 0.400 4.570 4.170 -0.000 0.000 0.256 327 I C 0.132 175.896 176.117 -0.589 0.000 1.115 327 I CA -0.017 61.061 61.300 -0.369 0.000 1.446 327 I CB -0.641 37.118 38.000 -0.403 0.000 1.176 327 I HN 0.206 nan 8.210 nan 0.000 0.446 328 F N 2.128 122.039 119.950 -0.064 0.000 2.520 328 F HA 0.250 4.777 4.527 -0.000 0.000 0.322 328 F C 1.520 177.240 175.800 -0.133 0.000 1.103 328 F CA -0.793 57.158 58.000 -0.082 0.000 0.926 328 F CB 1.274 40.231 39.000 -0.071 0.000 1.154 328 F HN -0.002 nan 8.300 nan 0.000 0.453 329 E N 1.067 121.308 120.200 0.069 0.000 2.516 329 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 329 E C -0.299 176.263 176.600 -0.063 0.000 1.069 329 E CA 0.835 57.220 56.400 -0.025 0.000 0.876 329 E CB -0.072 29.622 29.700 -0.009 0.000 0.843 329 E HN 0.764 nan 8.360 nan 0.000 0.530 330 N N 0.247 118.918 118.700 -0.048 0.000 2.636 330 N HA 0.108 4.848 4.740 -0.000 0.000 0.287 330 N C -0.560 174.903 175.510 -0.078 0.000 1.817 330 N CA -0.174 52.833 53.050 -0.072 0.000 0.842 330 N CB 0.459 38.932 38.487 -0.024 0.000 1.353 330 N HN -0.068 nan 8.380 nan 0.000 0.500 331 R N 0.845 121.242 120.500 -0.172 0.000 2.935 331 R HA 0.259 4.599 4.340 -0.000 0.000 0.354 331 R C -0.577 175.815 176.300 0.152 0.000 1.206 331 R CA -0.123 55.949 56.100 -0.046 0.000 1.082 331 R CB -0.123 30.171 30.300 -0.009 0.000 1.431 331 R HN 0.283 nan 8.270 nan 0.000 0.582 332 F N -0.334 119.670 119.950 0.089 0.000 2.775 332 F HA 0.159 4.686 4.527 -0.000 0.000 0.313 332 F C 1.282 176.969 175.800 -0.188 0.000 1.121 332 F CA -0.504 57.446 58.000 -0.083 0.000 1.206 332 F CB 0.689 39.633 39.000 -0.093 0.000 1.052 332 F HN 0.092 nan 8.300 nan 0.000 0.524 333 M N 0.231 119.931 119.600 0.168 0.000 2.446 333 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 333 M C 2.351 178.683 176.300 0.054 0.000 1.066 333 M CA 1.309 56.657 55.300 0.078 0.000 1.087 333 M CB -0.541 32.093 32.600 0.057 0.000 1.406 333 M HN 0.316 nan 8.290 nan 0.000 0.459 334 H N -1.265 117.829 119.070 0.041 0.000 2.470 334 H HA 0.066 4.622 4.556 -0.000 0.000 0.289 334 H C 2.047 177.377 175.328 0.003 0.000 1.033 334 H CA 0.919 56.972 56.048 0.008 0.000 1.331 334 H CB -1.198 28.572 29.762 0.013 0.000 1.414 334 H HN 0.211 nan 8.280 nan 0.000 0.545 335 V N 2.561 122.189 119.914 -0.476 0.000 2.252 335 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 335 V C -0.244 175.767 176.094 -0.139 0.000 1.056 335 V CA 2.472 64.583 62.300 -0.317 0.000 1.022 335 V CB -1.453 30.144 31.823 -0.377 0.000 0.641 335 V HN 0.407 nan 8.190 nan 0.000 0.445 336 P HA -0.122 nan 4.420 nan 0.000 0.218 336 P C 1.550 178.828 177.300 -0.037 0.000 1.148 336 P CA 1.180 64.249 63.100 -0.051 0.000 0.822 336 P CB -0.016 31.666 31.700 -0.030 0.000 0.784 337 E N -0.498 119.685 120.200 -0.027 0.000 2.072 337 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 337 E C 2.121 178.711 176.600 -0.017 0.000 0.982 337 E CA 0.896 57.289 56.400 -0.012 0.000 0.803 337 E CB -0.920 28.783 29.700 0.005 0.000 0.755 337 E HN 0.315 nan 8.360 nan 0.000 0.453 338 L N 0.595 121.806 121.223 -0.019 0.000 2.141 338 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 338 L C 2.473 179.311 176.870 -0.054 0.000 1.094 338 L CA 0.627 55.452 54.840 -0.025 0.000 0.763 338 L CB -0.328 41.724 42.059 -0.011 0.000 0.908 338 L HN 0.077 nan 8.230 nan 0.000 0.437 339 I N -0.510 120.022 120.570 -0.063 0.000 2.361 339 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 339 I C 2.623 178.697 176.117 -0.072 0.000 1.133 339 I CA 1.093 62.345 61.300 -0.080 0.000 1.413 339 I CB -0.249 37.715 38.000 -0.059 0.000 1.073 339 I HN 0.211 nan 8.210 nan 0.000 0.424 340 R N 0.254 120.726 120.500 -0.047 0.000 2.152 340 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 340 R C 1.857 178.132 176.300 -0.041 0.000 1.117 340 R CA 1.116 57.194 56.100 -0.036 0.000 0.981 340 R CB -0.120 30.167 30.300 -0.021 0.000 0.870 340 R HN 0.355 nan 8.270 nan 0.000 0.451 341 M N -0.719 118.853 119.600 -0.047 0.000 2.568 341 M HA 0.139 4.619 4.480 -0.000 0.000 0.226 341 M C 0.652 176.910 176.300 -0.071 0.000 1.148 341 M CA 0.462 55.735 55.300 -0.046 0.000 1.007 341 M CB 1.168 33.748 32.600 -0.034 0.000 1.651 341 M HN 0.428 nan 8.290 nan 0.000 0.488 342 G N 0.266 109.001 108.800 -0.108 0.000 2.176 342 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.232 342 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.232 342 G C 0.203 174.917 174.900 -0.310 0.000 0.986 342 G CA -0.060 44.935 45.100 -0.176 0.000 0.643 342 G HN 0.651 nan 8.290 nan 0.000 0.522 343 A N 0.344 123.024 122.820 -0.233 0.000 2.346 343 A HA 0.646 4.966 4.320 -0.000 0.000 0.252 343 A C 0.093 177.470 177.584 -0.345 0.000 1.089 343 A CA 0.001 51.903 52.037 -0.225 0.000 0.797 343 A CB 0.291 19.231 19.000 -0.100 0.000 1.047 343 A HN 0.513 nan 8.150 nan 0.000 0.494 344 H N -0.181 118.906 119.070 0.029 0.000 2.646 344 H HA 0.676 5.231 4.556 -0.000 0.000 0.328 344 H C -0.230 175.149 175.328 0.085 0.000 0.998 344 H CA 0.437 56.527 56.048 0.071 0.000 1.225 344 H CB 1.404 31.231 29.762 0.108 0.000 1.457 344 H HN 0.977 nan 8.280 nan 0.000 0.505 345 A N 2.911 125.831 122.820 0.167 0.000 2.597 345 A HA 0.579 4.899 4.320 -0.000 0.000 0.292 345 A C -1.319 176.274 177.584 0.015 0.000 1.057 345 A CA -0.844 51.208 52.037 0.025 0.000 0.674 345 A CB 1.774 20.712 19.000 -0.103 0.000 1.278 345 A HN 0.533 nan 8.150 nan 0.000 0.416 346 E N 0.181 120.358 120.200 -0.039 0.000 2.293 346 E HA 0.663 5.013 4.350 -0.000 0.000 0.270 346 E C -1.206 175.340 176.600 -0.090 0.000 0.879 346 E CA -0.271 56.113 56.400 -0.026 0.000 0.756 346 E CB 2.196 31.915 29.700 0.031 0.000 1.208 346 E HN 0.532 nan 8.360 nan 0.000 0.428 347 I N 1.974 122.504 120.570 -0.067 0.000 2.336 347 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 347 I C -0.400 175.727 176.117 0.016 0.000 0.991 347 I CA -0.622 60.642 61.300 -0.059 0.000 1.227 347 I CB 1.374 39.370 38.000 -0.007 0.000 1.366 347 I HN 0.372 nan 8.210 nan 0.000 0.466 348 E N 5.121 125.343 120.200 0.037 0.000 2.267 348 E HA 0.391 4.741 4.350 -0.000 0.000 0.248 348 E C 0.008 176.659 176.600 0.085 0.000 0.899 348 E CA 0.090 56.519 56.400 0.049 0.000 0.764 348 E CB 1.144 30.860 29.700 0.027 0.000 1.227 348 E HN 0.644 nan 8.360 nan 0.000 0.421 349 S N 3.872 119.624 115.700 0.087 0.000 4.114 349 S HA -0.311 4.159 4.470 -0.000 0.000 0.618 349 S C 0.640 175.327 174.600 0.145 0.000 1.937 349 S CA 1.739 59.990 58.200 0.085 0.000 4.228 349 S CB -1.188 62.046 63.200 0.056 0.000 0.216 349 S HN 0.774 nan 8.310 nan 0.000 0.528 350 N N 2.281 121.057 118.700 0.125 0.000 2.327 350 N HA 0.227 4.967 4.740 -0.000 0.000 0.231 350 N C -0.099 175.612 175.510 0.336 0.000 1.130 350 N CA 0.850 53.987 53.050 0.145 0.000 0.845 350 N CB 0.179 38.673 38.487 0.013 0.000 1.073 350 N HN 0.886 nan 8.380 nan 0.000 0.496 351 T N -1.969 112.809 114.554 0.373 0.000 2.933 351 T HA 0.512 4.862 4.350 -0.000 0.000 0.305 351 T C -0.893 173.808 174.700 0.002 0.000 1.092 351 T CA -0.667 61.585 62.100 0.253 0.000 1.008 351 T CB 1.713 70.641 68.868 0.099 0.000 1.102 351 T HN -0.027 nan 8.240 nan 0.000 0.469 352 V N 3.172 122.923 119.914 -0.272 0.000 2.398 352 V HA 0.592 4.711 4.120 -0.000 0.000 0.286 352 V C -0.087 175.853 176.094 -0.256 0.000 1.026 352 V CA -1.147 60.897 62.300 -0.427 0.000 0.868 352 V CB 1.062 32.459 31.823 -0.709 0.000 0.982 352 V HN 0.808 nan 8.190 nan 0.000 0.443 353 I N 3.429 123.863 120.570 -0.226 0.000 2.312 353 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 353 I C 0.137 175.999 176.117 -0.425 0.000 1.031 353 I CA -0.008 61.134 61.300 -0.263 0.000 1.293 353 I CB 0.704 38.592 38.000 -0.186 0.000 1.403 353 I HN 0.657 nan 8.210 nan 0.000 0.484 354 C N 6.301 125.351 119.300 -0.416 0.000 2.341 354 C HA 0.443 4.903 4.460 -0.000 0.000 0.338 354 C C 0.347 175.050 174.990 -0.478 0.000 1.257 354 C CA -0.557 58.238 59.018 -0.371 0.000 1.883 354 C CB 0.410 28.044 27.740 -0.175 0.000 2.334 354 C HN 0.611 nan 8.230 nan 0.000 0.524 355 H N 1.480 120.562 119.070 0.021 0.000 2.736 355 H HA 0.284 4.840 4.556 -0.000 0.000 0.271 355 H C 0.609 175.974 175.328 0.061 0.000 1.184 355 H CA -0.056 56.013 56.048 0.034 0.000 1.378 355 H CB 0.824 30.605 29.762 0.032 0.000 1.428 355 H HN 0.949 nan 8.280 nan 0.000 0.500 356 G N 1.784 110.649 108.800 0.110 0.000 2.391 356 G HA2 0.253 4.213 3.960 -0.000 0.000 0.234 356 G HA3 0.253 4.213 3.960 -0.000 0.000 0.234 356 G C 0.484 175.446 174.900 0.103 0.000 1.284 356 G CA -0.000 45.148 45.100 0.080 0.000 0.873 356 G HN 0.430 nan 8.290 nan 0.000 0.549 357 V N 0.075 120.037 119.914 0.081 0.000 3.046 357 V HA 0.624 4.744 4.120 -0.000 0.000 0.316 357 V C 1.091 177.211 176.094 0.044 0.000 1.104 357 V CA -0.657 61.693 62.300 0.083 0.000 1.006 357 V CB 1.900 33.777 31.823 0.089 0.000 1.058 357 V HN 0.708 nan 8.190 nan 0.000 0.440 358 E N 1.167 121.391 120.200 0.040 0.000 2.012 358 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 358 E C 0.500 177.109 176.600 0.015 0.000 1.007 358 E CA 1.804 58.219 56.400 0.025 0.000 0.816 358 E CB 0.147 29.861 29.700 0.024 0.000 0.762 358 E HN 0.666 nan 8.360 nan 0.000 0.451 359 K N -0.649 119.757 120.400 0.011 0.000 2.512 359 K HA 0.393 4.712 4.320 -0.000 0.000 0.263 359 K C -0.916 175.678 176.600 -0.010 0.000 0.966 359 K CA -0.667 55.620 56.287 0.000 0.000 0.851 359 K CB 1.687 34.188 32.500 0.001 0.000 1.395 359 K HN 0.057 nan 8.250 nan 0.000 0.440 360 L N 0.806 122.019 121.223 -0.016 0.000 2.352 360 L HA 0.455 4.795 4.340 -0.000 0.000 0.269 360 L C 0.083 176.940 176.870 -0.021 0.000 1.034 360 L CA -0.698 54.126 54.840 -0.027 0.000 0.806 360 L CB 1.777 43.820 42.059 -0.027 0.000 1.244 360 L HN 0.450 nan 8.230 nan 0.000 0.447 361 S N 0.156 115.841 115.700 -0.026 0.000 2.454 361 S HA 0.478 4.948 4.470 -0.000 0.000 0.306 361 S C 0.217 174.808 174.600 -0.016 0.000 1.100 361 S CA -0.700 57.490 58.200 -0.018 0.000 1.087 361 S CB 1.676 64.865 63.200 -0.019 0.000 1.019 361 S HN 0.775 nan 8.310 nan 0.000 0.480 362 G N 1.499 110.293 108.800 -0.010 0.000 2.484 362 G HA2 0.504 4.463 3.960 -0.000 0.000 0.235 362 G HA3 0.504 4.463 3.960 -0.000 0.000 0.235 362 G C -0.179 174.718 174.900 -0.005 0.000 1.282 362 G CA 0.190 45.286 45.100 -0.006 0.000 0.857 362 G HN 1.035 nan 8.290 nan 0.000 0.571 363 A N 1.543 124.362 122.820 -0.002 0.000 2.540 363 A HA 0.650 4.970 4.320 -0.000 0.000 0.291 363 A C -0.704 176.882 177.584 0.004 0.000 1.083 363 A CA -0.771 51.266 52.037 -0.001 0.000 0.650 363 A CB 0.754 19.750 19.000 -0.007 0.000 1.292 363 A HN 0.643 nan 8.150 nan 0.000 0.435 364 Q N 0.585 120.389 119.800 0.006 0.000 2.314 364 Q HA 0.492 4.832 4.340 -0.000 0.000 0.257 364 Q C -0.161 175.843 176.000 0.006 0.000 0.975 364 Q CA -0.475 55.334 55.803 0.010 0.000 0.933 364 Q CB 1.305 30.050 28.738 0.011 0.000 1.195 364 Q HN 0.909 nan 8.270 nan 0.000 0.426 365 V N -0.050 119.868 119.914 0.007 0.000 3.046 365 V HA 0.700 4.819 4.120 -0.000 0.000 0.316 365 V C -0.659 175.435 176.094 0.000 0.000 1.104 365 V CA -1.286 61.016 62.300 0.002 0.000 1.006 365 V CB 2.206 34.029 31.823 -0.000 0.000 1.058 365 V HN 0.822 nan 8.190 nan 0.000 0.440 366 M N 2.858 122.455 119.600 -0.004 0.000 2.190 366 M HA 0.791 5.271 4.480 -0.000 0.000 0.312 366 M C -0.061 176.220 176.300 -0.032 0.000 0.990 366 M CA -0.610 54.684 55.300 -0.009 0.000 0.927 366 M CB 1.439 34.042 32.600 0.005 0.000 1.571 366 M HN 1.206 nan 8.290 nan 0.000 0.427 367 A N 2.905 125.691 122.820 -0.056 0.000 2.477 367 A HA 0.417 4.736 4.320 -0.000 0.000 0.246 367 A C 0.852 178.326 177.584 -0.184 0.000 1.078 367 A CA 0.244 52.209 52.037 -0.119 0.000 0.770 367 A CB -0.030 18.891 19.000 -0.131 0.000 1.011 367 A HN 0.961 nan 8.150 nan 0.000 0.494 368 T N -1.551 112.817 114.554 -0.309 0.000 2.959 368 T HA 0.360 4.710 4.350 -0.000 0.000 0.254 368 T C 0.022 174.281 174.700 -0.736 0.000 1.003 368 T CA 0.659 62.544 62.100 -0.360 0.000 0.950 368 T CB -0.394 68.389 68.868 -0.142 0.000 1.090 368 T HN 0.876 nan 8.240 nan 0.000 0.503 369 D N -0.817 119.107 120.400 -0.794 0.000 2.692 369 D HA 0.384 5.024 4.640 -0.000 0.000 0.290 369 D C 0.690 176.765 176.300 -0.375 0.000 1.281 369 D CA -0.933 52.686 54.000 -0.634 0.000 0.804 369 D CB 0.688 41.313 40.800 -0.291 0.000 1.331 369 D HN -0.107 nan 8.370 nan 0.000 0.432 370 L N 0.510 121.646 121.223 -0.144 0.000 1.963 370 L HA -0.128 4.212 4.340 -0.000 0.000 0.220 370 L C 1.976 178.859 176.870 0.021 0.000 1.076 370 L CA 1.944 56.784 54.840 -0.000 0.000 0.772 370 L CB -0.660 41.423 42.059 0.039 0.000 0.892 370 L HN 0.490 nan 8.230 nan 0.000 0.435 371 R N -0.076 120.419 120.500 -0.008 0.000 2.115 371 R HA 0.058 4.397 4.340 -0.000 0.000 0.230 371 R C 2.186 178.428 176.300 -0.097 0.000 1.111 371 R CA 1.196 57.298 56.100 0.003 0.000 0.976 371 R CB -1.481 28.813 30.300 -0.009 0.000 0.870 371 R HN 0.579 nan 8.270 nan 0.000 0.445 372 A N 1.413 124.148 122.820 -0.143 0.000 1.898 372 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 372 A C 2.373 179.883 177.584 -0.122 0.000 1.181 372 A CA 1.994 53.940 52.037 -0.150 0.000 0.620 372 A CB -0.627 18.322 19.000 -0.086 0.000 0.819 372 A HN 0.452 nan 8.150 nan 0.000 0.442 373 S N 0.463 116.077 115.700 -0.144 0.000 2.370 373 S HA -0.075 4.395 4.470 -0.000 0.000 0.226 373 S C 2.112 176.623 174.600 -0.148 0.000 1.033 373 S CA 1.610 59.725 58.200 -0.140 0.000 1.011 373 S CB -0.807 62.305 63.200 -0.145 0.000 0.852 373 S HN 0.974 nan 8.310 nan 0.000 0.457 374 A N 1.523 124.226 122.820 -0.195 0.000 1.933 374 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 374 A C 2.477 179.939 177.584 -0.203 0.000 1.175 374 A CA 1.816 53.663 52.037 -0.317 0.000 0.628 374 A CB -1.206 17.477 19.000 -0.528 0.000 0.814 374 A HN 0.574 nan 8.150 nan 0.000 0.444 375 S N -0.080 115.532 115.700 -0.145 0.000 2.368 375 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 375 S C 1.789 176.350 174.600 -0.065 0.000 1.030 375 S CA 1.399 59.537 58.200 -0.103 0.000 0.999 375 S CB -0.419 62.715 63.200 -0.109 0.000 0.844 375 S HN 0.525 nan 8.310 nan 0.000 0.459 376 L N 0.940 122.132 121.223 -0.053 0.000 2.141 376 L HA -0.046 4.293 4.340 -0.000 0.000 0.209 376 L C 2.247 179.107 176.870 -0.017 0.000 1.094 376 L CA 0.700 55.526 54.840 -0.024 0.000 0.763 376 L CB -0.596 41.450 42.059 -0.020 0.000 0.908 376 L HN 0.209 nan 8.230 nan 0.000 0.437 377 V N 0.127 120.026 119.914 -0.025 0.000 2.379 377 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 377 V C 2.382 178.462 176.094 -0.022 0.000 1.044 377 V CA 1.394 63.704 62.300 0.017 0.000 1.036 377 V CB -0.231 31.629 31.823 0.061 0.000 0.664 377 V HN 0.340 nan 8.190 nan 0.000 0.453 378 L N 0.065 121.250 121.223 -0.063 0.000 2.083 378 L HA -0.151 4.188 4.340 -0.000 0.000 0.209 378 L C 2.735 179.582 176.870 -0.039 0.000 1.083 378 L CA 1.461 56.263 54.840 -0.063 0.000 0.752 378 L CB -0.822 41.182 42.059 -0.092 0.000 0.899 378 L HN 0.370 nan 8.230 nan 0.000 0.433 379 A N 0.515 123.316 122.820 -0.033 0.000 1.908 379 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 379 A C 2.418 179.993 177.584 -0.016 0.000 1.181 379 A CA 1.805 53.829 52.037 -0.022 0.000 0.627 379 A CB -1.275 17.716 19.000 -0.015 0.000 0.818 379 A HN 0.439 nan 8.150 nan 0.000 0.445 380 G N -1.015 107.780 108.800 -0.009 0.000 2.442 380 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 380 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 380 G C 1.540 176.434 174.900 -0.011 0.000 1.141 380 G CA 1.297 46.395 45.100 -0.004 0.000 0.763 380 G HN 0.533 nan 8.290 nan 0.000 0.554 381 C N 0.691 119.981 119.300 -0.016 0.000 2.425 381 C HA 0.025 4.485 4.460 -0.000 0.000 0.277 381 C C 2.620 177.601 174.990 -0.015 0.000 1.280 381 C CA 0.915 59.922 59.018 -0.018 0.000 1.744 381 C CB -0.885 26.843 27.740 -0.019 0.000 1.989 381 C HN 0.665 nan 8.230 nan 0.000 0.491 382 I N -1.185 119.375 120.570 -0.016 0.000 3.968 382 I HA 0.387 4.557 4.170 -0.000 0.000 0.328 382 I C 1.020 177.130 176.117 -0.012 0.000 1.290 382 I CA -0.133 61.159 61.300 -0.014 0.000 1.163 382 I CB -0.386 37.604 38.000 -0.016 0.000 1.024 382 I HN 0.063 nan 8.210 nan 0.000 0.413 383 A N 1.606 124.418 122.820 -0.013 0.000 2.332 383 A HA 0.292 4.612 4.320 -0.000 0.000 0.258 383 A C -0.095 177.484 177.584 -0.009 0.000 1.087 383 A CA -0.167 51.862 52.037 -0.012 0.000 0.802 383 A CB 0.241 19.233 19.000 -0.012 0.000 1.042 383 A HN 0.404 nan 8.150 nan 0.000 0.489 384 E N 0.036 120.231 120.200 -0.009 0.000 2.052 384 E HA 0.476 4.826 4.350 -0.000 0.000 0.283 384 E C 0.650 177.247 176.600 -0.006 0.000 1.071 384 E CA 1.475 57.871 56.400 -0.006 0.000 0.851 384 E CB -0.088 29.609 29.700 -0.005 0.000 1.066 384 E HN 1.369 nan 8.360 nan 0.000 0.396 385 G N 2.657 111.454 108.800 -0.005 0.000 2.378 385 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.198 385 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.198 385 G C -0.594 174.304 174.900 -0.004 0.000 1.223 385 G CA -0.450 44.647 45.100 -0.004 0.000 1.088 385 G HN 0.456 nan 8.290 nan 0.000 0.530 386 T N 1.434 115.987 114.554 -0.001 0.000 2.767 386 T HA 0.678 5.028 4.350 -0.000 0.000 0.284 386 T C -0.158 174.546 174.700 0.005 0.000 0.973 386 T CA 0.275 62.376 62.100 0.002 0.000 0.996 386 T CB 1.452 70.322 68.868 0.004 0.000 0.927 386 T HN 0.715 nan 8.240 nan 0.000 0.456 387 T N 2.682 117.242 114.554 0.009 0.000 2.829 387 T HA 0.561 4.911 4.350 -0.000 0.000 0.280 387 T C -0.508 174.211 174.700 0.031 0.000 0.999 387 T CA -0.550 61.559 62.100 0.015 0.000 0.983 387 T CB 1.358 70.234 68.868 0.013 0.000 0.968 387 T HN 0.317 nan 8.240 nan 0.000 0.446 388 V N 3.593 123.526 119.914 0.033 0.000 2.376 388 V HA 0.356 4.476 4.120 -0.000 0.000 0.287 388 V C -0.258 175.863 176.094 0.045 0.000 1.015 388 V CA -0.793 61.536 62.300 0.048 0.000 0.834 388 V CB 1.616 33.462 31.823 0.038 0.000 1.001 388 V HN 0.730 nan 8.190 nan 0.000 0.428 389 V N 3.974 123.928 119.914 0.066 0.000 2.334 389 V HA 0.276 4.396 4.120 -0.000 0.000 0.267 389 V C 0.120 176.213 176.094 -0.002 0.000 1.040 389 V CA -0.366 61.951 62.300 0.028 0.000 0.866 389 V CB 1.266 33.109 31.823 0.033 0.000 1.019 389 V HN 0.899 nan 8.190 nan 0.000 0.468 390 D N 4.007 124.403 120.400 -0.006 0.000 2.339 390 D HA 0.314 4.954 4.640 -0.000 0.000 0.245 390 D C 0.796 177.072 176.300 -0.041 0.000 1.115 390 D CA -0.103 53.893 54.000 -0.007 0.000 0.917 390 D CB 0.463 41.273 40.800 0.016 0.000 1.192 390 D HN 0.496 nan 8.370 nan 0.000 0.428 391 R N 1.690 122.173 120.500 -0.028 0.000 3.423 391 R HA -0.179 4.160 4.340 -0.000 0.000 0.271 391 R C 0.828 176.939 176.300 -0.315 0.000 1.093 391 R CA 0.545 56.593 56.100 -0.087 0.000 0.730 391 R CB -2.176 28.085 30.300 -0.065 0.000 1.190 391 R HN 0.488 nan 8.270 nan 0.000 0.437 392 I N -2.142 118.259 120.570 -0.282 0.000 3.334 392 I HA -0.133 4.036 4.170 -0.000 0.000 0.282 392 I C 1.999 177.904 176.117 -0.352 0.000 1.313 392 I CA 0.637 61.678 61.300 -0.431 0.000 1.396 392 I CB -0.937 36.541 38.000 -0.869 0.000 1.054 392 I HN 0.337 nan 8.210 nan 0.000 0.495 393 Y N -0.002 120.174 120.300 -0.207 0.000 2.256 393 Y HA -0.240 4.309 4.550 -0.000 0.000 0.288 393 Y C 2.390 178.201 175.900 -0.148 0.000 1.155 393 Y CA 1.460 59.449 58.100 -0.186 0.000 1.203 393 Y CB -1.672 36.664 38.460 -0.207 0.000 0.980 393 Y HN 0.209 nan 8.280 nan 0.000 0.530 394 H N 0.561 119.272 119.070 -0.598 0.000 2.353 394 H HA -0.201 4.355 4.556 -0.000 0.000 0.298 394 H C 2.383 177.642 175.328 -0.114 0.000 1.103 394 H CA 2.093 57.934 56.048 -0.345 0.000 1.293 394 H CB -0.408 29.089 29.762 -0.441 0.000 1.372 394 H HN 0.504 nan 8.280 nan 0.000 0.501 395 I N 1.099 121.657 120.570 -0.020 0.000 2.454 395 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 395 I C 1.271 177.469 176.117 0.134 0.000 1.156 395 I CA 1.082 62.407 61.300 0.043 0.000 1.433 395 I CB -0.003 37.930 38.000 -0.113 0.000 1.082 395 I HN 0.093 nan 8.210 nan 0.000 0.432 396 D N 0.361 120.804 120.400 0.072 0.000 2.348 396 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 396 D C 2.102 178.467 176.300 0.108 0.000 0.970 396 D CA 0.582 54.643 54.000 0.102 0.000 0.889 396 D CB -0.074 40.772 40.800 0.076 0.000 0.912 396 D HN 0.381 nan 8.370 nan 0.000 0.524 397 R N -0.203 120.364 120.500 0.111 0.000 2.090 397 R HA 0.020 4.360 4.340 -0.000 0.000 0.228 397 R C 1.890 178.227 176.300 0.061 0.000 1.110 397 R CA 1.192 57.345 56.100 0.088 0.000 0.973 397 R CB 0.109 30.465 30.300 0.094 0.000 0.869 397 R HN 0.105 nan 8.270 nan 0.000 0.440 398 G N -1.796 107.044 108.800 0.066 0.000 3.274 398 G HA2 0.091 4.050 3.960 -0.000 0.000 0.250 398 G HA3 0.091 4.050 3.960 -0.000 0.000 0.250 398 G C -0.553 174.205 174.900 -0.236 0.000 1.024 398 G CA -0.200 44.851 45.100 -0.083 0.000 0.840 398 G HN 0.061 nan 8.290 nan 0.000 0.522 399 Y N 0.658 120.985 120.300 0.046 0.000 2.338 399 Y HA 0.414 4.964 4.550 -0.000 0.000 0.333 399 Y C -0.041 175.914 175.900 0.092 0.000 0.968 399 Y CA -1.289 56.853 58.100 0.070 0.000 1.123 399 Y CB 1.739 40.236 38.460 0.061 0.000 1.165 399 Y HN 0.056 nan 8.280 nan 0.000 0.452 400 E N 4.221 124.549 120.200 0.213 0.000 2.180 400 E HA 0.266 4.616 4.350 -0.000 0.000 0.283 400 E C -0.280 176.436 176.600 0.194 0.000 1.061 400 E CA -0.395 56.104 56.400 0.164 0.000 0.861 400 E CB 0.294 30.059 29.700 0.108 0.000 1.056 400 E HN 0.690 nan 8.360 nan 0.000 0.407 401 R N 3.429 124.032 120.500 0.172 0.000 3.251 401 R HA -0.225 4.115 4.340 -0.000 0.000 0.249 401 R C 1.024 177.443 176.300 0.199 0.000 0.949 401 R CA 0.544 56.740 56.100 0.159 0.000 0.645 401 R CB -1.913 28.453 30.300 0.109 0.000 1.065 401 R HN 0.767 nan 8.270 nan 0.000 0.452 402 I N 0.367 121.088 120.570 0.253 0.000 2.394 402 I HA -0.253 3.916 4.170 -0.000 0.000 0.251 402 I C 2.433 178.658 176.117 0.180 0.000 1.136 402 I CA 1.873 63.335 61.300 0.271 0.000 1.425 402 I CB -0.028 38.076 38.000 0.173 0.000 1.079 402 I HN 0.500 nan 8.210 nan 0.000 0.425 403 E N 0.648 120.925 120.200 0.128 0.000 2.110 403 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 403 E C 1.510 178.092 176.600 -0.031 0.000 0.988 403 E CA 1.727 58.089 56.400 -0.063 0.000 0.804 403 E CB 0.025 29.638 29.700 -0.145 0.000 0.745 403 E HN 0.493 nan 8.360 nan 0.000 0.458 404 D N 0.533 120.950 120.400 0.028 0.000 2.103 404 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 404 D C 1.838 178.147 176.300 0.016 0.000 0.978 404 D CA 0.994 55.003 54.000 0.014 0.000 0.829 404 D CB -0.099 40.717 40.800 0.027 0.000 0.981 404 D HN 0.179 nan 8.370 nan 0.000 0.464 405 K N 0.344 120.775 120.400 0.052 0.000 2.097 405 K HA -0.047 4.272 4.320 -0.000 0.000 0.206 405 K C 2.296 178.918 176.600 0.036 0.000 1.049 405 K CA 0.573 56.861 56.287 0.002 0.000 0.933 405 K CB -0.100 32.400 32.500 0.000 0.000 0.717 405 K HN 0.142 nan 8.250 nan 0.000 0.442 406 L N 0.450 121.755 121.223 0.135 0.000 2.056 406 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 406 L C 2.753 179.639 176.870 0.027 0.000 1.078 406 L CA 1.002 55.917 54.840 0.126 0.000 0.749 406 L CB -0.309 41.802 42.059 0.087 0.000 0.901 406 L HN 0.184 nan 8.230 nan 0.000 0.433 407 R N 0.469 120.962 120.500 -0.012 0.000 2.083 407 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 407 R C 2.181 178.466 176.300 -0.024 0.000 1.137 407 R CA 1.533 57.614 56.100 -0.032 0.000 0.951 407 R CB -0.282 29.990 30.300 -0.046 0.000 0.851 407 R HN 0.327 nan 8.270 nan 0.000 0.434 408 A N 0.335 123.139 122.820 -0.026 0.000 2.225 408 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 408 A C 1.733 179.296 177.584 -0.036 0.000 1.164 408 A CA 0.911 52.927 52.037 -0.035 0.000 0.710 408 A CB -0.218 18.752 19.000 -0.049 0.000 0.780 408 A HN 0.376 nan 8.150 nan 0.000 0.473 409 L N -2.081 119.129 121.223 -0.021 0.000 2.640 409 L HA 0.303 4.643 4.340 -0.000 0.000 0.230 409 L C 1.480 178.347 176.870 -0.005 0.000 1.123 409 L CA 0.551 55.384 54.840 -0.012 0.000 0.900 409 L CB 0.322 42.391 42.059 0.018 0.000 1.146 409 L HN 0.514 nan 8.230 nan 0.000 0.484 410 G N -0.054 108.739 108.800 -0.011 0.000 2.168 410 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.197 410 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.197 410 G C 0.328 175.218 174.900 -0.016 0.000 0.997 410 G CA -0.155 44.937 45.100 -0.013 0.000 0.658 410 G HN 0.388 nan 8.290 nan 0.000 0.513 411 A N 0.033 122.843 122.820 -0.017 0.000 2.371 411 A HA 0.613 4.933 4.320 -0.000 0.000 0.257 411 A C 0.485 178.041 177.584 -0.046 0.000 1.089 411 A CA 0.133 52.153 52.037 -0.029 0.000 0.794 411 A CB 0.432 19.413 19.000 -0.032 0.000 1.029 411 A HN 0.491 nan 8.150 nan 0.000 0.488 412 N N 1.848 120.519 118.700 -0.049 0.000 2.817 412 N HA 0.339 5.079 4.740 -0.000 0.000 0.234 412 N C -1.416 174.046 175.510 -0.080 0.000 1.066 412 N CA -0.048 52.969 53.050 -0.054 0.000 0.926 412 N CB 0.329 38.794 38.487 -0.037 0.000 1.176 412 N HN 0.655 nan 8.380 nan 0.000 0.506 413 I N 0.981 121.478 120.570 -0.121 0.000 2.545 413 I HA 0.414 4.583 4.170 -0.000 0.000 0.292 413 I C -1.071 174.920 176.117 -0.210 0.000 1.040 413 I CA -0.670 60.510 61.300 -0.201 0.000 1.068 413 I CB 1.972 39.782 38.000 -0.316 0.000 1.251 413 I HN 0.316 nan 8.210 nan 0.000 0.424 414 E N 7.283 127.369 120.200 -0.191 0.000 2.256 414 E HA 0.341 4.691 4.350 -0.000 0.000 0.268 414 E C -1.300 175.262 176.600 -0.064 0.000 0.877 414 E CA -0.949 55.383 56.400 -0.113 0.000 0.757 414 E CB 1.779 31.451 29.700 -0.046 0.000 1.183 414 E HN 0.601 nan 8.360 nan 0.000 0.418 415 R N 4.644 125.146 120.500 0.004 0.000 2.230 415 R HA 0.251 4.590 4.340 -0.000 0.000 0.337 415 R C -0.329 176.059 176.300 0.146 0.000 1.063 415 R CA -0.407 55.814 56.100 0.202 0.000 0.935 415 R CB 0.391 30.865 30.300 0.290 0.000 1.121 415 R HN 0.382 nan 8.270 nan 0.000 0.486 416 V N 1.355 121.357 119.914 0.147 0.000 2.863 416 V HA 0.493 4.613 4.120 -0.000 0.000 0.307 416 V C -0.228 175.917 176.094 0.084 0.000 1.061 416 V CA -1.015 61.340 62.300 0.092 0.000 1.024 416 V CB 1.498 33.365 31.823 0.073 0.000 1.049 416 V HN 0.513 nan 8.190 nan 0.000 0.471 417 K N 2.411 122.846 120.400 0.058 0.000 2.144 417 K HA 0.461 4.781 4.320 -0.000 0.000 0.270 417 K C 0.708 177.332 176.600 0.039 0.000 1.005 417 K CA 0.404 56.719 56.287 0.046 0.000 0.932 417 K CB 1.343 33.864 32.500 0.035 0.000 1.021 417 K HN 1.142 nan 8.250 nan 0.000 0.462 418 G N 1.575 110.396 108.800 0.034 0.000 2.785 418 G HA2 0.002 3.961 3.960 -0.000 0.000 0.256 418 G HA3 0.002 3.961 3.960 -0.000 0.000 0.256 418 G C -0.419 174.495 174.900 0.025 0.000 1.248 418 G CA -0.033 45.085 45.100 0.030 0.000 0.914 418 G HN 0.607 nan 8.290 nan 0.000 0.580 419 E N 0.000 120.214 120.200 0.023 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.411 56.400 0.019 0.000 0.976 419 E CB 0.000 29.709 29.700 0.014 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440