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 1ryw_1_F DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR 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 AFPTDMQAQF 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 0.000 176.322 176.300 0.037 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 D N 3.835 124.259 120.400 0.041 0.000 2.378 2 D HA 0.482 5.121 4.640 -0.001 0.000 0.238 2 D C -0.388 175.928 176.300 0.027 0.000 1.180 2 D CA 0.639 54.666 54.000 0.045 0.000 0.895 2 D CB 0.737 41.565 40.800 0.046 0.000 1.192 2 D HN 0.527 nan 8.370 nan 0.000 0.438 3 K N 0.202 120.637 120.400 0.058 0.000 2.533 3 K HA 0.464 4.784 4.320 -0.001 0.000 0.272 3 K C -0.964 175.781 176.600 0.241 0.000 0.985 3 K CA -0.765 55.558 56.287 0.059 0.000 0.876 3 K CB 1.989 34.533 32.500 0.074 0.000 1.452 3 K HN 0.294 nan 8.250 nan 0.000 0.439 4 F N 1.298 121.255 119.950 0.012 0.000 2.467 4 F HA 0.412 4.939 4.527 -0.001 0.000 0.336 4 F C 0.205 176.006 175.800 0.002 0.000 1.123 4 F CA -1.027 56.975 58.000 0.004 0.000 0.964 4 F CB 1.957 40.952 39.000 -0.009 0.000 1.136 4 F HN 0.220 nan 8.300 nan 0.000 0.447 5 R N 3.855 124.447 120.500 0.153 0.000 2.294 5 R HA 0.639 4.978 4.340 -0.001 0.000 0.319 5 R C -1.748 174.565 176.300 0.023 0.000 0.984 5 R CA -0.403 55.741 56.100 0.074 0.000 0.861 5 R CB 1.498 31.825 30.300 0.046 0.000 1.104 5 R HN 0.483 nan 8.270 nan 0.000 0.451 6 V N 4.194 124.122 119.914 0.024 0.000 2.680 6 V HA 0.358 4.477 4.120 -0.001 0.000 0.309 6 V C -0.675 175.417 176.094 -0.005 0.000 1.052 6 V CA -0.979 61.317 62.300 -0.007 0.000 0.908 6 V CB 1.967 33.793 31.823 0.004 0.000 1.001 6 V HN 0.698 nan 8.190 nan 0.000 0.431 7 Q N 2.612 122.402 119.800 -0.016 0.000 2.341 7 Q HA 0.665 5.004 4.340 -0.001 0.000 0.268 7 Q C 0.063 176.056 176.000 -0.012 0.000 1.013 7 Q CA -0.088 55.709 55.803 -0.010 0.000 0.798 7 Q CB 2.277 31.008 28.738 -0.012 0.000 1.253 7 Q HN 1.002 nan 8.270 nan 0.000 0.457 8 G N 2.601 111.396 108.800 -0.008 0.000 2.816 8 G HA2 0.760 4.719 3.960 -0.001 0.000 0.288 8 G HA3 0.760 4.719 3.960 -0.001 0.000 0.288 8 G C -2.773 172.122 174.900 -0.007 0.000 1.334 8 G CA -1.326 43.768 45.100 -0.009 0.000 0.978 8 G HN 0.289 nan 8.290 nan 0.000 0.493 9 P HA 0.384 nan 4.420 nan 0.000 0.279 9 P C -0.727 176.568 177.300 -0.009 0.000 1.252 9 P CA -0.090 63.005 63.100 -0.009 0.000 0.811 9 P CB 1.608 33.302 31.700 -0.009 0.000 1.035 10 T N -1.400 113.148 114.554 -0.009 0.000 3.105 10 T HA 0.374 4.724 4.350 -0.001 0.000 0.321 10 T C -0.519 174.177 174.700 -0.006 0.000 1.135 10 T CA -1.014 61.081 62.100 -0.008 0.000 1.053 10 T CB 1.285 70.147 68.868 -0.010 0.000 1.133 10 T HN 0.436 nan 8.240 nan 0.000 0.463 11 R N 3.306 123.803 120.500 -0.004 0.000 2.248 11 R HA 0.475 4.815 4.340 -0.001 0.000 0.328 11 R C -0.481 175.820 176.300 0.001 0.000 1.067 11 R CA -0.675 55.423 56.100 -0.003 0.000 0.924 11 R CB 0.127 30.425 30.300 -0.002 0.000 1.013 11 R HN 0.697 nan 8.270 nan 0.000 0.454 12 L N 6.330 127.557 121.223 0.006 0.000 2.313 12 L HA 0.222 4.562 4.340 -0.001 0.000 0.282 12 L C 0.106 176.987 176.870 0.019 0.000 1.092 12 L CA 0.001 54.853 54.840 0.020 0.000 0.831 12 L CB 0.779 42.861 42.059 0.037 0.000 1.159 12 L HN 0.726 nan 8.230 nan 0.000 0.442 13 Q N 2.944 122.753 119.800 0.014 0.000 2.435 13 Q HA 0.817 5.157 4.340 -0.001 0.000 0.282 13 Q C -0.375 175.624 176.000 -0.003 0.000 1.020 13 Q CA -0.466 55.340 55.803 0.005 0.000 0.820 13 Q CB 2.989 31.724 28.738 -0.005 0.000 1.436 13 Q HN 0.670 nan 8.270 nan 0.000 0.395 14 G N 1.011 109.804 108.800 -0.012 0.000 2.217 14 G HA2 0.034 3.994 3.960 -0.001 0.000 0.126 14 G HA3 0.034 3.994 3.960 -0.001 0.000 0.126 14 G C -1.488 173.389 174.900 -0.037 0.000 1.293 14 G CA -0.313 44.771 45.100 -0.026 0.000 1.219 14 G HN 0.673 nan 8.290 nan 0.000 0.477 15 E N -1.615 118.550 120.200 -0.058 0.000 2.413 15 E HA 0.625 4.974 4.350 -0.001 0.000 0.277 15 E C -1.643 174.875 176.600 -0.137 0.000 0.958 15 E CA -0.694 55.659 56.400 -0.078 0.000 0.779 15 E CB 3.298 32.955 29.700 -0.072 0.000 1.278 15 E HN 0.931 nan 8.360 nan 0.000 0.456 16 V N 0.788 120.596 119.914 -0.177 0.000 3.012 16 V HA 0.481 4.600 4.120 -0.001 0.000 0.307 16 V C -1.515 174.465 176.094 -0.191 0.000 1.166 16 V CA -0.234 61.887 62.300 -0.299 0.000 0.974 16 V CB 2.495 33.897 31.823 -0.702 0.000 1.040 16 V HN 0.712 nan 8.190 nan 0.000 0.428 17 T N 7.470 121.927 114.554 -0.160 0.000 2.801 17 T HA 0.496 4.845 4.350 -0.001 0.000 0.306 17 T C -0.105 174.557 174.700 -0.063 0.000 1.020 17 T CA -0.255 61.798 62.100 -0.078 0.000 0.948 17 T CB 0.336 69.174 68.868 -0.051 0.000 0.962 17 T HN 0.482 nan 8.240 nan 0.000 0.465 18 I N 3.259 123.814 120.570 -0.024 0.000 2.775 18 I HA 0.053 4.223 4.170 -0.001 0.000 0.290 18 I C 1.203 177.332 176.117 0.019 0.000 1.203 18 I CA 0.327 61.639 61.300 0.021 0.000 1.433 18 I CB -0.098 37.932 38.000 0.050 0.000 1.354 18 I HN 0.544 nan 8.210 nan 0.000 0.579 19 S N 4.087 119.808 115.700 0.035 0.000 2.681 19 S HA 0.538 5.007 4.470 -0.001 0.000 0.270 19 S C 0.623 175.226 174.600 0.004 0.000 1.209 19 S CA -0.598 57.614 58.200 0.019 0.000 0.988 19 S CB 1.261 64.481 63.200 0.034 0.000 1.006 19 S HN 0.855 nan 8.310 nan 0.000 0.558 20 G N 0.083 108.877 108.800 -0.011 0.000 2.544 20 G HA2 0.448 4.408 3.960 -0.001 0.000 0.242 20 G HA3 0.448 4.408 3.960 -0.001 0.000 0.242 20 G C -0.060 174.826 174.900 -0.023 0.000 1.247 20 G CA -0.375 44.712 45.100 -0.022 0.000 0.840 20 G HN 0.899 nan 8.290 nan 0.000 0.578 21 A N 1.354 124.160 122.820 -0.024 0.000 2.492 21 A HA 0.266 4.585 4.320 -0.001 0.000 0.254 21 A C 1.637 179.205 177.584 -0.026 0.000 1.091 21 A CA 0.248 52.268 52.037 -0.029 0.000 0.768 21 A CB 0.330 19.314 19.000 -0.027 0.000 1.028 21 A HN 0.915 nan 8.150 nan 0.000 0.498 22 K N 2.403 122.783 120.400 -0.033 0.000 2.032 22 K HA -0.182 4.137 4.320 -0.001 0.000 0.209 22 K C 0.584 177.204 176.600 0.034 0.000 1.048 22 K CA 1.982 58.264 56.287 -0.010 0.000 0.927 22 K CB -0.128 32.350 32.500 -0.036 0.000 0.712 22 K HN 0.731 nan 8.250 nan 0.000 0.441 23 N N 0.103 118.823 118.700 0.035 0.000 2.521 23 N HA -0.006 4.734 4.740 -0.001 0.000 0.188 23 N C 0.782 176.312 175.510 0.034 0.000 1.146 23 N CA 0.793 53.895 53.050 0.087 0.000 0.893 23 N CB 0.675 39.218 38.487 0.093 0.000 0.975 23 N HN 0.364 nan 8.380 nan 0.000 0.451 24 A N 0.069 122.880 122.820 -0.014 0.000 1.984 24 A HA 0.439 4.759 4.320 -0.001 0.000 0.203 24 A C 2.164 179.688 177.584 -0.100 0.000 1.292 24 A CA 0.701 52.700 52.037 -0.064 0.000 0.782 24 A CB -0.390 18.588 19.000 -0.037 0.000 0.924 24 A HN 0.178 nan 8.150 nan 0.000 0.475 25 A N 0.337 123.117 122.820 -0.066 0.000 1.902 25 A HA -0.032 4.287 4.320 -0.001 0.000 0.217 25 A C 2.124 179.664 177.584 -0.073 0.000 1.181 25 A CA 1.511 53.493 52.037 -0.092 0.000 0.623 25 A CB -0.674 18.291 19.000 -0.059 0.000 0.818 25 A HN 0.441 nan 8.150 nan 0.000 0.443 26 L N -0.043 121.202 121.223 0.036 0.000 1.976 26 L HA -0.120 4.220 4.340 -0.001 0.000 0.209 26 L C -0.170 176.808 176.870 0.180 0.000 1.071 26 L CA 1.880 56.841 54.840 0.202 0.000 0.746 26 L CB -1.374 40.929 42.059 0.407 0.000 0.890 26 L HN 0.299 nan 8.230 nan 0.000 0.432 27 P HA -0.180 nan 4.420 nan 0.000 0.217 27 P C 1.837 178.961 177.300 -0.294 0.000 1.150 27 P CA 1.649 64.394 63.100 -0.590 0.000 0.832 27 P CB 0.033 31.134 31.700 -0.997 0.000 0.787 28 I N -0.622 119.754 120.570 -0.324 0.000 2.226 28 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 28 I C 2.620 178.453 176.117 -0.473 0.000 1.100 28 I CA 1.127 62.095 61.300 -0.554 0.000 1.374 28 I CB -0.536 37.004 38.000 -0.767 0.000 1.057 28 I HN -0.151 nan 8.210 nan 0.000 0.413 29 L N -0.606 120.442 121.223 -0.291 0.000 2.083 29 L HA -0.213 4.127 4.340 -0.001 0.000 0.209 29 L C 2.307 179.047 176.870 -0.217 0.000 1.083 29 L CA 1.494 56.178 54.840 -0.260 0.000 0.752 29 L CB -0.458 41.437 42.059 -0.274 0.000 0.899 29 L HN 0.159 nan 8.230 nan 0.000 0.433 30 F N -0.662 119.266 119.950 -0.036 0.000 2.335 30 F HA -0.024 4.503 4.527 -0.000 0.000 0.296 30 F C 2.507 178.338 175.800 0.052 0.000 1.091 30 F CA 0.775 58.805 58.000 0.050 0.000 1.399 30 F CB -0.402 38.669 39.000 0.119 0.000 1.067 30 F HN -0.030 nan 8.300 nan 0.000 0.520 31 A N 0.116 123.037 122.820 0.168 0.000 1.969 31 A HA -0.042 4.277 4.320 -0.001 0.000 0.218 31 A C 2.364 180.113 177.584 0.275 0.000 1.169 31 A CA 1.366 53.521 52.037 0.196 0.000 0.635 31 A CB -1.121 18.011 19.000 0.220 0.000 0.810 31 A HN 0.276 nan 8.150 nan 0.000 0.445 32 A N -0.133 122.847 122.820 0.267 0.000 2.076 32 A HA -0.083 4.236 4.320 -0.001 0.000 0.220 32 A C 1.961 179.656 177.584 0.185 0.000 1.160 32 A CA 1.359 53.560 52.037 0.274 0.000 0.653 32 A CB -0.630 18.470 19.000 0.165 0.000 0.801 32 A HN 0.501 nan 8.150 nan 0.000 0.455 33 L N -0.831 120.501 121.223 0.182 0.000 2.447 33 L HA -0.149 4.191 4.340 -0.001 0.000 0.225 33 L C 1.979 178.978 176.870 0.214 0.000 1.148 33 L CA 0.596 55.568 54.840 0.219 0.000 0.808 33 L CB -0.311 41.911 42.059 0.271 0.000 0.928 33 L HN 0.432 nan 8.230 nan 0.000 0.448 34 L N -0.771 120.539 121.223 0.144 0.000 2.375 34 L HA 0.136 4.475 4.340 -0.001 0.000 0.215 34 L C 1.387 178.271 176.870 0.023 0.000 1.108 34 L CA -0.339 54.535 54.840 0.057 0.000 0.830 34 L CB -0.316 41.758 42.059 0.025 0.000 0.959 34 L HN 0.096 nan 8.230 nan 0.000 0.457 35 A N 0.589 123.442 122.820 0.056 0.000 2.454 35 A HA 0.096 4.416 4.320 -0.001 0.000 0.260 35 A C 0.928 178.543 177.584 0.052 0.000 1.106 35 A CA -0.133 51.922 52.037 0.030 0.000 0.780 35 A CB 0.122 19.153 19.000 0.051 0.000 1.044 35 A HN 0.334 nan 8.150 nan 0.000 0.498 36 E N 1.347 121.561 120.200 0.023 0.000 2.474 36 E HA 0.033 4.383 4.350 -0.001 0.000 0.194 36 E C -0.146 176.482 176.600 0.046 0.000 1.041 36 E CA 0.431 56.854 56.400 0.038 0.000 0.874 36 E CB 0.434 30.139 29.700 0.008 0.000 0.914 36 E HN 0.810 nan 8.360 nan 0.000 0.498 37 E N 0.714 120.938 120.200 0.041 0.000 2.369 37 E HA 0.300 4.650 4.350 -0.001 0.000 0.270 37 E C -2.723 173.917 176.600 0.066 0.000 0.909 37 E CA -2.624 53.804 56.400 0.047 0.000 0.775 37 E CB 1.994 31.712 29.700 0.031 0.000 1.270 37 E HN -0.188 nan 8.360 nan 0.000 0.445 38 P HA -0.102 nan 4.420 nan 0.000 0.263 38 P C -1.108 176.263 177.300 0.119 0.000 1.168 38 P CA 0.461 63.627 63.100 0.110 0.000 0.759 38 P CB 0.383 32.152 31.700 0.115 0.000 0.782 39 V N 3.161 123.161 119.914 0.143 0.000 2.735 39 V HA 0.370 4.490 4.120 -0.001 0.000 0.310 39 V C -0.080 176.080 176.094 0.111 0.000 1.061 39 V CA -0.474 61.913 62.300 0.145 0.000 0.913 39 V CB 2.150 34.088 31.823 0.192 0.000 1.005 39 V HN 0.472 nan 8.190 nan 0.000 0.428 40 E N 3.931 124.164 120.200 0.055 0.000 2.185 40 E HA 0.551 4.901 4.350 -0.001 0.000 0.261 40 E C -1.533 174.978 176.600 -0.148 0.000 0.879 40 E CA -0.558 55.732 56.400 -0.183 0.000 0.756 40 E CB 1.527 31.120 29.700 -0.179 0.000 1.152 40 E HN 0.639 nan 8.360 nan 0.000 0.416 41 I N 4.537 124.952 120.570 -0.257 0.000 2.330 41 I HA 0.188 4.358 4.170 -0.001 0.000 0.289 41 I C 0.166 176.124 176.117 -0.264 0.000 1.001 41 I CA -0.527 60.666 61.300 -0.178 0.000 1.193 41 I CB 1.417 39.295 38.000 -0.202 0.000 1.345 41 I HN 0.388 nan 8.210 nan 0.000 0.461 42 Q N 3.984 123.671 119.800 -0.188 0.000 2.193 42 Q HA 0.324 4.663 4.340 -0.001 0.000 0.246 42 Q C 0.355 176.272 176.000 -0.137 0.000 0.959 42 Q CA -0.766 54.922 55.803 -0.191 0.000 0.904 42 Q CB 0.800 29.447 28.738 -0.152 0.000 1.238 42 Q HN 0.581 nan 8.270 nan 0.000 0.469 43 N N -0.731 117.900 118.700 -0.115 0.000 2.747 43 N HA -0.164 4.576 4.740 -0.001 0.000 0.249 43 N C -1.583 173.884 175.510 -0.071 0.000 1.107 43 N CA 0.306 53.310 53.050 -0.078 0.000 0.707 43 N CB -0.954 37.490 38.487 -0.071 0.000 1.054 43 N HN 0.344 nan 8.380 nan 0.000 0.555 44 V N 1.761 121.622 119.914 -0.088 0.000 2.455 44 V HA 0.336 4.456 4.120 -0.001 0.000 0.273 44 V C -1.342 174.727 176.094 -0.042 0.000 1.045 44 V CA -0.969 61.286 62.300 -0.074 0.000 0.976 44 V CB 0.996 32.758 31.823 -0.101 0.000 0.993 44 V HN 0.197 nan 8.190 nan 0.000 0.475 45 P HA 0.177 nan 4.420 nan 0.000 0.272 45 P C -0.791 176.514 177.300 0.009 0.000 1.230 45 P CA -0.523 62.577 63.100 -0.001 0.000 0.788 45 P CB 0.913 32.614 31.700 0.001 0.000 0.949 46 K N 2.468 122.885 120.400 0.028 0.000 2.231 46 K HA 0.417 4.736 4.320 -0.001 0.000 0.275 46 K C -0.205 176.425 176.600 0.050 0.000 1.105 46 K CA -0.205 56.105 56.287 0.037 0.000 0.931 46 K CB -0.007 32.520 32.500 0.044 0.000 1.296 46 K HN 0.424 nan 8.250 nan 0.000 0.446 47 L N 1.281 122.530 121.223 0.043 0.000 2.350 47 L HA 0.357 4.696 4.340 -0.001 0.000 0.260 47 L C 1.324 178.225 176.870 0.051 0.000 1.015 47 L CA -1.097 53.775 54.840 0.053 0.000 0.821 47 L CB 1.378 43.462 42.059 0.042 0.000 1.370 47 L HN 0.308 nan 8.230 nan 0.000 0.416 48 K N 0.789 121.225 120.400 0.060 0.000 2.074 48 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 48 K C 1.101 177.730 176.600 0.049 0.000 1.048 48 K CA 1.833 58.152 56.287 0.054 0.000 0.926 48 K CB 0.057 32.596 32.500 0.065 0.000 0.713 48 K HN 0.622 nan 8.250 nan 0.000 0.444 49 D N 0.575 121.010 120.400 0.059 0.000 2.219 49 D HA -0.128 4.512 4.640 -0.001 0.000 0.205 49 D C 1.879 178.219 176.300 0.068 0.000 0.970 49 D CA 0.548 54.591 54.000 0.071 0.000 0.851 49 D CB 0.070 40.922 40.800 0.087 0.000 0.943 49 D HN 0.170 nan 8.370 nan 0.000 0.488 50 I N 1.567 122.165 120.570 0.046 0.000 2.315 50 I HA -0.175 3.994 4.170 -0.001 0.000 0.248 50 I C 1.731 177.853 176.117 0.010 0.000 1.117 50 I CA 1.087 62.400 61.300 0.021 0.000 1.404 50 I CB -0.780 37.226 38.000 0.009 0.000 1.071 50 I HN -0.069 nan 8.210 nan 0.000 0.419 51 D N 0.648 121.060 120.400 0.021 0.000 2.097 51 D HA -0.123 4.517 4.640 -0.001 0.000 0.197 51 D C 2.133 178.441 176.300 0.014 0.000 0.984 51 D CA 1.567 55.577 54.000 0.016 0.000 0.826 51 D CB -0.366 40.447 40.800 0.021 0.000 0.973 51 D HN 0.252 nan 8.370 nan 0.000 0.460 52 T N 0.480 115.049 114.554 0.026 0.000 2.788 52 T HA -0.103 4.247 4.350 -0.001 0.000 0.268 52 T C 2.011 176.734 174.700 0.038 0.000 1.044 52 T CA 1.514 63.634 62.100 0.033 0.000 1.139 52 T CB -0.398 68.498 68.868 0.046 0.000 0.867 52 T HN 0.151 nan 8.240 nan 0.000 0.454 53 T N 2.208 116.778 114.554 0.027 0.000 2.737 53 T HA 0.039 4.388 4.350 -0.001 0.000 0.265 53 T C 2.068 176.701 174.700 -0.112 0.000 1.038 53 T CA 1.032 63.099 62.100 -0.054 0.000 1.144 53 T CB -0.335 68.466 68.868 -0.113 0.000 0.866 53 T HN 0.332 nan 8.240 nan 0.000 0.434 54 M N 0.693 120.252 119.600 -0.068 0.000 2.159 54 M HA -0.103 4.376 4.480 -0.001 0.000 0.263 54 M C 2.315 178.597 176.300 -0.029 0.000 1.063 54 M CA 1.611 56.880 55.300 -0.052 0.000 1.110 54 M CB -0.392 32.197 32.600 -0.019 0.000 1.374 54 M HN 0.162 nan 8.290 nan 0.000 0.411 55 K N 0.588 120.982 120.400 -0.011 0.000 2.002 55 K HA -0.148 4.172 4.320 -0.001 0.000 0.209 55 K C 1.999 178.602 176.600 0.005 0.000 1.048 55 K CA 1.318 57.606 56.287 0.001 0.000 0.930 55 K CB -0.512 31.993 32.500 0.009 0.000 0.714 55 K HN 0.306 nan 8.250 nan 0.000 0.438 56 L N 1.555 122.789 121.223 0.018 0.000 2.013 56 L HA -0.237 4.103 4.340 -0.001 0.000 0.212 56 L C 2.221 179.105 176.870 0.025 0.000 1.073 56 L CA 1.307 56.176 54.840 0.048 0.000 0.753 56 L CB -0.210 41.920 42.059 0.118 0.000 0.890 56 L HN 0.213 nan 8.230 nan 0.000 0.432 57 L N -0.909 120.297 121.223 -0.028 0.000 1.989 57 L HA -0.252 4.087 4.340 -0.001 0.000 0.211 57 L C 2.538 179.400 176.870 -0.014 0.000 1.071 57 L CA 2.011 56.831 54.840 -0.034 0.000 0.749 57 L CB -1.086 40.919 42.059 -0.089 0.000 0.890 57 L HN 0.295 nan 8.230 nan 0.000 0.431 58 T N -1.048 113.497 114.554 -0.015 0.000 2.665 58 T HA -0.318 4.031 4.350 -0.001 0.000 0.268 58 T C 1.810 176.498 174.700 -0.019 0.000 1.035 58 T CA 1.607 63.701 62.100 -0.011 0.000 1.151 58 T CB -0.277 68.587 68.868 -0.006 0.000 0.862 58 T HN 0.366 nan 8.240 nan 0.000 0.438 59 Q N 0.357 120.149 119.800 -0.014 0.000 2.439 59 Q HA -0.017 4.323 4.340 -0.001 0.000 0.211 59 Q C 1.734 177.706 176.000 -0.047 0.000 0.978 59 Q CA 0.802 56.592 55.803 -0.022 0.000 0.897 59 Q CB -0.223 28.515 28.738 -0.001 0.000 0.956 59 Q HN 0.529 nan 8.270 nan 0.000 0.483 60 L N -1.175 120.022 121.223 -0.044 0.000 2.592 60 L HA 0.202 4.541 4.340 -0.001 0.000 0.227 60 L C 1.107 177.898 176.870 -0.133 0.000 1.127 60 L CA 0.536 55.324 54.840 -0.087 0.000 0.884 60 L CB 0.303 42.349 42.059 -0.022 0.000 1.065 60 L HN 0.429 nan 8.230 nan 0.000 0.457 61 G N 0.094 108.842 108.800 -0.087 0.000 2.134 61 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.209 61 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.209 61 G C 0.177 175.058 174.900 -0.033 0.000 0.993 61 G CA -0.044 45.008 45.100 -0.079 0.000 0.669 61 G HN 0.224 nan 8.290 nan 0.000 0.519 62 T N 1.309 115.855 114.554 -0.013 0.000 2.806 62 T HA 0.480 4.829 4.350 -0.001 0.000 0.290 62 T C 0.378 175.089 174.700 0.019 0.000 0.966 62 T CA -0.158 61.952 62.100 0.017 0.000 1.060 62 T CB 1.416 70.297 68.868 0.023 0.000 0.927 62 T HN 0.283 nan 8.240 nan 0.000 0.485 63 K N 2.787 123.208 120.400 0.035 0.000 2.284 63 K HA 0.498 4.817 4.320 -0.001 0.000 0.287 63 K C -0.764 175.871 176.600 0.058 0.000 1.081 63 K CA -0.419 55.891 56.287 0.039 0.000 0.910 63 K CB 0.659 33.184 32.500 0.041 0.000 1.088 63 K HN 0.289 nan 8.250 nan 0.000 0.478 64 V N 3.055 122.999 119.914 0.051 0.000 2.823 64 V HA 0.460 4.580 4.120 -0.001 0.000 0.312 64 V C -0.418 175.728 176.094 0.086 0.000 1.072 64 V CA -0.829 61.513 62.300 0.070 0.000 0.937 64 V CB 1.967 33.810 31.823 0.033 0.000 1.013 64 V HN 0.917 nan 8.190 nan 0.000 0.430 65 E N 3.306 123.593 120.200 0.144 0.000 2.396 65 E HA 0.702 5.052 4.350 -0.001 0.000 0.280 65 E C -1.446 175.328 176.600 0.289 0.000 1.065 65 E CA -1.180 55.318 56.400 0.163 0.000 0.831 65 E CB 2.847 32.619 29.700 0.121 0.000 1.272 65 E HN 0.781 nan 8.360 nan 0.000 0.443 66 R N -0.182 120.479 120.500 0.269 0.000 2.781 66 R HA 0.401 4.741 4.340 -0.001 0.000 0.268 66 R C -0.654 175.833 176.300 0.312 0.000 1.047 66 R CA -0.326 55.975 56.100 0.335 0.000 0.925 66 R CB 0.411 30.793 30.300 0.137 0.000 1.246 66 R HN 0.510 nan 8.270 nan 0.000 0.456 67 D N 0.277 120.856 120.400 0.298 0.000 2.101 67 D HA 0.074 4.714 4.640 -0.001 0.000 0.286 67 D C 1.420 177.790 176.300 0.116 0.000 1.145 67 D CA 0.929 55.059 54.000 0.216 0.000 0.883 67 D CB -1.022 39.917 40.800 0.231 0.000 0.935 67 D HN 0.620 nan 8.370 nan 0.000 0.313 68 G N -1.024 107.825 108.800 0.080 0.000 2.683 68 G HA2 0.169 4.129 3.960 -0.001 0.000 0.213 68 G HA3 0.169 4.129 3.960 -0.001 0.000 0.213 68 G C 0.494 175.332 174.900 -0.103 0.000 1.142 68 G CA 0.253 45.352 45.100 -0.002 0.000 0.793 68 G HN 0.365 nan 8.290 nan 0.000 0.534 69 S N -1.303 114.259 115.700 -0.230 0.000 2.739 69 S HA 0.679 5.149 4.470 -0.001 0.000 0.306 69 S C -0.937 173.305 174.600 -0.596 0.000 1.115 69 S CA -0.515 57.351 58.200 -0.557 0.000 0.985 69 S CB 2.406 64.996 63.200 -1.016 0.000 1.133 69 S HN -0.057 nan 8.310 nan 0.000 0.541 70 V N 1.728 121.271 119.914 -0.618 0.000 2.482 70 V HA 0.338 4.458 4.120 -0.001 0.000 0.295 70 V C -1.123 174.762 176.094 -0.348 0.000 1.026 70 V CA -0.609 61.510 62.300 -0.302 0.000 0.856 70 V CB 1.105 32.832 31.823 -0.159 0.000 1.001 70 V HN 0.778 nan 8.190 nan 0.000 0.424 71 W N 5.487 126.793 121.300 0.010 0.000 2.351 71 W HA 0.602 5.262 4.660 -0.000 0.000 0.311 71 W C -0.685 175.845 176.519 0.018 0.000 1.168 71 W CA -0.543 56.815 57.345 0.021 0.000 1.200 71 W CB 1.623 31.095 29.460 0.019 0.000 1.221 71 W HN 0.297 nan 8.180 nan 0.000 0.519 72 I N 2.980 123.664 120.570 0.190 0.000 2.545 72 I HA 0.161 4.331 4.170 -0.001 0.000 0.292 72 I C -0.642 175.557 176.117 0.136 0.000 1.040 72 I CA -0.648 60.730 61.300 0.130 0.000 1.068 72 I CB 1.993 40.040 38.000 0.079 0.000 1.251 72 I HN 0.281 nan 8.210 nan 0.000 0.424 73 D N 4.902 125.369 120.400 0.112 0.000 2.358 73 D HA 0.503 5.143 4.640 -0.001 0.000 0.253 73 D C -0.106 176.250 176.300 0.093 0.000 1.288 73 D CA -0.273 53.788 54.000 0.101 0.000 0.950 73 D CB 1.644 42.498 40.800 0.089 0.000 1.197 73 D HN 0.607 nan 8.370 nan 0.000 0.550 74 A N 2.527 125.413 122.820 0.109 0.000 2.507 74 A HA 0.165 4.484 4.320 -0.001 0.000 0.270 74 A C 1.787 179.467 177.584 0.160 0.000 1.318 74 A CA 0.408 52.526 52.037 0.134 0.000 0.924 74 A CB -0.273 18.826 19.000 0.165 0.000 1.061 74 A HN 0.478 nan 8.150 nan 0.000 0.516 75 S N 0.006 115.780 115.700 0.122 0.000 2.400 75 S HA -0.177 4.293 4.470 -0.001 0.000 0.232 75 S C 0.754 175.441 174.600 0.145 0.000 1.025 75 S CA 1.420 59.693 58.200 0.120 0.000 0.993 75 S CB -0.453 62.797 63.200 0.084 0.000 0.808 75 S HN 0.687 nan 8.310 nan 0.000 0.478 76 N N 0.423 119.193 118.700 0.118 0.000 2.746 76 N HA 0.405 5.145 4.740 -0.001 0.000 0.250 76 N C -1.733 173.812 175.510 0.058 0.000 1.146 76 N CA -0.434 52.677 53.050 0.102 0.000 0.828 76 N CB 1.310 39.832 38.487 0.059 0.000 1.158 76 N HN 0.050 nan 8.380 nan 0.000 0.519 77 V N 3.630 123.587 119.914 0.072 0.000 2.333 77 V HA 0.166 4.285 4.120 -0.001 0.000 0.274 77 V C 0.620 176.547 176.094 -0.279 0.000 1.028 77 V CA -0.591 61.653 62.300 -0.094 0.000 0.851 77 V CB 0.847 32.617 31.823 -0.088 0.000 1.000 77 V HN 0.736 nan 8.190 nan 0.000 0.456 78 N N 2.986 121.475 118.700 -0.352 0.000 2.282 78 N HA 0.063 4.802 4.740 -0.001 0.000 0.185 78 N C 0.326 175.271 175.510 -0.942 0.000 1.099 78 N CA -0.106 52.650 53.050 -0.491 0.000 0.878 78 N CB 0.157 38.495 38.487 -0.248 0.000 0.993 78 N HN 0.554 nan 8.380 nan 0.000 0.481 79 N N -0.111 118.072 118.700 -0.862 0.000 2.372 79 N HA 0.316 5.055 4.740 -0.001 0.000 0.291 79 N C -1.766 173.268 175.510 -0.793 0.000 1.024 79 N CA -0.816 51.756 53.050 -0.798 0.000 0.873 79 N CB 0.661 38.937 38.487 -0.353 0.000 1.206 79 N HN 0.038 nan 8.380 nan 0.000 0.486 80 F N 1.275 121.159 119.950 -0.109 0.000 2.530 80 F HA 0.474 5.001 4.527 -0.000 0.000 0.318 80 F C 0.371 176.165 175.800 -0.010 0.000 1.356 80 F CA -0.686 57.269 58.000 -0.074 0.000 1.135 80 F CB 0.156 39.109 39.000 -0.079 0.000 1.315 80 F HN 0.263 nan 8.300 nan 0.000 0.549 81 S N 1.000 116.760 115.700 0.100 0.000 2.543 81 S HA 0.858 5.328 4.470 -0.001 0.000 0.274 81 S C -1.540 173.130 174.600 0.116 0.000 1.149 81 S CA -0.427 57.834 58.200 0.101 0.000 0.866 81 S CB 1.295 64.510 63.200 0.024 0.000 1.111 81 S HN 0.444 nan 8.310 nan 0.000 0.457 82 A N 4.868 127.794 122.820 0.177 0.000 2.311 82 A HA 0.812 5.131 4.320 -0.001 0.000 0.306 82 A C -2.826 174.925 177.584 0.278 0.000 1.189 82 A CA -1.735 50.414 52.037 0.187 0.000 0.791 82 A CB 0.935 20.041 19.000 0.176 0.000 1.172 82 A HN 0.580 nan 8.150 nan 0.000 0.481 83 P HA 0.027 nan 4.420 nan 0.000 0.274 83 P C 0.271 177.718 177.300 0.245 0.000 1.231 83 P CA -0.078 63.214 63.100 0.319 0.000 0.790 83 P CB 0.762 32.576 31.700 0.190 0.000 0.951 84 Y N 3.224 123.599 120.300 0.124 0.000 2.053 84 Y HA -0.302 4.248 4.550 -0.001 0.000 0.277 84 Y C 2.058 177.956 175.900 -0.002 0.000 1.159 84 Y CA 2.775 60.855 58.100 -0.034 0.000 1.125 84 Y CB -1.103 37.325 38.460 -0.055 0.000 0.969 84 Y HN 0.412 nan 8.280 nan 0.000 0.492 85 D N -0.269 120.128 120.400 -0.006 0.000 2.322 85 D HA -0.246 4.393 4.640 -0.001 0.000 0.210 85 D C 2.018 178.242 176.300 -0.126 0.000 0.983 85 D CA 1.571 55.502 54.000 -0.114 0.000 0.902 85 D CB -0.559 40.252 40.800 0.019 0.000 0.905 85 D HN 0.489 nan 8.370 nan 0.000 0.483 86 L N -0.035 121.145 121.223 -0.071 0.000 2.262 86 L HA -0.035 4.305 4.340 -0.001 0.000 0.197 86 L C 2.723 179.549 176.870 -0.073 0.000 1.073 86 L CA 0.178 54.994 54.840 -0.040 0.000 0.800 86 L CB -0.067 42.010 42.059 0.030 0.000 0.987 86 L HN -0.116 nan 8.230 nan 0.000 0.470 87 V N 1.375 121.238 119.914 -0.084 0.000 2.287 87 V HA -0.328 3.791 4.120 -0.001 0.000 0.248 87 V C 2.473 178.458 176.094 -0.183 0.000 1.053 87 V CA 2.328 64.565 62.300 -0.106 0.000 1.027 87 V CB -0.863 30.905 31.823 -0.091 0.000 0.646 87 V HN 0.583 nan 8.190 nan 0.000 0.447 88 K N 1.339 121.532 120.400 -0.345 0.000 2.362 88 K HA -0.208 4.111 4.320 -0.001 0.000 0.202 88 K C 1.638 178.107 176.600 -0.217 0.000 1.045 88 K CA 1.942 57.998 56.287 -0.385 0.000 0.936 88 K CB -0.598 31.446 32.500 -0.760 0.000 0.747 88 K HN 0.641 nan 8.250 nan 0.000 0.467 89 T N -2.491 111.966 114.554 -0.162 0.000 3.040 89 T HA 0.201 4.551 4.350 -0.001 0.000 0.250 89 T C 0.601 175.273 174.700 -0.048 0.000 1.058 89 T CA -0.401 61.644 62.100 -0.091 0.000 0.988 89 T CB 0.106 68.928 68.868 -0.077 0.000 0.993 89 T HN 0.278 nan 8.240 nan 0.000 0.519 90 M N 2.084 121.650 119.600 -0.057 0.000 2.380 90 M HA 0.328 4.808 4.480 -0.001 0.000 0.202 90 M C 0.367 176.620 176.300 -0.078 0.000 0.975 90 M CA -0.598 54.681 55.300 -0.034 0.000 0.971 90 M CB 1.186 33.803 32.600 0.027 0.000 2.685 90 M HN 0.148 nan 8.290 nan 0.000 0.431 91 R N 1.793 122.219 120.500 -0.125 0.000 2.193 91 R HA 0.030 4.370 4.340 -0.001 0.000 0.229 91 R C 1.321 177.442 176.300 -0.298 0.000 1.110 91 R CA 1.594 57.579 56.100 -0.191 0.000 0.988 91 R CB -0.570 29.615 30.300 -0.193 0.000 0.871 91 R HN 0.624 nan 8.270 nan 0.000 0.458 92 A N 1.248 123.895 122.820 -0.289 0.000 2.131 92 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 92 A C 2.069 179.361 177.584 -0.487 0.000 1.158 92 A CA 1.574 53.327 52.037 -0.473 0.000 0.665 92 A CB -0.561 18.345 19.000 -0.156 0.000 0.795 92 A HN 0.420 nan 8.150 nan 0.000 0.460 93 S N -0.513 115.042 115.700 -0.242 0.000 2.440 93 S HA -0.189 4.281 4.470 -0.001 0.000 0.240 93 S C 1.653 176.064 174.600 -0.314 0.000 1.014 93 S CA 1.306 59.404 58.200 -0.170 0.000 0.980 93 S CB -0.459 62.749 63.200 0.014 0.000 0.775 93 S HN 0.604 nan 8.310 nan 0.000 0.499 94 I N 0.810 121.151 120.570 -0.381 0.000 2.423 94 I HA -0.112 4.058 4.170 -0.001 0.000 0.254 94 I C 1.402 177.376 176.117 -0.238 0.000 1.151 94 I CA 0.915 62.019 61.300 -0.327 0.000 1.421 94 I CB -0.383 37.328 38.000 -0.482 0.000 1.079 94 I HN 0.396 nan 8.210 nan 0.000 0.431 95 W N 0.562 121.567 121.300 -0.491 0.000 2.747 95 W HA 0.022 4.681 4.660 -0.001 0.000 0.244 95 W C 2.301 178.638 176.519 -0.303 0.000 1.270 95 W CA 0.795 57.873 57.345 -0.446 0.000 1.333 95 W CB -1.193 27.890 29.460 -0.629 0.000 1.139 95 W HN 0.312 nan 8.180 nan 0.000 0.662 96 A N -0.533 122.265 122.820 -0.036 0.000 1.975 96 A HA -0.057 4.263 4.320 -0.001 0.000 0.215 96 A C 1.949 179.672 177.584 0.231 0.000 1.170 96 A CA 0.675 52.888 52.037 0.294 0.000 0.656 96 A CB -0.613 18.617 19.000 0.383 0.000 0.821 96 A HN 0.112 nan 8.150 nan 0.000 0.449 97 L N 0.409 121.726 121.223 0.156 0.000 1.990 97 L HA -0.120 4.219 4.340 -0.001 0.000 0.213 97 L C 2.448 179.411 176.870 0.156 0.000 1.072 97 L CA 2.365 57.293 54.840 0.147 0.000 0.755 97 L CB -1.105 41.018 42.059 0.107 0.000 0.889 97 L HN 0.337 nan 8.230 nan 0.000 0.432 98 G N -0.826 108.075 108.800 0.168 0.000 2.545 98 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 98 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 98 G C -0.572 174.407 174.900 0.132 0.000 1.218 98 G CA 1.028 46.214 45.100 0.144 0.000 0.787 98 G HN 0.366 nan 8.290 nan 0.000 0.571 99 P HA -0.080 nan 4.420 nan 0.000 0.216 99 P C 2.126 179.545 177.300 0.198 0.000 1.153 99 P CA 0.850 64.049 63.100 0.165 0.000 0.858 99 P CB -0.132 31.701 31.700 0.221 0.000 0.789 100 L N -1.124 120.255 121.223 0.260 0.000 1.994 100 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 100 L C 2.488 179.489 176.870 0.219 0.000 1.071 100 L CA 1.398 56.443 54.840 0.342 0.000 0.745 100 L CB -1.233 41.002 42.059 0.293 0.000 0.892 100 L HN -0.098 nan 8.230 nan 0.000 0.431 101 V N -0.214 119.774 119.914 0.123 0.000 2.626 101 V HA -0.207 3.912 4.120 -0.001 0.000 0.252 101 V C 2.504 178.606 176.094 0.014 0.000 1.067 101 V CA 1.686 64.018 62.300 0.052 0.000 1.081 101 V CB 0.006 31.858 31.823 0.048 0.000 0.686 101 V HN 0.422 nan 8.190 nan 0.000 0.468 102 A N -0.226 122.605 122.820 0.019 0.000 1.897 102 A HA -0.131 4.189 4.320 -0.001 0.000 0.215 102 A C 2.468 179.990 177.584 -0.104 0.000 1.181 102 A CA 1.686 53.706 52.037 -0.028 0.000 0.620 102 A CB -0.543 18.451 19.000 -0.010 0.000 0.821 102 A HN 0.480 nan 8.150 nan 0.000 0.443 103 R N -1.930 118.470 120.500 -0.166 0.000 2.112 103 R HA 0.100 4.440 4.340 -0.001 0.000 0.216 103 R C 0.611 176.507 176.300 -0.673 0.000 1.080 103 R CA 0.959 56.784 56.100 -0.458 0.000 0.996 103 R CB -0.025 29.870 30.300 -0.675 0.000 0.902 103 R HN 0.542 nan 8.270 nan 0.000 0.449 104 F N -1.005 118.862 119.950 -0.137 0.000 2.682 104 F HA 0.334 4.861 4.527 -0.001 0.000 0.308 104 F C 1.325 176.951 175.800 -0.291 0.000 1.093 104 F CA 0.385 58.218 58.000 -0.278 0.000 1.244 104 F CB 0.982 39.614 39.000 -0.613 0.000 1.052 104 F HN 0.187 nan 8.300 nan 0.000 0.573 105 G N 1.189 109.950 108.800 -0.066 0.000 2.168 105 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.263 105 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.263 105 G C 0.063 174.925 174.900 -0.064 0.000 0.977 105 G CA 0.635 45.699 45.100 -0.060 0.000 0.659 105 G HN 0.549 nan 8.290 nan 0.000 0.533 106 Q N -1.896 117.847 119.800 -0.094 0.000 2.578 106 Q HA 0.643 4.983 4.340 -0.001 0.000 0.284 106 Q C -0.517 175.470 176.000 -0.023 0.000 0.960 106 Q CA -0.472 55.288 55.803 -0.071 0.000 0.809 106 Q CB 1.610 30.285 28.738 -0.106 0.000 1.462 106 Q HN 1.708 nan 8.270 nan 0.000 0.392 107 G N 1.364 110.202 108.800 0.064 0.000 2.473 107 G HA2 0.429 4.389 3.960 -0.001 0.000 0.298 107 G HA3 0.429 4.389 3.960 -0.001 0.000 0.298 107 G C -2.186 172.793 174.900 0.133 0.000 1.575 107 G CA -0.648 44.535 45.100 0.138 0.000 0.846 107 G HN 0.708 nan 8.290 nan 0.000 0.585 108 Q N 0.302 120.196 119.800 0.157 0.000 2.268 108 Q HA 0.682 5.022 4.340 -0.001 0.000 0.266 108 Q C -1.581 174.545 176.000 0.212 0.000 1.006 108 Q CA -1.009 54.893 55.803 0.164 0.000 0.824 108 Q CB 2.697 31.513 28.738 0.130 0.000 1.306 108 Q HN 0.490 nan 8.270 nan 0.000 0.424 109 V N 1.139 121.177 119.914 0.207 0.000 2.680 109 V HA 0.387 4.507 4.120 -0.001 0.000 0.309 109 V C 0.005 176.186 176.094 0.146 0.000 1.052 109 V CA -0.774 61.632 62.300 0.177 0.000 0.908 109 V CB 1.970 33.839 31.823 0.075 0.000 1.001 109 V HN 0.894 nan 8.190 nan 0.000 0.431 110 S N 3.676 119.404 115.700 0.048 0.000 2.516 110 S HA 0.263 4.732 4.470 -0.001 0.000 0.282 110 S C -0.149 174.368 174.600 -0.138 0.000 1.286 110 S CA -0.375 57.664 58.200 -0.268 0.000 1.066 110 S CB -0.017 63.020 63.200 -0.272 0.000 0.884 110 S HN 0.639 nan 8.310 nan 0.000 0.491 111 L N 8.139 129.276 121.223 -0.144 0.000 2.500 111 L HA 0.255 4.594 4.340 -0.001 0.000 0.272 111 L C -1.784 175.037 176.870 -0.082 0.000 1.149 111 L CA -1.501 53.283 54.840 -0.093 0.000 0.897 111 L CB 0.532 42.550 42.059 -0.070 0.000 1.178 111 L HN 0.538 nan 8.230 nan 0.000 0.473 112 P HA 0.078 nan 4.420 nan 0.000 0.266 112 P C -0.079 177.189 177.300 -0.053 0.000 1.195 112 P CA -0.157 62.891 63.100 -0.087 0.000 0.768 112 P CB 0.809 32.428 31.700 -0.136 0.000 0.838 113 G N 1.593 110.379 108.800 -0.023 0.000 2.574 113 G HA2 0.497 4.457 3.960 -0.001 0.000 0.248 113 G HA3 0.497 4.457 3.960 -0.001 0.000 0.248 113 G C 0.187 175.073 174.900 -0.022 0.000 1.422 113 G CA -0.469 44.628 45.100 -0.005 0.000 1.051 113 G HN 0.610 nan 8.290 nan 0.000 0.560 114 G N -0.954 107.839 108.800 -0.011 0.000 2.554 114 G HA2 0.390 4.350 3.960 -0.001 0.000 0.238 114 G HA3 0.390 4.350 3.960 -0.001 0.000 0.238 114 G C 0.109 174.990 174.900 -0.032 0.000 1.259 114 G CA 0.701 45.790 45.100 -0.018 0.000 0.843 114 G HN 0.736 nan 8.290 nan 0.000 0.582 115 S N -0.339 115.333 115.700 -0.046 0.000 2.607 115 S HA 0.582 5.052 4.470 -0.001 0.000 0.303 115 S C 1.443 175.999 174.600 -0.072 0.000 1.086 115 S CA 0.206 58.363 58.200 -0.072 0.000 0.995 115 S CB 1.592 64.722 63.200 -0.117 0.000 1.084 115 S HN 1.160 nan 8.310 nan 0.000 0.507 116 A N 2.467 125.239 122.820 -0.080 0.000 1.933 116 A HA -0.012 4.307 4.320 -0.001 0.000 0.218 116 A C 1.768 179.289 177.584 -0.105 0.000 1.175 116 A CA 1.820 53.811 52.037 -0.077 0.000 0.628 116 A CB -0.976 17.973 19.000 -0.086 0.000 0.814 116 A HN 1.037 nan 8.150 nan 0.000 0.444 117 I N -4.609 115.854 120.570 -0.178 0.000 3.875 117 I HA 0.541 4.711 4.170 -0.001 0.000 0.329 117 I C 0.652 176.684 176.117 -0.140 0.000 1.295 117 I CA 0.303 61.480 61.300 -0.205 0.000 1.129 117 I CB -0.189 37.578 38.000 -0.388 0.000 1.008 117 I HN 0.275 nan 8.210 nan 0.000 0.413 118 G N 0.078 108.827 108.800 -0.086 0.000 2.328 118 G HA2 0.373 4.332 3.960 -0.001 0.000 0.299 118 G HA3 0.373 4.332 3.960 -0.001 0.000 0.299 118 G C 0.090 174.998 174.900 0.012 0.000 1.435 118 G CA -0.301 44.808 45.100 0.014 0.000 0.865 118 G HN 0.042 nan 8.290 nan 0.000 0.601 119 A N -0.013 122.827 122.820 0.033 0.000 1.933 119 A HA 0.190 4.509 4.320 -0.001 0.000 0.218 119 A C 1.589 179.186 177.584 0.022 0.000 1.175 119 A CA 1.877 53.925 52.037 0.018 0.000 0.628 119 A CB -0.589 18.421 19.000 0.017 0.000 0.814 119 A HN 1.513 nan 8.150 nan 0.000 0.444 120 R N -0.970 119.571 120.500 0.068 0.000 3.022 120 R HA -0.129 4.210 4.340 -0.001 0.000 0.248 120 R C -2.326 173.988 176.300 0.023 0.000 0.874 120 R CA 0.393 56.542 56.100 0.082 0.000 0.626 120 R CB -1.878 28.468 30.300 0.077 0.000 1.255 120 R HN 0.556 nan 8.270 nan 0.000 0.496 121 P HA 0.051 nan 4.420 nan 0.000 0.273 121 P C 0.547 177.854 177.300 0.011 0.000 1.250 121 P CA -0.090 63.012 63.100 0.004 0.000 0.793 121 P CB 0.819 32.526 31.700 0.011 0.000 1.011 122 V N -3.020 116.889 119.914 -0.008 0.000 2.988 122 V HA 0.102 4.221 4.120 -0.001 0.000 0.356 122 V C 1.409 177.583 176.094 0.132 0.000 1.380 122 V CA 0.064 62.369 62.300 0.008 0.000 1.184 122 V CB -0.589 31.061 31.823 -0.289 0.000 1.204 122 V HN 0.515 nan 8.190 nan 0.000 0.530 123 D N 1.473 121.934 120.400 0.102 0.000 2.190 123 D HA -0.259 4.381 4.640 -0.001 0.000 0.200 123 D C 1.692 178.092 176.300 0.166 0.000 0.992 123 D CA 1.603 55.665 54.000 0.105 0.000 0.854 123 D CB -0.020 40.808 40.800 0.046 0.000 0.936 123 D HN 0.551 nan 8.370 nan 0.000 0.462 124 L N -0.173 121.155 121.223 0.174 0.000 2.217 124 L HA -0.070 4.270 4.340 -0.001 0.000 0.211 124 L C 2.739 179.735 176.870 0.211 0.000 1.107 124 L CA 0.704 55.646 54.840 0.170 0.000 0.783 124 L CB -0.569 41.529 42.059 0.066 0.000 0.919 124 L HN 0.111 nan 8.230 nan 0.000 0.442 125 H N 0.016 119.154 119.070 0.114 0.000 2.326 125 H HA -0.091 4.465 4.556 -0.000 0.000 0.301 125 H C 2.453 177.844 175.328 0.106 0.000 1.081 125 H CA 1.566 57.678 56.048 0.106 0.000 1.334 125 H CB 0.155 29.957 29.762 0.067 0.000 1.385 125 H HN 0.301 nan 8.280 nan 0.000 0.504 126 I N 0.475 121.197 120.570 0.254 0.000 2.163 126 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 126 I C 2.544 178.762 176.117 0.168 0.000 1.085 126 I CA 1.179 62.581 61.300 0.169 0.000 1.347 126 I CB -0.356 37.727 38.000 0.139 0.000 1.044 126 I HN 0.074 nan 8.210 nan 0.000 0.408 127 F N 1.893 121.879 119.950 0.060 0.000 2.046 127 F HA -0.186 4.341 4.527 -0.001 0.000 0.297 127 F C 2.379 178.200 175.800 0.035 0.000 1.123 127 F CA 1.887 59.910 58.000 0.038 0.000 1.199 127 F CB -1.057 37.960 39.000 0.029 0.000 0.972 127 F HN 0.010 nan 8.300 nan 0.000 0.474 128 G N 0.769 109.597 108.800 0.046 0.000 2.469 128 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 128 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 128 G C 1.807 176.645 174.900 -0.103 0.000 1.150 128 G CA 1.257 46.308 45.100 -0.081 0.000 0.763 128 G HN 0.465 nan 8.290 nan 0.000 0.561 129 L N -0.139 121.072 121.223 -0.020 0.000 2.093 129 L HA -0.016 4.324 4.340 -0.001 0.000 0.208 129 L C 2.844 179.681 176.870 -0.054 0.000 1.085 129 L CA 1.042 55.876 54.840 -0.011 0.000 0.755 129 L CB -0.358 41.728 42.059 0.045 0.000 0.904 129 L HN 0.300 nan 8.230 nan 0.000 0.435 130 E N -0.154 119.994 120.200 -0.085 0.000 2.150 130 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 130 E C 2.033 178.533 176.600 -0.167 0.000 0.985 130 E CA 0.611 56.951 56.400 -0.100 0.000 0.814 130 E CB 0.168 29.821 29.700 -0.078 0.000 0.752 130 E HN 0.266 nan 8.360 nan 0.000 0.466 131 K N 0.406 120.632 120.400 -0.289 0.000 2.288 131 K HA -0.036 4.283 4.320 -0.001 0.000 0.201 131 K C 1.761 178.271 176.600 -0.149 0.000 1.048 131 K CA 0.579 56.695 56.287 -0.284 0.000 0.956 131 K CB 0.089 32.328 32.500 -0.435 0.000 0.746 131 K HN 0.232 nan 8.250 nan 0.000 0.461 132 L N -0.307 120.848 121.223 -0.114 0.000 2.591 132 L HA 0.060 4.399 4.340 -0.001 0.000 0.228 132 L C 1.152 177.991 176.870 -0.052 0.000 1.133 132 L CA 0.454 55.254 54.840 -0.067 0.000 0.880 132 L CB -0.031 41.999 42.059 -0.048 0.000 1.033 132 L HN 0.368 nan 8.230 nan 0.000 0.450 133 G N -0.391 108.375 108.800 -0.057 0.000 2.218 133 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 133 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 133 G C 0.431 175.315 174.900 -0.028 0.000 0.994 133 G CA -0.137 44.939 45.100 -0.039 0.000 0.637 133 G HN 0.429 nan 8.290 nan 0.000 0.505 134 A N 0.378 123.183 122.820 -0.025 0.000 2.425 134 A HA 0.586 4.906 4.320 -0.001 0.000 0.249 134 A C 0.378 177.960 177.584 -0.004 0.000 1.084 134 A CA 0.815 52.847 52.037 -0.009 0.000 0.781 134 A CB 0.425 19.427 19.000 0.003 0.000 1.019 134 A HN 0.640 nan 8.150 nan 0.000 0.490 135 E N 1.903 122.105 120.200 0.005 0.000 2.197 135 E HA 0.472 4.821 4.350 -0.001 0.000 0.281 135 E C -1.084 175.530 176.600 0.023 0.000 0.995 135 E CA -0.540 55.866 56.400 0.011 0.000 0.808 135 E CB 0.575 30.281 29.700 0.010 0.000 1.093 135 E HN 0.499 nan 8.360 nan 0.000 0.394 136 I N 4.187 124.775 120.570 0.029 0.000 2.465 136 I HA 0.369 4.538 4.170 -0.001 0.000 0.291 136 I C -0.285 175.857 176.117 0.041 0.000 1.014 136 I CA -0.704 60.620 61.300 0.041 0.000 1.093 136 I CB 1.462 39.492 38.000 0.049 0.000 1.267 136 I HN 0.537 nan 8.210 nan 0.000 0.431 137 K N 5.087 125.514 120.400 0.046 0.000 2.375 137 K HA 0.650 4.970 4.320 -0.001 0.000 0.249 137 K C -1.353 175.280 176.600 0.055 0.000 0.942 137 K CA -0.923 55.391 56.287 0.045 0.000 0.806 137 K CB 3.222 35.746 32.500 0.041 0.000 1.227 137 K HN 0.314 nan 8.250 nan 0.000 0.430 138 L N 2.564 123.817 121.223 0.050 0.000 2.316 138 L HA 0.315 4.655 4.340 -0.001 0.000 0.280 138 L C -1.304 175.602 176.870 0.059 0.000 1.006 138 L CA 0.136 55.010 54.840 0.056 0.000 0.836 138 L CB 0.911 42.993 42.059 0.037 0.000 1.221 138 L HN 0.671 nan 8.230 nan 0.000 0.418 139 E N 3.383 123.636 120.200 0.088 0.000 2.263 139 E HA 0.403 4.752 4.350 -0.001 0.000 0.268 139 E C -0.863 175.818 176.600 0.136 0.000 0.884 139 E CA -0.711 55.739 56.400 0.084 0.000 0.766 139 E CB 1.224 30.962 29.700 0.064 0.000 1.196 139 E HN 0.613 nan 8.360 nan 0.000 0.416 140 E N 1.476 121.734 120.200 0.096 0.000 2.513 140 E HA -0.281 4.069 4.350 -0.001 0.000 0.257 140 E C 0.668 177.330 176.600 0.104 0.000 1.098 140 E CA 0.575 57.044 56.400 0.114 0.000 0.752 140 E CB -1.659 28.140 29.700 0.165 0.000 1.324 140 E HN 1.194 nan 8.360 nan 0.000 0.403 141 G N -1.050 107.752 108.800 0.004 0.000 2.184 141 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.264 141 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.264 141 G C -0.206 174.557 174.900 -0.228 0.000 0.975 141 G CA 0.696 45.715 45.100 -0.135 0.000 0.642 141 G HN 0.343 nan 8.290 nan 0.000 0.536 142 Y N -0.796 119.511 120.300 0.012 0.000 2.341 142 Y HA 0.538 5.088 4.550 -0.001 0.000 0.337 142 Y C 0.492 176.407 175.900 0.024 0.000 1.014 142 Y CA -0.643 57.473 58.100 0.027 0.000 1.111 142 Y CB 2.177 40.656 38.460 0.032 0.000 1.194 142 Y HN 0.231 nan 8.280 nan 0.000 0.462 143 V N 5.767 125.772 119.914 0.152 0.000 2.368 143 V HA 0.345 4.465 4.120 -0.001 0.000 0.266 143 V C -0.765 175.403 176.094 0.124 0.000 1.045 143 V CA -0.598 61.764 62.300 0.104 0.000 0.899 143 V CB -0.029 31.828 31.823 0.056 0.000 1.006 143 V HN 0.697 nan 8.190 nan 0.000 0.470 144 K N 6.598 127.062 120.400 0.106 0.000 2.263 144 K HA 0.740 5.060 4.320 -0.001 0.000 0.272 144 K C -0.262 176.379 176.600 0.068 0.000 1.033 144 K CA -0.204 56.138 56.287 0.090 0.000 0.884 144 K CB 1.864 34.410 32.500 0.076 0.000 1.107 144 K HN 0.798 nan 8.250 nan 0.000 0.460 145 A N 2.078 124.938 122.820 0.068 0.000 2.324 145 A HA 0.698 5.018 4.320 -0.001 0.000 0.330 145 A C -0.449 177.157 177.584 0.037 0.000 1.165 145 A CA -0.569 51.499 52.037 0.052 0.000 0.813 145 A CB 0.934 19.970 19.000 0.060 0.000 1.197 145 A HN 0.706 nan 8.150 nan 0.000 0.484 146 S N -0.034 115.680 115.700 0.023 0.000 2.550 146 S HA 0.721 5.190 4.470 -0.001 0.000 0.270 146 S C -1.335 173.266 174.600 0.001 0.000 1.145 146 S CA -0.550 57.655 58.200 0.009 0.000 0.852 146 S CB 1.321 64.527 63.200 0.010 0.000 1.119 146 S HN 2.058 nan 8.310 nan 0.000 0.465 147 V N 1.596 121.504 119.914 -0.009 0.000 2.752 147 V HA 0.586 4.706 4.120 -0.001 0.000 0.302 147 V C -1.493 174.590 176.094 -0.018 0.000 1.133 147 V CA -0.628 61.663 62.300 -0.013 0.000 0.919 147 V CB 1.924 33.736 31.823 -0.018 0.000 1.026 147 V HN 1.119 nan 8.190 nan 0.000 0.429 148 N N 5.287 123.978 118.700 -0.015 0.000 2.415 148 N HA 0.633 5.372 4.740 -0.001 0.000 0.250 148 N C 0.238 175.737 175.510 -0.019 0.000 1.127 148 N CA 1.441 54.482 53.050 -0.015 0.000 0.945 148 N CB 0.763 39.244 38.487 -0.009 0.000 1.196 148 N HN 1.470 nan 8.380 nan 0.000 0.499 149 G N 2.373 111.158 108.800 -0.026 0.000 2.451 149 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.208 149 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.208 149 G C -0.923 173.953 174.900 -0.039 0.000 1.248 149 G CA -0.862 44.220 45.100 -0.030 0.000 0.989 149 G HN 0.596 nan 8.290 nan 0.000 0.559 150 R N -0.388 120.088 120.500 -0.040 0.000 2.528 150 R HA 0.623 4.963 4.340 -0.001 0.000 0.271 150 R C 0.509 176.786 176.300 -0.038 0.000 1.056 150 R CA -0.653 55.419 56.100 -0.045 0.000 1.117 150 R CB 0.728 31.000 30.300 -0.046 0.000 1.085 150 R HN 0.473 nan 8.270 nan 0.000 0.530 151 L N 1.497 122.697 121.223 -0.039 0.000 2.466 151 L HA 0.254 4.593 4.340 -0.001 0.000 0.257 151 L C 0.416 177.266 176.870 -0.034 0.000 1.189 151 L CA 0.036 54.856 54.840 -0.034 0.000 0.813 151 L CB 0.303 42.343 42.059 -0.032 0.000 1.118 151 L HN 0.340 nan 8.230 nan 0.000 0.471 152 K N 0.466 120.847 120.400 -0.033 0.000 2.345 152 K HA 0.383 4.703 4.320 -0.001 0.000 0.255 152 K C -0.165 176.416 176.600 -0.032 0.000 0.934 152 K CA -0.683 55.585 56.287 -0.031 0.000 0.801 152 K CB 1.846 34.330 32.500 -0.028 0.000 1.137 152 K HN 0.725 nan 8.250 nan 0.000 0.424 153 G N 1.251 110.033 108.800 -0.030 0.000 2.562 153 G HA2 0.347 4.307 3.960 -0.001 0.000 0.233 153 G HA3 0.347 4.307 3.960 -0.001 0.000 0.233 153 G C -0.557 174.329 174.900 -0.022 0.000 1.266 153 G CA -0.045 45.037 45.100 -0.029 0.000 0.852 153 G HN 0.637 nan 8.290 nan 0.000 0.581 154 A N 1.021 123.832 122.820 -0.015 0.000 2.609 154 A HA 0.654 4.974 4.320 -0.001 0.000 0.291 154 A C -0.995 176.625 177.584 0.060 0.000 1.096 154 A CA -0.706 51.337 52.037 0.011 0.000 0.684 154 A CB 1.032 20.020 19.000 -0.019 0.000 1.282 154 A HN 0.979 nan 8.150 nan 0.000 0.412 155 H N 0.655 119.712 119.070 -0.022 0.000 2.594 155 H HA 0.653 5.208 4.556 -0.001 0.000 0.304 155 H C -0.978 174.352 175.328 0.003 0.000 1.068 155 H CA -0.466 55.578 56.048 -0.006 0.000 1.308 155 H CB 0.319 30.082 29.762 0.000 0.000 1.409 155 H HN 0.485 nan 8.280 nan 0.000 0.460 156 I N 6.077 126.799 120.570 0.253 0.000 2.406 156 I HA 0.201 4.370 4.170 -0.001 0.000 0.290 156 I C -0.688 175.529 176.117 0.166 0.000 0.999 156 I CA -1.039 60.352 61.300 0.151 0.000 1.124 156 I CB 1.974 40.030 38.000 0.094 0.000 1.289 156 I HN 0.297 nan 8.210 nan 0.000 0.441 157 V N 6.464 126.461 119.914 0.137 0.000 2.347 157 V HA 0.368 4.487 4.120 -0.001 0.000 0.280 157 V C 0.318 176.477 176.094 0.109 0.000 1.021 157 V CA -0.598 61.754 62.300 0.086 0.000 0.847 157 V CB 1.472 33.297 31.823 0.004 0.000 0.990 157 V HN 0.604 nan 8.190 nan 0.000 0.444 158 M N 4.220 123.865 119.600 0.075 0.000 2.146 158 M HA 0.258 4.737 4.480 -0.001 0.000 0.352 158 M C 0.289 176.575 176.300 -0.024 0.000 1.343 158 M CA -0.318 55.004 55.300 0.037 0.000 1.115 158 M CB 0.624 33.247 32.600 0.038 0.000 1.657 158 M HN 0.736 nan 8.290 nan 0.000 0.471 159 D N 1.730 122.079 120.400 -0.084 0.000 2.519 159 D HA 0.212 4.852 4.640 -0.001 0.000 0.238 159 D C -0.116 176.140 176.300 -0.072 0.000 1.192 159 D CA -0.011 53.937 54.000 -0.087 0.000 0.835 159 D CB 0.110 40.834 40.800 -0.127 0.000 0.975 159 D HN 0.489 nan 8.370 nan 0.000 0.490 160 K N -0.270 120.098 120.400 -0.054 0.000 2.609 160 K HA 0.172 4.491 4.320 -0.001 0.000 0.261 160 K C -1.662 174.918 176.600 -0.035 0.000 0.945 160 K CA -0.641 55.617 56.287 -0.049 0.000 0.898 160 K CB 1.832 34.297 32.500 -0.058 0.000 1.349 160 K HN -0.134 nan 8.250 nan 0.000 0.420 161 V N 2.895 122.789 119.914 -0.034 0.000 2.421 161 V HA 0.175 4.294 4.120 -0.001 0.000 0.271 161 V C 0.049 176.128 176.094 -0.026 0.000 1.031 161 V CA 0.153 62.440 62.300 -0.022 0.000 1.032 161 V CB 0.842 32.654 31.823 -0.019 0.000 1.009 161 V HN 0.623 nan 8.190 nan 0.000 0.477 162 S N 4.327 120.020 115.700 -0.011 0.000 2.605 162 S HA 0.419 4.889 4.470 -0.001 0.000 0.308 162 S C 0.607 175.224 174.600 0.029 0.000 1.113 162 S CA -0.652 57.548 58.200 -0.001 0.000 1.049 162 S CB 1.877 65.069 63.200 -0.014 0.000 1.001 162 S HN 0.324 nan 8.310 nan 0.000 0.480 163 V N 5.482 125.438 119.914 0.071 0.000 2.261 163 V HA -0.020 4.100 4.120 -0.001 0.000 0.246 163 V C 2.661 178.887 176.094 0.219 0.000 1.047 163 V CA 2.579 64.954 62.300 0.126 0.000 1.015 163 V CB -1.233 30.686 31.823 0.161 0.000 0.642 163 V HN 0.958 nan 8.190 nan 0.000 0.446 164 G N -0.551 108.420 108.800 0.285 0.000 2.421 164 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.216 164 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.216 164 G C 1.756 176.724 174.900 0.113 0.000 1.171 164 G CA 1.072 46.455 45.100 0.472 0.000 0.775 164 G HN 0.616 nan 8.290 nan 0.000 0.543 165 A N 0.113 122.709 122.820 -0.374 0.000 1.930 165 A HA 0.021 4.341 4.320 -0.001 0.000 0.217 165 A C 2.517 179.997 177.584 -0.174 0.000 1.175 165 A CA 2.362 54.020 52.037 -0.632 0.000 0.627 165 A CB -0.834 17.943 19.000 -0.373 0.000 0.815 165 A HN 0.297 nan 8.150 nan 0.000 0.443 166 T N -0.334 114.191 114.554 -0.048 0.000 2.746 166 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 166 T C 1.890 176.590 174.700 -0.001 0.000 1.039 166 T CA 1.572 63.668 62.100 -0.006 0.000 1.142 166 T CB -0.409 68.465 68.868 0.010 0.000 0.866 166 T HN 0.156 nan 8.240 nan 0.000 0.444 167 V N 1.420 121.350 119.914 0.028 0.000 2.261 167 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 167 V C 2.809 178.887 176.094 -0.027 0.000 1.047 167 V CA 2.087 64.344 62.300 -0.071 0.000 1.015 167 V CB -1.155 30.496 31.823 -0.286 0.000 0.642 167 V HN 0.511 nan 8.190 nan 0.000 0.446 168 T N 0.320 114.956 114.554 0.136 0.000 2.652 168 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 168 T C 1.773 176.522 174.700 0.082 0.000 1.039 168 T CA 2.108 64.322 62.100 0.190 0.000 1.153 168 T CB -0.302 68.755 68.868 0.316 0.000 0.863 168 T HN 0.353 nan 8.240 nan 0.000 0.428 169 I N 0.679 121.271 120.570 0.037 0.000 2.202 169 I HA -0.149 4.021 4.170 -0.001 0.000 0.242 169 I C 2.602 178.721 176.117 0.003 0.000 1.091 169 I CA 1.286 62.596 61.300 0.018 0.000 1.368 169 I CB -0.426 37.580 38.000 0.010 0.000 1.058 169 I HN 0.261 nan 8.210 nan 0.000 0.410 170 M N 0.375 119.970 119.600 -0.008 0.000 2.213 170 M HA -0.200 4.279 4.480 -0.001 0.000 0.263 170 M C 2.271 178.555 176.300 -0.026 0.000 1.062 170 M CA 1.773 57.059 55.300 -0.022 0.000 1.105 170 M CB 0.005 32.585 32.600 -0.033 0.000 1.385 170 M HN 0.129 nan 8.290 nan 0.000 0.417 171 S N 0.610 116.298 115.700 -0.020 0.000 2.357 171 S HA 0.040 4.509 4.470 -0.001 0.000 0.221 171 S C 2.008 176.611 174.600 0.004 0.000 1.031 171 S CA 1.129 59.324 58.200 -0.009 0.000 0.982 171 S CB -0.399 62.799 63.200 -0.003 0.000 0.853 171 S HN 0.684 nan 8.310 nan 0.000 0.458 172 A N 1.445 124.276 122.820 0.019 0.000 1.969 172 A HA 0.208 4.528 4.320 -0.001 0.000 0.218 172 A C 2.242 179.820 177.584 -0.010 0.000 1.169 172 A CA 1.483 53.529 52.037 0.015 0.000 0.635 172 A CB -0.838 18.181 19.000 0.030 0.000 0.810 172 A HN 0.491 nan 8.150 nan 0.000 0.445 173 A N -0.057 122.754 122.820 -0.015 0.000 2.067 173 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 173 A C 2.318 179.881 177.584 -0.036 0.000 1.158 173 A CA 2.115 54.136 52.037 -0.027 0.000 0.661 173 A CB -1.305 17.679 19.000 -0.026 0.000 0.801 173 A HN 0.771 nan 8.150 nan 0.000 0.452 174 T N -1.929 112.601 114.554 -0.039 0.000 2.849 174 T HA -0.047 4.303 4.350 -0.001 0.000 0.270 174 T C 1.317 175.984 174.700 -0.055 0.000 1.066 174 T CA 1.515 63.585 62.100 -0.051 0.000 1.130 174 T CB -0.346 68.486 68.868 -0.059 0.000 0.864 174 T HN 0.332 nan 8.240 nan 0.000 0.481 175 L N 0.317 121.508 121.223 -0.053 0.000 2.808 175 L HA 0.534 4.874 4.340 -0.001 0.000 0.246 175 L C 1.344 178.181 176.870 -0.056 0.000 1.153 175 L CA -0.534 54.268 54.840 -0.063 0.000 0.956 175 L CB -0.201 41.811 42.059 -0.078 0.000 1.270 175 L HN 0.284 nan 8.230 nan 0.000 0.528 176 A N 0.611 123.403 122.820 -0.047 0.000 2.332 176 A HA 0.153 4.473 4.320 -0.001 0.000 0.258 176 A C 0.248 177.808 177.584 -0.041 0.000 1.087 176 A CA -0.193 51.819 52.037 -0.042 0.000 0.802 176 A CB 0.296 19.274 19.000 -0.037 0.000 1.042 176 A HN 0.289 nan 8.150 nan 0.000 0.489 177 E N 0.599 120.776 120.200 -0.038 0.000 2.052 177 E HA 0.455 4.804 4.350 -0.001 0.000 0.283 177 E C 0.559 177.140 176.600 -0.032 0.000 1.071 177 E CA 0.650 57.030 56.400 -0.035 0.000 0.851 177 E CB -0.169 29.512 29.700 -0.032 0.000 1.066 177 E HN 1.405 nan 8.360 nan 0.000 0.396 178 G N 2.897 111.678 108.800 -0.033 0.000 2.396 178 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.254 178 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.254 178 G C -0.540 174.338 174.900 -0.036 0.000 1.248 178 G CA -0.470 44.611 45.100 -0.032 0.000 1.033 178 G HN 0.491 nan 8.290 nan 0.000 0.502 179 T N 0.958 115.489 114.554 -0.038 0.000 2.867 179 T HA 0.716 5.066 4.350 -0.001 0.000 0.282 179 T C -0.068 174.601 174.700 -0.050 0.000 1.000 179 T CA 0.293 62.365 62.100 -0.048 0.000 1.042 179 T CB 1.560 70.395 68.868 -0.055 0.000 0.973 179 T HN 0.740 nan 8.240 nan 0.000 0.465 180 T N 3.087 117.608 114.554 -0.054 0.000 2.863 180 T HA 0.658 5.008 4.350 -0.001 0.000 0.285 180 T C -0.574 174.084 174.700 -0.069 0.000 1.009 180 T CA -0.513 61.558 62.100 -0.048 0.000 0.989 180 T CB 0.751 69.599 68.868 -0.033 0.000 1.004 180 T HN 0.405 nan 8.240 nan 0.000 0.455 181 I N 3.171 123.696 120.570 -0.075 0.000 2.466 181 I HA 0.459 4.628 4.170 -0.001 0.000 0.289 181 I C -0.715 175.419 176.117 0.029 0.000 1.026 181 I CA -0.807 60.431 61.300 -0.104 0.000 1.078 181 I CB 1.998 39.766 38.000 -0.386 0.000 1.249 181 I HN 0.479 nan 8.210 nan 0.000 0.429 182 I N 5.743 126.332 120.570 0.031 0.000 2.347 182 I HA 0.237 4.406 4.170 -0.001 0.000 0.283 182 I C 0.127 176.293 176.117 0.081 0.000 1.058 182 I CA -0.457 60.883 61.300 0.067 0.000 1.202 182 I CB 0.656 38.677 38.000 0.034 0.000 1.386 182 I HN 0.465 nan 8.210 nan 0.000 0.475 183 E N 5.130 125.409 120.200 0.132 0.000 2.259 183 E HA 0.093 4.443 4.350 -0.001 0.000 0.281 183 E C 0.102 176.743 176.600 0.068 0.000 1.027 183 E CA -0.159 56.309 56.400 0.114 0.000 0.838 183 E CB 1.043 30.832 29.700 0.150 0.000 1.066 183 E HN 0.541 nan 8.360 nan 0.000 0.401 184 N N 1.116 119.844 118.700 0.047 0.000 2.814 184 N HA -0.195 4.545 4.740 -0.001 0.000 0.247 184 N C -1.324 174.202 175.510 0.026 0.000 1.089 184 N CA 0.781 53.848 53.050 0.028 0.000 0.682 184 N CB -0.995 37.503 38.487 0.018 0.000 0.970 184 N HN 0.537 nan 8.380 nan 0.000 0.554 185 A N 0.034 122.871 122.820 0.028 0.000 2.332 185 A HA 0.763 5.082 4.320 -0.001 0.000 0.258 185 A C 0.893 178.490 177.584 0.022 0.000 1.087 185 A CA 0.108 52.159 52.037 0.024 0.000 0.802 185 A CB 0.460 19.473 19.000 0.021 0.000 1.042 185 A HN 0.914 nan 8.150 nan 0.000 0.489 186 A N 0.704 123.537 122.820 0.022 0.000 2.425 186 A HA 0.494 4.814 4.320 -0.001 0.000 0.249 186 A C 0.627 178.233 177.584 0.035 0.000 1.084 186 A CA -0.235 51.819 52.037 0.029 0.000 0.781 186 A CB 0.017 19.037 19.000 0.033 0.000 1.019 186 A HN 0.752 nan 8.150 nan 0.000 0.490 187 R N 0.652 121.188 120.500 0.059 0.000 2.507 187 R HA 0.202 4.542 4.340 -0.001 0.000 0.298 187 R C -0.488 175.865 176.300 0.090 0.000 0.999 187 R CA -0.139 56.009 56.100 0.079 0.000 1.082 187 R CB 0.127 30.489 30.300 0.104 0.000 1.246 187 R HN 0.762 nan 8.270 nan 0.000 0.553 188 E N 1.071 121.286 120.200 0.024 0.000 2.442 188 E HA -0.019 4.331 4.350 -0.001 0.000 0.262 188 E C -1.567 174.913 176.600 -0.199 0.000 1.004 188 E CA -1.282 55.035 56.400 -0.139 0.000 0.928 188 E CB 0.458 30.115 29.700 -0.071 0.000 0.937 188 E HN -0.082 nan 8.360 nan 0.000 0.446 189 P HA -0.191 nan 4.420 nan 0.000 0.217 189 P C 0.209 177.444 177.300 -0.108 0.000 1.148 189 P CA 1.279 64.249 63.100 -0.215 0.000 0.834 189 P CB 0.274 31.822 31.700 -0.254 0.000 0.783 190 E N -1.402 118.736 120.200 -0.102 0.000 2.274 190 E HA -0.082 4.268 4.350 -0.001 0.000 0.194 190 E C 1.819 178.376 176.600 -0.071 0.000 0.996 190 E CA 0.601 56.960 56.400 -0.067 0.000 0.840 190 E CB -0.652 29.019 29.700 -0.049 0.000 0.772 190 E HN 0.218 nan 8.360 nan 0.000 0.491 191 I N -0.027 120.507 120.570 -0.061 0.000 2.286 191 I HA -0.149 4.020 4.170 -0.001 0.000 0.245 191 I C 2.028 178.117 176.117 -0.047 0.000 1.104 191 I CA 0.750 62.018 61.300 -0.054 0.000 1.397 191 I CB -0.852 37.131 38.000 -0.028 0.000 1.072 191 I HN 0.015 nan 8.210 nan 0.000 0.417 192 V N 1.031 120.925 119.914 -0.034 0.000 2.295 192 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 192 V C 2.273 178.367 176.094 0.000 0.000 1.049 192 V CA 2.108 64.401 62.300 -0.012 0.000 1.024 192 V CB -0.657 31.164 31.823 -0.002 0.000 0.648 192 V HN 0.290 nan 8.190 nan 0.000 0.447 193 D N -0.203 120.202 120.400 0.007 0.000 2.117 193 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 193 D C 2.280 178.534 176.300 -0.077 0.000 0.987 193 D CA 1.762 55.795 54.000 0.055 0.000 0.829 193 D CB -0.145 40.702 40.800 0.079 0.000 0.961 193 D HN 0.396 nan 8.370 nan 0.000 0.460 194 T N -0.372 114.121 114.554 -0.101 0.000 2.821 194 T HA -0.054 4.295 4.350 -0.001 0.000 0.267 194 T C 1.884 176.536 174.700 -0.079 0.000 1.046 194 T CA 1.199 63.226 62.100 -0.122 0.000 1.139 194 T CB -0.302 68.469 68.868 -0.161 0.000 0.871 194 T HN 0.196 nan 8.240 nan 0.000 0.454 195 A N 2.607 125.381 122.820 -0.077 0.000 1.877 195 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 195 A C 2.247 179.775 177.584 -0.093 0.000 1.186 195 A CA 1.461 53.456 52.037 -0.069 0.000 0.620 195 A CB -0.640 18.332 19.000 -0.046 0.000 0.822 195 A HN 0.372 nan 8.150 nan 0.000 0.443 196 N N -0.840 117.809 118.700 -0.084 0.000 2.166 196 N HA -0.146 4.594 4.740 -0.001 0.000 0.186 196 N C 1.385 176.741 175.510 -0.257 0.000 1.019 196 N CA 1.519 54.528 53.050 -0.069 0.000 0.856 196 N CB -0.644 37.909 38.487 0.111 0.000 0.993 196 N HN 0.567 nan 8.380 nan 0.000 0.426 197 F N 1.653 121.157 119.950 -0.743 0.000 2.102 197 F HA -0.043 4.483 4.527 -0.001 0.000 0.298 197 F C 1.990 177.570 175.800 -0.368 0.000 1.105 197 F CA 1.056 58.511 58.000 -0.908 0.000 1.239 197 F CB -0.468 37.996 39.000 -0.893 0.000 0.991 197 F HN -0.081 nan 8.300 nan 0.000 0.474 198 L N -0.434 120.552 121.223 -0.396 0.000 2.046 198 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 198 L C 2.387 179.073 176.870 -0.307 0.000 1.077 198 L CA 0.994 55.606 54.840 -0.379 0.000 0.747 198 L CB -0.845 41.119 42.059 -0.159 0.000 0.896 198 L HN 0.032 nan 8.230 nan 0.000 0.432 199 V N -0.002 119.784 119.914 -0.214 0.000 2.490 199 V HA -0.262 3.857 4.120 -0.001 0.000 0.250 199 V C 2.667 178.673 176.094 -0.148 0.000 1.061 199 V CA 1.655 63.871 62.300 -0.141 0.000 1.064 199 V CB -0.780 30.994 31.823 -0.080 0.000 0.670 199 V HN 0.486 nan 8.190 nan 0.000 0.461 200 A N -0.424 122.279 122.820 -0.194 0.000 2.015 200 A HA -0.036 4.284 4.320 -0.001 0.000 0.219 200 A C 2.034 179.497 177.584 -0.201 0.000 1.163 200 A CA 1.216 53.169 52.037 -0.140 0.000 0.646 200 A CB -0.365 18.598 19.000 -0.062 0.000 0.806 200 A HN 0.537 nan 8.150 nan 0.000 0.448 201 L N -1.677 119.349 121.223 -0.329 0.000 2.591 201 L HA 0.213 4.553 4.340 -0.001 0.000 0.228 201 L C 1.596 178.362 176.870 -0.174 0.000 1.133 201 L CA 0.621 55.292 54.840 -0.283 0.000 0.880 201 L CB -0.065 41.753 42.059 -0.403 0.000 1.033 201 L HN 0.574 nan 8.230 nan 0.000 0.450 202 G N -0.386 108.325 108.800 -0.148 0.000 2.192 202 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.193 202 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.193 202 G C 0.340 175.182 174.900 -0.096 0.000 0.999 202 G CA -0.170 44.869 45.100 -0.102 0.000 0.659 202 G HN 0.404 nan 8.290 nan 0.000 0.503 203 A N 0.154 122.903 122.820 -0.118 0.000 2.366 203 A HA 0.677 4.996 4.320 -0.001 0.000 0.249 203 A C 0.405 177.942 177.584 -0.078 0.000 1.084 203 A CA 0.263 52.241 52.037 -0.098 0.000 0.794 203 A CB 0.394 19.327 19.000 -0.112 0.000 1.034 203 A HN 0.347 nan 8.150 nan 0.000 0.491 204 K N 1.388 121.749 120.400 -0.064 0.000 2.389 204 K HA 0.583 4.903 4.320 -0.001 0.000 0.261 204 K C -1.408 175.162 176.600 -0.050 0.000 1.014 204 K CA 0.311 56.566 56.287 -0.052 0.000 0.920 204 K CB 0.969 33.442 32.500 -0.046 0.000 1.149 204 K HN 0.584 nan 8.250 nan 0.000 0.444 205 I N 1.740 122.281 120.570 -0.047 0.000 2.569 205 I HA 0.262 4.431 4.170 -0.001 0.000 0.290 205 I C -0.449 175.648 176.117 -0.033 0.000 1.088 205 I CA -0.684 60.590 61.300 -0.043 0.000 1.047 205 I CB 2.308 40.279 38.000 -0.048 0.000 1.237 205 I HN 0.554 nan 8.210 nan 0.000 0.421 206 S N 2.379 118.061 115.700 -0.030 0.000 2.595 206 S HA 0.850 5.320 4.470 -0.001 0.000 0.281 206 S C 0.307 174.895 174.600 -0.019 0.000 1.117 206 S CA -0.047 58.140 58.200 -0.023 0.000 0.873 206 S CB 2.090 65.277 63.200 -0.023 0.000 1.108 206 S HN 1.286 nan 8.310 nan 0.000 0.477 207 G N 0.719 109.512 108.800 -0.012 0.000 2.195 207 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.246 207 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.246 207 G C 0.112 175.011 174.900 -0.002 0.000 0.984 207 G CA 0.052 45.148 45.100 -0.007 0.000 0.633 207 G HN 1.224 nan 8.290 nan 0.000 0.525 208 Q N 0.370 120.166 119.800 -0.005 0.000 2.269 208 Q HA 0.369 4.708 4.340 -0.001 0.000 0.300 208 Q C 1.178 177.183 176.000 0.008 0.000 1.070 208 Q CA 1.207 57.008 55.803 -0.003 0.000 0.957 208 Q CB 0.804 29.536 28.738 -0.010 0.000 1.131 208 Q HN 1.842 nan 8.270 nan 0.000 0.377 209 G N 2.334 111.144 108.800 0.016 0.000 2.238 209 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 209 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 209 G C 0.263 175.187 174.900 0.040 0.000 0.996 209 G CA 0.201 45.322 45.100 0.034 0.000 0.632 209 G HN 1.106 nan 8.290 nan 0.000 0.503 210 T N -1.377 113.192 114.554 0.025 0.000 2.919 210 T HA 0.558 4.908 4.350 -0.001 0.000 0.282 210 T C 0.690 175.403 174.700 0.022 0.000 1.020 210 T CA 0.589 62.702 62.100 0.022 0.000 0.994 210 T CB 1.666 70.542 68.868 0.013 0.000 1.180 210 T HN 0.221 nan 8.240 nan 0.000 0.566 211 D N -1.204 119.208 120.400 0.020 0.000 2.319 211 D HA 0.130 4.769 4.640 -0.001 0.000 0.230 211 D C 0.523 176.838 176.300 0.026 0.000 1.094 211 D CA -0.296 53.717 54.000 0.022 0.000 0.856 211 D CB -0.093 40.718 40.800 0.019 0.000 0.915 211 D HN 0.515 nan 8.370 nan 0.000 0.517 212 R N 0.789 121.302 120.500 0.021 0.000 2.507 212 R HA 0.448 4.788 4.340 -0.001 0.000 0.298 212 R C -1.747 174.555 176.300 0.004 0.000 1.087 212 R CA -0.484 55.627 56.100 0.020 0.000 0.917 212 R CB 0.419 30.731 30.300 0.019 0.000 1.173 212 R HN 0.046 nan 8.270 nan 0.000 0.472 213 I N 3.581 124.152 120.570 0.001 0.000 2.377 213 I HA 0.378 4.548 4.170 -0.001 0.000 0.293 213 I C -0.340 175.760 176.117 -0.028 0.000 0.987 213 I CA -0.834 60.459 61.300 -0.012 0.000 1.185 213 I CB 2.427 40.421 38.000 -0.009 0.000 1.341 213 I HN 0.588 nan 8.210 nan 0.000 0.455 214 T N 6.991 121.523 114.554 -0.038 0.000 2.786 214 T HA 0.632 4.982 4.350 -0.001 0.000 0.283 214 T C -0.397 174.275 174.700 -0.047 0.000 0.992 214 T CA -0.328 61.740 62.100 -0.053 0.000 0.954 214 T CB 1.093 69.925 68.868 -0.060 0.000 0.934 214 T HN 0.169 nan 8.240 nan 0.000 0.440 215 I N 2.793 123.334 120.570 -0.049 0.000 2.465 215 I HA 0.393 4.562 4.170 -0.001 0.000 0.291 215 I C 0.000 176.089 176.117 -0.047 0.000 1.014 215 I CA -0.644 60.629 61.300 -0.046 0.000 1.093 215 I CB 1.988 39.963 38.000 -0.042 0.000 1.267 215 I HN 0.482 nan 8.210 nan 0.000 0.431 216 E N 3.933 124.106 120.200 -0.046 0.000 2.101 216 E HA 0.506 4.856 4.350 -0.001 0.000 0.260 216 E C 0.279 176.852 176.600 -0.045 0.000 0.897 216 E CA -0.391 55.983 56.400 -0.044 0.000 0.744 216 E CB 1.342 31.017 29.700 -0.042 0.000 1.140 216 E HN 0.777 nan 8.360 nan 0.000 0.419 217 G N 1.677 110.450 108.800 -0.044 0.000 2.670 217 G HA2 0.254 4.214 3.960 -0.001 0.000 0.233 217 G HA3 0.254 4.214 3.960 -0.001 0.000 0.233 217 G C 0.049 174.921 174.900 -0.046 0.000 1.251 217 G CA 0.082 45.155 45.100 -0.046 0.000 0.849 217 G HN 0.422 nan 8.290 nan 0.000 0.588 218 V N -1.750 118.133 119.914 -0.051 0.000 3.160 218 V HA 0.567 4.686 4.120 -0.001 0.000 0.310 218 V C 0.884 176.946 176.094 -0.054 0.000 1.181 218 V CA -0.772 61.498 62.300 -0.051 0.000 1.047 218 V CB 1.945 33.736 31.823 -0.055 0.000 1.068 218 V HN 0.661 nan 8.190 nan 0.000 0.441 219 E N 1.215 121.385 120.200 -0.051 0.000 2.051 219 E HA -0.077 4.273 4.350 -0.001 0.000 0.192 219 E C 0.588 177.148 176.600 -0.066 0.000 0.991 219 E CA 1.999 58.367 56.400 -0.054 0.000 0.799 219 E CB 0.144 29.817 29.700 -0.045 0.000 0.748 219 E HN 0.801 nan 8.360 nan 0.000 0.449 220 R N -1.587 118.874 120.500 -0.065 0.000 2.728 220 R HA 0.533 4.873 4.340 -0.001 0.000 0.274 220 R C -1.154 175.103 176.300 -0.071 0.000 1.030 220 R CA -0.715 55.340 56.100 -0.074 0.000 0.876 220 R CB 0.739 30.999 30.300 -0.067 0.000 1.259 220 R HN -0.161 nan 8.270 nan 0.000 0.468 221 L N 0.752 121.929 121.223 -0.076 0.000 2.346 221 L HA 0.639 4.979 4.340 -0.001 0.000 0.274 221 L C 0.596 177.426 176.870 -0.068 0.000 1.007 221 L CA -0.700 54.089 54.840 -0.085 0.000 0.818 221 L CB 2.063 44.059 42.059 -0.105 0.000 1.284 221 L HN 0.986 nan 8.230 nan 0.000 0.424 222 G N 0.943 109.700 108.800 -0.071 0.000 3.286 222 G HA2 0.622 4.581 3.960 -0.001 0.000 0.173 222 G HA3 0.622 4.581 3.960 -0.001 0.000 0.173 222 G C -0.033 174.841 174.900 -0.042 0.000 1.704 222 G CA 0.295 45.368 45.100 -0.045 0.000 1.041 222 G HN 0.749 nan 8.290 nan 0.000 0.561 223 G N -3.040 105.742 108.800 -0.029 0.000 3.176 223 G HA2 0.729 4.688 3.960 -0.001 0.000 0.272 223 G HA3 0.729 4.688 3.960 -0.001 0.000 0.272 223 G C -0.339 174.553 174.900 -0.014 0.000 1.349 223 G CA 0.105 45.201 45.100 -0.007 0.000 0.953 223 G HN 1.791 nan 8.290 nan 0.000 0.559 224 G N -2.640 106.179 108.800 0.032 0.000 2.345 224 G HA2 0.511 4.471 3.960 -0.001 0.000 0.285 224 G HA3 0.511 4.471 3.960 -0.001 0.000 0.285 224 G C -2.014 172.944 174.900 0.096 0.000 1.297 224 G CA 0.178 45.305 45.100 0.045 0.000 0.875 224 G HN 1.411 nan 8.290 nan 0.000 0.506 225 V N 0.382 120.360 119.914 0.107 0.000 2.577 225 V HA 0.706 4.825 4.120 -0.001 0.000 0.303 225 V C -1.326 174.878 176.094 0.183 0.000 1.042 225 V CA -0.600 61.770 62.300 0.116 0.000 0.872 225 V CB 1.487 33.347 31.823 0.062 0.000 0.998 225 V HN 0.937 nan 8.190 nan 0.000 0.423 226 Y N 4.061 124.409 120.300 0.080 0.000 2.421 226 Y HA 0.606 5.155 4.550 -0.001 0.000 0.339 226 Y C -0.182 175.724 175.900 0.010 0.000 0.996 226 Y CA -0.817 57.342 58.100 0.099 0.000 1.046 226 Y CB 1.750 40.399 38.460 0.316 0.000 1.226 226 Y HN 0.641 nan 8.280 nan 0.000 0.445 227 R N 5.556 125.735 120.500 -0.535 0.000 2.229 227 R HA 0.555 4.895 4.340 -0.001 0.000 0.332 227 R C -1.313 174.791 176.300 -0.327 0.000 0.989 227 R CA -0.504 55.397 56.100 -0.331 0.000 0.842 227 R CB 0.790 30.928 30.300 -0.270 0.000 1.119 227 R HN 0.633 nan 8.270 nan 0.000 0.456 228 V N 6.319 126.180 119.914 -0.089 0.000 2.788 228 V HA -0.037 4.083 4.120 -0.001 0.000 0.307 228 V C 1.042 177.114 176.094 -0.037 0.000 1.069 228 V CA 0.031 62.333 62.300 0.003 0.000 1.173 228 V CB 0.535 32.345 31.823 -0.023 0.000 0.925 228 V HN 0.689 nan 8.190 nan 0.000 0.492 229 L N 4.870 126.095 121.223 0.003 0.000 2.466 229 L HA 0.570 4.910 4.340 -0.001 0.000 0.257 229 L C -2.409 174.450 176.870 -0.019 0.000 1.189 229 L CA -1.714 53.117 54.840 -0.016 0.000 0.813 229 L CB 0.252 42.313 42.059 0.002 0.000 1.118 229 L HN 0.353 nan 8.230 nan 0.000 0.471 230 P HA -0.001 nan 4.420 nan 0.000 0.269 230 P C -1.196 176.100 177.300 -0.007 0.000 1.209 230 P CA 0.014 63.110 63.100 -0.006 0.000 0.776 230 P CB 0.349 32.051 31.700 0.003 0.000 0.876 231 D N 2.685 123.084 120.400 -0.000 0.000 2.352 231 D HA -0.002 4.638 4.640 -0.001 0.000 0.245 231 D C 1.324 177.628 176.300 0.006 0.000 1.224 231 D CA -0.067 53.927 54.000 -0.011 0.000 0.879 231 D CB 0.567 41.353 40.800 -0.024 0.000 1.057 231 D HN 0.344 nan 8.370 nan 0.000 0.491 232 R N 3.736 124.230 120.500 -0.010 0.000 2.115 232 R HA -0.112 4.228 4.340 -0.001 0.000 0.230 232 R C 1.443 177.750 176.300 0.011 0.000 1.111 232 R CA 0.561 56.661 56.100 0.001 0.000 0.976 232 R CB -0.125 30.160 30.300 -0.025 0.000 0.870 232 R HN 0.338 nan 8.270 nan 0.000 0.445 233 I N 1.829 122.391 120.570 -0.014 0.000 2.286 233 I HA -0.134 4.036 4.170 -0.001 0.000 0.245 233 I C 2.533 178.670 176.117 0.034 0.000 1.104 233 I CA 1.225 62.520 61.300 -0.008 0.000 1.397 233 I CB -1.237 36.736 38.000 -0.045 0.000 1.072 233 I HN 0.357 nan 8.210 nan 0.000 0.417 234 E N 0.957 121.164 120.200 0.012 0.000 2.077 234 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 234 E C 2.038 178.808 176.600 0.283 0.000 0.989 234 E CA 1.965 58.445 56.400 0.134 0.000 0.800 234 E CB 0.170 29.951 29.700 0.136 0.000 0.746 234 E HN 0.396 nan 8.360 nan 0.000 0.452 235 T N -0.191 114.489 114.554 0.210 0.000 2.652 235 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 235 T C 1.753 176.577 174.700 0.207 0.000 1.039 235 T CA 1.343 63.578 62.100 0.224 0.000 1.153 235 T CB -0.693 68.254 68.868 0.130 0.000 0.863 235 T HN 0.409 nan 8.240 nan 0.000 0.428 236 G N 0.892 109.778 108.800 0.144 0.000 2.432 236 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.219 236 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.219 236 G C 1.690 176.673 174.900 0.138 0.000 1.135 236 G CA 1.426 46.616 45.100 0.150 0.000 0.767 236 G HN 0.463 nan 8.290 nan 0.000 0.550 237 T N 0.937 115.550 114.554 0.098 0.000 2.708 237 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 237 T C 2.038 176.662 174.700 -0.128 0.000 1.037 237 T CA 1.053 63.135 62.100 -0.029 0.000 1.146 237 T CB -0.365 68.475 68.868 -0.047 0.000 0.865 237 T HN 0.276 nan 8.240 nan 0.000 0.435 238 F N 0.917 120.928 119.950 0.102 0.000 2.234 238 F HA 0.084 4.611 4.527 -0.001 0.000 0.299 238 F C 2.115 177.943 175.800 0.045 0.000 1.087 238 F CA 0.602 58.641 58.000 0.065 0.000 1.340 238 F CB -0.495 38.549 39.000 0.074 0.000 1.031 238 F HN 0.066 nan 8.300 nan 0.000 0.500 239 L N -0.900 120.448 121.223 0.208 0.000 2.056 239 L HA -0.195 4.145 4.340 -0.001 0.000 0.207 239 L C 2.319 179.225 176.870 0.059 0.000 1.078 239 L CA 0.660 55.582 54.840 0.136 0.000 0.749 239 L CB -0.704 41.440 42.059 0.141 0.000 0.901 239 L HN -0.033 nan 8.230 nan 0.000 0.433 240 V N -0.037 119.885 119.914 0.014 0.000 2.427 240 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 240 V C 2.753 178.802 176.094 -0.074 0.000 1.051 240 V CA 1.588 63.828 62.300 -0.099 0.000 1.048 240 V CB -0.739 30.983 31.823 -0.169 0.000 0.666 240 V HN 0.469 nan 8.190 nan 0.000 0.456 241 A N 0.136 122.933 122.820 -0.038 0.000 1.917 241 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 241 A C 2.386 179.972 177.584 0.004 0.000 1.182 241 A CA 2.462 54.486 52.037 -0.022 0.000 0.633 241 A CB -0.723 18.289 19.000 0.019 0.000 0.819 241 A HN 0.590 nan 8.150 nan 0.000 0.448 242 A N -0.643 122.196 122.820 0.031 0.000 1.930 242 A HA 0.326 4.646 4.320 -0.001 0.000 0.215 242 A C 2.471 180.049 177.584 -0.010 0.000 1.176 242 A CA 1.625 53.674 52.037 0.020 0.000 0.632 242 A CB -0.911 18.111 19.000 0.037 0.000 0.819 242 A HN 1.063 nan 8.150 nan 0.000 0.445 243 A N 0.665 123.472 122.820 -0.022 0.000 1.972 243 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 243 A C 1.998 179.550 177.584 -0.054 0.000 1.169 243 A CA 1.525 53.538 52.037 -0.041 0.000 0.635 243 A CB -0.743 18.216 19.000 -0.067 0.000 0.810 243 A HN 1.000 nan 8.150 nan 0.000 0.446 244 I N -2.856 117.674 120.570 -0.066 0.000 3.793 244 I HA 0.131 4.301 4.170 -0.001 0.000 0.315 244 I C 1.217 177.311 176.117 -0.040 0.000 1.275 244 I CA 1.058 62.321 61.300 -0.063 0.000 1.214 244 I CB 0.288 38.238 38.000 -0.082 0.000 1.018 244 I HN 0.221 nan 8.210 nan 0.000 0.439 245 S N -0.174 115.509 115.700 -0.028 0.000 2.663 245 S HA 0.448 4.918 4.470 -0.001 0.000 0.243 245 S C 1.450 176.043 174.600 -0.012 0.000 1.009 245 S CA 0.122 58.311 58.200 -0.018 0.000 0.988 245 S CB 0.228 63.421 63.200 -0.012 0.000 0.896 245 S HN 0.711 nan 8.310 nan 0.000 0.502 246 G N 0.560 109.352 108.800 -0.013 0.000 2.180 246 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.263 246 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.263 246 G C 0.567 175.460 174.900 -0.013 0.000 0.989 246 G CA 0.188 45.284 45.100 -0.007 0.000 0.692 246 G HN 1.103 nan 8.290 nan 0.000 0.526 247 G N -0.995 107.795 108.800 -0.016 0.000 2.532 247 G HA2 0.629 4.588 3.960 -0.001 0.000 0.291 247 G HA3 0.629 4.588 3.960 -0.001 0.000 0.291 247 G C -0.206 174.671 174.900 -0.038 0.000 1.349 247 G CA 0.027 45.115 45.100 -0.019 0.000 1.038 247 G HN 0.602 nan 8.290 nan 0.000 0.518 248 K N -1.023 119.358 120.400 -0.032 0.000 2.468 248 K HA 0.657 4.977 4.320 -0.001 0.000 0.252 248 K C -1.673 174.922 176.600 -0.008 0.000 0.932 248 K CA -0.729 55.534 56.287 -0.040 0.000 0.794 248 K CB 2.201 34.663 32.500 -0.063 0.000 1.241 248 K HN 0.447 nan 8.250 nan 0.000 0.428 249 I N 2.594 123.171 120.570 0.011 0.000 3.006 249 I HA 0.461 4.630 4.170 -0.001 0.000 0.306 249 I C -1.784 174.361 176.117 0.046 0.000 1.250 249 I CA -0.997 60.319 61.300 0.026 0.000 0.996 249 I CB 2.423 40.457 38.000 0.056 0.000 1.261 249 I HN 0.401 nan 8.210 nan 0.000 0.442 250 V N 4.687 124.620 119.914 0.033 0.000 2.525 250 V HA 0.356 4.475 4.120 -0.001 0.000 0.299 250 V C -0.765 175.364 176.094 0.059 0.000 1.034 250 V CA -0.568 61.770 62.300 0.064 0.000 0.863 250 V CB 1.427 33.241 31.823 -0.014 0.000 0.999 250 V HN 0.777 nan 8.190 nan 0.000 0.423 251 C N 6.111 125.485 119.300 0.123 0.000 2.285 251 C HA 0.637 5.097 4.460 -0.001 0.000 0.335 251 C C 0.510 175.576 174.990 0.126 0.000 1.267 251 C CA -1.034 58.036 59.018 0.087 0.000 1.762 251 C CB 0.149 27.956 27.740 0.111 0.000 2.365 251 C HN 0.740 nan 8.230 nan 0.000 0.527 252 R N 2.330 122.868 120.500 0.063 0.000 2.573 252 R HA 0.293 4.633 4.340 -0.001 0.000 0.272 252 R C 0.263 176.600 176.300 0.063 0.000 1.009 252 R CA -0.418 55.731 56.100 0.081 0.000 1.059 252 R CB 0.353 30.666 30.300 0.022 0.000 1.112 252 R HN 0.793 nan 8.270 nan 0.000 0.517 253 N N -1.253 117.491 118.700 0.073 0.000 2.747 253 N HA -0.195 4.545 4.740 -0.001 0.000 0.249 253 N C -1.108 174.427 175.510 0.041 0.000 1.107 253 N CA 1.221 54.297 53.050 0.044 0.000 0.707 253 N CB -0.898 37.600 38.487 0.019 0.000 1.054 253 N HN 0.749 nan 8.380 nan 0.000 0.555 254 A N -0.198 122.658 122.820 0.060 0.000 2.281 254 A HA 0.684 5.004 4.320 -0.001 0.000 0.329 254 A C 0.162 177.753 177.584 0.012 0.000 1.122 254 A CA -0.409 51.654 52.037 0.043 0.000 0.850 254 A CB 1.109 20.148 19.000 0.064 0.000 1.207 254 A HN 0.211 nan 8.150 nan 0.000 0.495 255 Q N 1.102 120.901 119.800 -0.002 0.000 2.558 255 Q HA 0.325 4.664 4.340 -0.001 0.000 0.252 255 Q C -2.209 173.775 176.000 -0.026 0.000 1.015 255 Q CA -1.879 53.911 55.803 -0.021 0.000 0.720 255 Q CB 1.262 29.990 28.738 -0.016 0.000 1.215 255 Q HN 0.447 nan 8.270 nan 0.000 0.500 256 P HA -0.227 nan 4.420 nan 0.000 0.216 256 P C 0.601 177.884 177.300 -0.027 0.000 1.157 256 P CA 1.617 64.681 63.100 -0.059 0.000 0.880 256 P CB 0.166 31.790 31.700 -0.127 0.000 0.791 257 D N -1.211 119.175 120.400 -0.024 0.000 2.403 257 D HA -0.113 4.526 4.640 -0.001 0.000 0.227 257 D C 1.048 177.376 176.300 0.047 0.000 0.995 257 D CA 1.385 55.387 54.000 0.004 0.000 0.928 257 D CB -1.403 39.398 40.800 0.001 0.000 0.887 257 D HN 0.250 nan 8.370 nan 0.000 0.529 258 T N -2.902 111.676 114.554 0.040 0.000 3.086 258 T HA 0.228 4.578 4.350 -0.001 0.000 0.250 258 T C 1.212 175.971 174.700 0.099 0.000 1.074 258 T CA -0.321 61.820 62.100 0.069 0.000 0.988 258 T CB -0.221 68.637 68.868 -0.018 0.000 0.988 258 T HN 0.186 nan 8.240 nan 0.000 0.530 259 L N 0.867 122.124 121.223 0.058 0.000 3.289 259 L HA 0.368 4.708 4.340 -0.001 0.000 0.291 259 L C 0.754 177.637 176.870 0.022 0.000 1.279 259 L CA -0.302 54.559 54.840 0.034 0.000 1.025 259 L CB 0.561 42.636 42.059 0.027 0.000 1.413 259 L HN -0.001 nan 8.230 nan 0.000 0.593 260 D N 1.399 121.810 120.400 0.018 0.000 2.104 260 D HA -0.210 4.430 4.640 -0.001 0.000 0.194 260 D C 2.118 178.422 176.300 0.006 0.000 0.994 260 D CA 1.677 55.679 54.000 0.003 0.000 0.830 260 D CB 0.267 41.058 40.800 -0.015 0.000 0.959 260 D HN 0.421 nan 8.370 nan 0.000 0.452 261 A N 0.848 123.660 122.820 -0.012 0.000 1.877 261 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 261 A C 2.623 180.236 177.584 0.048 0.000 1.186 261 A CA 1.354 53.399 52.037 0.014 0.000 0.620 261 A CB -0.840 18.157 19.000 -0.005 0.000 0.822 261 A HN 0.140 nan 8.150 nan 0.000 0.443 262 V N 0.344 120.245 119.914 -0.023 0.000 2.287 262 V HA -0.279 3.841 4.120 -0.001 0.000 0.248 262 V C 2.597 178.790 176.094 0.164 0.000 1.053 262 V CA 2.072 64.385 62.300 0.023 0.000 1.027 262 V CB -0.830 30.982 31.823 -0.018 0.000 0.646 262 V HN 0.568 nan 8.190 nan 0.000 0.447 263 L N 0.005 121.293 121.223 0.108 0.000 2.046 263 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 263 L C 2.752 179.690 176.870 0.112 0.000 1.077 263 L CA 1.548 56.455 54.840 0.112 0.000 0.747 263 L CB -0.903 41.193 42.059 0.062 0.000 0.896 263 L HN 0.370 nan 8.230 nan 0.000 0.432 264 A N -0.033 122.839 122.820 0.088 0.000 1.902 264 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 264 A C 2.295 179.944 177.584 0.108 0.000 1.181 264 A CA 1.755 53.838 52.037 0.077 0.000 0.623 264 A CB -0.344 18.687 19.000 0.051 0.000 0.818 264 A HN 0.158 nan 8.150 nan 0.000 0.443 265 K N -0.219 120.270 120.400 0.147 0.000 2.097 265 K HA 0.094 4.414 4.320 -0.001 0.000 0.205 265 K C 1.740 178.514 176.600 0.290 0.000 1.050 265 K CA 0.955 57.360 56.287 0.197 0.000 0.938 265 K CB -0.521 32.080 32.500 0.168 0.000 0.718 265 K HN 0.513 nan 8.250 nan 0.000 0.442 266 L N 0.043 121.457 121.223 0.318 0.000 2.141 266 L HA -0.139 4.201 4.340 -0.001 0.000 0.209 266 L C 2.258 179.215 176.870 0.144 0.000 1.094 266 L CA 1.156 56.142 54.840 0.243 0.000 0.763 266 L CB -0.220 41.969 42.059 0.216 0.000 0.908 266 L HN 0.133 nan 8.230 nan 0.000 0.437 267 R N -0.001 120.574 120.500 0.124 0.000 2.092 267 R HA -0.141 4.199 4.340 -0.001 0.000 0.231 267 R C 1.992 178.341 176.300 0.082 0.000 1.119 267 R CA 1.127 57.282 56.100 0.090 0.000 0.970 267 R CB -0.200 30.145 30.300 0.075 0.000 0.864 267 R HN 0.457 nan 8.270 nan 0.000 0.440 268 E N 0.375 120.629 120.200 0.090 0.000 2.274 268 E HA -0.083 4.267 4.350 -0.001 0.000 0.194 268 E C 1.547 178.191 176.600 0.072 0.000 0.996 268 E CA 0.791 57.234 56.400 0.072 0.000 0.840 268 E CB 0.111 29.852 29.700 0.069 0.000 0.772 268 E HN 0.312 nan 8.360 nan 0.000 0.491 269 A N 0.068 122.941 122.820 0.089 0.000 2.208 269 A HA 0.254 4.574 4.320 -0.001 0.000 0.209 269 A C 1.675 179.290 177.584 0.051 0.000 1.161 269 A CA 0.829 52.906 52.037 0.067 0.000 0.782 269 A CB -0.049 18.992 19.000 0.068 0.000 0.816 269 A HN 0.321 nan 8.150 nan 0.000 0.477 270 G N -2.307 106.530 108.800 0.060 0.000 2.163 270 G HA2 0.164 4.124 3.960 -0.001 0.000 0.213 270 G HA3 0.164 4.124 3.960 -0.001 0.000 0.213 270 G C 0.335 175.279 174.900 0.073 0.000 0.991 270 G CA 0.074 45.211 45.100 0.061 0.000 0.653 270 G HN 1.472 nan 8.290 nan 0.000 0.518 271 A N 0.238 123.099 122.820 0.068 0.000 2.388 271 A HA 0.563 4.882 4.320 -0.001 0.000 0.257 271 A C 0.141 177.772 177.584 0.078 0.000 1.095 271 A CA 0.601 52.675 52.037 0.062 0.000 0.791 271 A CB 0.554 19.588 19.000 0.057 0.000 1.029 271 A HN 0.580 nan 8.150 nan 0.000 0.489 272 D N 2.368 122.813 120.400 0.075 0.000 2.428 272 D HA 0.450 5.090 4.640 -0.001 0.000 0.221 272 D C -0.489 175.857 176.300 0.077 0.000 1.123 272 D CA 0.056 54.120 54.000 0.107 0.000 0.869 272 D CB -0.064 40.858 40.800 0.203 0.000 1.032 272 D HN 0.360 nan 8.370 nan 0.000 0.506 273 I N 2.849 123.468 120.570 0.081 0.000 2.525 273 I HA 0.401 4.571 4.170 -0.001 0.000 0.301 273 I C 0.222 176.387 176.117 0.080 0.000 0.992 273 I CA -0.796 60.552 61.300 0.079 0.000 1.162 273 I CB 1.636 39.676 38.000 0.067 0.000 1.332 273 I HN 0.224 nan 8.210 nan 0.000 0.458 274 E N 3.530 123.789 120.200 0.098 0.000 2.331 274 E HA 0.487 4.837 4.350 -0.001 0.000 0.275 274 E C -1.130 175.416 176.600 -0.090 0.000 0.895 274 E CA -0.599 55.849 56.400 0.080 0.000 0.753 274 E CB 2.683 32.525 29.700 0.236 0.000 1.216 274 E HN 0.705 nan 8.360 nan 0.000 0.434 275 T N -1.496 112.839 114.554 -0.365 0.000 2.901 275 T HA 0.862 5.212 4.350 -0.001 0.000 0.293 275 T C 0.221 174.165 174.700 -1.260 0.000 1.084 275 T CA -0.688 60.936 62.100 -0.793 0.000 1.008 275 T CB 2.223 70.844 68.868 -0.412 0.000 1.170 275 T HN 0.468 nan 8.240 nan 0.000 0.509 276 G N -0.256 107.517 108.800 -1.712 0.000 3.176 276 G HA2 0.494 4.453 3.960 -0.001 0.000 0.272 276 G HA3 0.494 4.453 3.960 -0.001 0.000 0.272 276 G C 0.235 174.766 174.900 -0.614 0.000 1.349 276 G CA -0.375 43.966 45.100 -1.265 0.000 0.953 276 G HN 0.730 nan 8.290 nan 0.000 0.559 277 E N -0.418 119.624 120.200 -0.263 0.000 2.150 277 E HA -0.078 4.272 4.350 -0.001 0.000 0.193 277 E C 0.901 177.446 176.600 -0.092 0.000 0.985 277 E CA 2.154 58.487 56.400 -0.112 0.000 0.814 277 E CB 0.142 29.840 29.700 -0.003 0.000 0.752 277 E HN 0.456 nan 8.360 nan 0.000 0.466 278 D N -1.174 119.198 120.400 -0.046 0.000 2.712 278 D HA 0.074 4.714 4.640 -0.001 0.000 0.300 278 D C -0.451 175.938 176.300 0.148 0.000 1.521 278 D CA -0.567 53.457 54.000 0.040 0.000 0.790 278 D CB -0.920 39.934 40.800 0.091 0.000 1.155 278 D HN 0.312 nan 8.370 nan 0.000 0.456 279 W N 0.012 121.315 121.300 0.004 0.000 3.075 279 W HA 0.707 5.366 4.660 -0.000 0.000 0.334 279 W C -2.033 174.495 176.519 0.014 0.000 1.243 279 W CA -1.338 56.010 57.345 0.005 0.000 1.170 279 W CB 0.548 30.007 29.460 -0.000 0.000 1.452 279 W HN -0.289 nan 8.180 nan 0.000 0.572 280 I N 2.907 123.675 120.570 0.329 0.000 2.607 280 I HA 0.295 4.464 4.170 -0.001 0.000 0.290 280 I C -0.296 176.038 176.117 0.362 0.000 1.129 280 I CA -0.715 60.698 61.300 0.189 0.000 1.042 280 I CB 2.555 40.603 38.000 0.079 0.000 1.242 280 I HN 0.454 nan 8.210 nan 0.000 0.421 281 S N 6.971 122.899 115.700 0.380 0.000 2.500 281 S HA 0.840 5.310 4.470 -0.001 0.000 0.301 281 S C -1.039 173.659 174.600 0.163 0.000 1.092 281 S CA -0.722 57.648 58.200 0.284 0.000 1.030 281 S CB 2.266 65.668 63.200 0.337 0.000 1.031 281 S HN 0.646 nan 8.310 nan 0.000 0.483 282 L N 2.325 123.606 121.223 0.097 0.000 2.410 282 L HA 0.682 5.022 4.340 -0.001 0.000 0.270 282 L C -1.888 174.973 176.870 -0.015 0.000 0.983 282 L CA -0.301 54.569 54.840 0.051 0.000 0.822 282 L CB 1.888 43.984 42.059 0.061 0.000 1.285 282 L HN 0.834 nan 8.230 nan 0.000 0.409 283 D N 4.926 125.274 120.400 -0.087 0.000 2.696 283 D HA 0.289 4.929 4.640 -0.001 0.000 0.251 283 D C 0.180 176.296 176.300 -0.308 0.000 1.188 283 D CA -0.416 53.429 54.000 -0.258 0.000 0.876 283 D CB 1.900 42.427 40.800 -0.455 0.000 1.334 283 D HN 0.495 nan 8.370 nan 0.000 0.540 284 M N 1.646 121.122 119.600 -0.207 0.000 2.502 284 M HA 0.028 4.507 4.480 -0.001 0.000 0.243 284 M C 0.177 176.472 176.300 -0.007 0.000 1.130 284 M CA 0.193 55.446 55.300 -0.079 0.000 1.055 284 M CB -0.634 31.949 32.600 -0.028 0.000 1.457 284 M HN 0.493 nan 8.290 nan 0.000 0.488 285 H N 0.204 119.286 119.070 0.020 0.000 2.741 285 H HA -0.165 4.391 4.556 -0.001 0.000 0.305 285 H C 1.328 176.663 175.328 0.011 0.000 1.169 285 H CA 0.942 57.000 56.048 0.016 0.000 1.144 285 H CB -2.201 27.572 29.762 0.017 0.000 1.397 285 H HN 0.654 nan 8.280 nan 0.000 0.409 286 G N -0.606 108.237 108.800 0.072 0.000 2.175 286 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.265 286 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.265 286 G C 0.373 175.300 174.900 0.044 0.000 0.979 286 G CA 0.914 46.043 45.100 0.048 0.000 0.663 286 G HN 0.391 nan 8.290 nan 0.000 0.533 287 K N 0.077 120.511 120.400 0.056 0.000 2.098 287 K HA 0.458 4.778 4.320 -0.001 0.000 0.261 287 K C 0.690 177.304 176.600 0.023 0.000 0.987 287 K CA -0.959 55.353 56.287 0.043 0.000 0.916 287 K CB 1.093 33.629 32.500 0.059 0.000 1.039 287 K HN 0.413 nan 8.250 nan 0.000 0.455 288 R N 2.748 123.256 120.500 0.014 0.000 2.490 288 R HA 0.158 4.497 4.340 -0.001 0.000 0.280 288 R C -1.996 174.306 176.300 0.004 0.000 1.077 288 R CA -1.148 54.954 56.100 0.002 0.000 1.065 288 R CB 0.357 30.656 30.300 -0.001 0.000 1.003 288 R HN 0.368 nan 8.270 nan 0.000 0.470 289 P HA 0.070 nan 4.420 nan 0.000 0.272 289 P C -1.268 176.033 177.300 0.001 0.000 1.223 289 P CA -0.060 63.036 63.100 -0.007 0.000 0.784 289 P CB 0.735 32.416 31.700 -0.032 0.000 0.923 290 K N 0.944 121.351 120.400 0.013 0.000 2.172 290 K HA 0.486 4.806 4.320 -0.001 0.000 0.276 290 K C 0.221 176.832 176.600 0.018 0.000 1.013 290 K CA -0.643 55.655 56.287 0.017 0.000 0.913 290 K CB 1.426 33.941 32.500 0.026 0.000 1.055 290 K HN 0.535 nan 8.250 nan 0.000 0.461 291 A N 2.382 125.209 122.820 0.011 0.000 2.511 291 A HA 0.291 4.611 4.320 -0.001 0.000 0.242 291 A C 0.404 178.000 177.584 0.019 0.000 1.069 291 A CA -0.337 51.705 52.037 0.008 0.000 0.763 291 A CB -0.050 18.947 19.000 -0.004 0.000 1.001 291 A HN 0.555 nan 8.150 nan 0.000 0.498 292 V N -0.167 119.766 119.914 0.031 0.000 3.126 292 V HA 0.876 4.995 4.120 -0.001 0.000 0.314 292 V C -0.050 176.038 176.094 -0.009 0.000 1.138 292 V CA -0.645 61.674 62.300 0.031 0.000 1.034 292 V CB 1.707 33.582 31.823 0.086 0.000 1.075 292 V HN 0.755 nan 8.190 nan 0.000 0.442 293 T N 1.600 116.132 114.554 -0.038 0.000 2.797 293 T HA 0.735 5.085 4.350 -0.001 0.000 0.279 293 T C -0.576 174.035 174.700 -0.148 0.000 0.991 293 T CA -0.278 61.777 62.100 -0.075 0.000 0.979 293 T CB 1.369 70.205 68.868 -0.054 0.000 0.943 293 T HN 0.728 nan 8.240 nan 0.000 0.444 294 V N 3.461 123.247 119.914 -0.215 0.000 2.823 294 V HA 0.680 4.800 4.120 -0.001 0.000 0.312 294 V C -0.261 175.682 176.094 -0.252 0.000 1.072 294 V CA -0.995 61.063 62.300 -0.403 0.000 0.937 294 V CB 2.311 33.642 31.823 -0.820 0.000 1.013 294 V HN 0.736 nan 8.190 nan 0.000 0.430 295 R N 1.860 122.231 120.500 -0.215 0.000 2.518 295 R HA 0.443 4.783 4.340 -0.001 0.000 0.296 295 R C -0.382 175.928 176.300 0.017 0.000 1.080 295 R CA -0.298 55.762 56.100 -0.067 0.000 0.922 295 R CB 1.679 31.957 30.300 -0.037 0.000 1.184 295 R HN 0.954 nan 8.270 nan 0.000 0.445 296 T N 1.046 115.652 114.554 0.085 0.000 2.913 296 T HA 0.735 5.085 4.350 -0.001 0.000 0.297 296 T C 0.084 174.831 174.700 0.078 0.000 1.029 296 T CA -0.143 62.066 62.100 0.182 0.000 1.104 296 T CB 1.632 70.622 68.868 0.203 0.000 0.964 296 T HN 0.649 nan 8.240 nan 0.000 0.532 297 A N 3.304 126.164 122.820 0.065 0.000 2.540 297 A HA 0.753 5.073 4.320 -0.001 0.000 0.291 297 A C -3.134 174.456 177.584 0.010 0.000 1.083 297 A CA -1.711 50.334 52.037 0.013 0.000 0.650 297 A CB 0.230 19.233 19.000 0.006 0.000 1.292 297 A HN 0.654 nan 8.150 nan 0.000 0.435 298 P HA 0.213 nan 4.420 nan 0.000 0.268 298 P C -0.317 177.006 177.300 0.038 0.000 1.208 298 P CA 0.444 63.554 63.100 0.018 0.000 0.777 298 P CB 0.128 31.832 31.700 0.006 0.000 0.875 299 H N 4.445 123.502 119.070 -0.020 0.000 3.016 299 H HA -0.000 4.556 4.556 -0.000 0.000 0.345 299 H C -1.184 174.135 175.328 -0.015 0.000 1.066 299 H CA -0.591 55.443 56.048 -0.023 0.000 1.390 299 H CB 0.243 29.992 29.762 -0.022 0.000 1.344 299 H HN 0.330 nan 8.280 nan 0.000 0.605 300 P HA 0.108 nan 4.420 nan 0.000 0.255 300 P C -0.354 176.719 177.300 -0.379 0.000 1.301 300 P CA 0.249 62.746 63.100 -1.006 0.000 0.817 300 P CB -0.112 31.157 31.700 -0.719 0.000 1.259 301 A N 0.468 123.183 122.820 -0.175 0.000 2.292 301 A HA 0.226 4.545 4.320 -0.001 0.000 0.265 301 A C -0.156 177.427 177.584 -0.001 0.000 1.133 301 A CA -0.521 51.486 52.037 -0.051 0.000 0.807 301 A CB -0.557 18.439 19.000 -0.007 0.000 1.102 301 A HN 0.169 nan 8.150 nan 0.000 0.502 302 F N 1.664 121.561 119.950 -0.088 0.000 2.602 302 F HA 0.280 4.807 4.527 -0.001 0.000 0.385 302 F C -1.662 174.104 175.800 -0.056 0.000 1.063 302 F CA -1.301 56.635 58.000 -0.107 0.000 1.233 302 F CB 0.614 39.519 39.000 -0.159 0.000 1.067 302 F HN 0.263 nan 8.300 nan 0.000 0.564 303 P HA 0.022 nan 4.420 nan 0.000 0.285 303 P C 0.222 177.470 177.300 -0.087 0.000 1.259 303 P CA -0.215 62.759 63.100 -0.210 0.000 0.794 303 P CB 1.620 33.190 31.700 -0.217 0.000 0.940 304 T N 1.137 115.740 114.554 0.081 0.000 2.849 304 T HA -0.130 4.220 4.350 -0.001 0.000 0.270 304 T C 0.944 175.740 174.700 0.160 0.000 1.066 304 T CA 1.589 63.797 62.100 0.179 0.000 1.130 304 T CB -0.683 68.306 68.868 0.203 0.000 0.864 304 T HN 0.312 nan 8.240 nan 0.000 0.481 305 D N 0.352 120.802 120.400 0.084 0.000 2.371 305 D HA 0.047 4.687 4.640 -0.001 0.000 0.221 305 D C 1.317 177.648 176.300 0.051 0.000 0.986 305 D CA 0.528 54.565 54.000 0.062 0.000 0.899 305 D CB 0.087 40.907 40.800 0.034 0.000 0.902 305 D HN 0.414 nan 8.370 nan 0.000 0.530 306 M N -0.145 119.472 119.600 0.028 0.000 2.313 306 M HA 0.060 4.539 4.480 -0.001 0.000 0.273 306 M C 1.624 178.173 176.300 0.415 0.000 1.049 306 M CA 0.068 55.436 55.300 0.113 0.000 1.004 306 M CB 0.532 33.020 32.600 -0.188 0.000 1.461 306 M HN -0.031 nan 8.290 nan 0.000 0.514 307 Q N 1.101 121.139 119.800 0.398 0.000 2.020 307 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 307 Q C 1.774 177.939 176.000 0.275 0.000 0.982 307 Q CA 2.211 58.281 55.803 0.444 0.000 0.838 307 Q CB 0.085 29.041 28.738 0.365 0.000 0.899 307 Q HN 0.459 nan 8.270 nan 0.000 0.423 308 A N 0.611 123.442 122.820 0.018 0.000 1.908 308 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 308 A C 2.002 179.524 177.584 -0.103 0.000 1.181 308 A CA 1.891 53.672 52.037 -0.426 0.000 0.627 308 A CB -0.566 18.044 19.000 -0.650 0.000 0.818 308 A HN 0.493 nan 8.150 nan 0.000 0.445 309 Q N -1.304 118.527 119.800 0.053 0.000 2.084 309 Q HA -0.071 4.268 4.340 -0.001 0.000 0.202 309 Q C 1.645 177.691 176.000 0.076 0.000 0.978 309 Q CA 1.648 57.489 55.803 0.064 0.000 0.844 309 Q CB -0.432 28.371 28.738 0.109 0.000 0.898 309 Q HN 0.689 nan 8.270 nan 0.000 0.426 310 F N -0.007 120.016 119.950 0.121 0.000 2.456 310 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 310 F C 2.131 177.962 175.800 0.050 0.000 1.104 310 F CA 1.043 59.107 58.000 0.107 0.000 1.435 310 F CB -0.320 38.770 39.000 0.150 0.000 1.078 310 F HN 0.014 nan 8.300 nan 0.000 0.546 311 T N 0.636 115.322 114.554 0.220 0.000 2.708 311 T HA -0.205 4.144 4.350 -0.001 0.000 0.266 311 T C 2.031 176.780 174.700 0.082 0.000 1.037 311 T CA 1.412 63.610 62.100 0.163 0.000 1.146 311 T CB -0.581 68.488 68.868 0.335 0.000 0.865 311 T HN 0.138 nan 8.240 nan 0.000 0.435 312 L N 1.366 122.629 121.223 0.067 0.000 1.989 312 L HA -0.004 4.335 4.340 -0.001 0.000 0.211 312 L C 2.260 179.105 176.870 -0.042 0.000 1.071 312 L CA 1.598 56.444 54.840 0.009 0.000 0.749 312 L CB -1.060 40.990 42.059 -0.016 0.000 0.890 312 L HN 0.277 nan 8.230 nan 0.000 0.431 313 L N -0.300 120.865 121.223 -0.097 0.000 2.013 313 L HA -0.300 4.039 4.340 -0.001 0.000 0.212 313 L C 2.282 179.105 176.870 -0.078 0.000 1.073 313 L CA 1.975 56.729 54.840 -0.143 0.000 0.753 313 L CB -0.572 41.294 42.059 -0.323 0.000 0.890 313 L HN 0.432 nan 8.230 nan 0.000 0.432 314 N N -0.135 118.542 118.700 -0.040 0.000 2.188 314 N HA -0.141 4.598 4.740 -0.001 0.000 0.184 314 N C 1.819 177.305 175.510 -0.039 0.000 1.018 314 N CA 1.336 54.370 53.050 -0.028 0.000 0.858 314 N CB -0.344 38.132 38.487 -0.019 0.000 0.989 314 N HN 0.389 nan 8.380 nan 0.000 0.426 315 L N 0.616 121.816 121.223 -0.038 0.000 2.456 315 L HA -0.050 4.290 4.340 -0.001 0.000 0.224 315 L C 1.421 178.256 176.870 -0.059 0.000 1.148 315 L CA 0.579 55.391 54.840 -0.046 0.000 0.825 315 L CB -0.052 41.987 42.059 -0.034 0.000 0.937 315 L HN 0.079 nan 8.230 nan 0.000 0.450 316 V N -5.027 114.855 119.914 -0.053 0.000 3.253 316 V HA 0.533 4.653 4.120 -0.001 0.000 0.320 316 V C 0.687 176.755 176.094 -0.043 0.000 1.442 316 V CA -0.226 62.042 62.300 -0.053 0.000 1.097 316 V CB -0.202 31.591 31.823 -0.050 0.000 1.008 316 V HN 0.092 nan 8.190 nan 0.000 0.463 317 A N 0.488 123.286 122.820 -0.037 0.000 2.248 317 A HA 0.725 5.045 4.320 -0.001 0.000 0.316 317 A C 0.042 177.618 177.584 -0.013 0.000 1.101 317 A CA -0.667 51.356 52.037 -0.024 0.000 0.875 317 A CB 0.482 19.469 19.000 -0.021 0.000 1.207 317 A HN 0.562 nan 8.150 nan 0.000 0.504 318 E N 0.049 120.247 120.200 -0.003 0.000 2.229 318 E HA 0.468 4.818 4.350 -0.001 0.000 0.283 318 E C 0.421 177.028 176.600 0.011 0.000 1.030 318 E CA 0.617 57.020 56.400 0.006 0.000 0.836 318 E CB 0.815 30.520 29.700 0.008 0.000 1.068 318 E HN 1.290 nan 8.360 nan 0.000 0.401 319 G N 2.440 111.253 108.800 0.022 0.000 2.549 319 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.404 319 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.404 319 G C -0.581 174.336 174.900 0.029 0.000 1.292 319 G CA -0.948 44.170 45.100 0.029 0.000 0.935 319 G HN 0.417 nan 8.290 nan 0.000 0.512 320 T N 1.086 115.652 114.554 0.021 0.000 2.749 320 T HA 0.639 4.989 4.350 -0.001 0.000 0.287 320 T C 0.672 175.337 174.700 -0.058 0.000 0.970 320 T CA 0.548 62.633 62.100 -0.025 0.000 0.980 320 T CB 1.325 70.198 68.868 0.009 0.000 0.924 320 T HN 1.475 nan 8.240 nan 0.000 0.456 321 G N 1.666 110.407 108.800 -0.098 0.000 2.416 321 G HA2 0.611 4.570 3.960 -0.001 0.000 0.329 321 G HA3 0.611 4.570 3.960 -0.001 0.000 0.329 321 G C -1.077 173.758 174.900 -0.109 0.000 1.173 321 G CA -0.516 44.538 45.100 -0.076 0.000 0.929 321 G HN 0.645 nan 8.290 nan 0.000 0.475 322 V N 3.472 123.336 119.914 -0.083 0.000 2.487 322 V HA 0.423 4.543 4.120 -0.001 0.000 0.298 322 V C -0.510 175.539 176.094 -0.074 0.000 1.028 322 V CA -0.794 61.454 62.300 -0.086 0.000 0.860 322 V CB 1.574 33.358 31.823 -0.065 0.000 0.991 322 V HN 0.565 nan 8.190 nan 0.000 0.427 323 I N 3.620 124.151 120.570 -0.066 0.000 2.389 323 I HA 0.433 4.603 4.170 -0.001 0.000 0.288 323 I C 0.054 176.218 176.117 0.080 0.000 0.999 323 I CA -0.042 61.245 61.300 -0.021 0.000 1.129 323 I CB 1.824 39.833 38.000 0.015 0.000 1.288 323 I HN 0.518 nan 8.210 nan 0.000 0.444 324 T N 4.909 119.507 114.554 0.073 0.000 2.791 324 T HA 0.254 4.603 4.350 -0.001 0.000 0.288 324 T C -0.112 174.666 174.700 0.131 0.000 0.999 324 T CA -0.452 61.724 62.100 0.126 0.000 0.952 324 T CB 1.486 70.384 68.868 0.050 0.000 0.938 324 T HN 0.424 nan 8.240 nan 0.000 0.444 325 E N 2.284 122.585 120.200 0.168 0.000 2.081 325 E HA 0.326 4.675 4.350 -0.001 0.000 0.276 325 E C 1.011 177.601 176.600 -0.017 0.000 0.950 325 E CA -0.547 55.887 56.400 0.056 0.000 0.776 325 E CB 0.612 30.251 29.700 -0.101 0.000 1.094 325 E HN 0.640 nan 8.360 nan 0.000 0.402 326 T N 2.164 116.709 114.554 -0.015 0.000 3.040 326 T HA 0.141 4.491 4.350 -0.001 0.000 0.250 326 T C 1.290 175.925 174.700 -0.109 0.000 1.058 326 T CA -0.063 62.007 62.100 -0.050 0.000 0.988 326 T CB -0.009 68.838 68.868 -0.035 0.000 0.993 326 T HN 0.376 nan 8.240 nan 0.000 0.519 327 I N 0.113 120.591 120.570 -0.154 0.000 2.364 327 I HA 0.337 4.507 4.170 -0.001 0.000 0.241 327 I C 0.428 176.240 176.117 -0.509 0.000 1.082 327 I CA 0.334 61.411 61.300 -0.371 0.000 1.401 327 I CB -0.794 36.914 38.000 -0.488 0.000 1.126 327 I HN 0.212 nan 8.210 nan 0.000 0.429 328 F N 1.937 121.849 119.950 -0.063 0.000 2.469 328 F HA 0.219 4.746 4.527 -0.000 0.000 0.332 328 F C 1.596 177.317 175.800 -0.131 0.000 1.103 328 F CA -0.757 57.195 58.000 -0.081 0.000 0.979 328 F CB 1.245 40.203 39.000 -0.071 0.000 1.137 328 F HN 0.039 nan 8.300 nan 0.000 0.463 329 E N 1.035 121.287 120.200 0.086 0.000 2.482 329 E HA -0.136 4.214 4.350 -0.001 0.000 0.196 329 E C -0.259 176.301 176.600 -0.066 0.000 1.047 329 E CA 0.753 57.139 56.400 -0.023 0.000 0.869 329 E CB -0.066 29.631 29.700 -0.006 0.000 0.836 329 E HN 0.734 nan 8.360 nan 0.000 0.520 330 N N 0.434 119.108 118.700 -0.044 0.000 2.672 330 N HA 0.129 4.869 4.740 -0.001 0.000 0.295 330 N C -0.537 174.930 175.510 -0.072 0.000 1.924 330 N CA -0.185 52.825 53.050 -0.066 0.000 0.851 330 N CB 0.429 38.898 38.487 -0.031 0.000 1.281 330 N HN -0.066 nan 8.380 nan 0.000 0.494 331 R N 1.004 121.414 120.500 -0.150 0.000 2.865 331 R HA 0.249 4.589 4.340 -0.001 0.000 0.370 331 R C -0.510 175.895 176.300 0.175 0.000 1.168 331 R CA -0.142 55.943 56.100 -0.025 0.000 1.058 331 R CB 0.005 30.315 30.300 0.017 0.000 1.419 331 R HN 0.322 nan 8.270 nan 0.000 0.580 332 F N -0.431 119.578 119.950 0.097 0.000 2.772 332 F HA 0.146 4.672 4.527 -0.001 0.000 0.316 332 F C 1.389 177.070 175.800 -0.198 0.000 1.114 332 F CA -0.448 57.507 58.000 -0.075 0.000 1.191 332 F CB 0.669 39.618 39.000 -0.085 0.000 1.065 332 F HN 0.078 nan 8.300 nan 0.000 0.534 333 M N 0.257 119.952 119.600 0.158 0.000 2.267 333 M HA -0.215 4.265 4.480 -0.001 0.000 0.263 333 M C 2.401 178.725 176.300 0.040 0.000 1.063 333 M CA 1.459 56.801 55.300 0.071 0.000 1.090 333 M CB -0.632 32.001 32.600 0.055 0.000 1.392 333 M HN 0.303 nan 8.290 nan 0.000 0.422 334 H N -1.035 118.067 119.070 0.053 0.000 2.495 334 H HA 0.029 4.584 4.556 -0.001 0.000 0.287 334 H C 2.001 177.340 175.328 0.019 0.000 1.033 334 H CA 1.128 57.190 56.048 0.024 0.000 1.307 334 H CB -1.192 28.588 29.762 0.030 0.000 1.401 334 H HN 0.250 nan 8.280 nan 0.000 0.555 335 V N 2.368 121.999 119.914 -0.473 0.000 2.255 335 V HA -0.168 3.952 4.120 -0.001 0.000 0.247 335 V C -0.251 175.770 176.094 -0.121 0.000 1.051 335 V CA 2.164 64.279 62.300 -0.309 0.000 1.018 335 V CB -1.400 30.196 31.823 -0.379 0.000 0.641 335 V HN 0.405 nan 8.190 nan 0.000 0.445 336 P HA -0.114 nan 4.420 nan 0.000 0.218 336 P C 1.569 178.861 177.300 -0.014 0.000 1.148 336 P CA 1.162 64.242 63.100 -0.034 0.000 0.822 336 P CB -0.002 31.687 31.700 -0.019 0.000 0.784 337 E N -0.500 119.696 120.200 -0.007 0.000 2.072 337 E HA -0.051 4.299 4.350 -0.001 0.000 0.190 337 E C 2.134 178.742 176.600 0.014 0.000 0.982 337 E CA 0.892 57.298 56.400 0.011 0.000 0.803 337 E CB -0.936 28.777 29.700 0.023 0.000 0.755 337 E HN 0.312 nan 8.360 nan 0.000 0.453 338 L N 0.628 121.859 121.223 0.014 0.000 2.131 338 L HA -0.106 4.233 4.340 -0.001 0.000 0.210 338 L C 2.497 179.374 176.870 0.012 0.000 1.092 338 L CA 0.682 55.531 54.840 0.016 0.000 0.759 338 L CB -0.345 41.727 42.059 0.022 0.000 0.903 338 L HN 0.079 nan 8.230 nan 0.000 0.435 339 I N -0.508 120.067 120.570 0.009 0.000 2.361 339 I HA -0.274 3.896 4.170 -0.001 0.000 0.251 339 I C 2.616 178.753 176.117 0.033 0.000 1.133 339 I CA 1.098 62.416 61.300 0.029 0.000 1.413 339 I CB -0.251 37.760 38.000 0.018 0.000 1.073 339 I HN 0.207 nan 8.210 nan 0.000 0.424 340 R N 0.256 120.768 120.500 0.020 0.000 2.152 340 R HA -0.071 4.269 4.340 -0.001 0.000 0.232 340 R C 1.797 178.110 176.300 0.022 0.000 1.117 340 R CA 1.086 57.198 56.100 0.020 0.000 0.981 340 R CB -0.117 30.192 30.300 0.016 0.000 0.870 340 R HN 0.362 nan 8.270 nan 0.000 0.451 341 M N -0.779 118.833 119.600 0.019 0.000 2.505 341 M HA 0.153 4.632 4.480 -0.001 0.000 0.230 341 M C 0.699 177.006 176.300 0.011 0.000 1.153 341 M CA 0.418 55.726 55.300 0.013 0.000 0.997 341 M CB 1.231 33.835 32.600 0.007 0.000 1.606 341 M HN 0.418 nan 8.290 nan 0.000 0.481 342 G N 0.300 109.118 108.800 0.031 0.000 2.176 342 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.232 342 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.232 342 G C 0.235 175.143 174.900 0.013 0.000 0.986 342 G CA -0.068 45.057 45.100 0.042 0.000 0.643 342 G HN 0.656 nan 8.290 nan 0.000 0.522 343 A N 0.166 122.991 122.820 0.008 0.000 2.425 343 A HA 0.632 4.952 4.320 -0.001 0.000 0.242 343 A C 0.063 177.744 177.584 0.161 0.000 1.077 343 A CA 0.261 52.281 52.037 -0.028 0.000 0.781 343 A CB 0.155 19.147 19.000 -0.014 0.000 1.020 343 A HN 0.675 nan 8.150 nan 0.000 0.494 344 H N 0.144 119.229 119.070 0.026 0.000 2.638 344 H HA 0.595 5.150 4.556 -0.001 0.000 0.317 344 H C -0.085 175.289 175.328 0.076 0.000 1.006 344 H CA -0.069 56.015 56.048 0.059 0.000 1.222 344 H CB 1.488 31.304 29.762 0.090 0.000 1.419 344 H HN 0.919 nan 8.280 nan 0.000 0.489 345 A N 3.130 126.041 122.820 0.152 0.000 2.594 345 A HA 0.550 4.870 4.320 -0.001 0.000 0.295 345 A C -1.253 176.335 177.584 0.006 0.000 1.071 345 A CA -0.909 51.145 52.037 0.030 0.000 0.685 345 A CB 1.853 20.807 19.000 -0.076 0.000 1.285 345 A HN 0.650 nan 8.150 nan 0.000 0.405 346 E N 0.535 120.716 120.200 -0.033 0.000 2.234 346 E HA 0.621 4.971 4.350 -0.001 0.000 0.266 346 E C -1.150 175.398 176.600 -0.088 0.000 0.877 346 E CA -0.193 56.189 56.400 -0.030 0.000 0.758 346 E CB 2.120 31.834 29.700 0.024 0.000 1.170 346 E HN 0.542 nan 8.360 nan 0.000 0.415 347 I N 2.178 122.705 120.570 -0.072 0.000 2.359 347 I HA 0.307 4.477 4.170 -0.001 0.000 0.294 347 I C -0.282 175.840 176.117 0.010 0.000 0.987 347 I CA -0.573 60.688 61.300 -0.065 0.000 1.225 347 I CB 1.315 39.302 38.000 -0.021 0.000 1.366 347 I HN 0.360 nan 8.210 nan 0.000 0.466 348 E N 5.042 125.263 120.200 0.035 0.000 2.331 348 E HA 0.368 4.717 4.350 -0.001 0.000 0.243 348 E C -0.034 176.617 176.600 0.085 0.000 0.925 348 E CA 0.078 56.506 56.400 0.047 0.000 0.760 348 E CB 1.142 30.858 29.700 0.026 0.000 1.254 348 E HN 0.652 nan 8.360 nan 0.000 0.419 349 S N 3.820 119.573 115.700 0.088 0.000 4.114 349 S HA -0.313 4.157 4.470 -0.001 0.000 0.618 349 S C 0.688 175.384 174.600 0.160 0.000 1.937 349 S CA 1.761 60.015 58.200 0.090 0.000 4.228 349 S CB -1.163 62.073 63.200 0.059 0.000 0.216 349 S HN 0.741 nan 8.310 nan 0.000 0.528 350 N N 1.835 120.617 118.700 0.136 0.000 2.327 350 N HA 0.250 4.990 4.740 -0.001 0.000 0.231 350 N C -0.375 175.344 175.510 0.348 0.000 1.130 350 N CA 0.424 53.574 53.050 0.167 0.000 0.845 350 N CB 0.002 38.499 38.487 0.017 0.000 1.073 350 N HN 0.451 nan 8.380 nan 0.000 0.496 351 T N 0.104 114.856 114.554 0.329 0.000 2.876 351 T HA 0.442 4.791 4.350 -0.001 0.000 0.289 351 T C -0.735 173.974 174.700 0.016 0.000 1.014 351 T CA -0.492 61.730 62.100 0.203 0.000 0.986 351 T CB 2.512 71.427 68.868 0.078 0.000 1.021 351 T HN -0.123 nan 8.240 nan 0.000 0.458 352 V N 4.196 123.993 119.914 -0.194 0.000 2.409 352 V HA 0.477 4.597 4.120 -0.001 0.000 0.291 352 V C -0.249 175.707 176.094 -0.230 0.000 1.020 352 V CA -0.799 61.270 62.300 -0.385 0.000 0.848 352 V CB 1.384 32.771 31.823 -0.727 0.000 0.990 352 V HN 0.782 nan 8.190 nan 0.000 0.430 353 I N 4.408 124.859 120.570 -0.199 0.000 2.304 353 I HA 0.331 4.501 4.170 -0.001 0.000 0.291 353 I C -0.164 175.744 176.117 -0.348 0.000 1.018 353 I CA -0.032 61.130 61.300 -0.231 0.000 1.260 353 I CB 0.824 38.722 38.000 -0.169 0.000 1.390 353 I HN 0.528 nan 8.210 nan 0.000 0.475 354 C N 5.603 124.688 119.300 -0.358 0.000 2.341 354 C HA 0.418 4.877 4.460 -0.001 0.000 0.338 354 C C 0.110 174.844 174.990 -0.428 0.000 1.257 354 C CA -0.609 58.221 59.018 -0.313 0.000 1.883 354 C CB 0.082 27.727 27.740 -0.159 0.000 2.334 354 C HN 0.607 nan 8.230 nan 0.000 0.524 355 H N 1.565 120.641 119.070 0.009 0.000 2.736 355 H HA 0.288 4.844 4.556 -0.001 0.000 0.271 355 H C 0.626 175.944 175.328 -0.015 0.000 1.184 355 H CA 0.001 56.063 56.048 0.023 0.000 1.378 355 H CB 0.977 30.787 29.762 0.080 0.000 1.428 355 H HN 0.954 nan 8.280 nan 0.000 0.500 356 G N 1.848 110.671 108.800 0.037 0.000 2.474 356 G HA2 0.253 4.213 3.960 -0.001 0.000 0.233 356 G HA3 0.253 4.213 3.960 -0.001 0.000 0.233 356 G C 0.442 175.309 174.900 -0.056 0.000 1.278 356 G CA -0.070 45.018 45.100 -0.021 0.000 0.861 356 G HN 0.437 nan 8.290 nan 0.000 0.567 357 V N 0.063 119.908 119.914 -0.115 0.000 2.960 357 V HA 0.632 4.751 4.120 -0.001 0.000 0.315 357 V C 1.085 177.129 176.094 -0.084 0.000 1.087 357 V CA -0.525 61.688 62.300 -0.144 0.000 0.982 357 V CB 1.940 33.592 31.823 -0.285 0.000 1.039 357 V HN 0.749 nan 8.190 nan 0.000 0.437 358 E N 1.944 122.107 120.200 -0.061 0.000 2.021 358 E HA -0.084 4.266 4.350 -0.001 0.000 0.200 358 E C 0.403 176.979 176.600 -0.039 0.000 1.015 358 E CA 1.858 58.236 56.400 -0.038 0.000 0.824 358 E CB 0.150 29.835 29.700 -0.025 0.000 0.762 358 E HN 0.703 nan 8.360 nan 0.000 0.454 359 K N -0.377 119.997 120.400 -0.043 0.000 2.469 359 K HA 0.367 4.686 4.320 -0.001 0.000 0.254 359 K C -0.704 175.870 176.600 -0.043 0.000 0.939 359 K CA -0.642 55.623 56.287 -0.036 0.000 0.812 359 K CB 1.728 34.214 32.500 -0.023 0.000 1.301 359 K HN 0.090 nan 8.250 nan 0.000 0.433 360 L N 0.754 121.955 121.223 -0.036 0.000 2.416 360 L HA 0.430 4.769 4.340 -0.001 0.000 0.262 360 L C 0.194 177.055 176.870 -0.016 0.000 1.093 360 L CA -0.619 54.202 54.840 -0.031 0.000 0.801 360 L CB 1.330 43.373 42.059 -0.026 0.000 1.191 360 L HN 0.477 nan 8.230 nan 0.000 0.459 361 S N -0.147 115.548 115.700 -0.007 0.000 2.454 361 S HA 0.464 4.934 4.470 -0.001 0.000 0.306 361 S C 0.179 174.782 174.600 0.004 0.000 1.100 361 S CA -0.709 57.491 58.200 0.000 0.000 1.087 361 S CB 1.671 64.875 63.200 0.006 0.000 1.019 361 S HN 0.775 nan 8.310 nan 0.000 0.480 362 G N 1.539 110.341 108.800 0.004 0.000 2.484 362 G HA2 0.495 4.454 3.960 -0.001 0.000 0.235 362 G HA3 0.495 4.454 3.960 -0.001 0.000 0.235 362 G C -0.173 174.734 174.900 0.011 0.000 1.282 362 G CA 0.186 45.291 45.100 0.008 0.000 0.857 362 G HN 1.025 nan 8.290 nan 0.000 0.571 363 A N 1.636 124.465 122.820 0.014 0.000 2.564 363 A HA 0.679 4.999 4.320 -0.001 0.000 0.291 363 A C -0.663 176.933 177.584 0.020 0.000 1.102 363 A CA -0.770 51.276 52.037 0.016 0.000 0.660 363 A CB 0.866 19.875 19.000 0.015 0.000 1.283 363 A HN 0.658 nan 8.150 nan 0.000 0.430 364 Q N 0.277 120.089 119.800 0.020 0.000 2.274 364 Q HA 0.530 4.869 4.340 -0.001 0.000 0.256 364 Q C -0.223 175.790 176.000 0.020 0.000 0.927 364 Q CA -0.547 55.270 55.803 0.022 0.000 0.939 364 Q CB 1.615 30.366 28.738 0.022 0.000 1.201 364 Q HN 0.953 nan 8.270 nan 0.000 0.426 365 V N -0.512 119.415 119.914 0.021 0.000 3.141 365 V HA 0.696 4.816 4.120 -0.001 0.000 0.312 365 V C -0.860 175.242 176.094 0.014 0.000 1.157 365 V CA -1.284 61.026 62.300 0.017 0.000 1.041 365 V CB 2.334 34.168 31.823 0.017 0.000 1.071 365 V HN 0.837 nan 8.190 nan 0.000 0.441 366 M N 2.363 121.969 119.600 0.010 0.000 2.197 366 M HA 0.794 5.274 4.480 -0.001 0.000 0.301 366 M C -0.138 176.155 176.300 -0.012 0.000 0.987 366 M CA -0.607 54.697 55.300 0.007 0.000 0.921 366 M CB 1.465 34.075 32.600 0.018 0.000 1.569 366 M HN 1.256 nan 8.290 nan 0.000 0.431 367 A N 2.870 125.672 122.820 -0.030 0.000 2.462 367 A HA 0.437 4.756 4.320 -0.001 0.000 0.243 367 A C 0.848 178.353 177.584 -0.132 0.000 1.076 367 A CA 0.292 52.280 52.037 -0.082 0.000 0.773 367 A CB 0.009 18.955 19.000 -0.090 0.000 1.010 367 A HN 0.956 nan 8.150 nan 0.000 0.493 368 T N -1.691 112.700 114.554 -0.271 0.000 2.955 368 T HA 0.361 4.711 4.350 -0.001 0.000 0.251 368 T C -0.050 174.208 174.700 -0.737 0.000 1.002 368 T CA 0.636 62.532 62.100 -0.341 0.000 0.970 368 T CB -0.364 68.420 68.868 -0.139 0.000 1.091 368 T HN 0.873 nan 8.240 nan 0.000 0.495 369 D N -0.665 119.277 120.400 -0.763 0.000 2.653 369 D HA 0.406 5.045 4.640 -0.001 0.000 0.258 369 D C 0.685 176.761 176.300 -0.373 0.000 1.252 369 D CA -0.952 52.664 54.000 -0.640 0.000 0.777 369 D CB 0.815 41.434 40.800 -0.302 0.000 1.339 369 D HN -0.104 nan 8.370 nan 0.000 0.422 370 L N 0.764 121.886 121.223 -0.168 0.000 1.965 370 L HA -0.198 4.142 4.340 -0.001 0.000 0.226 370 L C 1.984 178.866 176.870 0.019 0.000 1.083 370 L CA 2.012 56.846 54.840 -0.009 0.000 0.790 370 L CB -0.670 41.415 42.059 0.044 0.000 0.898 370 L HN 0.529 nan 8.230 nan 0.000 0.439 371 R N -0.085 120.419 120.500 0.007 0.000 2.115 371 R HA 0.004 4.344 4.340 -0.001 0.000 0.230 371 R C 2.171 178.426 176.300 -0.074 0.000 1.111 371 R CA 1.255 57.366 56.100 0.018 0.000 0.976 371 R CB -1.510 28.796 30.300 0.010 0.000 0.870 371 R HN 0.611 nan 8.270 nan 0.000 0.445 372 A N 1.407 124.159 122.820 -0.112 0.000 1.873 372 A HA -0.182 4.138 4.320 -0.001 0.000 0.215 372 A C 2.386 179.913 177.584 -0.094 0.000 1.186 372 A CA 2.009 53.979 52.037 -0.111 0.000 0.616 372 A CB -0.639 18.332 19.000 -0.050 0.000 0.823 372 A HN 0.455 nan 8.150 nan 0.000 0.442 373 S N 0.373 115.999 115.700 -0.122 0.000 2.370 373 S HA -0.041 4.429 4.470 -0.001 0.000 0.226 373 S C 2.078 176.598 174.600 -0.134 0.000 1.033 373 S CA 1.518 59.644 58.200 -0.123 0.000 1.011 373 S CB -0.727 62.390 63.200 -0.138 0.000 0.852 373 S HN 0.958 nan 8.310 nan 0.000 0.457 374 A N 1.410 124.123 122.820 -0.178 0.000 1.969 374 A HA 0.059 4.379 4.320 -0.001 0.000 0.218 374 A C 2.429 179.900 177.584 -0.188 0.000 1.169 374 A CA 1.685 53.547 52.037 -0.292 0.000 0.635 374 A CB -1.024 17.692 19.000 -0.474 0.000 0.810 374 A HN 0.580 nan 8.150 nan 0.000 0.445 375 S N -0.143 115.481 115.700 -0.126 0.000 2.387 375 S HA 0.002 4.472 4.470 -0.001 0.000 0.226 375 S C 1.766 176.336 174.600 -0.051 0.000 1.026 375 S CA 1.100 59.247 58.200 -0.088 0.000 0.972 375 S CB -0.345 62.804 63.200 -0.086 0.000 0.814 375 S HN 0.526 nan 8.310 nan 0.000 0.477 376 L N 1.027 122.227 121.223 -0.038 0.000 2.093 376 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 376 L C 2.285 179.152 176.870 -0.006 0.000 1.085 376 L CA 0.788 55.622 54.840 -0.010 0.000 0.755 376 L CB -0.681 41.374 42.059 -0.006 0.000 0.904 376 L HN 0.209 nan 8.230 nan 0.000 0.435 377 V N 0.209 120.116 119.914 -0.012 0.000 2.307 377 V HA -0.281 3.839 4.120 -0.001 0.000 0.245 377 V C 2.442 178.526 176.094 -0.018 0.000 1.045 377 V CA 1.539 63.855 62.300 0.028 0.000 1.024 377 V CB -0.357 31.507 31.823 0.068 0.000 0.651 377 V HN 0.336 nan 8.190 nan 0.000 0.449 378 L N 0.115 121.302 121.223 -0.061 0.000 2.042 378 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 378 L C 2.771 179.616 176.870 -0.042 0.000 1.076 378 L CA 1.684 56.483 54.840 -0.067 0.000 0.749 378 L CB -0.895 41.106 42.059 -0.097 0.000 0.893 378 L HN 0.391 nan 8.230 nan 0.000 0.432 379 A N 0.425 123.226 122.820 -0.032 0.000 1.908 379 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 379 A C 2.407 179.984 177.584 -0.012 0.000 1.181 379 A CA 1.829 53.854 52.037 -0.020 0.000 0.627 379 A CB -1.248 17.747 19.000 -0.008 0.000 0.818 379 A HN 0.460 nan 8.150 nan 0.000 0.445 380 G N -0.944 107.853 108.800 -0.004 0.000 2.422 380 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 380 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 380 G C 1.544 176.440 174.900 -0.007 0.000 1.146 380 G CA 1.301 46.403 45.100 0.003 0.000 0.769 380 G HN 0.539 nan 8.290 nan 0.000 0.547 381 C N 0.817 120.109 119.300 -0.014 0.000 2.422 381 C HA 0.016 4.476 4.460 -0.001 0.000 0.279 381 C C 2.628 177.608 174.990 -0.016 0.000 1.305 381 C CA 0.891 59.899 59.018 -0.018 0.000 1.757 381 C CB -0.966 26.761 27.740 -0.021 0.000 1.962 381 C HN 0.662 nan 8.230 nan 0.000 0.499 382 I N -1.198 119.361 120.570 -0.018 0.000 3.968 382 I HA 0.374 4.544 4.170 -0.001 0.000 0.328 382 I C 1.112 177.219 176.117 -0.017 0.000 1.290 382 I CA -0.113 61.176 61.300 -0.018 0.000 1.163 382 I CB -0.427 37.559 38.000 -0.024 0.000 1.024 382 I HN 0.066 nan 8.210 nan 0.000 0.413 383 A N 1.716 124.528 122.820 -0.014 0.000 2.346 383 A HA 0.286 4.605 4.320 -0.001 0.000 0.252 383 A C -0.060 177.519 177.584 -0.008 0.000 1.089 383 A CA -0.142 51.889 52.037 -0.011 0.000 0.797 383 A CB 0.262 19.258 19.000 -0.007 0.000 1.047 383 A HN 0.384 nan 8.150 nan 0.000 0.494 384 E N -0.064 120.132 120.200 -0.007 0.000 2.105 384 E HA 0.480 4.829 4.350 -0.001 0.000 0.285 384 E C 0.666 177.265 176.600 -0.001 0.000 1.055 384 E CA 1.360 57.757 56.400 -0.004 0.000 0.843 384 E CB -0.160 29.537 29.700 -0.004 0.000 1.067 384 E HN 1.498 nan 8.360 nan 0.000 0.398 385 G N 3.081 111.880 108.800 -0.001 0.000 2.445 385 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.212 385 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.212 385 G C -0.500 174.402 174.900 0.003 0.000 1.217 385 G CA -0.379 44.722 45.100 0.001 0.000 1.002 385 G HN 0.564 nan 8.290 nan 0.000 0.574 386 T N 1.269 115.827 114.554 0.006 0.000 2.837 386 T HA 0.680 5.029 4.350 -0.001 0.000 0.285 386 T C -0.154 174.554 174.700 0.014 0.000 0.984 386 T CA 0.423 62.529 62.100 0.010 0.000 1.049 386 T CB 1.524 70.398 68.868 0.011 0.000 0.947 386 T HN 0.753 nan 8.240 nan 0.000 0.472 387 T N 2.416 116.981 114.554 0.020 0.000 2.861 387 T HA 0.536 4.886 4.350 -0.001 0.000 0.287 387 T C -0.687 174.038 174.700 0.042 0.000 1.003 387 T CA -0.539 61.577 62.100 0.027 0.000 0.977 387 T CB 1.360 70.243 68.868 0.024 0.000 0.996 387 T HN 0.335 nan 8.240 nan 0.000 0.448 388 V N 3.685 123.626 119.914 0.044 0.000 2.376 388 V HA 0.372 4.492 4.120 -0.001 0.000 0.287 388 V C -0.215 175.911 176.094 0.054 0.000 1.015 388 V CA -0.794 61.540 62.300 0.058 0.000 0.834 388 V CB 1.581 33.432 31.823 0.047 0.000 1.001 388 V HN 0.731 nan 8.190 nan 0.000 0.428 389 V N 3.933 123.892 119.914 0.073 0.000 2.334 389 V HA 0.282 4.402 4.120 -0.001 0.000 0.267 389 V C 0.099 176.194 176.094 0.002 0.000 1.040 389 V CA -0.338 61.982 62.300 0.034 0.000 0.866 389 V CB 1.329 33.171 31.823 0.032 0.000 1.019 389 V HN 0.889 nan 8.190 nan 0.000 0.468 390 D N 4.191 124.593 120.400 0.003 0.000 2.304 390 D HA 0.341 4.981 4.640 -0.001 0.000 0.247 390 D C 0.723 177.013 176.300 -0.017 0.000 1.089 390 D CA -0.154 53.849 54.000 0.004 0.000 0.910 390 D CB 0.474 41.289 40.800 0.026 0.000 1.199 390 D HN 0.507 nan 8.370 nan 0.000 0.426 391 R N 1.925 122.425 120.500 -0.000 0.000 3.332 391 R HA -0.173 4.166 4.340 -0.001 0.000 0.263 391 R C 0.722 176.883 176.300 -0.232 0.000 1.053 391 R CA 0.536 56.627 56.100 -0.015 0.000 0.705 391 R CB -2.197 28.116 30.300 0.020 0.000 1.166 391 R HN 0.476 nan 8.270 nan 0.000 0.427 392 I N -2.116 118.304 120.570 -0.251 0.000 3.550 392 I HA -0.085 4.084 4.170 -0.001 0.000 0.295 392 I C 1.906 177.813 176.117 -0.350 0.000 1.291 392 I CA 0.430 61.472 61.300 -0.430 0.000 1.298 392 I CB -0.943 36.497 38.000 -0.933 0.000 1.026 392 I HN 0.340 nan 8.210 nan 0.000 0.491 393 Y N -0.456 119.712 120.300 -0.219 0.000 2.333 393 Y HA -0.168 4.381 4.550 -0.001 0.000 0.290 393 Y C 2.328 178.140 175.900 -0.147 0.000 1.144 393 Y CA 1.240 59.229 58.100 -0.185 0.000 1.228 393 Y CB -1.480 36.860 38.460 -0.201 0.000 0.985 393 Y HN 0.194 nan 8.280 nan 0.000 0.542 394 H N 0.662 119.329 119.070 -0.671 0.000 2.352 394 H HA -0.180 4.376 4.556 -0.001 0.000 0.299 394 H C 2.328 177.568 175.328 -0.147 0.000 1.097 394 H CA 2.010 57.802 56.048 -0.427 0.000 1.311 394 H CB -0.334 29.147 29.762 -0.467 0.000 1.377 394 H HN 0.505 nan 8.280 nan 0.000 0.504 395 I N 1.108 121.660 120.570 -0.029 0.000 2.493 395 I HA -0.199 3.970 4.170 -0.001 0.000 0.254 395 I C 1.107 177.317 176.117 0.155 0.000 1.160 395 I CA 1.052 62.379 61.300 0.045 0.000 1.445 395 I CB 0.013 37.946 38.000 -0.110 0.000 1.086 395 I HN 0.093 nan 8.210 nan 0.000 0.433 396 D N 0.511 120.965 120.400 0.090 0.000 2.363 396 D HA -0.072 4.567 4.640 -0.001 0.000 0.220 396 D C 1.976 178.351 176.300 0.125 0.000 0.994 396 D CA 0.335 54.410 54.000 0.126 0.000 0.890 396 D CB -0.026 40.834 40.800 0.100 0.000 0.906 396 D HN 0.309 nan 8.370 nan 0.000 0.530 397 R N 0.068 120.642 120.500 0.123 0.000 2.119 397 R HA 0.043 4.382 4.340 -0.001 0.000 0.222 397 R C 1.823 178.166 176.300 0.072 0.000 1.088 397 R CA 0.845 57.004 56.100 0.099 0.000 0.984 397 R CB -0.239 30.121 30.300 0.100 0.000 0.884 397 R HN 0.172 nan 8.270 nan 0.000 0.447 398 G N -1.356 107.496 108.800 0.086 0.000 3.651 398 G HA2 0.162 4.122 3.960 -0.001 0.000 0.267 398 G HA3 0.162 4.122 3.960 -0.001 0.000 0.267 398 G C -0.637 174.098 174.900 -0.275 0.000 1.009 398 G CA -0.127 44.922 45.100 -0.085 0.000 0.866 398 G HN 0.063 nan 8.290 nan 0.000 0.488 399 Y N 0.246 120.585 120.300 0.064 0.000 2.373 399 Y HA 0.417 4.966 4.550 -0.001 0.000 0.336 399 Y C -0.149 175.816 175.900 0.107 0.000 0.979 399 Y CA -1.283 56.873 58.100 0.093 0.000 1.080 399 Y CB 1.925 40.440 38.460 0.091 0.000 1.190 399 Y HN 0.030 nan 8.280 nan 0.000 0.446 400 E N 5.683 126.023 120.200 0.233 0.000 2.104 400 E HA 0.143 4.492 4.350 -0.001 0.000 0.278 400 E C -0.198 176.521 176.600 0.198 0.000 1.127 400 E CA -0.485 56.019 56.400 0.172 0.000 0.897 400 E CB 0.315 30.085 29.700 0.117 0.000 1.043 400 E HN 0.681 nan 8.360 nan 0.000 0.410 401 R N 3.923 124.533 120.500 0.185 0.000 2.788 401 R HA -0.229 4.111 4.340 -0.001 0.000 0.258 401 R C 0.106 176.526 176.300 0.201 0.000 0.895 401 R CA 0.519 56.724 56.100 0.175 0.000 0.702 401 R CB -2.103 28.269 30.300 0.119 0.000 1.661 401 R HN 0.790 nan 8.270 nan 0.000 0.520 402 I N 1.246 121.966 120.570 0.250 0.000 2.546 402 I HA -0.231 3.939 4.170 -0.001 0.000 0.255 402 I C 2.394 178.601 176.117 0.151 0.000 1.163 402 I CA 1.476 62.928 61.300 0.253 0.000 1.457 402 I CB 0.044 38.143 38.000 0.165 0.000 1.092 402 I HN 0.665 nan 8.210 nan 0.000 0.434 403 E N 0.610 120.847 120.200 0.061 0.000 2.077 403 E HA -0.280 4.069 4.350 -0.001 0.000 0.193 403 E C 1.316 177.885 176.600 -0.051 0.000 0.989 403 E CA 1.567 57.882 56.400 -0.142 0.000 0.800 403 E CB -0.708 28.779 29.700 -0.355 0.000 0.746 403 E HN 0.475 nan 8.360 nan 0.000 0.452 404 D N 1.711 122.116 120.400 0.007 0.000 2.097 404 D HA -0.104 4.535 4.640 -0.001 0.000 0.195 404 D C 1.960 178.273 176.300 0.023 0.000 0.989 404 D CA 1.418 55.424 54.000 0.010 0.000 0.827 404 D CB -0.206 40.609 40.800 0.025 0.000 0.966 404 D HN 0.267 nan 8.370 nan 0.000 0.456 405 K N 0.130 120.569 120.400 0.066 0.000 2.097 405 K HA -0.036 4.283 4.320 -0.001 0.000 0.206 405 K C 2.293 178.949 176.600 0.093 0.000 1.049 405 K CA 0.530 56.842 56.287 0.041 0.000 0.933 405 K CB -0.110 32.419 32.500 0.048 0.000 0.717 405 K HN 0.168 nan 8.250 nan 0.000 0.442 406 L N 0.387 121.708 121.223 0.162 0.000 2.109 406 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 406 L C 2.701 179.594 176.870 0.038 0.000 1.086 406 L CA 0.873 55.795 54.840 0.136 0.000 0.760 406 L CB -0.268 41.836 42.059 0.076 0.000 0.910 406 L HN 0.155 nan 8.230 nan 0.000 0.437 407 R N 0.436 120.935 120.500 -0.002 0.000 2.096 407 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 407 R C 2.175 178.467 176.300 -0.014 0.000 1.127 407 R CA 1.322 57.408 56.100 -0.023 0.000 0.968 407 R CB -0.179 30.096 30.300 -0.041 0.000 0.861 407 R HN 0.322 nan 8.270 nan 0.000 0.440 408 A N 0.304 123.118 122.820 -0.011 0.000 2.172 408 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 408 A C 1.732 179.305 177.584 -0.017 0.000 1.154 408 A CA 0.760 52.785 52.037 -0.020 0.000 0.701 408 A CB -0.125 18.854 19.000 -0.034 0.000 0.789 408 A HN 0.342 nan 8.150 nan 0.000 0.465 409 L N -1.861 119.362 121.223 0.000 0.000 2.640 409 L HA 0.286 4.626 4.340 -0.001 0.000 0.230 409 L C 1.478 178.353 176.870 0.008 0.000 1.123 409 L CA 0.559 55.405 54.840 0.011 0.000 0.900 409 L CB 0.245 42.335 42.059 0.051 0.000 1.146 409 L HN 0.518 nan 8.230 nan 0.000 0.484 410 G N 0.055 108.854 108.800 -0.001 0.000 2.148 410 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.203 410 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.203 410 G C 0.289 175.183 174.900 -0.010 0.000 0.993 410 G CA -0.138 44.958 45.100 -0.006 0.000 0.661 410 G HN 0.401 nan 8.290 nan 0.000 0.518 411 A N -0.030 122.783 122.820 -0.011 0.000 2.340 411 A HA 0.643 4.963 4.320 -0.001 0.000 0.268 411 A C 0.444 178.005 177.584 -0.040 0.000 1.100 411 A CA -0.026 51.997 52.037 -0.024 0.000 0.803 411 A CB 0.506 19.490 19.000 -0.027 0.000 1.043 411 A HN 0.479 nan 8.150 nan 0.000 0.488 412 N N 1.847 120.521 118.700 -0.042 0.000 2.678 412 N HA 0.365 5.104 4.740 -0.001 0.000 0.231 412 N C -1.352 174.116 175.510 -0.070 0.000 1.038 412 N CA -0.020 53.002 53.050 -0.047 0.000 0.932 412 N CB 0.239 38.708 38.487 -0.031 0.000 1.176 412 N HN 0.655 nan 8.380 nan 0.000 0.511 413 I N 1.195 121.700 120.570 -0.110 0.000 2.647 413 I HA 0.440 4.610 4.170 -0.001 0.000 0.295 413 I C -1.336 174.653 176.117 -0.213 0.000 1.078 413 I CA -0.521 60.668 61.300 -0.185 0.000 1.048 413 I CB 1.715 39.541 38.000 -0.290 0.000 1.239 413 I HN 0.157 nan 8.210 nan 0.000 0.421 414 E N 6.245 126.321 120.200 -0.205 0.000 2.308 414 E HA 0.307 4.657 4.350 -0.001 0.000 0.275 414 E C -1.382 175.178 176.600 -0.066 0.000 0.890 414 E CA -0.797 55.521 56.400 -0.137 0.000 0.754 414 E CB 2.594 32.265 29.700 -0.049 0.000 1.207 414 E HN 0.558 nan 8.360 nan 0.000 0.426 415 R N 2.081 122.587 120.500 0.010 0.000 2.202 415 R HA 0.387 4.726 4.340 -0.001 0.000 0.334 415 R C -0.119 176.275 176.300 0.155 0.000 1.036 415 R CA -0.369 55.884 56.100 0.255 0.000 0.878 415 R CB 0.372 30.877 30.300 0.341 0.000 1.067 415 R HN 0.368 nan 8.270 nan 0.000 0.457 416 V N 1.611 121.618 119.914 0.155 0.000 2.919 416 V HA 0.547 4.666 4.120 -0.001 0.000 0.316 416 V C -0.010 176.134 176.094 0.084 0.000 1.077 416 V CA -0.958 61.398 62.300 0.093 0.000 0.977 416 V CB 2.072 33.939 31.823 0.073 0.000 1.039 416 V HN 0.648 nan 8.190 nan 0.000 0.441 417 K N 1.965 122.400 120.400 0.058 0.000 3.502 417 K HA 0.440 4.760 4.320 -0.001 0.000 0.163 417 K C 1.553 178.176 176.600 0.039 0.000 1.142 417 K CA 0.650 56.965 56.287 0.045 0.000 1.539 417 K CB -1.045 31.475 32.500 0.034 0.000 2.125 417 K HN 1.846 nan 8.250 nan 0.000 0.491 418 G N 2.697 111.514 108.800 0.029 0.000 2.168 418 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.257 418 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.257 418 G C 0.039 174.953 174.900 0.023 0.000 0.997 418 G CA 1.477 46.592 45.100 0.025 0.000 0.708 418 G HN 0.628 nan 8.290 nan 0.000 0.520 419 E N 0.000 120.213 120.200 0.021 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 419 E CA 0.000 56.410 56.400 0.017 0.000 0.976 419 E CB 0.000 29.706 29.700 0.009 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440