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 3e0v_1_E DATA FIRST_RESID -2 DATA SEQUENCE SHMSQLAHNL TLSIFDPVAN YRAARIICTI GPSTQSVEAL KGLIQSGMSV DATA SEQUENCE ARMNFSHGSH EYHQTTINNV RQAAAELGVN IAIALDTKGP EIRTGQFVGG DATA SEQUENCE DAVMERGATC YVTTDPAFAD KGTKDKFYID YQNLSKVVRP GNYIYIDDGI DATA SEQUENCE LILQVQSHED EQTLECTVTN SHTISDRRGV NLPGCDVDLP AVSAKDRVDL DATA SEQUENCE QFGVEQGVDM IFASFIRSAE QVGDVRKALG PKGRDIMIIC KIENHQGVQN DATA SEQUENCE IDSIIEESDG IMVARGDLGV EIPAEKVVVA QKILISKCNV AGKPVICATQ DATA SEQUENCE MLESMTYNPR PTRAEVSDVA NAVFNGADCV MLSGETAKGK YPNEVVQYMA DATA SEQUENCE RICLEAQSAL NEYVFFNSIK KLQHIPMSAD EAVCSSAVNS VYETKAKAMV DATA SEQUENCE VLSNTGRSAR LVAKYRPNCP IVCVTTRLQT CRQLNITQGV ESVFFDADKL DATA SEQUENCE GHDWGKEHRV AAGVEFAKSK GYVQTGDYCV VIHADXXXXX XANQTRILLV DATA SEQUENCE E 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.657 174.600 0.094 0.000 1.055 -2 S CA 0.000 58.240 58.200 0.067 0.000 1.107 -2 S CB 0.000 63.227 63.200 0.045 0.000 0.593 -1 H N 4.349 123.437 119.070 0.029 0.000 2.786 -1 H HA 0.411 4.967 4.556 -0.000 0.000 0.284 -1 H C 0.257 175.623 175.328 0.062 0.000 1.104 -1 H CA -0.510 55.564 56.048 0.044 0.000 1.339 -1 H CB 0.618 30.397 29.762 0.028 0.000 1.427 -1 H HN 0.730 nan 8.280 nan 0.000 0.497 0 M N 1.456 121.078 119.600 0.037 0.000 2.724 0 M HA 0.270 4.750 4.480 -0.000 0.000 0.231 0 M C -0.115 176.227 176.300 0.071 0.000 1.568 0 M CA 0.004 55.362 55.300 0.098 0.000 1.153 0 M CB 0.046 32.678 32.600 0.054 0.000 1.345 0 M HN 0.212 nan 8.290 nan 0.000 0.555 1 S N 0.219 115.908 115.700 -0.019 0.000 2.632 1 S HA 0.404 4.874 4.470 -0.000 0.000 0.289 1 S C 0.291 174.882 174.600 -0.016 0.000 1.115 1 S CA -0.356 57.842 58.200 -0.003 0.000 0.889 1 S CB 2.209 65.403 63.200 -0.010 0.000 1.116 1 S HN 0.384 nan 8.310 nan 0.000 0.486 2 Q N 1.025 120.846 119.800 0.036 0.000 2.268 2 Q HA -0.148 4.192 4.340 -0.000 0.000 0.210 2 Q C 1.584 177.611 176.000 0.045 0.000 0.988 2 Q CA 1.935 57.786 55.803 0.080 0.000 0.883 2 Q CB -0.378 28.408 28.738 0.080 0.000 0.911 2 Q HN 0.683 nan 8.270 nan 0.000 0.430 3 L N -0.430 120.788 121.223 -0.009 0.000 1.988 3 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 3 L C 2.183 179.022 176.870 -0.051 0.000 1.071 3 L CA 2.014 56.834 54.840 -0.032 0.000 0.744 3 L CB -0.904 41.133 42.059 -0.036 0.000 0.893 3 L HN 0.280 nan 8.230 nan 0.000 0.433 4 A N -1.454 121.311 122.820 -0.091 0.000 1.986 4 A HA -0.350 3.970 4.320 -0.000 0.000 0.220 4 A C 2.210 179.709 177.584 -0.141 0.000 1.171 4 A CA 2.153 54.104 52.037 -0.143 0.000 0.640 4 A CB -1.072 17.785 19.000 -0.239 0.000 0.811 4 A HN 0.746 nan 8.150 nan 0.000 0.451 5 H N 0.090 119.017 119.070 -0.238 0.000 2.363 5 H HA -0.036 4.520 4.556 -0.000 0.000 0.301 5 H C 1.845 177.192 175.328 0.032 0.000 1.074 5 H CA 1.799 57.831 56.048 -0.028 0.000 1.354 5 H CB -0.245 29.562 29.762 0.075 0.000 1.397 5 H HN 0.400 nan 8.280 nan 0.000 0.516 6 N N 0.213 118.839 118.700 -0.123 0.000 2.258 6 N HA -0.122 4.618 4.740 -0.000 0.000 0.187 6 N C 1.728 177.145 175.510 -0.156 0.000 1.012 6 N CA 1.178 54.123 53.050 -0.175 0.000 0.870 6 N CB -0.245 38.184 38.487 -0.096 0.000 0.977 6 N HN 0.435 nan 8.380 nan 0.000 0.434 7 L N -0.339 120.821 121.223 -0.105 0.000 2.291 7 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 7 L C 1.751 178.583 176.870 -0.064 0.000 1.120 7 L CA 1.168 55.967 54.840 -0.069 0.000 0.799 7 L CB -0.554 41.482 42.059 -0.038 0.000 0.925 7 L HN 0.280 nan 8.230 nan 0.000 0.446 8 T N -3.121 111.384 114.554 -0.082 0.000 3.037 8 T HA 0.208 4.558 4.350 -0.000 0.000 0.252 8 T C 0.856 175.502 174.700 -0.090 0.000 1.073 8 T CA -0.327 61.742 62.100 -0.052 0.000 1.091 8 T CB -0.148 68.729 68.868 0.016 0.000 0.935 8 T HN -0.007 nan 8.240 nan 0.000 0.488 9 L N 2.485 123.599 121.223 -0.181 0.000 2.543 9 L HA 0.244 4.584 4.340 -0.000 0.000 0.285 9 L C 0.502 177.302 176.870 -0.116 0.000 1.236 9 L CA 0.054 54.799 54.840 -0.159 0.000 0.871 9 L CB 0.414 42.353 42.059 -0.200 0.000 1.121 9 L HN 0.236 nan 8.230 nan 0.000 0.501 10 S N 2.151 117.793 115.700 -0.098 0.000 2.547 10 S HA 0.452 4.922 4.470 -0.000 0.000 0.281 10 S C 0.567 175.051 174.600 -0.193 0.000 1.118 10 S CA -0.901 57.207 58.200 -0.154 0.000 0.947 10 S CB 1.357 64.510 63.200 -0.079 0.000 1.053 10 S HN 0.507 nan 8.310 nan 0.000 0.482 11 I N 1.108 121.429 120.570 -0.415 0.000 3.444 11 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 11 I C 0.351 176.322 176.117 -0.243 0.000 1.302 11 I CA 0.746 61.819 61.300 -0.379 0.000 1.368 11 I CB -0.400 37.302 38.000 -0.498 0.000 1.048 11 I HN 0.403 nan 8.210 nan 0.000 0.487 12 F N 0.660 120.619 119.950 0.014 0.000 2.717 12 F HA 0.256 4.783 4.527 -0.000 0.000 0.295 12 F C 0.653 176.462 175.800 0.014 0.000 1.117 12 F CA -1.116 56.892 58.000 0.012 0.000 1.361 12 F CB -0.619 38.387 39.000 0.009 0.000 1.112 12 F HN -0.021 nan 8.300 nan 0.000 0.594 13 D N 3.294 123.781 120.400 0.145 0.000 2.450 13 D HA 0.096 4.736 4.640 -0.000 0.000 0.247 13 D C -2.061 174.291 176.300 0.086 0.000 1.162 13 D CA -0.947 53.110 54.000 0.096 0.000 0.879 13 D CB 0.181 41.018 40.800 0.061 0.000 1.163 13 D HN -0.003 nan 8.370 nan 0.000 0.472 14 P HA -0.067 nan 4.420 nan 0.000 0.264 14 P C -0.322 177.014 177.300 0.060 0.000 1.179 14 P CA -0.104 63.035 63.100 0.066 0.000 0.763 14 P CB 0.459 32.192 31.700 0.055 0.000 0.806 15 V N 3.040 122.986 119.914 0.053 0.000 2.390 15 V HA 0.157 4.277 4.120 -0.000 0.000 0.260 15 V C 0.997 177.123 176.094 0.054 0.000 1.043 15 V CA -0.516 61.810 62.300 0.044 0.000 1.047 15 V CB -0.722 31.117 31.823 0.027 0.000 1.066 15 V HN 0.787 nan 8.190 nan 0.000 0.481 16 A N 4.714 127.574 122.820 0.067 0.000 2.600 16 A HA -0.124 4.196 4.320 -0.000 0.000 0.253 16 A C 0.666 178.321 177.584 0.118 0.000 0.997 16 A CA 0.470 52.569 52.037 0.103 0.000 0.820 16 A CB -0.497 18.570 19.000 0.112 0.000 0.888 16 A HN 0.860 nan 8.150 nan 0.000 0.508 17 N N 2.259 121.067 118.700 0.179 0.000 2.767 17 N HA 0.510 5.250 4.740 -0.000 0.000 0.238 17 N C -1.163 174.589 175.510 0.403 0.000 1.083 17 N CA 0.060 53.233 53.050 0.204 0.000 0.964 17 N CB -0.133 38.440 38.487 0.144 0.000 1.252 17 N HN 0.606 nan 8.380 nan 0.000 0.512 18 Y N -0.441 119.917 120.300 0.097 0.000 2.393 18 Y HA 0.302 4.852 4.550 -0.000 0.000 0.320 18 Y C -1.238 174.687 175.900 0.043 0.000 1.241 18 Y CA -1.312 56.853 58.100 0.109 0.000 1.122 18 Y CB 0.652 39.157 38.460 0.076 0.000 1.322 18 Y HN 0.121 nan 8.280 nan 0.000 0.441 19 R N 3.158 123.602 120.500 -0.093 0.000 2.254 19 R HA 0.767 5.107 4.340 -0.000 0.000 0.318 19 R C 0.049 176.236 176.300 -0.189 0.000 1.031 19 R CA 0.463 56.443 56.100 -0.200 0.000 0.905 19 R CB 1.542 31.801 30.300 -0.069 0.000 1.050 19 R HN 1.004 nan 8.270 nan 0.000 0.456 20 A N 4.513 127.146 122.820 -0.311 0.000 1.911 20 A HA 0.219 4.539 4.320 -0.000 0.000 0.212 20 A C 0.912 178.455 177.584 -0.069 0.000 1.189 20 A CA 0.703 52.649 52.037 -0.151 0.000 0.639 20 A CB -0.268 18.617 19.000 -0.191 0.000 0.839 20 A HN 0.819 nan 8.150 nan 0.000 0.449 21 A N 0.588 123.346 122.820 -0.104 0.000 2.520 21 A HA 0.443 4.763 4.320 -0.000 0.000 0.235 21 A C 0.250 177.820 177.584 -0.024 0.000 1.065 21 A CA 0.035 52.031 52.037 -0.068 0.000 0.764 21 A CB 0.093 19.038 19.000 -0.093 0.000 1.002 21 A HN 0.386 nan 8.150 nan 0.000 0.502 22 R N 0.762 121.259 120.500 -0.005 0.000 2.514 22 R HA 0.559 4.899 4.340 -0.000 0.000 0.301 22 R C -0.996 175.317 176.300 0.023 0.000 0.962 22 R CA -0.434 55.678 56.100 0.020 0.000 0.882 22 R CB 1.303 31.624 30.300 0.035 0.000 1.143 22 R HN 0.693 nan 8.270 nan 0.000 0.452 23 I N 3.815 124.405 120.570 0.034 0.000 2.412 23 I HA 0.445 4.615 4.170 -0.000 0.000 0.296 23 I C 0.203 176.355 176.117 0.059 0.000 0.987 23 I CA -0.617 60.706 61.300 0.039 0.000 1.180 23 I CB 1.379 39.401 38.000 0.037 0.000 1.340 23 I HN 0.307 nan 8.210 nan 0.000 0.455 24 I N 5.165 125.776 120.570 0.069 0.000 2.406 24 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 24 I C -0.777 175.394 176.117 0.091 0.000 0.999 24 I CA -0.472 60.888 61.300 0.098 0.000 1.124 24 I CB 1.606 39.695 38.000 0.149 0.000 1.289 24 I HN 0.542 nan 8.210 nan 0.000 0.441 25 C N 3.371 122.724 119.300 0.088 0.000 2.382 25 C HA 0.467 4.927 4.460 -0.000 0.000 0.327 25 C C 0.704 175.752 174.990 0.097 0.000 1.250 25 C CA -0.660 58.407 59.018 0.081 0.000 1.707 25 C CB 0.999 28.778 27.740 0.066 0.000 2.272 25 C HN 0.667 nan 8.230 nan 0.000 0.506 26 T N 4.791 119.405 114.554 0.101 0.000 2.761 26 T HA 0.261 4.611 4.350 -0.000 0.000 0.296 26 T C 0.484 175.251 174.700 0.112 0.000 0.934 26 T CA 0.041 62.213 62.100 0.119 0.000 1.091 26 T CB -0.084 68.855 68.868 0.117 0.000 0.896 26 T HN 0.368 nan 8.240 nan 0.000 0.515 27 I N 3.113 123.764 120.570 0.136 0.000 2.581 27 I HA 0.566 4.736 4.170 -0.000 0.000 0.288 27 I C 1.062 177.285 176.117 0.176 0.000 1.047 27 I CA 0.140 61.522 61.300 0.137 0.000 1.374 27 I CB 0.805 38.889 38.000 0.140 0.000 1.423 27 I HN 0.785 nan 8.210 nan 0.000 0.549 28 G N 5.365 114.257 108.800 0.154 0.000 2.650 28 G HA2 0.408 4.368 3.960 -0.000 0.000 0.310 28 G HA3 0.408 4.368 3.960 -0.000 0.000 0.310 28 G C -2.618 172.382 174.900 0.167 0.000 1.270 28 G CA -0.310 44.899 45.100 0.182 0.000 0.810 28 G HN 0.260 nan 8.290 nan 0.000 0.493 29 P HA -0.104 nan 4.420 nan 0.000 0.217 29 P C 1.897 179.235 177.300 0.062 0.000 1.151 29 P CA 2.506 65.675 63.100 0.115 0.000 0.849 29 P CB 0.095 31.834 31.700 0.066 0.000 0.787 30 S N -2.921 112.804 115.700 0.042 0.000 2.575 30 S HA 0.074 4.544 4.470 -0.000 0.000 0.215 30 S C 0.831 175.440 174.600 0.016 0.000 0.966 30 S CA 0.718 58.927 58.200 0.016 0.000 0.911 30 S CB -1.083 62.114 63.200 -0.004 0.000 0.780 30 S HN 0.227 nan 8.310 nan 0.000 0.514 31 T N -2.430 112.143 114.554 0.031 0.000 3.641 31 T HA 0.338 4.688 4.350 -0.000 0.000 0.313 31 T C 0.640 175.355 174.700 0.025 0.000 0.952 31 T CA -0.463 61.653 62.100 0.027 0.000 1.004 31 T CB 0.012 68.901 68.868 0.035 0.000 1.209 31 T HN 0.255 nan 8.240 nan 0.000 0.493 32 Q N 1.833 121.639 119.800 0.011 0.000 2.376 32 Q HA 0.150 4.490 4.340 -0.000 0.000 0.206 32 Q C 0.853 176.827 176.000 -0.043 0.000 0.921 32 Q CA 0.257 56.042 55.803 -0.031 0.000 0.911 32 Q CB 0.322 29.000 28.738 -0.101 0.000 1.032 32 Q HN 0.691 nan 8.270 nan 0.000 0.510 33 S N -0.561 115.124 115.700 -0.026 0.000 2.565 33 S HA 0.079 4.549 4.470 -0.000 0.000 0.276 33 S C 1.490 176.082 174.600 -0.014 0.000 1.326 33 S CA -0.139 58.046 58.200 -0.024 0.000 1.045 33 S CB 1.404 64.594 63.200 -0.017 0.000 0.918 33 S HN 0.188 nan 8.310 nan 0.000 0.505 34 V N 0.558 120.463 119.914 -0.015 0.000 2.250 34 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 34 V C 2.391 178.483 176.094 -0.003 0.000 1.060 34 V CA 2.240 64.535 62.300 -0.008 0.000 1.030 34 V CB -1.681 30.137 31.823 -0.010 0.000 0.643 34 V HN 1.039 nan 8.190 nan 0.000 0.445 35 E N 1.078 121.276 120.200 -0.003 0.000 2.086 35 E HA -0.287 4.063 4.350 -0.000 0.000 0.200 35 E C 2.137 178.739 176.600 0.004 0.000 1.012 35 E CA 2.022 58.422 56.400 0.000 0.000 0.812 35 E CB -0.371 29.328 29.700 -0.002 0.000 0.743 35 E HN 0.733 nan 8.360 nan 0.000 0.453 36 A N 0.187 123.009 122.820 0.003 0.000 2.021 36 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 36 A C 2.106 179.699 177.584 0.014 0.000 1.163 36 A CA 0.359 52.400 52.037 0.008 0.000 0.676 36 A CB -0.279 18.724 19.000 0.005 0.000 0.818 36 A HN 0.260 nan 8.150 nan 0.000 0.453 37 L N -0.404 120.826 121.223 0.011 0.000 2.056 37 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 37 L C 2.517 179.398 176.870 0.018 0.000 1.078 37 L CA 1.433 56.282 54.840 0.016 0.000 0.749 37 L CB -0.322 41.744 42.059 0.012 0.000 0.901 37 L HN 0.310 nan 8.230 nan 0.000 0.433 38 K N -0.216 120.192 120.400 0.014 0.000 2.103 38 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 38 K C 2.055 178.667 176.600 0.019 0.000 1.048 38 K CA 1.293 57.589 56.287 0.015 0.000 0.930 38 K CB -0.438 32.068 32.500 0.011 0.000 0.716 38 K HN 0.447 nan 8.250 nan 0.000 0.444 39 G N 1.529 110.341 108.800 0.019 0.000 2.433 39 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 39 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 39 G C 1.408 176.326 174.900 0.030 0.000 1.186 39 G CA 0.423 45.537 45.100 0.024 0.000 0.779 39 G HN 0.059 nan 8.290 nan 0.000 0.543 40 L N 0.865 122.107 121.223 0.031 0.000 2.013 40 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 40 L C 2.902 179.794 176.870 0.037 0.000 1.073 40 L CA 1.274 56.136 54.840 0.037 0.000 0.753 40 L CB -0.628 41.454 42.059 0.037 0.000 0.890 40 L HN 0.273 nan 8.230 nan 0.000 0.432 41 I N -1.541 119.049 120.570 0.033 0.000 2.142 41 I HA -0.356 3.814 4.170 -0.000 0.000 0.240 41 I C 2.489 178.627 176.117 0.036 0.000 1.078 41 I CA 1.369 62.690 61.300 0.035 0.000 1.343 41 I CB -0.352 37.666 38.000 0.030 0.000 1.046 41 I HN 0.314 nan 8.210 nan 0.000 0.405 42 Q N 0.263 120.082 119.800 0.032 0.000 2.291 42 Q HA -0.145 4.195 4.340 -0.000 0.000 0.206 42 Q C 2.222 178.241 176.000 0.031 0.000 0.976 42 Q CA 1.330 57.151 55.803 0.030 0.000 0.875 42 Q CB 0.119 28.872 28.738 0.025 0.000 0.927 42 Q HN 0.343 nan 8.270 nan 0.000 0.450 43 S N -1.952 113.768 115.700 0.034 0.000 2.436 43 S HA 0.109 4.579 4.470 -0.000 0.000 0.228 43 S C 1.057 175.679 174.600 0.038 0.000 1.014 43 S CA 0.896 59.118 58.200 0.037 0.000 0.950 43 S CB 0.526 63.752 63.200 0.044 0.000 0.784 43 S HN 0.640 nan 8.310 nan 0.000 0.504 44 G N 0.465 109.289 108.800 0.040 0.000 3.288 44 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.219 44 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.219 44 G C 0.044 174.971 174.900 0.046 0.000 0.944 44 G CA -0.339 44.786 45.100 0.042 0.000 0.854 44 G HN 0.342 nan 8.290 nan 0.000 0.632 45 M N 1.716 121.344 119.600 0.046 0.000 2.245 45 M HA 0.481 4.961 4.480 -0.000 0.000 0.344 45 M C 0.870 177.200 176.300 0.050 0.000 1.170 45 M CA 0.972 56.302 55.300 0.049 0.000 1.135 45 M CB 1.005 33.634 32.600 0.048 0.000 1.574 45 M HN 0.005 nan 8.290 nan 0.000 0.452 46 S N 3.053 118.786 115.700 0.054 0.000 2.554 46 S HA 0.250 4.720 4.470 -0.000 0.000 0.227 46 S C -0.104 174.526 174.600 0.051 0.000 1.050 46 S CA -0.414 57.818 58.200 0.054 0.000 0.927 46 S CB 0.695 63.930 63.200 0.058 0.000 0.859 46 S HN 0.619 nan 8.310 nan 0.000 0.494 47 V N 1.997 121.947 119.914 0.060 0.000 2.577 47 V HA 0.785 4.905 4.120 -0.000 0.000 0.303 47 V C -0.708 175.423 176.094 0.061 0.000 1.042 47 V CA -0.980 61.357 62.300 0.062 0.000 0.872 47 V CB 1.459 33.342 31.823 0.100 0.000 0.998 47 V HN 0.345 nan 8.190 nan 0.000 0.423 48 A N 5.048 127.891 122.820 0.039 0.000 2.292 48 A HA 0.797 5.117 4.320 -0.000 0.000 0.319 48 A C -0.101 177.496 177.584 0.023 0.000 1.206 48 A CA -0.621 51.445 52.037 0.047 0.000 0.835 48 A CB 0.694 19.723 19.000 0.048 0.000 1.164 48 A HN 0.848 nan 8.150 nan 0.000 0.505 49 R N 3.567 124.101 120.500 0.057 0.000 2.295 49 R HA 0.558 4.898 4.340 -0.000 0.000 0.324 49 R C -1.122 175.242 176.300 0.106 0.000 0.968 49 R CA -0.396 55.721 56.100 0.028 0.000 0.837 49 R CB 0.616 30.993 30.300 0.128 0.000 1.133 49 R HN 0.777 nan 8.270 nan 0.000 0.450 50 M N 4.472 124.134 119.600 0.104 0.000 2.069 50 M HA 0.170 4.650 4.480 -0.000 0.000 0.349 50 M C 0.084 176.552 176.300 0.279 0.000 1.194 50 M CA -0.234 55.236 55.300 0.282 0.000 1.081 50 M CB 1.000 33.855 32.600 0.424 0.000 1.500 50 M HN 0.481 nan 8.290 nan 0.000 0.438 51 N N 3.043 121.931 118.700 0.314 0.000 2.402 51 N HA 0.075 4.815 4.740 -0.000 0.000 0.252 51 N C -0.566 175.159 175.510 0.358 0.000 1.118 51 N CA -0.092 53.136 53.050 0.297 0.000 0.945 51 N CB 0.490 39.138 38.487 0.267 0.000 1.147 51 N HN 0.540 nan 8.380 nan 0.000 0.495 52 F N 1.913 121.823 119.950 -0.065 0.000 2.725 52 F HA 0.119 4.646 4.527 -0.000 0.000 0.303 52 F C 1.917 177.696 175.800 -0.034 0.000 1.167 52 F CA -0.054 57.881 58.000 -0.107 0.000 1.403 52 F CB -0.049 38.847 39.000 -0.174 0.000 1.077 52 F HN 0.467 nan 8.300 nan 0.000 0.537 53 S N -1.525 114.209 115.700 0.057 0.000 2.561 53 S HA 0.009 4.479 4.470 -0.000 0.000 0.225 53 S C 0.272 174.504 174.600 -0.614 0.000 0.977 53 S CA 0.528 58.584 58.200 -0.240 0.000 0.926 53 S CB -0.286 62.742 63.200 -0.286 0.000 0.769 53 S HN 0.299 nan 8.310 nan 0.000 0.533 54 H N -0.397 118.710 119.070 0.063 0.000 3.012 54 H HA 0.505 5.061 4.556 -0.000 0.000 0.367 54 H C 0.317 175.560 175.328 -0.141 0.000 1.211 54 H CA -0.245 55.772 56.048 -0.051 0.000 1.139 54 H CB 1.288 30.998 29.762 -0.087 0.000 1.838 54 H HN 0.267 nan 8.280 nan 0.000 0.550 55 G N 1.428 110.114 108.800 -0.190 0.000 2.767 55 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 55 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 55 G C 0.199 174.921 174.900 -0.297 0.000 1.213 55 G CA -0.120 44.718 45.100 -0.436 0.000 0.803 55 G HN 0.895 nan 8.290 nan 0.000 0.603 56 S N 0.843 116.397 115.700 -0.243 0.000 2.612 56 S HA 0.256 4.726 4.470 -0.000 0.000 0.253 56 S C 1.248 175.714 174.600 -0.224 0.000 1.346 56 S CA 0.789 58.849 58.200 -0.232 0.000 0.976 56 S CB 0.548 63.659 63.200 -0.149 0.000 0.949 56 S HN 0.802 nan 8.310 nan 0.000 0.584 57 H N -0.070 118.832 119.070 -0.279 0.000 2.423 57 H HA -0.029 4.527 4.556 -0.000 0.000 0.297 57 H C 2.193 177.390 175.328 -0.220 0.000 1.075 57 H CA 1.409 57.169 56.048 -0.481 0.000 1.342 57 H CB 0.005 29.398 29.762 -0.614 0.000 1.395 57 H HN 0.718 nan 8.280 nan 0.000 0.530 58 E N 0.284 120.495 120.200 0.019 0.000 2.118 58 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 58 E C 1.634 178.237 176.600 0.005 0.000 0.992 58 E CA 1.088 57.511 56.400 0.038 0.000 0.804 58 E CB -0.079 29.635 29.700 0.024 0.000 0.741 58 E HN 0.486 nan 8.360 nan 0.000 0.458 59 Y N 1.197 121.379 120.300 -0.196 0.000 2.049 59 Y HA -0.288 4.262 4.550 -0.000 0.000 0.277 59 Y C 2.402 178.160 175.900 -0.236 0.000 1.143 59 Y CA 2.079 60.008 58.100 -0.286 0.000 1.115 59 Y CB -0.242 37.910 38.460 -0.513 0.000 0.975 59 Y HN 0.168 nan 8.280 nan 0.000 0.487 60 H N -0.838 118.283 119.070 0.084 0.000 2.456 60 H HA -0.152 4.404 4.556 -0.000 0.000 0.296 60 H C 2.084 177.523 175.328 0.186 0.000 1.079 60 H CA 1.516 57.628 56.048 0.106 0.000 1.322 60 H CB -0.337 29.430 29.762 0.008 0.000 1.388 60 H HN 0.414 nan 8.280 nan 0.000 0.538 61 Q N 1.045 121.032 119.800 0.312 0.000 2.096 61 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 61 Q C 2.074 178.145 176.000 0.118 0.000 0.982 61 Q CA 2.203 58.198 55.803 0.319 0.000 0.850 61 Q CB -0.227 28.701 28.738 0.317 0.000 0.901 61 Q HN 0.338 nan 8.270 nan 0.000 0.422 62 T N -0.317 114.237 114.554 0.001 0.000 2.708 62 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 62 T C 1.771 176.415 174.700 -0.093 0.000 1.037 62 T CA 1.799 63.845 62.100 -0.090 0.000 1.146 62 T CB -0.785 67.956 68.868 -0.212 0.000 0.865 62 T HN 0.403 nan 8.240 nan 0.000 0.435 63 T N 2.193 116.677 114.554 -0.117 0.000 2.665 63 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 63 T C 1.973 176.704 174.700 0.052 0.000 1.035 63 T CA 1.184 63.270 62.100 -0.023 0.000 1.151 63 T CB -0.523 68.405 68.868 0.099 0.000 0.862 63 T HN 0.303 nan 8.240 nan 0.000 0.438 64 I N 1.466 122.099 120.570 0.104 0.000 2.113 64 I HA -0.202 3.968 4.170 -0.000 0.000 0.238 64 I C 2.430 178.567 176.117 0.033 0.000 1.070 64 I CA 1.121 62.472 61.300 0.084 0.000 1.332 64 I CB -0.355 37.713 38.000 0.114 0.000 1.044 64 I HN 0.162 nan 8.210 nan 0.000 0.402 65 N N 0.963 119.677 118.700 0.024 0.000 2.166 65 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 65 N C 1.550 177.056 175.510 -0.006 0.000 1.019 65 N CA 1.307 54.359 53.050 0.003 0.000 0.856 65 N CB -0.668 37.820 38.487 0.002 0.000 0.993 65 N HN 0.366 nan 8.380 nan 0.000 0.426 66 N N 0.482 119.176 118.700 -0.011 0.000 2.109 66 N HA -0.037 4.703 4.740 -0.000 0.000 0.188 66 N C 1.928 177.435 175.510 -0.006 0.000 1.034 66 N CA 0.456 53.496 53.050 -0.016 0.000 0.846 66 N CB -0.741 37.727 38.487 -0.031 0.000 1.010 66 N HN -0.070 nan 8.380 nan 0.000 0.425 67 V N 1.231 121.147 119.914 0.003 0.000 2.278 67 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 67 V C 2.458 178.552 176.094 0.000 0.000 1.062 67 V CA 1.787 64.093 62.300 0.009 0.000 1.038 67 V CB -0.397 31.437 31.823 0.020 0.000 0.646 67 V HN 0.224 nan 8.190 nan 0.000 0.447 68 R N -0.606 119.891 120.500 -0.004 0.000 2.083 68 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 68 R C 2.435 178.725 176.300 -0.015 0.000 1.137 68 R CA 1.783 57.874 56.100 -0.015 0.000 0.951 68 R CB -0.423 29.866 30.300 -0.019 0.000 0.851 68 R HN 0.558 nan 8.270 nan 0.000 0.434 69 Q N -0.900 118.892 119.800 -0.012 0.000 2.230 69 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 69 Q C 1.754 177.749 176.000 -0.008 0.000 0.963 69 Q CA 1.242 57.038 55.803 -0.012 0.000 0.866 69 Q CB 0.127 28.858 28.738 -0.012 0.000 0.931 69 Q HN 0.412 nan 8.270 nan 0.000 0.452 70 A N 0.816 123.633 122.820 -0.005 0.000 1.841 70 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 70 A C 2.281 179.866 177.584 0.002 0.000 1.195 70 A CA 1.620 53.657 52.037 0.000 0.000 0.611 70 A CB -0.939 18.063 19.000 0.004 0.000 0.835 70 A HN 0.449 nan 8.150 nan 0.000 0.443 71 A N -0.112 122.709 122.820 0.001 0.000 1.940 71 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 71 A C 2.487 180.068 177.584 -0.004 0.000 1.176 71 A CA 2.263 54.301 52.037 0.002 0.000 0.631 71 A CB -1.059 17.940 19.000 -0.002 0.000 0.814 71 A HN 1.123 nan 8.150 nan 0.000 0.446 72 A N -0.293 122.520 122.820 -0.012 0.000 1.908 72 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 72 A C 1.960 179.539 177.584 -0.008 0.000 1.181 72 A CA 1.787 53.814 52.037 -0.017 0.000 0.627 72 A CB -0.537 18.450 19.000 -0.021 0.000 0.818 72 A HN 0.649 nan 8.150 nan 0.000 0.445 73 E N -0.520 119.678 120.200 -0.004 0.000 2.152 73 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 73 E C 1.441 178.044 176.600 0.005 0.000 0.983 73 E CA 0.708 57.108 56.400 -0.000 0.000 0.818 73 E CB -0.150 29.550 29.700 -0.000 0.000 0.758 73 E HN 0.610 nan 8.360 nan 0.000 0.467 74 L N -0.015 121.213 121.223 0.008 0.000 2.591 74 L HA 0.166 4.506 4.340 -0.000 0.000 0.228 74 L C 1.029 177.912 176.870 0.021 0.000 1.133 74 L CA 0.066 54.915 54.840 0.015 0.000 0.880 74 L CB -0.187 41.883 42.059 0.018 0.000 1.033 74 L HN 0.174 nan 8.230 nan 0.000 0.450 75 G N 1.697 110.506 108.800 0.015 0.000 2.366 75 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.299 75 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.299 75 G C 0.083 175.003 174.900 0.033 0.000 1.020 75 G CA 0.607 45.720 45.100 0.021 0.000 1.026 75 G HN 0.320 nan 8.290 nan 0.000 0.512 76 V N -4.152 115.776 119.914 0.025 0.000 3.158 76 V HA 0.805 4.925 4.120 -0.000 0.000 0.311 76 V C -0.288 175.813 176.094 0.011 0.000 1.181 76 V CA -1.947 60.373 62.300 0.033 0.000 1.054 76 V CB 2.232 34.083 31.823 0.047 0.000 1.085 76 V HN 0.104 nan 8.190 nan 0.000 0.446 77 N N 1.763 120.472 118.700 0.015 0.000 2.476 77 N HA 0.579 5.319 4.740 -0.000 0.000 0.257 77 N C -1.337 174.178 175.510 0.008 0.000 0.970 77 N CA -0.273 52.774 53.050 -0.004 0.000 0.938 77 N CB 1.559 40.040 38.487 -0.011 0.000 1.144 77 N HN 0.588 nan 8.380 nan 0.000 0.500 78 I N 1.593 122.163 120.570 0.000 0.000 2.378 78 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 78 I C 0.668 176.784 176.117 -0.002 0.000 0.992 78 I CA -1.080 60.225 61.300 0.009 0.000 1.154 78 I CB 1.016 39.024 38.000 0.013 0.000 1.315 78 I HN 0.318 nan 8.210 nan 0.000 0.448 79 A N 7.810 130.633 122.820 0.005 0.000 2.425 79 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 79 A C -0.028 177.542 177.584 -0.023 0.000 1.084 79 A CA -0.192 51.840 52.037 -0.009 0.000 0.781 79 A CB 0.283 19.286 19.000 0.005 0.000 1.019 79 A HN 0.651 nan 8.150 nan 0.000 0.490 80 I N 1.467 122.007 120.570 -0.049 0.000 2.377 80 I HA 0.516 4.686 4.170 -0.000 0.000 0.293 80 I C 0.480 176.504 176.117 -0.155 0.000 0.987 80 I CA -0.299 60.961 61.300 -0.068 0.000 1.185 80 I CB 1.748 39.725 38.000 -0.038 0.000 1.341 80 I HN 0.682 nan 8.210 nan 0.000 0.455 81 A N 7.201 129.876 122.820 -0.241 0.000 2.330 81 A HA 0.717 5.037 4.320 -0.000 0.000 0.327 81 A C -0.964 176.356 177.584 -0.441 0.000 1.155 81 A CA -0.540 51.184 52.037 -0.523 0.000 0.803 81 A CB 1.373 19.757 19.000 -1.027 0.000 1.208 81 A HN 0.770 nan 8.150 nan 0.000 0.477 82 L N 2.440 123.364 121.223 -0.497 0.000 2.280 82 L HA 0.360 4.700 4.340 -0.000 0.000 0.287 82 L C -0.815 175.793 176.870 -0.438 0.000 1.023 82 L CA -0.524 54.001 54.840 -0.525 0.000 0.819 82 L CB 0.989 42.670 42.059 -0.629 0.000 1.212 82 L HN 0.725 nan 8.230 nan 0.000 0.420 83 D N 4.121 124.359 120.400 -0.269 0.000 2.428 83 D HA 0.054 4.694 4.640 -0.000 0.000 0.221 83 D C 0.019 176.299 176.300 -0.034 0.000 1.123 83 D CA -0.107 53.868 54.000 -0.042 0.000 0.869 83 D CB 1.177 42.047 40.800 0.118 0.000 1.032 83 D HN 0.450 nan 8.370 nan 0.000 0.506 84 T N 2.623 117.147 114.554 -0.050 0.000 2.934 84 T HA -0.117 4.233 4.350 -0.000 0.000 0.321 84 T C 1.341 176.080 174.700 0.065 0.000 1.080 84 T CA 0.456 62.551 62.100 -0.008 0.000 1.132 84 T CB 0.849 69.721 68.868 0.006 0.000 1.039 84 T HN 0.480 nan 8.240 nan 0.000 0.543 85 K N 2.307 122.771 120.400 0.106 0.000 1.991 85 K HA 0.214 4.534 4.320 -0.000 0.000 0.207 85 K C 1.184 177.890 176.600 0.176 0.000 1.045 85 K CA 1.174 57.533 56.287 0.120 0.000 0.937 85 K CB -0.637 31.924 32.500 0.101 0.000 0.720 85 K HN 0.984 nan 8.250 nan 0.000 0.438 86 G N -0.008 108.892 108.800 0.167 0.000 2.482 86 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 86 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 86 G C -2.568 172.442 174.900 0.183 0.000 1.271 86 G CA -0.189 45.047 45.100 0.226 0.000 0.944 86 G HN 0.246 nan 8.290 nan 0.000 0.568 87 P HA 0.322 nan 4.420 nan 0.000 0.212 87 P C -0.048 177.147 177.300 -0.175 0.000 1.816 87 P CA 0.029 63.119 63.100 -0.017 0.000 0.944 87 P CB 0.020 31.676 31.700 -0.072 0.000 1.896 88 E N 0.816 120.996 120.200 -0.034 0.000 2.383 88 E HA 0.310 4.660 4.350 -0.000 0.000 0.264 88 E C -0.042 176.512 176.600 -0.077 0.000 1.050 88 E CA -0.319 56.044 56.400 -0.062 0.000 0.896 88 E CB 0.686 30.445 29.700 0.099 0.000 0.982 88 E HN 0.296 nan 8.360 nan 0.000 0.424 89 I N 3.180 123.694 120.570 -0.093 0.000 2.418 89 I HA 0.375 4.545 4.170 -0.000 0.000 0.287 89 I C -0.033 176.097 176.117 0.022 0.000 1.008 89 I CA -0.543 60.734 61.300 -0.037 0.000 1.104 89 I CB 1.488 39.435 38.000 -0.089 0.000 1.264 89 I HN 0.280 nan 8.210 nan 0.000 0.438 90 R N 2.619 123.149 120.500 0.050 0.000 2.832 90 R HA 0.599 4.939 4.340 -0.000 0.000 0.271 90 R C -0.095 176.251 176.300 0.077 0.000 0.996 90 R CA -0.784 55.363 56.100 0.078 0.000 0.977 90 R CB 2.377 32.733 30.300 0.093 0.000 1.168 90 R HN 0.709 nan 8.270 nan 0.000 0.482 91 T N -1.483 113.138 114.554 0.112 0.000 2.754 91 T HA 0.364 4.714 4.350 -0.000 0.000 0.286 91 T C 0.873 175.641 174.700 0.112 0.000 0.997 91 T CA -0.479 61.705 62.100 0.140 0.000 0.982 91 T CB 1.143 70.103 68.868 0.155 0.000 1.027 91 T HN 0.599 nan 8.240 nan 0.000 0.529 92 G N -0.189 108.705 108.800 0.156 0.000 2.494 92 G HA2 0.470 4.430 3.960 -0.000 0.000 0.270 92 G HA3 0.470 4.430 3.960 -0.000 0.000 0.270 92 G C -0.402 174.339 174.900 -0.266 0.000 1.423 92 G CA -0.864 44.309 45.100 0.122 0.000 1.055 92 G HN 0.876 nan 8.290 nan 0.000 0.536 93 Q N -1.355 118.303 119.800 -0.237 0.000 2.249 93 Q HA 0.544 4.884 4.340 -0.000 0.000 0.226 93 Q C -1.426 174.293 176.000 -0.468 0.000 0.983 93 Q CA -0.107 55.525 55.803 -0.286 0.000 0.930 93 Q CB 1.428 30.116 28.738 -0.083 0.000 1.193 93 Q HN 0.344 nan 8.270 nan 0.000 0.508 94 F N -0.596 119.388 119.950 0.057 0.000 2.563 94 F HA 0.371 4.898 4.527 -0.000 0.000 0.316 94 F C -0.566 175.261 175.800 0.045 0.000 1.076 94 F CA -1.243 56.788 58.000 0.051 0.000 0.921 94 F CB 1.406 40.407 39.000 0.001 0.000 1.209 94 F HN 0.155 nan 8.300 nan 0.000 0.462 95 V N 2.210 122.282 119.914 0.264 0.000 2.488 95 V HA 0.680 4.800 4.120 -0.000 0.000 0.277 95 V C 0.578 176.742 176.094 0.117 0.000 1.046 95 V CA -0.247 62.144 62.300 0.151 0.000 0.986 95 V CB 0.058 31.957 31.823 0.128 0.000 0.989 95 V HN 1.129 nan 8.190 nan 0.000 0.475 96 G N 4.229 113.079 108.800 0.083 0.000 2.796 96 G HA2 0.060 4.020 3.960 -0.000 0.000 0.571 96 G HA3 0.060 4.020 3.960 -0.000 0.000 0.571 96 G C 0.745 175.690 174.900 0.075 0.000 1.370 96 G CA -0.073 45.062 45.100 0.059 0.000 0.856 96 G HN 1.264 nan 8.290 nan 0.000 0.538 97 G N -0.408 108.422 108.800 0.049 0.000 2.446 97 G HA2 0.217 4.177 3.960 -0.000 0.000 0.217 97 G HA3 0.217 4.177 3.960 -0.000 0.000 0.217 97 G C 0.675 175.630 174.900 0.092 0.000 1.168 97 G CA 2.509 47.644 45.100 0.058 0.000 0.771 97 G HN 1.451 nan 8.290 nan 0.000 0.551 98 D N -2.401 118.019 120.400 0.033 0.000 2.898 98 D HA 0.698 5.338 4.640 -0.000 0.000 0.266 98 D C 0.807 176.930 176.300 -0.295 0.000 1.173 98 D CA -0.018 53.941 54.000 -0.068 0.000 1.078 98 D CB 0.712 41.459 40.800 -0.088 0.000 1.326 98 D HN 0.090 nan 8.370 nan 0.000 0.622 99 A N -0.603 121.914 122.820 -0.505 0.000 2.068 99 A HA 0.590 4.910 4.320 -0.000 0.000 0.206 99 A C 0.350 177.738 177.584 -0.327 0.000 1.822 99 A CA 0.975 52.627 52.037 -0.641 0.000 0.899 99 A CB -0.450 17.909 19.000 -1.068 0.000 1.251 99 A HN 1.531 nan 8.150 nan 0.000 0.599 100 V N -2.238 117.508 119.914 -0.279 0.000 5.931 100 V HA -0.151 3.969 4.120 -0.000 0.000 0.317 100 V C -0.554 175.444 176.094 -0.160 0.000 0.562 100 V CA 0.616 62.798 62.300 -0.198 0.000 1.035 100 V CB -3.024 28.705 31.823 -0.156 0.000 1.148 100 V HN 0.490 nan 8.190 nan 0.000 0.523 101 M N 3.708 123.216 119.600 -0.154 0.000 2.266 101 M HA 0.459 4.939 4.480 -0.000 0.000 0.340 101 M C 0.558 176.813 176.300 -0.075 0.000 1.486 101 M CA 0.725 55.970 55.300 -0.092 0.000 1.209 101 M CB 0.303 32.864 32.600 -0.067 0.000 1.714 101 M HN 0.674 nan 8.290 nan 0.000 0.459 102 E N 2.294 122.457 120.200 -0.062 0.000 2.283 102 E HA 0.244 4.594 4.350 -0.000 0.000 0.271 102 E C 0.641 177.220 176.600 -0.035 0.000 1.031 102 E CA -0.398 55.970 56.400 -0.053 0.000 0.868 102 E CB 1.356 31.025 29.700 -0.051 0.000 1.094 102 E HN 0.569 nan 8.360 nan 0.000 0.401 103 R N 1.698 122.180 120.500 -0.030 0.000 2.325 103 R HA -0.172 4.168 4.340 -0.000 0.000 0.208 103 R C 1.818 178.106 176.300 -0.020 0.000 1.043 103 R CA 2.104 58.191 56.100 -0.021 0.000 0.829 103 R CB -1.012 29.277 30.300 -0.018 0.000 0.763 103 R HN 0.683 nan 8.270 nan 0.000 0.446 104 G N 0.138 108.927 108.800 -0.019 0.000 2.615 104 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.213 104 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.213 104 G C 0.238 175.122 174.900 -0.027 0.000 1.135 104 G CA 0.562 45.650 45.100 -0.019 0.000 0.772 104 G HN 0.643 nan 8.290 nan 0.000 0.542 105 A N -0.036 122.766 122.820 -0.030 0.000 2.425 105 A HA 0.549 4.869 4.320 -0.000 0.000 0.242 105 A C 0.541 178.087 177.584 -0.063 0.000 1.077 105 A CA 0.098 52.112 52.037 -0.038 0.000 0.781 105 A CB 0.352 19.333 19.000 -0.031 0.000 1.020 105 A HN 0.182 nan 8.150 nan 0.000 0.494 106 T N 1.170 115.669 114.554 -0.091 0.000 2.767 106 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 106 T C 0.093 174.635 174.700 -0.264 0.000 0.973 106 T CA -0.197 61.795 62.100 -0.180 0.000 0.996 106 T CB 0.198 68.957 68.868 -0.183 0.000 0.927 106 T HN 1.101 nan 8.240 nan 0.000 0.456 107 C N 2.280 121.373 119.300 -0.345 0.000 2.973 107 C HA 0.890 5.350 4.460 -0.000 0.000 0.329 107 C C -1.271 173.309 174.990 -0.683 0.000 1.327 107 C CA -1.279 57.524 59.018 -0.359 0.000 1.632 107 C CB 0.218 27.917 27.740 -0.068 0.000 2.098 107 C HN 0.815 nan 8.230 nan 0.000 0.469 108 Y N -0.318 119.904 120.300 -0.130 0.000 2.485 108 Y HA 0.715 5.265 4.550 -0.000 0.000 0.345 108 Y C -0.027 175.643 175.900 -0.384 0.000 0.998 108 Y CA -0.905 57.073 58.100 -0.204 0.000 1.059 108 Y CB 2.109 40.464 38.460 -0.175 0.000 1.234 108 Y HN 0.589 nan 8.280 nan 0.000 0.461 109 V N 2.164 121.950 119.914 -0.212 0.000 2.525 109 V HA 0.448 4.568 4.120 -0.000 0.000 0.299 109 V C -0.398 175.585 176.094 -0.185 0.000 1.034 109 V CA -0.752 61.312 62.300 -0.392 0.000 0.863 109 V CB 1.902 33.477 31.823 -0.413 0.000 0.999 109 V HN 0.889 nan 8.190 nan 0.000 0.423 110 T N 0.293 114.750 114.554 -0.162 0.000 2.918 110 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 110 T C 0.487 175.201 174.700 0.023 0.000 1.026 110 T CA 0.024 62.108 62.100 -0.027 0.000 1.031 110 T CB 1.756 70.640 68.868 0.027 0.000 1.046 110 T HN 0.742 nan 8.240 nan 0.000 0.479 111 T N -1.056 113.529 114.554 0.052 0.000 3.258 111 T HA 0.281 4.631 4.350 -0.000 0.000 0.259 111 T C -0.338 174.507 174.700 0.242 0.000 0.963 111 T CA -0.613 61.508 62.100 0.035 0.000 0.919 111 T CB -0.597 68.247 68.868 -0.040 0.000 1.110 111 T HN 0.687 nan 8.240 nan 0.000 0.550 112 D N 1.883 122.525 120.400 0.403 0.000 2.453 112 D HA 0.341 4.981 4.640 -0.000 0.000 0.238 112 D C -1.428 175.043 176.300 0.285 0.000 1.088 112 D CA -2.593 51.602 54.000 0.325 0.000 0.854 112 D CB 2.124 43.099 40.800 0.291 0.000 1.076 112 D HN -0.068 nan 8.370 nan 0.000 0.533 113 P HA -0.172 nan 4.420 nan 0.000 0.220 113 P C 1.099 178.203 177.300 -0.327 0.000 1.144 113 P CA 0.744 63.668 63.100 -0.293 0.000 0.800 113 P CB 0.186 31.807 31.700 -0.131 0.000 0.772 114 A N -0.800 121.897 122.820 -0.205 0.000 2.019 114 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 114 A C 1.772 179.141 177.584 -0.357 0.000 1.164 114 A CA 1.050 52.907 52.037 -0.300 0.000 0.644 114 A CB -1.667 17.110 19.000 -0.371 0.000 0.805 114 A HN 0.180 nan 8.150 nan 0.000 0.449 115 F N -0.817 119.070 119.950 -0.106 0.000 2.732 115 F HA 0.265 4.792 4.527 -0.000 0.000 0.303 115 F C 2.229 177.972 175.800 -0.095 0.000 1.110 115 F CA 0.093 58.075 58.000 -0.029 0.000 1.355 115 F CB 0.124 39.185 39.000 0.102 0.000 1.081 115 F HN 0.280 nan 8.300 nan 0.000 0.565 116 A N 0.899 123.567 122.820 -0.253 0.000 1.832 116 A HA -0.212 4.108 4.320 -0.000 0.000 0.214 116 A C 2.259 179.778 177.584 -0.108 0.000 1.200 116 A CA 1.878 53.726 52.037 -0.316 0.000 0.610 116 A CB -0.902 17.741 19.000 -0.596 0.000 0.842 116 A HN 0.419 nan 8.150 nan 0.000 0.444 117 D N -0.268 120.064 120.400 -0.114 0.000 2.178 117 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 117 D C 0.502 176.796 176.300 -0.011 0.000 0.980 117 D CA 1.217 55.179 54.000 -0.062 0.000 0.842 117 D CB -0.155 40.603 40.800 -0.070 0.000 0.948 117 D HN 0.415 nan 8.370 nan 0.000 0.472 118 K N 0.309 120.725 120.400 0.027 0.000 2.753 118 K HA 0.483 4.803 4.320 -0.000 0.000 0.185 118 K C -0.294 176.435 176.600 0.215 0.000 1.071 118 K CA -0.395 55.948 56.287 0.093 0.000 0.999 118 K CB 1.736 34.270 32.500 0.058 0.000 1.244 118 K HN 0.098 nan 8.250 nan 0.000 0.594 119 G N 0.102 109.028 108.800 0.211 0.000 2.471 119 G HA2 0.516 4.476 3.960 -0.000 0.000 0.332 119 G HA3 0.516 4.476 3.960 -0.000 0.000 0.332 119 G C -0.721 174.468 174.900 0.480 0.000 1.176 119 G CA -0.191 45.106 45.100 0.328 0.000 0.949 119 G HN 0.187 nan 8.290 nan 0.000 0.488 120 T N -1.783 113.098 114.554 0.545 0.000 2.838 120 T HA 0.403 4.753 4.350 -0.000 0.000 0.292 120 T C 1.135 176.059 174.700 0.373 0.000 1.113 120 T CA -0.379 61.969 62.100 0.413 0.000 1.008 120 T CB 1.526 70.542 68.868 0.247 0.000 1.259 120 T HN 0.560 nan 8.240 nan 0.000 0.520 121 K N 0.797 121.264 120.400 0.112 0.000 2.574 121 K HA 0.115 4.435 4.320 -0.000 0.000 0.193 121 K C 0.703 177.401 176.600 0.163 0.000 1.035 121 K CA 1.348 57.663 56.287 0.047 0.000 0.982 121 K CB 0.095 32.547 32.500 -0.080 0.000 0.795 121 K HN 0.333 nan 8.250 nan 0.000 0.491 122 D N 0.621 121.135 120.400 0.191 0.000 2.431 122 D HA 0.035 4.675 4.640 -0.000 0.000 0.235 122 D C -0.279 176.134 176.300 0.188 0.000 0.980 122 D CA 0.943 55.040 54.000 0.162 0.000 0.912 122 D CB 0.363 41.247 40.800 0.141 0.000 1.056 122 D HN 0.445 nan 8.370 nan 0.000 0.494 123 K N 0.285 120.789 120.400 0.173 0.000 2.581 123 K HA 0.426 4.746 4.320 -0.000 0.000 0.249 123 K C -1.297 175.355 176.600 0.087 0.000 0.966 123 K CA -0.885 55.418 56.287 0.026 0.000 0.811 123 K CB 1.093 33.510 32.500 -0.139 0.000 1.223 123 K HN -0.073 nan 8.250 nan 0.000 0.438 124 F N 0.241 120.240 119.950 0.081 0.000 2.611 124 F HA 0.586 5.113 4.527 -0.000 0.000 0.324 124 F C -0.720 175.152 175.800 0.119 0.000 1.061 124 F CA -1.601 56.490 58.000 0.153 0.000 0.954 124 F CB 0.611 39.854 39.000 0.406 0.000 1.301 124 F HN 0.530 nan 8.300 nan 0.000 0.482 125 Y N 1.884 122.312 120.300 0.214 0.000 2.299 125 Y HA 0.667 5.217 4.550 -0.000 0.000 0.335 125 Y C -0.810 175.195 175.900 0.176 0.000 1.287 125 Y CA -1.037 57.147 58.100 0.140 0.000 1.424 125 Y CB 0.674 39.224 38.460 0.151 0.000 1.326 125 Y HN 0.609 nan 8.280 nan 0.000 0.567 126 I N 3.301 123.456 120.570 -0.691 0.000 2.692 126 I HA 0.120 4.290 4.170 -0.000 0.000 0.293 126 I C -0.340 175.137 176.117 -1.066 0.000 1.200 126 I CA -0.644 60.307 61.300 -0.582 0.000 1.036 126 I CB 2.315 40.210 38.000 -0.175 0.000 1.258 126 I HN 0.791 nan 8.210 nan 0.000 0.421 127 D N 4.160 124.197 120.400 -0.604 0.000 2.123 127 D HA -0.226 4.414 4.640 -0.000 0.000 0.200 127 D C 0.891 177.155 176.300 -0.060 0.000 0.976 127 D CA 0.821 54.657 54.000 -0.273 0.000 0.831 127 D CB -0.196 40.653 40.800 0.082 0.000 0.974 127 D HN 0.381 nan 8.370 nan 0.000 0.469 128 Y N 2.023 122.247 120.300 -0.127 0.000 2.857 128 Y HA -0.037 4.513 4.550 -0.000 0.000 0.381 128 Y C 1.477 177.344 175.900 -0.056 0.000 1.369 128 Y CA -0.396 57.663 58.100 -0.068 0.000 1.801 128 Y CB -0.049 38.375 38.460 -0.061 0.000 1.271 128 Y HN -0.044 nan 8.280 nan 0.000 0.493 129 Q N 3.315 122.937 119.800 -0.297 0.000 2.096 129 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 129 Q C 0.811 176.568 176.000 -0.405 0.000 0.982 129 Q CA 2.069 57.715 55.803 -0.262 0.000 0.850 129 Q CB -0.065 28.589 28.738 -0.140 0.000 0.901 129 Q HN 0.679 nan 8.270 nan 0.000 0.422 130 N N 0.382 118.621 118.700 -0.767 0.000 2.410 130 N HA -0.002 4.738 4.740 -0.000 0.000 0.231 130 N C 0.730 175.887 175.510 -0.589 0.000 1.172 130 N CA -0.010 52.672 53.050 -0.612 0.000 0.849 130 N CB 0.247 38.445 38.487 -0.482 0.000 1.116 130 N HN 0.232 nan 8.380 nan 0.000 0.485 131 L N 1.283 122.238 121.223 -0.446 0.000 1.948 131 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 131 L C 2.265 179.150 176.870 0.025 0.000 1.074 131 L CA 1.942 56.769 54.840 -0.022 0.000 0.753 131 L CB -1.036 41.052 42.059 0.047 0.000 0.888 131 L HN 0.231 nan 8.230 nan 0.000 0.432 132 S N -1.515 114.188 115.700 0.004 0.000 2.469 132 S HA -0.201 4.269 4.470 -0.000 0.000 0.238 132 S C 1.938 176.547 174.600 0.015 0.000 0.998 132 S CA 1.100 59.347 58.200 0.078 0.000 0.957 132 S CB -0.696 62.537 63.200 0.055 0.000 0.764 132 S HN 0.498 nan 8.310 nan 0.000 0.514 133 K N 0.155 120.525 120.400 -0.050 0.000 2.432 133 K HA 0.202 4.522 4.320 -0.000 0.000 0.196 133 K C 1.046 177.651 176.600 0.007 0.000 1.038 133 K CA 0.626 56.882 56.287 -0.053 0.000 0.986 133 K CB 0.109 32.561 32.500 -0.081 0.000 0.782 133 K HN 0.319 nan 8.250 nan 0.000 0.485 134 V N 0.815 120.761 119.914 0.053 0.000 3.252 134 V HA 0.145 4.265 4.120 -0.000 0.000 0.320 134 V C -0.881 175.269 176.094 0.094 0.000 1.459 134 V CA -0.163 62.188 62.300 0.085 0.000 1.095 134 V CB 1.345 33.244 31.823 0.127 0.000 0.997 134 V HN -0.206 nan 8.190 nan 0.000 0.469 135 V N 2.669 122.650 119.914 0.111 0.000 2.487 135 V HA 0.574 4.694 4.120 -0.000 0.000 0.298 135 V C -0.170 175.960 176.094 0.060 0.000 1.028 135 V CA -0.640 61.709 62.300 0.082 0.000 0.860 135 V CB 2.062 33.931 31.823 0.076 0.000 0.991 135 V HN 0.432 nan 8.190 nan 0.000 0.427 136 R N 6.372 126.874 120.500 0.004 0.000 2.474 136 R HA 0.497 4.837 4.340 -0.000 0.000 0.295 136 R C -2.641 173.594 176.300 -0.108 0.000 0.980 136 R CA -1.991 54.088 56.100 -0.034 0.000 0.934 136 R CB 1.167 31.458 30.300 -0.015 0.000 1.101 136 R HN 0.413 nan 8.270 nan 0.000 0.469 137 P HA -0.057 nan 4.420 nan 0.000 0.264 137 P C 0.533 177.748 177.300 -0.141 0.000 1.193 137 P CA 0.775 63.777 63.100 -0.163 0.000 0.763 137 P CB 0.900 32.508 31.700 -0.153 0.000 0.810 138 G N 2.838 111.528 108.800 -0.182 0.000 2.491 138 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.203 138 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.203 138 G C 0.323 174.997 174.900 -0.377 0.000 1.052 138 G CA -0.377 44.585 45.100 -0.230 0.000 0.675 138 G HN 0.575 nan 8.290 nan 0.000 0.504 139 N N 0.150 118.693 118.700 -0.261 0.000 2.329 139 N HA 0.382 5.122 4.740 -0.000 0.000 0.237 139 N C -0.610 174.724 175.510 -0.292 0.000 1.258 139 N CA 0.666 53.580 53.050 -0.227 0.000 0.866 139 N CB 0.165 38.605 38.487 -0.078 0.000 1.102 139 N HN 0.408 nan 8.380 nan 0.000 0.440 140 Y N 0.683 121.029 120.300 0.076 0.000 2.387 140 Y HA 0.461 5.011 4.550 -0.000 0.000 0.336 140 Y C 0.104 176.113 175.900 0.182 0.000 1.067 140 Y CA -0.769 57.420 58.100 0.148 0.000 1.114 140 Y CB 1.083 39.713 38.460 0.284 0.000 1.208 140 Y HN 0.255 nan 8.280 nan 0.000 0.458 141 I N 3.615 124.391 120.570 0.343 0.000 2.339 141 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 141 I C -1.070 175.284 176.117 0.394 0.000 0.994 141 I CA -0.729 60.748 61.300 0.294 0.000 1.191 141 I CB 0.607 38.715 38.000 0.179 0.000 1.343 141 I HN 0.472 nan 8.210 nan 0.000 0.458 142 Y N 6.807 127.161 120.300 0.090 0.000 2.308 142 Y HA 0.553 5.103 4.550 -0.000 0.000 0.329 142 Y C 0.136 176.082 175.900 0.077 0.000 1.111 142 Y CA -0.785 57.354 58.100 0.066 0.000 1.179 142 Y CB 1.070 39.552 38.460 0.036 0.000 1.201 142 Y HN 0.311 nan 8.280 nan 0.000 0.483 143 I N 2.588 123.254 120.570 0.159 0.000 2.533 143 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 143 I C -1.030 175.140 176.117 0.089 0.000 1.056 143 I CA -0.983 60.400 61.300 0.138 0.000 1.057 143 I CB 1.985 40.075 38.000 0.150 0.000 1.240 143 I HN 0.638 nan 8.210 nan 0.000 0.423 144 D N 5.185 125.645 120.400 0.100 0.000 3.830 144 D HA -0.185 4.455 4.640 -0.000 0.000 0.247 144 D C -0.064 176.277 176.300 0.068 0.000 1.073 144 D CA 0.549 54.597 54.000 0.080 0.000 1.116 144 D CB -0.498 40.336 40.800 0.057 0.000 0.909 144 D HN 0.747 nan 8.370 nan 0.000 0.418 145 D N 1.795 122.250 120.400 0.092 0.000 2.845 145 D HA -0.159 4.481 4.640 -0.000 0.000 0.229 145 D C 1.363 177.717 176.300 0.091 0.000 1.170 145 D CA 2.895 56.950 54.000 0.091 0.000 0.717 145 D CB -1.270 39.570 40.800 0.067 0.000 1.073 145 D HN 1.369 nan 8.370 nan 0.000 0.424 146 G N -0.559 108.309 108.800 0.114 0.000 2.153 146 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.252 146 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.252 146 G C 1.019 175.867 174.900 -0.087 0.000 0.994 146 G CA 0.674 45.833 45.100 0.098 0.000 0.698 146 G HN 0.843 nan 8.290 nan 0.000 0.521 147 I N -2.090 118.446 120.570 -0.057 0.000 3.226 147 I HA 0.547 4.717 4.170 -0.000 0.000 0.277 147 I C 0.843 176.898 176.117 -0.104 0.000 1.243 147 I CA 0.046 61.291 61.300 -0.092 0.000 1.459 147 I CB 0.222 38.172 38.000 -0.084 0.000 1.093 147 I HN 0.174 nan 8.210 nan 0.000 0.453 148 L N 2.535 123.707 121.223 -0.085 0.000 2.280 148 L HA 0.589 4.929 4.340 -0.000 0.000 0.287 148 L C -0.938 175.851 176.870 -0.135 0.000 1.023 148 L CA -0.434 54.362 54.840 -0.073 0.000 0.819 148 L CB 1.141 43.194 42.059 -0.010 0.000 1.212 148 L HN 0.070 nan 8.230 nan 0.000 0.420 149 I N 6.385 126.848 120.570 -0.180 0.000 2.355 149 I HA 0.339 4.509 4.170 -0.000 0.000 0.288 149 I C -0.370 175.739 176.117 -0.012 0.000 0.999 149 I CA -0.428 60.741 61.300 -0.218 0.000 1.163 149 I CB 1.240 38.982 38.000 -0.430 0.000 1.316 149 I HN 0.527 nan 8.210 nan 0.000 0.454 150 L N 5.603 126.879 121.223 0.089 0.000 2.431 150 L HA 0.524 4.864 4.340 -0.000 0.000 0.260 150 L C -0.117 176.870 176.870 0.194 0.000 1.098 150 L CA -0.666 54.243 54.840 0.116 0.000 0.800 150 L CB 0.973 43.096 42.059 0.107 0.000 1.210 150 L HN 0.567 nan 8.230 nan 0.000 0.465 151 Q N 0.648 120.509 119.800 0.102 0.000 2.310 151 Q HA 0.385 4.725 4.340 -0.000 0.000 0.270 151 Q C -1.460 174.496 176.000 -0.074 0.000 1.025 151 Q CA -0.625 55.183 55.803 0.009 0.000 0.772 151 Q CB 2.428 31.155 28.738 -0.019 0.000 1.253 151 Q HN 0.427 nan 8.270 nan 0.000 0.450 152 V N 4.549 124.397 119.914 -0.111 0.000 2.572 152 V HA -0.018 4.102 4.120 -0.000 0.000 0.291 152 V C 0.612 176.619 176.094 -0.144 0.000 1.039 152 V CA 0.404 62.631 62.300 -0.121 0.000 1.055 152 V CB 1.325 33.076 31.823 -0.121 0.000 0.969 152 V HN 0.877 nan 8.190 nan 0.000 0.482 153 Q N 2.495 122.214 119.800 -0.135 0.000 2.548 153 Q HA 0.241 4.580 4.340 -0.000 0.000 0.230 153 Q C 0.630 176.557 176.000 -0.122 0.000 0.899 153 Q CA 0.838 56.571 55.803 -0.117 0.000 0.936 153 Q CB 1.068 29.749 28.738 -0.095 0.000 1.114 153 Q HN 0.932 nan 8.270 nan 0.000 0.606 154 S N -0.771 114.849 115.700 -0.133 0.000 2.636 154 S HA 0.365 4.835 4.470 -0.000 0.000 0.266 154 S C -1.079 173.422 174.600 -0.164 0.000 1.147 154 S CA -0.924 57.182 58.200 -0.156 0.000 0.815 154 S CB 0.983 64.155 63.200 -0.047 0.000 1.119 154 S HN 0.152 nan 8.310 nan 0.000 0.470 155 H N 1.472 120.550 119.070 0.013 0.000 2.911 155 H HA 0.383 4.939 4.556 -0.000 0.000 0.273 155 H C 1.006 176.346 175.328 0.021 0.000 1.157 155 H CA -0.017 56.039 56.048 0.013 0.000 1.402 155 H CB 1.057 30.820 29.762 0.001 0.000 1.463 155 H HN 0.859 nan 8.280 nan 0.000 0.475 156 E N 2.477 122.760 120.200 0.139 0.000 2.106 156 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 156 E C -0.366 176.256 176.600 0.036 0.000 0.984 156 E CA 1.077 57.520 56.400 0.072 0.000 0.806 156 E CB 0.595 30.308 29.700 0.022 0.000 0.750 156 E HN 0.829 nan 8.360 nan 0.000 0.458 157 D N -3.017 117.413 120.400 0.049 0.000 2.759 157 D HA -0.030 4.610 4.640 -0.000 0.000 0.321 157 D C 0.155 176.459 176.300 0.007 0.000 1.267 157 D CA -0.501 53.512 54.000 0.021 0.000 0.933 157 D CB 0.111 40.913 40.800 0.002 0.000 1.431 157 D HN -0.026 nan 8.370 nan 0.000 0.504 158 E N -0.818 119.363 120.200 -0.031 0.000 2.448 158 E HA -0.250 4.100 4.350 -0.000 0.000 0.203 158 E C 0.312 176.877 176.600 -0.059 0.000 1.046 158 E CA 1.156 57.510 56.400 -0.077 0.000 0.871 158 E CB -0.510 29.152 29.700 -0.064 0.000 0.790 158 E HN 0.511 nan 8.360 nan 0.000 0.545 159 Q N -0.183 119.612 119.800 -0.010 0.000 2.028 159 Q HA 0.187 4.527 4.340 -0.000 0.000 0.207 159 Q C -0.777 175.242 176.000 0.032 0.000 0.776 159 Q CA -0.040 55.769 55.803 0.009 0.000 1.015 159 Q CB 1.824 30.577 28.738 0.025 0.000 1.215 159 Q HN -0.033 nan 8.270 nan 0.000 0.445 160 T N 0.982 115.564 114.554 0.047 0.000 2.861 160 T HA 0.581 4.931 4.350 -0.000 0.000 0.287 160 T C -0.872 173.888 174.700 0.099 0.000 1.003 160 T CA -0.489 61.637 62.100 0.042 0.000 0.977 160 T CB 1.421 70.286 68.868 -0.005 0.000 0.996 160 T HN 0.070 nan 8.240 nan 0.000 0.448 161 L N 2.446 123.718 121.223 0.081 0.000 2.298 161 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 161 L C 0.581 177.498 176.870 0.079 0.000 1.013 161 L CA -0.804 54.074 54.840 0.062 0.000 0.824 161 L CB 1.563 43.618 42.059 -0.006 0.000 1.221 161 L HN 0.662 nan 8.230 nan 0.000 0.418 162 E N 2.517 122.773 120.200 0.093 0.000 2.376 162 E HA 0.157 4.507 4.350 -0.000 0.000 0.266 162 E C -1.347 175.147 176.600 -0.176 0.000 1.009 162 E CA -0.127 56.234 56.400 -0.065 0.000 0.902 162 E CB 0.758 30.477 29.700 0.033 0.000 0.972 162 E HN 0.569 nan 8.360 nan 0.000 0.439 163 C N 3.579 122.706 119.300 -0.288 0.000 2.609 163 C HA 0.320 4.780 4.460 -0.000 0.000 0.313 163 C C 0.227 175.117 174.990 -0.166 0.000 1.175 163 C CA -0.682 58.227 59.018 -0.182 0.000 1.434 163 C CB 1.696 29.352 27.740 -0.140 0.000 2.005 163 C HN 0.709 nan 8.230 nan 0.000 0.471 164 T N 1.717 116.213 114.554 -0.098 0.000 2.909 164 T HA 0.452 4.801 4.350 -0.000 0.000 0.289 164 T C -0.318 174.368 174.700 -0.023 0.000 1.005 164 T CA -0.016 62.046 62.100 -0.063 0.000 1.084 164 T CB 0.598 69.441 68.868 -0.042 0.000 0.975 164 T HN 0.470 nan 8.240 nan 0.000 0.509 165 V N 5.470 125.373 119.914 -0.018 0.000 2.333 165 V HA 0.211 4.331 4.120 -0.000 0.000 0.274 165 V C 1.219 177.317 176.094 0.006 0.000 1.028 165 V CA -0.274 62.027 62.300 0.002 0.000 0.851 165 V CB 0.998 32.818 31.823 -0.006 0.000 1.000 165 V HN 1.088 nan 8.190 nan 0.000 0.456 166 T N 3.237 117.803 114.554 0.019 0.000 2.739 166 T HA -0.020 4.330 4.350 -0.000 0.000 0.249 166 T C 1.143 175.830 174.700 -0.022 0.000 1.050 166 T CA 0.552 62.658 62.100 0.011 0.000 1.165 166 T CB -0.106 68.774 68.868 0.020 0.000 0.872 166 T HN 0.545 nan 8.240 nan 0.000 0.411 167 N N 1.724 120.397 118.700 -0.046 0.000 2.285 167 N HA 0.158 4.898 4.740 -0.000 0.000 0.262 167 N C -0.516 174.982 175.510 -0.020 0.000 1.299 167 N CA 0.297 53.319 53.050 -0.046 0.000 0.930 167 N CB 0.532 38.974 38.487 -0.075 0.000 1.157 167 N HN 0.419 nan 8.380 nan 0.000 0.532 168 S N -0.217 115.482 115.700 -0.001 0.000 2.386 168 S HA 0.272 4.742 4.470 -0.000 0.000 0.152 168 S C -0.872 173.749 174.600 0.035 0.000 1.511 168 S CA -0.883 57.316 58.200 -0.003 0.000 1.246 168 S CB 0.305 63.491 63.200 -0.022 0.000 1.338 168 S HN 0.561 nan 8.310 nan 0.000 0.409 169 H N 0.834 119.866 119.070 -0.063 0.000 2.907 169 H HA 0.574 5.130 4.556 -0.000 0.000 0.361 169 H C -0.587 174.689 175.328 -0.087 0.000 1.194 169 H CA -0.229 55.779 56.048 -0.066 0.000 1.152 169 H CB 2.431 32.159 29.762 -0.057 0.000 1.867 169 H HN 0.550 nan 8.280 nan 0.000 0.561 170 T N 1.856 116.324 114.554 -0.143 0.000 2.909 170 T HA 0.512 4.862 4.350 -0.000 0.000 0.289 170 T C 0.130 174.816 174.700 -0.023 0.000 1.005 170 T CA -0.646 61.378 62.100 -0.126 0.000 1.084 170 T CB -0.146 68.608 68.868 -0.189 0.000 0.975 170 T HN 0.442 nan 8.240 nan 0.000 0.509 171 I N 1.138 121.623 120.570 -0.142 0.000 2.608 171 I HA 0.654 4.824 4.170 -0.000 0.000 0.295 171 I C 0.132 176.209 176.117 -0.065 0.000 1.049 171 I CA -0.976 60.271 61.300 -0.088 0.000 1.063 171 I CB 2.319 40.254 38.000 -0.108 0.000 1.248 171 I HN 0.479 nan 8.210 nan 0.000 0.424 172 S N 2.370 118.108 115.700 0.063 0.000 2.671 172 S HA 0.232 4.702 4.470 -0.000 0.000 0.272 172 S C -0.419 174.354 174.600 0.288 0.000 1.174 172 S CA -0.686 57.593 58.200 0.131 0.000 1.004 172 S CB 0.313 63.568 63.200 0.092 0.000 1.077 172 S HN 0.636 nan 8.310 nan 0.000 0.553 173 D N 1.366 121.911 120.400 0.241 0.000 2.493 173 D HA 0.107 4.747 4.640 -0.000 0.000 0.240 173 D C -0.015 176.343 176.300 0.097 0.000 1.142 173 D CA 0.674 54.767 54.000 0.154 0.000 0.872 173 D CB -0.089 40.761 40.800 0.085 0.000 1.173 173 D HN 0.383 nan 8.370 nan 0.000 0.467 174 R N 1.519 122.032 120.500 0.023 0.000 2.877 174 R HA -0.196 4.144 4.340 -0.000 0.000 0.275 174 R C -0.205 176.163 176.300 0.113 0.000 0.924 174 R CA 0.499 56.636 56.100 0.063 0.000 0.715 174 R CB -0.801 29.549 30.300 0.083 0.000 1.761 174 R HN 0.349 nan 8.270 nan 0.000 0.498 175 R N 0.375 120.948 120.500 0.121 0.000 2.782 175 R HA 0.435 4.775 4.340 -0.000 0.000 0.258 175 R C 0.827 177.202 176.300 0.125 0.000 1.055 175 R CA -0.372 55.804 56.100 0.127 0.000 1.065 175 R CB 0.791 31.163 30.300 0.121 0.000 1.172 175 R HN 0.370 nan 8.270 nan 0.000 0.510 176 G N 0.136 109.012 108.800 0.126 0.000 2.432 176 G HA2 0.333 4.293 3.960 -0.000 0.000 0.239 176 G HA3 0.333 4.293 3.960 -0.000 0.000 0.239 176 G C -0.484 174.485 174.900 0.115 0.000 1.291 176 G CA -0.269 44.902 45.100 0.119 0.000 0.863 176 G HN 0.204 nan 8.290 nan 0.000 0.560 177 V N 3.376 123.340 119.914 0.084 0.000 2.531 177 V HA 0.419 4.539 4.120 -0.000 0.000 0.301 177 V C -0.456 175.652 176.094 0.024 0.000 1.034 177 V CA -1.162 61.191 62.300 0.089 0.000 0.865 177 V CB 1.627 33.504 31.823 0.090 0.000 0.995 177 V HN 0.789 nan 8.190 nan 0.000 0.424 178 N N 4.292 123.026 118.700 0.056 0.000 2.292 178 N HA 0.699 5.439 4.740 -0.000 0.000 0.303 178 N C -1.321 174.164 175.510 -0.043 0.000 1.140 178 N CA -0.601 52.424 53.050 -0.042 0.000 0.788 178 N CB 3.114 41.562 38.487 -0.065 0.000 1.361 178 N HN 0.461 nan 8.380 nan 0.000 0.489 179 L N 2.101 123.261 121.223 -0.104 0.000 2.457 179 L HA 0.339 4.679 4.340 -0.000 0.000 0.252 179 L C -2.325 174.481 176.870 -0.107 0.000 1.132 179 L CA -1.522 53.278 54.840 -0.066 0.000 0.938 179 L CB 1.250 43.285 42.059 -0.039 0.000 1.246 179 L HN 0.232 nan 8.230 nan 0.000 0.476 180 P HA 0.167 nan 4.420 nan 0.000 0.271 180 P C 0.835 178.100 177.300 -0.058 0.000 1.220 180 P CA 0.452 63.448 63.100 -0.173 0.000 0.768 180 P CB 1.438 32.938 31.700 -0.334 0.000 0.848 181 G N 1.481 110.264 108.800 -0.029 0.000 2.137 181 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.237 181 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.237 181 G C -0.104 174.800 174.900 0.005 0.000 1.002 181 G CA -0.193 44.908 45.100 0.002 0.000 0.702 181 G HN 0.704 nan 8.290 nan 0.000 0.515 182 C N -0.089 119.209 119.300 -0.004 0.000 2.634 182 C HA 0.597 5.057 4.460 -0.000 0.000 0.313 182 C C -0.001 174.987 174.990 -0.004 0.000 1.198 182 C CA -1.075 57.947 59.018 0.007 0.000 1.605 182 C CB 1.635 29.385 27.740 0.016 0.000 2.196 182 C HN 0.459 nan 8.230 nan 0.000 0.486 183 D N 1.551 121.958 120.400 0.013 0.000 2.338 183 D HA 0.310 4.950 4.640 -0.000 0.000 0.255 183 D C -0.272 176.033 176.300 0.008 0.000 1.237 183 D CA 0.309 54.313 54.000 0.006 0.000 0.883 183 D CB 0.676 41.489 40.800 0.021 0.000 1.087 183 D HN 0.287 nan 8.370 nan 0.000 0.485 184 V N 3.434 123.309 119.914 -0.066 0.000 2.320 184 V HA 0.064 4.184 4.120 -0.000 0.000 0.265 184 V C 0.850 176.894 176.094 -0.084 0.000 1.048 184 V CA -0.619 61.577 62.300 -0.174 0.000 0.865 184 V CB 0.824 32.417 31.823 -0.382 0.000 1.043 184 V HN 0.532 nan 8.190 nan 0.000 0.474 185 D N 3.510 123.958 120.400 0.080 0.000 2.351 185 D HA -0.145 4.495 4.640 -0.000 0.000 0.216 185 D C 0.669 177.012 176.300 0.071 0.000 0.968 185 D CA 0.345 54.402 54.000 0.094 0.000 0.899 185 D CB -0.197 40.688 40.800 0.141 0.000 0.907 185 D HN 0.487 nan 8.370 nan 0.000 0.514 186 L N 0.856 122.107 121.223 0.047 0.000 2.593 186 L HA 0.092 4.432 4.340 -0.000 0.000 0.287 186 L C -1.747 175.133 176.870 0.017 0.000 1.243 186 L CA -1.175 53.687 54.840 0.036 0.000 0.890 186 L CB -0.146 41.882 42.059 -0.053 0.000 1.134 186 L HN -0.008 nan 8.230 nan 0.000 0.502 187 P HA 0.102 nan 4.420 nan 0.000 0.275 187 P C 0.003 177.327 177.300 0.040 0.000 1.227 187 P CA -0.286 62.835 63.100 0.036 0.000 0.781 187 P CB 1.177 32.903 31.700 0.043 0.000 0.906 188 A N 2.993 125.839 122.820 0.044 0.000 1.855 188 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 188 A C 1.066 178.694 177.584 0.074 0.000 1.191 188 A CA 1.365 53.442 52.037 0.067 0.000 0.613 188 A CB -0.849 18.189 19.000 0.063 0.000 0.829 188 A HN 0.463 nan 8.150 nan 0.000 0.442 189 V N 2.247 122.196 119.914 0.058 0.000 2.284 189 V HA 0.404 4.524 4.120 -0.000 0.000 0.260 189 V C 0.536 176.663 176.094 0.056 0.000 1.084 189 V CA -0.149 62.185 62.300 0.056 0.000 0.894 189 V CB -0.197 31.653 31.823 0.044 0.000 1.119 189 V HN 0.652 nan 8.190 nan 0.000 0.484 190 S N 5.565 121.303 115.700 0.064 0.000 2.617 190 S HA 0.508 4.978 4.470 -0.000 0.000 0.259 190 S C 1.649 176.286 174.600 0.061 0.000 1.301 190 S CA 0.073 58.310 58.200 0.062 0.000 0.984 190 S CB 1.484 64.724 63.200 0.067 0.000 0.954 190 S HN 1.298 nan 8.310 nan 0.000 0.572 191 A N 1.043 123.897 122.820 0.057 0.000 1.917 191 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 191 A C 2.196 179.820 177.584 0.067 0.000 1.182 191 A CA 1.894 53.965 52.037 0.057 0.000 0.633 191 A CB -0.954 18.076 19.000 0.049 0.000 0.819 191 A HN 0.874 nan 8.150 nan 0.000 0.448 192 K N -0.663 119.778 120.400 0.069 0.000 2.097 192 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 192 K C 1.147 177.812 176.600 0.108 0.000 1.050 192 K CA 1.526 57.861 56.287 0.080 0.000 0.938 192 K CB -0.250 32.290 32.500 0.068 0.000 0.718 192 K HN 0.439 nan 8.250 nan 0.000 0.442 193 D N 0.252 120.709 120.400 0.096 0.000 2.219 193 D HA -0.138 4.502 4.640 -0.000 0.000 0.205 193 D C 1.971 178.324 176.300 0.089 0.000 0.970 193 D CA 0.737 54.794 54.000 0.096 0.000 0.851 193 D CB 0.011 40.858 40.800 0.078 0.000 0.943 193 D HN 0.222 nan 8.370 nan 0.000 0.488 194 R N 0.632 121.182 120.500 0.084 0.000 2.066 194 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 194 R C 2.246 178.607 176.300 0.101 0.000 1.131 194 R CA 0.940 57.085 56.100 0.076 0.000 0.955 194 R CB -0.130 30.209 30.300 0.065 0.000 0.851 194 R HN -0.027 nan 8.270 nan 0.000 0.432 195 V N 1.417 121.411 119.914 0.134 0.000 2.295 195 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 195 V C 1.770 178.023 176.094 0.264 0.000 1.049 195 V CA 2.040 64.456 62.300 0.193 0.000 1.024 195 V CB -0.571 31.381 31.823 0.215 0.000 0.648 195 V HN 0.364 nan 8.190 nan 0.000 0.447 196 D N 0.216 120.799 120.400 0.306 0.000 2.133 196 D HA -0.197 4.443 4.640 -0.000 0.000 0.192 196 D C 2.146 178.543 176.300 0.162 0.000 1.001 196 D CA 1.502 55.724 54.000 0.369 0.000 0.844 196 D CB -0.311 40.692 40.800 0.338 0.000 0.944 196 D HN 0.331 nan 8.370 nan 0.000 0.447 197 L N 0.175 121.445 121.223 0.079 0.000 2.046 197 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 197 L C 2.532 179.414 176.870 0.021 0.000 1.077 197 L CA 1.166 56.009 54.840 0.006 0.000 0.747 197 L CB -0.256 41.807 42.059 0.007 0.000 0.896 197 L HN 0.046 nan 8.230 nan 0.000 0.432 198 Q N -1.200 118.637 119.800 0.063 0.000 2.172 198 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 198 Q C 2.000 178.023 176.000 0.037 0.000 0.964 198 Q CA 1.310 57.139 55.803 0.043 0.000 0.855 198 Q CB -0.104 28.669 28.738 0.058 0.000 0.918 198 Q HN 0.389 nan 8.270 nan 0.000 0.444 199 F N 0.677 120.581 119.950 -0.076 0.000 2.126 199 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 199 F C 1.963 177.700 175.800 -0.104 0.000 1.096 199 F CA 1.816 59.729 58.000 -0.146 0.000 1.255 199 F CB -0.592 38.182 39.000 -0.377 0.000 0.997 199 F HN 0.048 nan 8.300 nan 0.000 0.479 200 G N 0.163 108.958 108.800 -0.010 0.000 2.459 200 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 200 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 200 G C 1.736 176.533 174.900 -0.172 0.000 1.183 200 G CA 1.450 46.472 45.100 -0.130 0.000 0.776 200 G HN 0.353 nan 8.290 nan 0.000 0.552 201 V N 0.916 120.758 119.914 -0.120 0.000 2.252 201 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 201 V C 2.690 178.704 176.094 -0.134 0.000 1.056 201 V CA 2.473 64.712 62.300 -0.102 0.000 1.022 201 V CB -0.695 31.092 31.823 -0.061 0.000 0.641 201 V HN 0.492 nan 8.190 nan 0.000 0.445 202 E N -0.511 119.585 120.200 -0.173 0.000 2.106 202 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 202 E C 2.233 178.683 176.600 -0.250 0.000 0.984 202 E CA 0.972 57.258 56.400 -0.190 0.000 0.806 202 E CB -0.121 29.461 29.700 -0.196 0.000 0.750 202 E HN 0.528 nan 8.360 nan 0.000 0.458 203 Q N -0.627 118.943 119.800 -0.383 0.000 2.425 203 Q HA 0.049 4.389 4.340 -0.000 0.000 0.204 203 Q C 0.816 176.691 176.000 -0.208 0.000 0.933 203 Q CA 0.719 56.305 55.803 -0.362 0.000 0.939 203 Q CB 0.982 29.365 28.738 -0.593 0.000 1.044 203 Q HN 0.390 nan 8.270 nan 0.000 0.513 204 G N 1.507 110.203 108.800 -0.173 0.000 2.256 204 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.272 204 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.272 204 G C 0.381 175.219 174.900 -0.104 0.000 1.076 204 G CA 0.308 45.338 45.100 -0.117 0.000 0.882 204 G HN 0.323 nan 8.290 nan 0.000 0.497 205 V N -3.087 116.756 119.914 -0.118 0.000 3.376 205 V HA 0.585 4.705 4.120 -0.000 0.000 0.303 205 V C 1.091 177.129 176.094 -0.094 0.000 1.100 205 V CA 1.107 63.342 62.300 -0.108 0.000 1.126 205 V CB 0.929 32.670 31.823 -0.136 0.000 1.085 205 V HN 0.196 nan 8.190 nan 0.000 0.480 206 D N 0.773 121.117 120.400 -0.093 0.000 2.422 206 D HA 0.257 4.897 4.640 -0.000 0.000 0.218 206 D C 0.533 176.798 176.300 -0.059 0.000 1.047 206 D CA 0.850 54.812 54.000 -0.064 0.000 0.885 206 D CB 0.303 41.075 40.800 -0.046 0.000 1.035 206 D HN 0.776 nan 8.370 nan 0.000 0.502 207 M N -0.218 119.319 119.600 -0.104 0.000 2.520 207 M HA 0.403 4.883 4.480 -0.000 0.000 0.280 207 M C -1.960 174.234 176.300 -0.177 0.000 1.232 207 M CA -0.932 54.318 55.300 -0.083 0.000 0.892 207 M CB 2.328 34.935 32.600 0.012 0.000 1.728 207 M HN -0.379 nan 8.290 nan 0.000 0.475 208 I N 2.594 123.120 120.570 -0.074 0.000 2.392 208 I HA 0.426 4.596 4.170 -0.000 0.000 0.295 208 I C -1.032 175.185 176.117 0.167 0.000 0.985 208 I CA -0.495 60.757 61.300 -0.079 0.000 1.221 208 I CB 1.076 39.050 38.000 -0.044 0.000 1.366 208 I HN 0.581 nan 8.210 nan 0.000 0.467 209 F N 4.437 124.338 119.950 -0.081 0.000 2.309 209 F HA 0.447 4.974 4.527 -0.000 0.000 0.366 209 F C 0.835 176.587 175.800 -0.081 0.000 1.104 209 F CA -1.547 56.410 58.000 -0.070 0.000 1.179 209 F CB 0.275 39.237 39.000 -0.063 0.000 1.437 209 F HN 0.442 nan 8.300 nan 0.000 0.528 210 A N 2.431 125.319 122.820 0.114 0.000 2.404 210 A HA 0.508 4.828 4.320 -0.000 0.000 0.273 210 A C 0.503 178.078 177.584 -0.014 0.000 1.144 210 A CA -0.195 51.865 52.037 0.038 0.000 0.806 210 A CB 0.077 19.096 19.000 0.032 0.000 1.080 210 A HN 0.544 nan 8.150 nan 0.000 0.509 211 S N 1.291 116.964 115.700 -0.045 0.000 2.586 211 S HA 0.498 4.968 4.470 -0.000 0.000 0.274 211 S C -0.155 174.393 174.600 -0.087 0.000 1.281 211 S CA -0.213 57.850 58.200 -0.228 0.000 1.035 211 S CB -0.132 62.853 63.200 -0.359 0.000 0.962 211 S HN 0.797 nan 8.310 nan 0.000 0.512 212 F N -0.419 119.537 119.950 0.009 0.000 3.090 212 F HA -0.156 4.371 4.527 -0.000 0.000 0.282 212 F C 0.042 175.837 175.800 -0.009 0.000 0.923 212 F CA -0.315 57.684 58.000 -0.003 0.000 0.977 212 F CB -1.805 37.191 39.000 -0.006 0.000 0.954 212 F HN 0.348 nan 8.300 nan 0.000 0.695 213 I N 1.183 121.806 120.570 0.088 0.000 2.494 213 I HA 0.052 4.222 4.170 -0.000 0.000 0.289 213 I C 1.457 177.599 176.117 0.043 0.000 1.106 213 I CA 0.441 61.775 61.300 0.055 0.000 1.369 213 I CB 0.671 38.682 38.000 0.019 0.000 1.410 213 I HN 0.357 nan 8.210 nan 0.000 0.523 214 R N 2.855 123.377 120.500 0.036 0.000 2.121 214 R HA 0.150 4.490 4.340 -0.000 0.000 0.206 214 R C 0.649 176.944 176.300 -0.008 0.000 1.094 214 R CA 0.263 56.367 56.100 0.008 0.000 1.055 214 R CB 0.051 30.349 30.300 -0.003 0.000 0.964 214 R HN 0.513 nan 8.270 nan 0.000 0.473 215 S N 0.310 116.009 115.700 -0.001 0.000 2.672 215 S HA 0.378 4.848 4.470 -0.000 0.000 0.276 215 S C 0.806 175.405 174.600 -0.002 0.000 1.207 215 S CA -0.346 57.851 58.200 -0.006 0.000 1.002 215 S CB 1.769 64.968 63.200 -0.002 0.000 0.998 215 S HN 0.337 nan 8.310 nan 0.000 0.542 216 A N 0.582 123.398 122.820 -0.006 0.000 1.970 216 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 216 A C 1.879 179.463 177.584 0.001 0.000 1.170 216 A CA 1.005 53.040 52.037 -0.003 0.000 0.645 216 A CB -0.534 18.462 19.000 -0.007 0.000 0.816 216 A HN 0.904 nan 8.150 nan 0.000 0.447 217 E N -0.180 120.020 120.200 0.001 0.000 2.265 217 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 217 E C 1.969 178.574 176.600 0.008 0.000 0.996 217 E CA 1.102 57.505 56.400 0.004 0.000 0.832 217 E CB -0.080 29.621 29.700 0.002 0.000 0.756 217 E HN 0.773 nan 8.360 nan 0.000 0.491 218 Q N -0.263 119.543 119.800 0.011 0.000 2.083 218 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 218 Q C 2.321 178.332 176.000 0.019 0.000 0.969 218 Q CA 1.151 56.965 55.803 0.018 0.000 0.838 218 Q CB 0.205 28.958 28.738 0.024 0.000 0.900 218 Q HN 0.168 nan 8.270 nan 0.000 0.436 219 V N 0.793 120.715 119.914 0.014 0.000 2.317 219 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 219 V C 2.199 178.301 176.094 0.013 0.000 1.065 219 V CA 2.085 64.393 62.300 0.013 0.000 1.049 219 V CB -1.401 30.427 31.823 0.008 0.000 0.651 219 V HN 0.576 nan 8.190 nan 0.000 0.450 220 G N 0.329 109.135 108.800 0.011 0.000 2.586 220 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 220 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 220 G C 1.170 176.078 174.900 0.013 0.000 1.216 220 G CA 1.240 46.347 45.100 0.011 0.000 0.786 220 G HN 0.560 nan 8.290 nan 0.000 0.583 221 D N 0.265 120.674 120.400 0.016 0.000 2.203 221 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 221 D C 2.663 178.975 176.300 0.020 0.000 0.997 221 D CA 1.056 55.068 54.000 0.020 0.000 0.863 221 D CB -0.561 40.254 40.800 0.023 0.000 0.928 221 D HN 0.270 nan 8.370 nan 0.000 0.458 222 V N 0.978 120.904 119.914 0.020 0.000 2.244 222 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 222 V C 2.655 178.756 176.094 0.011 0.000 1.042 222 V CA 1.823 64.133 62.300 0.017 0.000 1.006 222 V CB -0.527 31.306 31.823 0.017 0.000 0.641 222 V HN 0.114 nan 8.190 nan 0.000 0.446 223 R N 0.336 120.842 120.500 0.010 0.000 2.096 223 R HA -0.236 4.104 4.340 -0.000 0.000 0.240 223 R C 2.454 178.759 176.300 0.008 0.000 1.139 223 R CA 2.145 58.249 56.100 0.007 0.000 0.952 223 R CB -0.351 29.953 30.300 0.008 0.000 0.854 223 R HN 0.393 nan 8.270 nan 0.000 0.436 224 K N -0.297 120.109 120.400 0.010 0.000 2.057 224 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 224 K C 1.865 178.473 176.600 0.013 0.000 1.049 224 K CA 1.430 57.724 56.287 0.011 0.000 0.931 224 K CB -0.120 32.388 32.500 0.013 0.000 0.714 224 K HN 0.331 nan 8.250 nan 0.000 0.440 225 A N 0.985 123.815 122.820 0.016 0.000 2.014 225 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 225 A C 2.065 179.658 177.584 0.014 0.000 1.163 225 A CA 0.731 52.780 52.037 0.020 0.000 0.652 225 A CB -0.301 18.714 19.000 0.026 0.000 0.808 225 A HN 0.252 nan 8.150 nan 0.000 0.449 226 L N -1.114 120.113 121.223 0.006 0.000 2.027 226 L HA 0.101 4.441 4.340 -0.000 0.000 0.206 226 L C 1.563 178.432 176.870 -0.002 0.000 1.074 226 L CA 0.959 55.797 54.840 -0.003 0.000 0.745 226 L CB -0.721 41.332 42.059 -0.009 0.000 0.898 226 L HN 0.659 nan 8.230 nan 0.000 0.433 227 G N -1.437 107.364 108.800 0.002 0.000 2.757 227 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.638 227 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.638 227 G C -2.080 172.821 174.900 0.000 0.000 1.344 227 G CA -0.279 44.823 45.100 0.003 0.000 0.855 227 G HN 0.067 nan 8.290 nan 0.000 0.537 228 P HA -0.077 nan 4.420 nan 0.000 0.216 228 P C 1.519 178.817 177.300 -0.003 0.000 1.153 228 P CA 1.682 64.783 63.100 0.001 0.000 0.848 228 P CB -0.022 31.680 31.700 0.003 0.000 0.787 229 K N -0.600 119.796 120.400 -0.005 0.000 2.360 229 K HA -0.013 4.307 4.320 -0.000 0.000 0.201 229 K C 1.626 178.215 176.600 -0.017 0.000 1.046 229 K CA 1.187 57.468 56.287 -0.011 0.000 0.945 229 K CB -0.436 32.055 32.500 -0.015 0.000 0.750 229 K HN 0.183 nan 8.250 nan 0.000 0.464 230 G N 0.850 109.641 108.800 -0.016 0.000 4.222 230 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.301 230 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.301 230 G C 0.711 175.604 174.900 -0.012 0.000 1.171 230 G CA -0.474 44.614 45.100 -0.021 0.000 0.937 230 G HN 0.134 nan 8.290 nan 0.000 0.557 231 R N -0.283 120.213 120.500 -0.007 0.000 2.189 231 R HA 0.020 4.360 4.340 -0.000 0.000 0.218 231 R C 0.386 176.686 176.300 0.001 0.000 1.074 231 R CA 1.033 57.133 56.100 -0.001 0.000 0.991 231 R CB 0.035 30.337 30.300 0.002 0.000 0.883 231 R HN 0.085 nan 8.270 nan 0.000 0.457 232 D N 0.724 121.123 120.400 -0.002 0.000 2.339 232 D HA 0.168 4.808 4.640 -0.000 0.000 0.217 232 D C 0.263 176.562 176.300 -0.001 0.000 1.050 232 D CA 0.080 54.081 54.000 0.002 0.000 0.856 232 D CB 0.326 41.129 40.800 0.003 0.000 0.922 232 D HN 0.241 nan 8.370 nan 0.000 0.518 233 I N 1.637 122.202 120.570 -0.009 0.000 2.416 233 I HA 0.047 4.217 4.170 -0.000 0.000 0.288 233 I C 0.831 176.947 176.117 -0.002 0.000 1.051 233 I CA -0.145 61.146 61.300 -0.016 0.000 1.375 233 I CB 0.991 38.971 38.000 -0.034 0.000 1.407 233 I HN -0.304 nan 8.210 nan 0.000 0.516 234 M N 6.982 126.586 119.600 0.007 0.000 2.217 234 M HA 0.268 4.748 4.480 -0.000 0.000 0.352 234 M C -0.324 176.001 176.300 0.042 0.000 1.376 234 M CA 0.143 55.461 55.300 0.029 0.000 1.107 234 M CB 0.525 33.152 32.600 0.045 0.000 1.723 234 M HN 0.404 nan 8.290 nan 0.000 0.461 235 I N 5.292 125.887 120.570 0.042 0.000 2.291 235 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 235 I C -0.333 175.824 176.117 0.068 0.000 1.050 235 I CA -0.514 60.817 61.300 0.052 0.000 1.245 235 I CB 0.579 38.597 38.000 0.029 0.000 1.405 235 I HN 0.432 nan 8.210 nan 0.000 0.478 236 I N 6.119 126.765 120.570 0.128 0.000 2.291 236 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 236 I C 0.169 176.296 176.117 0.016 0.000 1.050 236 I CA -0.414 60.931 61.300 0.075 0.000 1.245 236 I CB 0.847 38.907 38.000 0.100 0.000 1.405 236 I HN 0.523 nan 8.210 nan 0.000 0.478 237 C N 6.722 126.006 119.300 -0.027 0.000 2.499 237 C HA 0.217 4.677 4.460 -0.000 0.000 0.386 237 C C 1.005 175.938 174.990 -0.094 0.000 1.293 237 C CA -0.820 58.174 59.018 -0.040 0.000 1.884 237 C CB -0.514 27.212 27.740 -0.025 0.000 2.509 237 C HN 0.587 nan 8.230 nan 0.000 0.566 238 K N 3.722 124.056 120.400 -0.109 0.000 2.258 238 K HA 0.414 4.734 4.320 -0.000 0.000 0.284 238 K C -0.362 176.169 176.600 -0.114 0.000 1.051 238 K CA -0.160 56.035 56.287 -0.153 0.000 0.923 238 K CB 0.569 32.948 32.500 -0.201 0.000 1.046 238 K HN 0.493 nan 8.250 nan 0.000 0.474 239 I N 3.510 124.025 120.570 -0.091 0.000 2.297 239 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 239 I C 0.691 176.787 176.117 -0.034 0.000 1.033 239 I CA 0.259 61.532 61.300 -0.045 0.000 1.253 239 I CB 0.914 38.896 38.000 -0.030 0.000 1.396 239 I HN 0.786 nan 8.210 nan 0.000 0.476 240 E N 3.921 124.124 120.200 0.005 0.000 2.514 240 E HA 0.055 4.405 4.350 -0.000 0.000 0.215 240 E C -0.354 176.332 176.600 0.142 0.000 0.946 240 E CA 0.055 56.485 56.400 0.050 0.000 1.038 240 E CB 0.692 30.376 29.700 -0.027 0.000 1.069 240 E HN 0.821 nan 8.360 nan 0.000 0.503 241 N N -1.998 116.781 118.700 0.132 0.000 2.732 241 N HA 0.032 4.772 4.740 -0.000 0.000 0.259 241 N C 0.259 175.844 175.510 0.125 0.000 1.402 241 N CA -0.628 52.508 53.050 0.143 0.000 0.829 241 N CB 0.175 38.755 38.487 0.156 0.000 1.495 241 N HN -0.035 nan 8.380 nan 0.000 0.511 242 H N -1.640 117.438 119.070 0.013 0.000 2.457 242 H HA 0.058 4.614 4.556 -0.000 0.000 0.294 242 H C 0.777 176.106 175.328 0.003 0.000 1.064 242 H CA 1.297 57.347 56.048 0.004 0.000 1.330 242 H CB 0.103 29.862 29.762 -0.005 0.000 1.395 242 H HN 0.524 nan 8.280 nan 0.000 0.541 243 Q N 0.991 120.508 119.800 -0.471 0.000 2.135 243 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 243 Q C 2.662 178.575 176.000 -0.146 0.000 0.981 243 Q CA 1.727 57.320 55.803 -0.350 0.000 0.856 243 Q CB -0.529 28.071 28.738 -0.230 0.000 0.902 243 Q HN 0.716 nan 8.270 nan 0.000 0.425 244 G N -0.684 108.076 108.800 -0.067 0.000 2.430 244 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 244 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 244 G C 1.417 176.304 174.900 -0.020 0.000 1.146 244 G CA 0.527 45.612 45.100 -0.024 0.000 0.793 244 G HN 0.260 nan 8.290 nan 0.000 0.537 245 V N 0.226 120.135 119.914 -0.008 0.000 2.515 245 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 245 V C 2.802 178.890 176.094 -0.010 0.000 1.058 245 V CA 1.877 64.179 62.300 0.003 0.000 1.064 245 V CB -0.286 31.558 31.823 0.034 0.000 0.675 245 V HN 0.380 nan 8.190 nan 0.000 0.461 246 Q N 0.043 119.822 119.800 -0.034 0.000 2.016 246 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 246 Q C 1.597 177.576 176.000 -0.036 0.000 0.978 246 Q CA 1.390 57.170 55.803 -0.039 0.000 0.833 246 Q CB -0.089 28.604 28.738 -0.075 0.000 0.895 246 Q HN 0.577 nan 8.270 nan 0.000 0.427 247 N N 0.728 119.402 118.700 -0.044 0.000 2.421 247 N HA -0.038 4.702 4.740 -0.000 0.000 0.201 247 N C 1.197 176.692 175.510 -0.025 0.000 1.198 247 N CA 0.103 53.132 53.050 -0.034 0.000 0.838 247 N CB 0.214 38.678 38.487 -0.037 0.000 1.011 247 N HN 0.208 nan 8.380 nan 0.000 0.463 248 I N 1.622 122.179 120.570 -0.023 0.000 2.185 248 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 248 I C 1.542 177.648 176.117 -0.020 0.000 1.088 248 I CA 1.627 62.915 61.300 -0.020 0.000 1.347 248 I CB -0.147 37.843 38.000 -0.017 0.000 1.041 248 I HN 0.004 nan 8.210 nan 0.000 0.415 249 D N -0.029 120.359 120.400 -0.020 0.000 2.088 249 D HA -0.175 4.465 4.640 -0.000 0.000 0.191 249 D C 2.488 178.776 176.300 -0.019 0.000 0.992 249 D CA 2.137 56.125 54.000 -0.021 0.000 0.831 249 D CB -0.408 40.379 40.800 -0.022 0.000 0.973 249 D HN 0.524 nan 8.370 nan 0.000 0.447 250 S N -0.207 115.481 115.700 -0.019 0.000 2.419 250 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 250 S C 2.276 176.868 174.600 -0.014 0.000 1.016 250 S CA 0.591 58.781 58.200 -0.017 0.000 0.974 250 S CB -0.486 62.704 63.200 -0.017 0.000 0.786 250 S HN 0.268 nan 8.310 nan 0.000 0.492 251 I N 1.353 121.914 120.570 -0.015 0.000 2.233 251 I HA -0.080 4.090 4.170 -0.000 0.000 0.243 251 I C 2.422 178.532 176.117 -0.012 0.000 1.093 251 I CA 1.091 62.384 61.300 -0.012 0.000 1.380 251 I CB -0.360 37.632 38.000 -0.014 0.000 1.067 251 I HN 0.238 nan 8.210 nan 0.000 0.413 252 I N 0.942 121.503 120.570 -0.014 0.000 2.127 252 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 252 I C 2.570 178.681 176.117 -0.009 0.000 1.075 252 I CA 1.865 63.157 61.300 -0.013 0.000 1.334 252 I CB -0.490 37.500 38.000 -0.016 0.000 1.040 252 I HN 0.306 nan 8.210 nan 0.000 0.405 253 E N 1.024 121.217 120.200 -0.011 0.000 2.393 253 E HA -0.250 4.100 4.350 -0.000 0.000 0.201 253 E C 1.734 178.331 176.600 -0.005 0.000 1.025 253 E CA 1.455 57.849 56.400 -0.010 0.000 0.856 253 E CB 0.025 29.717 29.700 -0.014 0.000 0.771 253 E HN 0.438 nan 8.360 nan 0.000 0.526 254 E N -0.371 119.827 120.200 -0.004 0.000 2.485 254 E HA 0.102 4.452 4.350 -0.000 0.000 0.213 254 E C 0.269 176.871 176.600 0.002 0.000 0.923 254 E CA 0.578 56.977 56.400 -0.001 0.000 1.054 254 E CB 0.840 30.539 29.700 -0.002 0.000 1.077 254 E HN 0.286 nan 8.360 nan 0.000 0.509 255 S N -0.262 115.439 115.700 0.002 0.000 2.767 255 S HA 0.295 4.765 4.470 -0.000 0.000 0.300 255 S C 0.550 175.155 174.600 0.009 0.000 1.123 255 S CA -0.595 57.608 58.200 0.006 0.000 0.992 255 S CB 1.620 64.820 63.200 0.001 0.000 1.138 255 S HN -0.183 nan 8.310 nan 0.000 0.550 256 D N 0.002 120.411 120.400 0.016 0.000 2.367 256 D HA 0.336 4.976 4.640 -0.000 0.000 0.207 256 D C 0.774 177.085 176.300 0.019 0.000 1.034 256 D CA 0.781 54.794 54.000 0.022 0.000 0.861 256 D CB 0.713 41.532 40.800 0.031 0.000 0.943 256 D HN 0.781 nan 8.370 nan 0.000 0.515 257 G N 0.177 108.981 108.800 0.007 0.000 2.322 257 G HA2 0.384 4.344 3.960 -0.000 0.000 0.295 257 G HA3 0.384 4.344 3.960 -0.000 0.000 0.295 257 G C -2.013 172.863 174.900 -0.040 0.000 1.369 257 G CA -0.627 44.467 45.100 -0.010 0.000 0.821 257 G HN -0.070 nan 8.290 nan 0.000 0.536 258 I N 0.611 121.140 120.570 -0.069 0.000 2.619 258 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 258 I C -0.394 175.636 176.117 -0.146 0.000 1.100 258 I CA -0.654 60.591 61.300 -0.092 0.000 1.043 258 I CB 1.948 39.912 38.000 -0.059 0.000 1.239 258 I HN 0.684 nan 8.210 nan 0.000 0.420 259 M N 5.918 125.409 119.600 -0.183 0.000 2.383 259 M HA 0.524 5.004 4.480 -0.000 0.000 0.325 259 M C -1.448 174.769 176.300 -0.138 0.000 1.092 259 M CA -0.724 54.447 55.300 -0.216 0.000 0.961 259 M CB 1.887 34.282 32.600 -0.342 0.000 1.672 259 M HN 0.269 nan 8.290 nan 0.000 0.438 260 V N 4.795 124.646 119.914 -0.105 0.000 2.259 260 V HA 0.353 4.473 4.120 -0.000 0.000 0.267 260 V C 0.487 176.546 176.094 -0.058 0.000 1.051 260 V CA -0.639 61.622 62.300 -0.065 0.000 0.830 260 V CB 0.365 32.164 31.823 -0.040 0.000 1.080 260 V HN 0.912 nan 8.190 nan 0.000 0.467 261 A N 4.750 127.533 122.820 -0.063 0.000 3.026 261 A HA 0.294 4.614 4.320 -0.000 0.000 0.272 261 A C 1.624 179.199 177.584 -0.014 0.000 1.782 261 A CA -0.274 51.733 52.037 -0.050 0.000 1.451 261 A CB -0.431 18.521 19.000 -0.079 0.000 1.081 261 A HN 0.842 nan 8.150 nan 0.000 0.611 262 R N 1.293 121.789 120.500 -0.008 0.000 2.136 262 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 262 R C 2.398 178.710 176.300 0.020 0.000 1.131 262 R CA 2.252 58.357 56.100 0.007 0.000 0.937 262 R CB -0.847 29.457 30.300 0.006 0.000 0.863 262 R HN 0.655 nan 8.270 nan 0.000 0.435 263 G N 0.887 109.700 108.800 0.022 0.000 2.556 263 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 263 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 263 G C 0.871 175.804 174.900 0.055 0.000 1.156 263 G CA 1.651 46.773 45.100 0.036 0.000 0.766 263 G HN 0.362 nan 8.290 nan 0.000 0.583 264 D N 0.092 120.528 120.400 0.060 0.000 2.240 264 D HA 0.046 4.686 4.640 -0.000 0.000 0.206 264 D C 2.696 179.055 176.300 0.098 0.000 0.963 264 D CA 0.125 54.185 54.000 0.100 0.000 0.863 264 D CB 0.025 40.897 40.800 0.120 0.000 0.973 264 D HN 0.307 nan 8.370 nan 0.000 0.501 265 L N 1.164 122.427 121.223 0.067 0.000 2.046 265 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 265 L C 2.553 179.456 176.870 0.055 0.000 1.077 265 L CA 1.434 56.311 54.840 0.062 0.000 0.747 265 L CB -0.656 41.428 42.059 0.042 0.000 0.896 265 L HN 0.075 nan 8.230 nan 0.000 0.432 266 G N -0.987 107.843 108.800 0.049 0.000 2.708 266 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.210 266 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.210 266 G C 1.495 176.432 174.900 0.063 0.000 1.141 266 G CA 0.374 45.501 45.100 0.044 0.000 0.788 266 G HN 0.195 nan 8.290 nan 0.000 0.531 267 V N 1.103 121.067 119.914 0.085 0.000 2.358 267 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 267 V C 2.344 178.536 176.094 0.164 0.000 1.047 267 V CA 2.241 64.621 62.300 0.133 0.000 1.035 267 V CB -0.213 31.694 31.823 0.140 0.000 0.658 267 V HN 0.712 nan 8.190 nan 0.000 0.452 268 E N -1.003 119.232 120.200 0.059 0.000 2.601 268 E HA 0.308 4.658 4.350 -0.000 0.000 0.219 268 E C 0.088 176.671 176.600 -0.028 0.000 0.964 268 E CA -0.089 56.306 56.400 -0.008 0.000 1.050 268 E CB 0.524 30.111 29.700 -0.189 0.000 1.068 268 E HN 0.471 nan 8.360 nan 0.000 0.496 269 I N 2.848 123.419 120.570 0.001 0.000 2.378 269 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 269 I C -2.456 173.666 176.117 0.008 0.000 0.992 269 I CA -2.793 58.503 61.300 -0.007 0.000 1.154 269 I CB 1.592 39.598 38.000 0.010 0.000 1.315 269 I HN -0.253 nan 8.210 nan 0.000 0.448 270 P HA -0.003 nan 4.420 nan 0.000 0.265 270 P C 0.436 177.740 177.300 0.006 0.000 1.193 270 P CA 0.056 63.157 63.100 0.002 0.000 0.765 270 P CB 0.883 32.580 31.700 -0.004 0.000 0.823 271 A N 4.287 127.110 122.820 0.006 0.000 1.978 271 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 271 A C 1.917 179.505 177.584 0.007 0.000 1.170 271 A CA 1.681 53.723 52.037 0.008 0.000 0.636 271 A CB -0.925 18.078 19.000 0.004 0.000 0.810 271 A HN 0.689 nan 8.150 nan 0.000 0.448 272 E N 0.530 120.733 120.200 0.004 0.000 2.150 272 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 272 E C 1.584 178.188 176.600 0.006 0.000 0.985 272 E CA 1.513 57.916 56.400 0.005 0.000 0.814 272 E CB -0.369 29.332 29.700 0.002 0.000 0.752 272 E HN 0.637 nan 8.360 nan 0.000 0.466 273 K N 0.607 121.011 120.400 0.006 0.000 2.296 273 K HA 0.047 4.366 4.320 -0.000 0.000 0.200 273 K C 2.185 178.792 176.600 0.012 0.000 1.048 273 K CA 0.704 56.996 56.287 0.008 0.000 0.966 273 K CB 0.241 32.745 32.500 0.005 0.000 0.754 273 K HN -0.025 nan 8.250 nan 0.000 0.466 274 V N 0.834 120.756 119.914 0.013 0.000 2.427 274 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 274 V C 2.152 178.254 176.094 0.015 0.000 1.051 274 V CA 1.322 63.632 62.300 0.016 0.000 1.048 274 V CB -0.266 31.567 31.823 0.017 0.000 0.666 274 V HN 0.061 nan 8.190 nan 0.000 0.456 275 V N -0.266 119.657 119.914 0.014 0.000 2.343 275 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 275 V C 2.420 178.524 176.094 0.018 0.000 1.051 275 V CA 1.929 64.240 62.300 0.017 0.000 1.036 275 V CB -0.345 31.488 31.823 0.017 0.000 0.654 275 V HN 0.415 nan 8.190 nan 0.000 0.451 276 V N 0.160 120.083 119.914 0.014 0.000 2.307 276 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 276 V C 2.727 178.828 176.094 0.012 0.000 1.045 276 V CA 1.858 64.166 62.300 0.012 0.000 1.024 276 V CB -1.145 30.683 31.823 0.008 0.000 0.651 276 V HN 0.556 nan 8.190 nan 0.000 0.449 277 A N -0.769 122.058 122.820 0.013 0.000 1.903 277 A HA -0.387 3.933 4.320 -0.000 0.000 0.219 277 A C 2.247 179.837 177.584 0.009 0.000 1.191 277 A CA 2.567 54.612 52.037 0.012 0.000 0.638 277 A CB -0.679 18.331 19.000 0.017 0.000 0.823 277 A HN 0.620 nan 8.150 nan 0.000 0.451 278 Q N -0.455 119.352 119.800 0.012 0.000 2.030 278 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 278 Q C 2.119 178.130 176.000 0.018 0.000 0.986 278 Q CA 2.123 57.933 55.803 0.012 0.000 0.843 278 Q CB -0.175 28.573 28.738 0.016 0.000 0.904 278 Q HN 0.702 nan 8.270 nan 0.000 0.420 279 K N -0.046 120.368 120.400 0.023 0.000 2.074 279 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 279 K C 2.087 178.694 176.600 0.012 0.000 1.048 279 K CA 1.625 57.928 56.287 0.027 0.000 0.926 279 K CB -0.185 32.329 32.500 0.024 0.000 0.713 279 K HN 0.305 nan 8.250 nan 0.000 0.444 280 I N 0.961 121.533 120.570 0.004 0.000 2.163 280 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 280 I C 2.271 178.384 176.117 -0.007 0.000 1.081 280 I CA 1.058 62.355 61.300 -0.006 0.000 1.353 280 I CB -0.311 37.686 38.000 -0.005 0.000 1.054 280 I HN 0.107 nan 8.210 nan 0.000 0.407 281 L N 0.458 121.680 121.223 -0.003 0.000 2.046 281 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 281 L C 2.587 179.454 176.870 -0.005 0.000 1.077 281 L CA 1.812 56.648 54.840 -0.008 0.000 0.747 281 L CB -0.558 41.494 42.059 -0.011 0.000 0.896 281 L HN 0.294 nan 8.230 nan 0.000 0.432 282 I N -0.788 119.786 120.570 0.007 0.000 2.133 282 I HA -0.273 3.897 4.170 -0.000 0.000 0.238 282 I C 2.688 178.821 176.117 0.026 0.000 1.074 282 I CA 1.198 62.512 61.300 0.024 0.000 1.342 282 I CB -0.246 37.782 38.000 0.047 0.000 1.053 282 I HN 0.107 nan 8.210 nan 0.000 0.404 283 S N 0.154 115.862 115.700 0.014 0.000 2.419 283 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 283 S C 1.946 176.522 174.600 -0.041 0.000 1.016 283 S CA 1.218 59.404 58.200 -0.023 0.000 0.974 283 S CB -0.136 63.030 63.200 -0.056 0.000 0.786 283 S HN 0.291 nan 8.310 nan 0.000 0.492 284 K N 0.002 120.385 120.400 -0.029 0.000 2.097 284 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 284 K C 2.238 178.821 176.600 -0.029 0.000 1.050 284 K CA 1.278 57.545 56.287 -0.033 0.000 0.938 284 K CB -0.256 32.228 32.500 -0.026 0.000 0.718 284 K HN 0.376 nan 8.250 nan 0.000 0.442 285 C N 0.825 120.114 119.300 -0.017 0.000 2.440 285 C HA -0.038 4.422 4.460 -0.000 0.000 0.278 285 C C 2.136 177.122 174.990 -0.007 0.000 1.295 285 C CA 0.670 59.682 59.018 -0.011 0.000 1.738 285 C CB -1.200 26.537 27.740 -0.005 0.000 1.987 285 C HN 0.533 nan 8.230 nan 0.000 0.492 286 N N 0.508 119.209 118.700 0.002 0.000 2.120 286 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 286 N C 1.504 176.980 175.510 -0.056 0.000 1.024 286 N CA 1.056 54.114 53.050 0.013 0.000 0.852 286 N CB -0.168 38.360 38.487 0.067 0.000 1.003 286 N HN 0.257 nan 8.380 nan 0.000 0.424 287 V N 0.660 120.524 119.914 -0.083 0.000 2.667 287 V HA -0.078 4.042 4.120 -0.000 0.000 0.252 287 V C 2.042 178.087 176.094 -0.082 0.000 1.065 287 V CA 1.534 63.766 62.300 -0.113 0.000 1.083 287 V CB -0.489 31.270 31.823 -0.106 0.000 0.692 287 V HN 0.370 nan 8.190 nan 0.000 0.468 288 A N -0.832 121.958 122.820 -0.050 0.000 1.930 288 A HA 0.286 4.606 4.320 -0.000 0.000 0.215 288 A C 2.102 179.676 177.584 -0.017 0.000 1.176 288 A CA 1.474 53.494 52.037 -0.028 0.000 0.632 288 A CB -0.421 18.567 19.000 -0.019 0.000 0.819 288 A HN 1.227 nan 8.150 nan 0.000 0.445 289 G N -1.485 107.303 108.800 -0.020 0.000 2.176 289 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.232 289 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.232 289 G C 0.145 175.057 174.900 0.021 0.000 0.986 289 G CA 0.427 45.528 45.100 0.001 0.000 0.643 289 G HN 0.578 nan 8.290 nan 0.000 0.522 290 K N 1.749 122.157 120.400 0.012 0.000 2.143 290 K HA 0.527 4.847 4.320 -0.000 0.000 0.272 290 K C -2.099 174.509 176.600 0.014 0.000 1.001 290 K CA -1.924 54.372 56.287 0.015 0.000 0.915 290 K CB 1.599 34.103 32.500 0.008 0.000 1.047 290 K HN 0.051 nan 8.250 nan 0.000 0.458 291 P HA -0.034 nan 4.420 nan 0.000 0.269 291 P C -0.940 176.354 177.300 -0.010 0.000 1.209 291 P CA -0.198 62.909 63.100 0.012 0.000 0.776 291 P CB 0.891 32.604 31.700 0.022 0.000 0.876 292 V N 4.255 124.160 119.914 -0.016 0.000 2.841 292 V HA 0.512 4.632 4.120 -0.000 0.000 0.310 292 V C -0.720 175.341 176.094 -0.055 0.000 1.090 292 V CA -1.052 61.224 62.300 -0.040 0.000 0.930 292 V CB 1.799 33.608 31.823 -0.022 0.000 1.014 292 V HN 0.309 nan 8.190 nan 0.000 0.425 293 I N 5.832 126.343 120.570 -0.098 0.000 2.406 293 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 293 I C -0.127 175.935 176.117 -0.090 0.000 0.999 293 I CA -0.444 60.791 61.300 -0.108 0.000 1.124 293 I CB 1.609 39.490 38.000 -0.197 0.000 1.289 293 I HN 0.602 nan 8.210 nan 0.000 0.441 294 C N 5.815 125.081 119.300 -0.057 0.000 2.482 294 C HA 0.582 5.042 4.460 -0.000 0.000 0.378 294 C C 1.415 176.378 174.990 -0.045 0.000 1.284 294 C CA -0.074 58.919 59.018 -0.042 0.000 1.826 294 C CB -0.368 27.357 27.740 -0.024 0.000 2.473 294 C HN 0.987 nan 8.230 nan 0.000 0.562 295 A N 4.727 127.519 122.820 -0.047 0.000 1.941 295 A HA 0.337 4.657 4.320 -0.000 0.000 0.214 295 A C 1.027 178.599 177.584 -0.019 0.000 1.368 295 A CA 1.084 53.091 52.037 -0.050 0.000 0.651 295 A CB -0.696 18.261 19.000 -0.072 0.000 1.064 295 A HN 0.814 nan 8.150 nan 0.000 0.492 296 T N -2.657 111.890 114.554 -0.012 0.000 2.942 296 T HA 0.525 4.875 4.350 -0.000 0.000 0.289 296 T C -0.315 174.388 174.700 0.006 0.000 1.044 296 T CA -0.277 61.825 62.100 0.003 0.000 1.023 296 T CB 1.443 70.316 68.868 0.009 0.000 1.123 296 T HN 0.420 nan 8.240 nan 0.000 0.512 297 Q N -0.200 119.607 119.800 0.011 0.000 2.481 297 Q HA -0.146 4.194 4.340 -0.000 0.000 0.272 297 Q C -0.472 175.528 176.000 0.001 0.000 1.157 297 Q CA 0.443 56.251 55.803 0.008 0.000 0.935 297 Q CB -1.283 27.461 28.738 0.011 0.000 1.338 297 Q HN 0.627 nan 8.270 nan 0.000 0.494 298 M N 0.638 120.238 119.600 -0.000 0.000 2.162 298 M HA 0.155 4.635 4.480 -0.000 0.000 0.356 298 M C 0.868 177.160 176.300 -0.013 0.000 1.303 298 M CA 0.120 55.416 55.300 -0.005 0.000 1.116 298 M CB 0.612 33.211 32.600 -0.002 0.000 1.632 298 M HN 0.341 nan 8.290 nan 0.000 0.469 299 L N 2.339 123.547 121.223 -0.026 0.000 3.739 299 L HA -0.294 4.046 4.340 -0.000 0.000 0.442 299 L C 1.408 178.251 176.870 -0.045 0.000 1.241 299 L CA 0.214 55.024 54.840 -0.049 0.000 0.819 299 L CB -1.382 40.645 42.059 -0.054 0.000 1.679 299 L HN 0.797 nan 8.230 nan 0.000 0.889 300 E N 0.873 121.055 120.200 -0.029 0.000 2.038 300 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 300 E C 1.967 178.557 176.600 -0.016 0.000 1.000 300 E CA 1.870 58.260 56.400 -0.016 0.000 0.803 300 E CB 0.069 29.769 29.700 0.001 0.000 0.750 300 E HN 0.766 nan 8.360 nan 0.000 0.448 301 S N -0.237 115.452 115.700 -0.018 0.000 2.547 301 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 301 S C 1.751 176.342 174.600 -0.015 0.000 0.980 301 S CA 0.553 58.755 58.200 0.004 0.000 0.941 301 S CB -0.093 63.100 63.200 -0.011 0.000 0.763 301 S HN 0.242 nan 8.310 nan 0.000 0.532 302 M N 1.495 121.060 119.600 -0.059 0.000 2.618 302 M HA 0.017 4.497 4.480 -0.000 0.000 0.240 302 M C 1.391 177.662 176.300 -0.048 0.000 1.123 302 M CA 0.583 55.841 55.300 -0.069 0.000 1.060 302 M CB -0.630 31.912 32.600 -0.097 0.000 1.535 302 M HN 0.425 nan 8.290 nan 0.000 0.507 303 T N -0.569 113.904 114.554 -0.135 0.000 2.833 303 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 303 T C 0.756 175.078 174.700 -0.629 0.000 1.054 303 T CA 1.454 63.305 62.100 -0.416 0.000 1.135 303 T CB -0.144 68.395 68.868 -0.549 0.000 0.869 303 T HN 0.497 nan 8.240 nan 0.000 0.466 304 Y N -0.132 120.242 120.300 0.124 0.000 2.610 304 Y HA 0.411 4.961 4.550 -0.000 0.000 0.254 304 Y C 0.317 176.333 175.900 0.192 0.000 1.110 304 Y CA -1.033 57.165 58.100 0.164 0.000 1.238 304 Y CB 0.354 38.867 38.460 0.088 0.000 1.322 304 Y HN 0.063 nan 8.280 nan 0.000 0.547 305 N N 1.798 120.590 118.700 0.153 0.000 2.314 305 N HA 0.217 4.957 4.740 -0.000 0.000 0.304 305 N C -2.152 173.075 175.510 -0.473 0.000 1.073 305 N CA -1.916 51.091 53.050 -0.072 0.000 0.822 305 N CB 1.946 40.399 38.487 -0.055 0.000 1.280 305 N HN -0.234 nan 8.380 nan 0.000 0.489 306 P HA -0.069 nan 4.420 nan 0.000 0.223 306 P C -0.282 176.778 177.300 -0.400 0.000 1.151 306 P CA 1.091 63.598 63.100 -0.989 0.000 0.787 306 P CB 0.658 31.923 31.700 -0.726 0.000 0.788 307 R N 0.123 120.452 120.500 -0.284 0.000 2.670 307 R HA 0.452 4.792 4.340 -0.000 0.000 0.289 307 R C -2.348 173.779 176.300 -0.289 0.000 0.965 307 R CA -2.337 53.614 56.100 -0.248 0.000 0.899 307 R CB 2.010 32.233 30.300 -0.127 0.000 1.173 307 R HN -0.002 nan 8.270 nan 0.000 0.456 308 P HA 0.061 nan 4.420 nan 0.000 0.277 308 P C -0.699 176.472 177.300 -0.214 0.000 1.276 308 P CA -0.307 62.590 63.100 -0.338 0.000 0.788 308 P CB 0.647 32.051 31.700 -0.494 0.000 1.114 309 T N -3.251 111.219 114.554 -0.139 0.000 2.902 309 T HA 0.334 4.684 4.350 -0.000 0.000 0.283 309 T C 1.242 175.905 174.700 -0.061 0.000 1.009 309 T CA -0.598 61.454 62.100 -0.081 0.000 1.051 309 T CB 1.574 70.412 68.868 -0.050 0.000 0.999 309 T HN 0.268 nan 8.240 nan 0.000 0.474 310 R N 2.644 123.124 120.500 -0.032 0.000 2.196 310 R HA -0.237 4.103 4.340 -0.000 0.000 0.244 310 R C 2.440 178.739 176.300 -0.002 0.000 1.121 310 R CA 2.832 58.928 56.100 -0.007 0.000 0.930 310 R CB -1.414 28.889 30.300 0.004 0.000 0.890 310 R HN 0.922 nan 8.270 nan 0.000 0.435 311 A N -0.166 122.651 122.820 -0.004 0.000 1.933 311 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 311 A C 2.161 179.743 177.584 -0.003 0.000 1.175 311 A CA 1.815 53.853 52.037 0.003 0.000 0.628 311 A CB -0.648 18.352 19.000 0.001 0.000 0.814 311 A HN 0.638 nan 8.150 nan 0.000 0.444 312 E N -0.570 119.617 120.200 -0.021 0.000 2.097 312 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 312 E C 1.965 178.549 176.600 -0.026 0.000 1.000 312 E CA 1.555 57.936 56.400 -0.032 0.000 0.804 312 E CB -0.248 29.415 29.700 -0.063 0.000 0.740 312 E HN 0.383 nan 8.360 nan 0.000 0.454 313 V N 0.660 120.558 119.914 -0.027 0.000 2.261 313 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 313 V C 2.467 178.579 176.094 0.031 0.000 1.047 313 V CA 2.028 64.331 62.300 0.004 0.000 1.015 313 V CB -0.639 31.201 31.823 0.028 0.000 0.642 313 V HN 0.428 nan 8.190 nan 0.000 0.446 314 S N -0.004 115.720 115.700 0.040 0.000 2.419 314 S HA -0.265 4.205 4.470 -0.000 0.000 0.233 314 S C 1.775 176.416 174.600 0.067 0.000 1.016 314 S CA 1.898 60.139 58.200 0.068 0.000 0.974 314 S CB -0.553 62.685 63.200 0.063 0.000 0.786 314 S HN 0.669 nan 8.310 nan 0.000 0.492 315 D N 0.975 121.398 120.400 0.038 0.000 2.144 315 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 315 D C 1.788 178.101 176.300 0.020 0.000 0.978 315 D CA 1.250 55.269 54.000 0.032 0.000 0.833 315 D CB -0.231 40.578 40.800 0.016 0.000 0.961 315 D HN 0.351 nan 8.370 nan 0.000 0.470 316 V N 0.757 120.675 119.914 0.006 0.000 2.323 316 V HA -0.129 3.991 4.120 -0.000 0.000 0.244 316 V C 2.652 178.711 176.094 -0.059 0.000 1.041 316 V CA 1.541 63.830 62.300 -0.018 0.000 1.025 316 V CB -1.067 30.749 31.823 -0.011 0.000 0.656 316 V HN 0.305 nan 8.190 nan 0.000 0.451 317 A N 0.967 123.762 122.820 -0.043 0.000 1.859 317 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 317 A C 2.062 179.565 177.584 -0.136 0.000 1.198 317 A CA 2.359 54.317 52.037 -0.131 0.000 0.629 317 A CB -0.819 18.231 19.000 0.083 0.000 0.830 317 A HN 0.606 nan 8.150 nan 0.000 0.446 318 N N 0.102 118.881 118.700 0.131 0.000 2.381 318 N HA -0.046 4.694 4.740 -0.000 0.000 0.182 318 N C 1.830 177.416 175.510 0.127 0.000 1.025 318 N CA 1.165 54.371 53.050 0.261 0.000 0.888 318 N CB -0.392 38.226 38.487 0.217 0.000 0.965 318 N HN 0.520 nan 8.380 nan 0.000 0.438 319 A N 0.938 123.777 122.820 0.030 0.000 1.902 319 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 319 A C 2.543 180.109 177.584 -0.030 0.000 1.181 319 A CA 1.105 53.146 52.037 0.007 0.000 0.623 319 A CB -0.764 18.227 19.000 -0.015 0.000 0.818 319 A HN 0.080 nan 8.150 nan 0.000 0.443 320 V N -0.911 118.919 119.914 -0.141 0.000 2.261 320 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 320 V C 2.361 178.339 176.094 -0.192 0.000 1.047 320 V CA 2.229 64.386 62.300 -0.237 0.000 1.015 320 V CB -0.963 30.623 31.823 -0.395 0.000 0.642 320 V HN 0.567 nan 8.190 nan 0.000 0.446 321 F N 0.812 120.763 119.950 0.002 0.000 2.095 321 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 321 F C 2.237 178.100 175.800 0.105 0.000 1.104 321 F CA 1.801 59.822 58.000 0.034 0.000 1.232 321 F CB -1.379 37.652 39.000 0.052 0.000 0.987 321 F HN 0.223 nan 8.300 nan 0.000 0.475 322 N N -0.664 118.197 118.700 0.269 0.000 2.184 322 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 322 N C 1.320 177.006 175.510 0.293 0.000 1.011 322 N CA 0.982 54.167 53.050 0.225 0.000 0.867 322 N CB -0.332 38.235 38.487 0.134 0.000 0.993 322 N HN 0.448 nan 8.380 nan 0.000 0.433 323 G N -0.589 108.340 108.800 0.214 0.000 2.145 323 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.145 323 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.145 323 G C -0.004 174.951 174.900 0.092 0.000 1.017 323 G CA -0.106 45.117 45.100 0.206 0.000 0.682 323 G HN 0.510 nan 8.290 nan 0.000 0.504 324 A N -0.178 122.660 122.820 0.031 0.000 2.466 324 A HA 0.526 4.846 4.320 -0.000 0.000 0.238 324 A C 1.207 178.779 177.584 -0.020 0.000 1.074 324 A CA 0.976 53.014 52.037 0.003 0.000 0.774 324 A CB 0.362 19.352 19.000 -0.016 0.000 1.015 324 A HN 0.205 nan 8.150 nan 0.000 0.498 325 D N -0.214 120.180 120.400 -0.011 0.000 2.197 325 D HA 0.056 4.696 4.640 -0.000 0.000 0.212 325 D C 0.061 176.352 176.300 -0.015 0.000 0.963 325 D CA 1.286 55.280 54.000 -0.010 0.000 0.864 325 D CB 0.158 40.962 40.800 0.006 0.000 1.009 325 D HN 0.580 nan 8.370 nan 0.000 0.479 326 C N 1.022 120.312 119.300 -0.017 0.000 2.563 326 C HA 0.603 5.063 4.460 -0.000 0.000 0.314 326 C C -0.027 174.950 174.990 -0.021 0.000 1.199 326 C CA -1.176 57.836 59.018 -0.011 0.000 1.564 326 C CB 1.605 29.346 27.740 0.003 0.000 2.173 326 C HN 0.103 nan 8.230 nan 0.000 0.485 327 V N 1.387 121.294 119.914 -0.012 0.000 2.398 327 V HA 0.664 4.784 4.120 -0.000 0.000 0.286 327 V C -0.374 175.724 176.094 0.007 0.000 1.026 327 V CA -0.498 61.795 62.300 -0.011 0.000 0.868 327 V CB 1.264 33.077 31.823 -0.016 0.000 0.982 327 V HN 1.018 nan 8.190 nan 0.000 0.443 328 M N 5.195 124.799 119.600 0.005 0.000 2.528 328 M HA 0.721 5.201 4.480 -0.000 0.000 0.318 328 M C -1.600 174.717 176.300 0.029 0.000 1.195 328 M CA -0.737 54.580 55.300 0.028 0.000 1.000 328 M CB 1.853 34.467 32.600 0.023 0.000 1.615 328 M HN 0.743 nan 8.290 nan 0.000 0.469 329 L N 2.553 123.804 121.223 0.045 0.000 2.406 329 L HA 0.374 4.714 4.340 -0.000 0.000 0.270 329 L C -0.073 176.828 176.870 0.051 0.000 0.982 329 L CA -0.460 54.403 54.840 0.038 0.000 0.843 329 L CB 1.951 44.032 42.059 0.035 0.000 1.225 329 L HN 0.815 nan 8.230 nan 0.000 0.412 330 S N 1.490 117.217 115.700 0.045 0.000 2.215 330 S HA 0.053 4.523 4.470 -0.000 0.000 0.153 330 S C 1.804 176.426 174.600 0.037 0.000 1.352 330 S CA 0.465 58.698 58.200 0.056 0.000 2.310 330 S CB -0.360 62.874 63.200 0.057 0.000 0.348 330 S HN 0.863 nan 8.310 nan 0.000 0.354 331 G N 1.055 109.870 108.800 0.024 0.000 2.550 331 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.222 331 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.222 331 G C 1.100 175.973 174.900 -0.045 0.000 1.113 331 G CA 1.513 46.610 45.100 -0.005 0.000 0.748 331 G HN 0.548 nan 8.290 nan 0.000 0.585 332 E N -0.083 120.092 120.200 -0.042 0.000 2.118 332 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 332 E C 2.850 179.431 176.600 -0.032 0.000 0.992 332 E CA 1.879 58.243 56.400 -0.058 0.000 0.804 332 E CB -0.298 29.385 29.700 -0.029 0.000 0.741 332 E HN 0.643 nan 8.360 nan 0.000 0.458 333 T N -2.829 111.725 114.554 0.000 0.000 3.023 333 T HA 0.380 4.730 4.350 -0.000 0.000 0.249 333 T C 1.976 176.690 174.700 0.023 0.000 1.050 333 T CA 0.265 62.375 62.100 0.018 0.000 1.088 333 T CB -0.004 68.888 68.868 0.038 0.000 0.946 333 T HN 0.134 nan 8.240 nan 0.000 0.480 334 A N 3.570 126.408 122.820 0.029 0.000 1.835 334 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 334 A C 2.051 179.649 177.584 0.023 0.000 1.199 334 A CA 1.850 53.913 52.037 0.044 0.000 0.615 334 A CB -0.445 18.585 19.000 0.051 0.000 0.838 334 A HN 0.725 nan 8.150 nan 0.000 0.444 335 K N -1.070 119.325 120.400 -0.008 0.000 2.506 335 K HA 0.428 4.748 4.320 -0.000 0.000 0.204 335 K C 0.592 177.155 176.600 -0.062 0.000 1.045 335 K CA 0.267 56.545 56.287 -0.014 0.000 1.074 335 K CB 0.180 32.681 32.500 0.001 0.000 0.842 335 K HN 0.328 nan 8.250 nan 0.000 0.514 336 G N 1.072 109.810 108.800 -0.103 0.000 2.562 336 G HA2 0.082 4.042 3.960 -0.000 0.000 0.275 336 G HA3 0.082 4.042 3.960 -0.000 0.000 0.275 336 G C -0.198 174.622 174.900 -0.134 0.000 1.196 336 G CA -0.701 44.281 45.100 -0.197 0.000 0.908 336 G HN 0.215 nan 8.290 nan 0.000 0.524 337 K N -0.991 119.315 120.400 -0.156 0.000 2.379 337 K HA 0.134 4.454 4.320 -0.000 0.000 0.194 337 K C -0.386 175.976 176.600 -0.398 0.000 1.031 337 K CA 0.312 56.468 56.287 -0.218 0.000 1.037 337 K CB 0.125 32.521 32.500 -0.174 0.000 0.824 337 K HN 0.501 nan 8.250 nan 0.000 0.516 338 Y N 0.228 120.504 120.300 -0.040 0.000 2.501 338 Y HA 0.238 4.788 4.550 -0.000 0.000 0.331 338 Y C -2.075 173.820 175.900 -0.010 0.000 0.950 338 Y CA -1.845 56.248 58.100 -0.012 0.000 1.120 338 Y CB 1.355 39.813 38.460 -0.004 0.000 1.154 338 Y HN 0.083 nan 8.280 nan 0.000 0.630 339 P HA -0.105 nan 4.420 nan 0.000 0.219 339 P C 1.010 178.354 177.300 0.073 0.000 1.150 339 P CA 1.327 64.460 63.100 0.056 0.000 0.814 339 P CB 0.707 32.422 31.700 0.025 0.000 0.787 340 N N 0.545 119.292 118.700 0.079 0.000 2.039 340 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 340 N C 1.746 177.314 175.510 0.098 0.000 1.044 340 N CA 1.465 54.562 53.050 0.078 0.000 0.847 340 N CB -0.744 37.786 38.487 0.070 0.000 1.030 340 N HN 0.120 nan 8.380 nan 0.000 0.422 341 E N 0.376 120.657 120.200 0.135 0.000 2.058 341 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 341 E C 2.013 178.704 176.600 0.151 0.000 0.997 341 E CA 0.494 56.982 56.400 0.147 0.000 0.801 341 E CB -0.644 29.157 29.700 0.167 0.000 0.746 341 E HN 0.055 nan 8.360 nan 0.000 0.450 342 V N 0.244 120.231 119.914 0.123 0.000 2.252 342 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 342 V C 2.102 178.257 176.094 0.101 0.000 1.056 342 V CA 1.861 64.215 62.300 0.090 0.000 1.022 342 V CB -0.278 31.574 31.823 0.048 0.000 0.641 342 V HN 0.163 nan 8.190 nan 0.000 0.445 343 V N -0.259 119.705 119.914 0.083 0.000 2.287 343 V HA -0.372 3.748 4.120 -0.000 0.000 0.248 343 V C 2.434 178.575 176.094 0.078 0.000 1.053 343 V CA 2.579 64.921 62.300 0.071 0.000 1.027 343 V CB -0.936 30.922 31.823 0.058 0.000 0.646 343 V HN 0.631 nan 8.190 nan 0.000 0.447 344 Q N -1.219 118.630 119.800 0.082 0.000 2.014 344 Q HA -0.272 4.068 4.340 -0.000 0.000 0.207 344 Q C 2.283 178.324 176.000 0.068 0.000 0.993 344 Q CA 2.431 58.269 55.803 0.058 0.000 0.850 344 Q CB -0.380 28.386 28.738 0.047 0.000 0.916 344 Q HN 0.694 nan 8.270 nan 0.000 0.417 345 Y N 0.570 120.872 120.300 0.003 0.000 2.274 345 Y HA -0.215 4.335 4.550 -0.000 0.000 0.290 345 Y C 2.279 178.173 175.900 -0.011 0.000 1.145 345 Y CA 1.467 59.564 58.100 -0.006 0.000 1.203 345 Y CB -0.104 38.349 38.460 -0.011 0.000 0.984 345 Y HN 0.136 nan 8.280 nan 0.000 0.533 346 M N -0.563 119.152 119.600 0.192 0.000 2.064 346 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 346 M C 2.445 178.779 176.300 0.057 0.000 1.073 346 M CA 2.170 57.531 55.300 0.103 0.000 1.124 346 M CB -0.468 32.169 32.600 0.062 0.000 1.326 346 M HN 0.171 nan 8.290 nan 0.000 0.410 347 A N 0.572 123.416 122.820 0.039 0.000 1.896 347 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 347 A C 2.280 179.855 177.584 -0.014 0.000 1.206 347 A CA 2.483 54.525 52.037 0.008 0.000 0.647 347 A CB -1.130 17.877 19.000 0.012 0.000 0.828 347 A HN 0.656 nan 8.150 nan 0.000 0.455 348 R N -0.790 119.697 120.500 -0.022 0.000 2.127 348 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 348 R C 2.018 178.297 176.300 -0.036 0.000 1.134 348 R CA 1.642 57.705 56.100 -0.061 0.000 0.975 348 R CB -0.377 29.825 30.300 -0.164 0.000 0.865 348 R HN 0.661 nan 8.270 nan 0.000 0.447 349 I N -0.460 120.117 120.570 0.012 0.000 2.193 349 I HA -0.327 3.843 4.170 -0.000 0.000 0.240 349 I C 2.473 178.553 176.117 -0.062 0.000 1.084 349 I CA 0.840 62.147 61.300 0.012 0.000 1.365 349 I CB -0.312 37.723 38.000 0.058 0.000 1.064 349 I HN 0.248 nan 8.210 nan 0.000 0.410 350 C N 0.590 119.844 119.300 -0.076 0.000 2.367 350 C HA -0.236 4.224 4.460 -0.000 0.000 0.276 350 C C 2.749 177.650 174.990 -0.147 0.000 1.195 350 C CA 0.784 59.723 59.018 -0.132 0.000 1.756 350 C CB -1.118 26.561 27.740 -0.102 0.000 2.046 350 C HN 0.485 nan 8.230 nan 0.000 0.453 351 L N 0.633 121.792 121.223 -0.108 0.000 1.997 351 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 351 L C 2.714 179.527 176.870 -0.096 0.000 1.074 351 L CA 2.469 57.243 54.840 -0.109 0.000 0.763 351 L CB -0.639 41.380 42.059 -0.067 0.000 0.890 351 L HN 0.416 nan 8.230 nan 0.000 0.434 352 E N -0.178 119.982 120.200 -0.068 0.000 2.028 352 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 352 E C 2.015 178.591 176.600 -0.040 0.000 0.988 352 E CA 1.636 58.017 56.400 -0.033 0.000 0.799 352 E CB -0.230 29.466 29.700 -0.006 0.000 0.755 352 E HN 0.481 nan 8.360 nan 0.000 0.447 353 A N 0.838 123.580 122.820 -0.129 0.000 1.892 353 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 353 A C 2.284 179.702 177.584 -0.277 0.000 1.188 353 A CA 2.042 53.880 52.037 -0.331 0.000 0.631 353 A CB -0.844 17.745 19.000 -0.686 0.000 0.822 353 A HN 0.440 nan 8.150 nan 0.000 0.447 354 Q N 0.296 119.951 119.800 -0.242 0.000 2.020 354 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 354 Q C 1.633 177.594 176.000 -0.065 0.000 0.982 354 Q CA 1.898 57.586 55.803 -0.191 0.000 0.838 354 Q CB -0.245 28.344 28.738 -0.248 0.000 0.899 354 Q HN 0.712 nan 8.270 nan 0.000 0.423 355 S N -1.180 114.492 115.700 -0.047 0.000 2.967 355 S HA 0.371 4.841 4.470 -0.000 0.000 0.254 355 S C 0.514 175.178 174.600 0.108 0.000 1.089 355 S CA 0.200 58.414 58.200 0.023 0.000 1.183 355 S CB 0.621 63.824 63.200 0.004 0.000 0.848 355 S HN 0.421 nan 8.310 nan 0.000 0.477 356 A N 0.699 123.629 122.820 0.183 0.000 1.999 356 A HA 0.367 4.687 4.320 -0.000 0.000 0.190 356 A C 0.536 178.359 177.584 0.399 0.000 1.737 356 A CA -0.323 51.875 52.037 0.270 0.000 1.257 356 A CB -0.048 19.104 19.000 0.252 0.000 1.401 356 A HN 0.567 nan 8.150 nan 0.000 0.430 357 L N 2.180 123.633 121.223 0.382 0.000 2.667 357 L HA 0.013 4.353 4.340 -0.000 0.000 0.278 357 L C -0.475 176.506 176.870 0.185 0.000 1.217 357 L CA 0.731 55.768 54.840 0.329 0.000 0.935 357 L CB -0.244 41.943 42.059 0.215 0.000 1.193 357 L HN 0.384 nan 8.230 nan 0.000 0.493 358 N N 4.823 123.600 118.700 0.127 0.000 2.434 358 N HA -0.028 4.712 4.740 -0.000 0.000 0.273 358 N C 1.033 176.605 175.510 0.103 0.000 1.210 358 N CA -0.083 52.901 53.050 -0.111 0.000 0.992 358 N CB 0.404 38.796 38.487 -0.159 0.000 1.355 358 N HN 0.551 nan 8.380 nan 0.000 0.495 359 E N 1.907 122.184 120.200 0.127 0.000 2.068 359 E HA -0.311 4.039 4.350 -0.000 0.000 0.207 359 E C 1.061 177.871 176.600 0.352 0.000 1.032 359 E CA 1.555 58.100 56.400 0.242 0.000 0.839 359 E CB -0.619 29.264 29.700 0.305 0.000 0.758 359 E HN 0.762 nan 8.360 nan 0.000 0.457 360 Y N 1.704 122.125 120.300 0.201 0.000 2.139 360 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 360 Y C 2.447 178.404 175.900 0.094 0.000 1.179 360 Y CA 1.470 59.561 58.100 -0.015 0.000 1.161 360 Y CB -0.372 38.045 38.460 -0.070 0.000 0.970 360 Y HN -0.160 nan 8.280 nan 0.000 0.511 361 V N -0.398 119.617 119.914 0.168 0.000 2.332 361 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 361 V C 2.170 178.283 176.094 0.031 0.000 1.055 361 V CA 2.139 64.483 62.300 0.073 0.000 1.038 361 V CB -0.895 31.015 31.823 0.145 0.000 0.651 361 V HN 0.374 nan 8.190 nan 0.000 0.450 362 F N -0.423 119.519 119.950 -0.012 0.000 2.069 362 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 362 F C 2.184 177.952 175.800 -0.052 0.000 1.113 362 F CA 2.226 60.219 58.000 -0.011 0.000 1.214 362 F CB -0.869 38.164 39.000 0.054 0.000 0.978 362 F HN 0.239 nan 8.300 nan 0.000 0.474 363 F N 1.041 121.010 119.950 0.032 0.000 2.065 363 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 363 F C 2.405 178.090 175.800 -0.191 0.000 1.112 363 F CA 2.241 60.203 58.000 -0.063 0.000 1.212 363 F CB -1.073 37.843 39.000 -0.139 0.000 0.975 363 F HN -0.010 nan 8.300 nan 0.000 0.476 364 N N -0.327 117.938 118.700 -0.724 0.000 2.309 364 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 364 N C 1.911 177.138 175.510 -0.472 0.000 1.018 364 N CA 1.201 53.768 53.050 -0.805 0.000 0.876 364 N CB -0.061 37.980 38.487 -0.743 0.000 0.972 364 N HN 0.347 nan 8.380 nan 0.000 0.434 365 S N 0.726 116.215 115.700 -0.351 0.000 2.357 365 S HA 0.053 4.523 4.470 -0.000 0.000 0.221 365 S C 2.043 176.473 174.600 -0.285 0.000 1.031 365 S CA 0.451 58.479 58.200 -0.286 0.000 0.982 365 S CB 0.075 63.091 63.200 -0.307 0.000 0.853 365 S HN 0.266 nan 8.310 nan 0.000 0.458 366 I N 1.467 121.850 120.570 -0.311 0.000 2.163 366 I HA -0.193 3.977 4.170 -0.000 0.000 0.240 366 I C 2.553 178.507 176.117 -0.272 0.000 1.081 366 I CA 1.148 62.262 61.300 -0.310 0.000 1.353 366 I CB -0.325 37.443 38.000 -0.386 0.000 1.054 366 I HN 0.218 nan 8.210 nan 0.000 0.407 367 K N 1.430 121.645 120.400 -0.307 0.000 2.077 367 K HA -0.238 4.082 4.320 -0.000 0.000 0.213 367 K C 1.631 178.146 176.600 -0.141 0.000 1.051 367 K CA 1.671 57.848 56.287 -0.182 0.000 0.929 367 K CB -0.042 32.167 32.500 -0.485 0.000 0.715 367 K HN 0.235 nan 8.250 nan 0.000 0.451 368 K N 0.491 120.776 120.400 -0.192 0.000 2.522 368 K HA 0.022 4.342 4.320 -0.000 0.000 0.194 368 K C 1.062 177.601 176.600 -0.101 0.000 1.026 368 K CA 0.233 56.438 56.287 -0.136 0.000 1.119 368 K CB 0.263 32.677 32.500 -0.145 0.000 0.856 368 K HN 0.242 nan 8.250 nan 0.000 0.513 369 L N 0.632 121.796 121.223 -0.098 0.000 2.906 369 L HA 0.090 4.430 4.340 -0.000 0.000 0.255 369 L C -0.169 176.685 176.870 -0.027 0.000 1.166 369 L CA -0.049 54.750 54.840 -0.070 0.000 0.977 369 L CB 0.670 42.671 42.059 -0.098 0.000 1.313 369 L HN -0.027 nan 8.230 nan 0.000 0.549 370 Q N 0.346 120.141 119.800 -0.007 0.000 2.322 370 Q HA 0.159 4.499 4.340 -0.000 0.000 0.256 370 Q C -0.494 175.541 176.000 0.058 0.000 0.960 370 Q CA -0.394 55.437 55.803 0.046 0.000 0.934 370 Q CB 0.858 29.651 28.738 0.091 0.000 1.200 370 Q HN 0.125 nan 8.270 nan 0.000 0.435 371 H N 2.467 121.534 119.070 -0.005 0.000 3.140 371 H HA 0.028 4.584 4.556 -0.000 0.000 0.316 371 H C -0.605 174.723 175.328 -0.000 0.000 0.986 371 H CA 0.736 56.780 56.048 -0.006 0.000 1.397 371 H CB 0.250 30.008 29.762 -0.006 0.000 1.377 371 H HN 0.541 nan 8.280 nan 0.000 0.585 372 I N 7.714 127.988 120.570 -0.493 0.000 2.441 372 I HA 0.258 4.428 4.170 -0.000 0.000 0.295 372 I C -1.776 174.065 176.117 -0.461 0.000 0.994 372 I CA -2.126 58.976 61.300 -0.330 0.000 1.144 372 I CB 1.859 39.747 38.000 -0.187 0.000 1.314 372 I HN 0.672 nan 8.210 nan 0.000 0.445 373 P HA 0.213 nan 4.420 nan 0.000 0.280 373 P C -0.926 176.356 177.300 -0.030 0.000 1.244 373 P CA -0.442 62.605 63.100 -0.088 0.000 0.784 373 P CB 0.933 32.608 31.700 -0.041 0.000 0.913 374 M N 0.916 120.508 119.600 -0.014 0.000 2.367 374 M HA 0.400 4.880 4.480 -0.000 0.000 0.339 374 M C 0.073 176.383 176.300 0.017 0.000 1.177 374 M CA -0.546 54.769 55.300 0.025 0.000 1.068 374 M CB 1.317 33.937 32.600 0.034 0.000 1.602 374 M HN 0.331 nan 8.290 nan 0.000 0.457 375 S N 2.450 118.167 115.700 0.028 0.000 2.568 375 S HA 0.323 4.793 4.470 -0.000 0.000 0.282 375 S C 1.248 175.847 174.600 -0.002 0.000 1.338 375 S CA -0.171 58.038 58.200 0.015 0.000 1.045 375 S CB 0.862 64.074 63.200 0.020 0.000 0.873 375 S HN 0.921 nan 8.310 nan 0.000 0.516 376 A N 2.462 125.275 122.820 -0.011 0.000 1.940 376 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 376 A C 2.001 179.564 177.584 -0.036 0.000 1.190 376 A CA 2.081 54.104 52.037 -0.024 0.000 0.647 376 A CB -1.206 17.779 19.000 -0.024 0.000 0.821 376 A HN 1.038 nan 8.150 nan 0.000 0.457 377 D N -0.597 119.783 120.400 -0.033 0.000 2.178 377 D HA -0.177 4.463 4.640 -0.000 0.000 0.202 377 D C 1.671 177.948 176.300 -0.039 0.000 0.974 377 D CA 1.503 55.477 54.000 -0.043 0.000 0.841 377 D CB -0.495 40.281 40.800 -0.039 0.000 0.953 377 D HN 0.588 nan 8.370 nan 0.000 0.478 378 E N 1.227 121.416 120.200 -0.018 0.000 2.028 378 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 378 E C 2.224 178.754 176.600 -0.117 0.000 0.988 378 E CA 1.669 58.059 56.400 -0.017 0.000 0.799 378 E CB -0.401 29.329 29.700 0.050 0.000 0.755 378 E HN 0.261 nan 8.360 nan 0.000 0.447 379 A N 0.336 123.109 122.820 -0.079 0.000 1.883 379 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 379 A C 2.536 180.056 177.584 -0.107 0.000 1.186 379 A CA 1.719 53.700 52.037 -0.092 0.000 0.624 379 A CB -1.107 17.863 19.000 -0.050 0.000 0.822 379 A HN 0.259 nan 8.150 nan 0.000 0.444 380 V N -0.975 118.888 119.914 -0.085 0.000 2.568 380 V HA -0.318 3.802 4.120 -0.000 0.000 0.253 380 V C 2.501 178.537 176.094 -0.096 0.000 1.072 380 V CA 2.168 64.422 62.300 -0.077 0.000 1.084 380 V CB -0.690 31.093 31.823 -0.067 0.000 0.676 380 V HN 0.761 nan 8.190 nan 0.000 0.469 381 C N -1.822 117.394 119.300 -0.141 0.000 2.544 381 C HA -0.040 4.420 4.460 -0.000 0.000 0.280 381 C C 3.143 177.974 174.990 -0.264 0.000 1.295 381 C CA 1.032 59.951 59.018 -0.165 0.000 1.702 381 C CB -0.624 27.034 27.740 -0.136 0.000 2.090 381 C HN 0.640 nan 8.230 nan 0.000 0.493 382 S N 1.155 116.544 115.700 -0.520 0.000 2.368 382 S HA -0.215 4.255 4.470 -0.000 0.000 0.226 382 S C 1.997 176.567 174.600 -0.051 0.000 1.044 382 S CA 2.517 60.431 58.200 -0.477 0.000 1.062 382 S CB -0.404 62.503 63.200 -0.488 0.000 0.931 382 S HN 0.627 nan 8.310 nan 0.000 0.440 383 S N 1.449 117.111 115.700 -0.064 0.000 2.356 383 S HA 0.001 4.471 4.470 -0.000 0.000 0.223 383 S C 2.267 176.858 174.600 -0.015 0.000 1.032 383 S CA 1.113 59.310 58.200 -0.004 0.000 1.005 383 S CB -0.956 62.230 63.200 -0.022 0.000 0.867 383 S HN 0.764 nan 8.310 nan 0.000 0.449 384 A N 1.555 124.347 122.820 -0.047 0.000 1.869 384 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 384 A C 2.363 179.909 177.584 -0.063 0.000 1.203 384 A CA 2.137 54.143 52.037 -0.052 0.000 0.638 384 A CB -1.317 17.652 19.000 -0.052 0.000 0.831 384 A HN 0.338 nan 8.150 nan 0.000 0.450 385 V N 1.378 121.252 119.914 -0.067 0.000 2.282 385 V HA -0.369 3.751 4.120 -0.000 0.000 0.249 385 V C 2.498 178.472 176.094 -0.201 0.000 1.057 385 V CA 2.410 64.632 62.300 -0.131 0.000 1.032 385 V CB -1.241 30.534 31.823 -0.081 0.000 0.645 385 V HN 0.825 nan 8.190 nan 0.000 0.447 386 N N -0.056 118.555 118.700 -0.148 0.000 2.094 386 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 386 N C 1.953 177.493 175.510 0.049 0.000 1.023 386 N CA 1.876 54.930 53.050 0.007 0.000 0.857 386 N CB -0.064 38.569 38.487 0.242 0.000 1.013 386 N HN 0.481 nan 8.380 nan 0.000 0.426 387 S N 0.268 115.965 115.700 -0.005 0.000 2.365 387 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 387 S C 2.126 176.684 174.600 -0.069 0.000 1.039 387 S CA 1.325 59.501 58.200 -0.040 0.000 1.033 387 S CB -0.414 62.744 63.200 -0.071 0.000 0.887 387 S HN 0.248 nan 8.310 nan 0.000 0.447 388 V N 0.388 120.235 119.914 -0.111 0.000 2.250 388 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 388 V C 1.940 177.915 176.094 -0.198 0.000 1.060 388 V CA 1.992 64.174 62.300 -0.196 0.000 1.030 388 V CB -0.965 30.662 31.823 -0.326 0.000 0.643 388 V HN 0.513 nan 8.190 nan 0.000 0.445 389 Y N 0.224 120.465 120.300 -0.099 0.000 2.352 389 Y HA -0.111 4.439 4.550 -0.000 0.000 0.292 389 Y C 2.536 178.421 175.900 -0.024 0.000 1.136 389 Y CA 1.398 59.475 58.100 -0.039 0.000 1.227 389 Y CB -0.193 38.285 38.460 0.031 0.000 0.991 389 Y HN 0.354 nan 8.280 nan 0.000 0.545 390 E N -1.078 119.187 120.200 0.108 0.000 2.230 390 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 390 E C 1.671 178.279 176.600 0.014 0.000 0.987 390 E CA 1.431 57.865 56.400 0.058 0.000 0.841 390 E CB 0.058 29.782 29.700 0.041 0.000 0.783 390 E HN 0.475 nan 8.360 nan 0.000 0.481 391 T N -2.259 112.283 114.554 -0.019 0.000 3.023 391 T HA 0.185 4.535 4.350 -0.000 0.000 0.253 391 T C 0.612 175.352 174.700 0.067 0.000 1.038 391 T CA -0.371 61.721 62.100 -0.013 0.000 0.962 391 T CB 0.138 68.900 68.868 -0.178 0.000 1.018 391 T HN -0.068 nan 8.240 nan 0.000 0.521 392 K N 1.265 121.672 120.400 0.012 0.000 3.035 392 K HA -0.138 4.182 4.320 -0.000 0.000 0.262 392 K C 0.393 176.997 176.600 0.007 0.000 1.024 392 K CA 0.128 56.412 56.287 -0.006 0.000 0.748 392 K CB -2.039 30.473 32.500 0.019 0.000 1.247 392 K HN 0.752 nan 8.250 nan 0.000 0.482 393 A N 1.000 123.812 122.820 -0.012 0.000 2.520 393 A HA 0.002 4.322 4.320 -0.000 0.000 0.235 393 A C 1.037 178.586 177.584 -0.057 0.000 1.065 393 A CA 0.458 52.501 52.037 0.010 0.000 0.764 393 A CB 0.279 19.258 19.000 -0.036 0.000 1.002 393 A HN 0.377 nan 8.150 nan 0.000 0.502 394 K N 0.257 120.638 120.400 -0.031 0.000 2.358 394 K HA 0.418 4.738 4.320 -0.000 0.000 0.200 394 K C 0.063 176.589 176.600 -0.123 0.000 1.030 394 K CA 0.865 57.111 56.287 -0.069 0.000 1.097 394 K CB 0.548 33.037 32.500 -0.018 0.000 0.862 394 K HN 0.817 nan 8.250 nan 0.000 0.534 395 A N 0.925 123.684 122.820 -0.101 0.000 2.605 395 A HA 0.617 4.937 4.320 -0.000 0.000 0.294 395 A C -1.279 176.254 177.584 -0.085 0.000 1.062 395 A CA -0.785 51.176 52.037 -0.127 0.000 0.682 395 A CB 1.261 20.242 19.000 -0.031 0.000 1.278 395 A HN -0.036 nan 8.150 nan 0.000 0.410 396 M N 1.075 120.617 119.600 -0.096 0.000 2.578 396 M HA 0.605 5.085 4.480 -0.000 0.000 0.321 396 M C -1.154 175.133 176.300 -0.022 0.000 1.182 396 M CA -0.850 54.415 55.300 -0.058 0.000 0.965 396 M CB 1.972 34.530 32.600 -0.070 0.000 1.694 396 M HN 0.404 nan 8.290 nan 0.000 0.461 397 V N 2.871 122.779 119.914 -0.009 0.000 2.419 397 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 397 V C -0.703 175.391 176.094 0.000 0.000 1.017 397 V CA -0.685 61.616 62.300 0.001 0.000 0.844 397 V CB 2.043 33.873 31.823 0.011 0.000 1.011 397 V HN 0.631 nan 8.190 nan 0.000 0.429 398 V N 6.456 126.370 119.914 -0.000 0.000 2.350 398 V HA 0.431 4.551 4.120 -0.000 0.000 0.276 398 V C 0.060 176.162 176.094 0.015 0.000 1.028 398 V CA -0.542 61.766 62.300 0.014 0.000 0.860 398 V CB 1.495 33.328 31.823 0.016 0.000 0.990 398 V HN 0.602 nan 8.190 nan 0.000 0.453 399 L N 4.286 125.531 121.223 0.037 0.000 2.283 399 L HA 0.541 4.880 4.340 -0.000 0.000 0.287 399 L C 0.300 177.225 176.870 0.091 0.000 1.073 399 L CA 0.391 55.249 54.840 0.030 0.000 0.822 399 L CB 1.042 43.095 42.059 -0.009 0.000 1.186 399 L HN 0.688 nan 8.230 nan 0.000 0.436 400 S N 2.433 118.168 115.700 0.058 0.000 2.619 400 S HA 0.343 4.813 4.470 -0.000 0.000 0.280 400 S C 0.383 175.020 174.600 0.062 0.000 1.150 400 S CA -0.673 57.568 58.200 0.068 0.000 0.978 400 S CB 1.506 64.736 63.200 0.049 0.000 1.041 400 S HN 0.713 nan 8.310 nan 0.000 0.485 401 N N 1.469 120.212 118.700 0.071 0.000 2.220 401 N HA -0.065 4.675 4.740 -0.000 0.000 0.182 401 N C 1.530 177.079 175.510 0.064 0.000 1.023 401 N CA 1.445 54.536 53.050 0.069 0.000 0.856 401 N CB 0.102 38.633 38.487 0.075 0.000 0.997 401 N HN 0.752 nan 8.380 nan 0.000 0.429 402 T N -3.034 111.553 114.554 0.055 0.000 3.035 402 T HA 0.287 4.637 4.350 -0.000 0.000 0.259 402 T C 1.539 176.266 174.700 0.045 0.000 1.078 402 T CA 0.839 62.967 62.100 0.047 0.000 1.132 402 T CB 0.557 69.449 68.868 0.040 0.000 0.900 402 T HN 0.336 nan 8.240 nan 0.000 0.480 403 G N 1.307 110.134 108.800 0.045 0.000 2.253 403 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.209 403 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.209 403 G C 1.081 176.006 174.900 0.042 0.000 0.997 403 G CA 0.259 45.385 45.100 0.043 0.000 0.640 403 G HN 0.407 nan 8.290 nan 0.000 0.496 404 R N 0.791 121.314 120.500 0.038 0.000 2.162 404 R HA -0.197 4.143 4.340 -0.000 0.000 0.245 404 R C 2.625 178.949 176.300 0.040 0.000 1.129 404 R CA 2.442 58.563 56.100 0.037 0.000 0.940 404 R CB -0.644 29.673 30.300 0.028 0.000 0.875 404 R HN 0.454 nan 8.270 nan 0.000 0.437 405 S N -0.185 115.534 115.700 0.031 0.000 2.436 405 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 405 S C 1.855 176.479 174.600 0.040 0.000 1.014 405 S CA 0.754 58.970 58.200 0.027 0.000 0.950 405 S CB 0.123 63.323 63.200 -0.000 0.000 0.784 405 S HN 0.490 nan 8.310 nan 0.000 0.504 406 A N 2.152 124.997 122.820 0.042 0.000 1.855 406 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 406 A C 2.071 179.692 177.584 0.060 0.000 1.191 406 A CA 1.517 53.581 52.037 0.044 0.000 0.613 406 A CB -0.562 18.461 19.000 0.038 0.000 0.829 406 A HN 0.379 nan 8.150 nan 0.000 0.442 407 R N -1.211 119.325 120.500 0.061 0.000 2.127 407 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 407 R C 1.895 178.253 176.300 0.098 0.000 1.134 407 R CA 1.419 57.561 56.100 0.070 0.000 0.975 407 R CB -0.341 29.994 30.300 0.059 0.000 0.865 407 R HN 0.455 nan 8.270 nan 0.000 0.447 408 L N -0.510 120.776 121.223 0.105 0.000 2.240 408 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 408 L C 1.796 178.802 176.870 0.227 0.000 1.106 408 L CA 1.099 56.035 54.840 0.160 0.000 0.793 408 L CB 0.061 42.189 42.059 0.116 0.000 0.927 408 L HN -0.026 nan 8.230 nan 0.000 0.446 409 V N -0.403 119.600 119.914 0.149 0.000 2.255 409 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 409 V C 2.684 178.900 176.094 0.203 0.000 1.038 409 V CA 1.459 63.851 62.300 0.154 0.000 1.008 409 V CB -0.954 30.912 31.823 0.072 0.000 0.645 409 V HN 0.518 nan 8.190 nan 0.000 0.449 410 A N -0.123 122.781 122.820 0.140 0.000 2.054 410 A HA -0.364 3.956 4.320 -0.000 0.000 0.223 410 A C 2.277 179.951 177.584 0.151 0.000 1.169 410 A CA 2.547 54.660 52.037 0.126 0.000 0.655 410 A CB -0.646 18.408 19.000 0.090 0.000 0.812 410 A HN 0.602 nan 8.150 nan 0.000 0.462 411 K N -1.649 118.857 120.400 0.178 0.000 2.057 411 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 411 K C 1.276 177.907 176.600 0.051 0.000 1.049 411 K CA 1.702 58.047 56.287 0.097 0.000 0.931 411 K CB -0.289 32.257 32.500 0.077 0.000 0.714 411 K HN 0.573 nan 8.250 nan 0.000 0.440 412 Y N 0.830 121.241 120.300 0.184 0.000 2.490 412 Y HA 0.203 4.753 4.550 -0.000 0.000 0.281 412 Y C -0.193 175.924 175.900 0.362 0.000 1.174 412 Y CA -0.277 58.004 58.100 0.302 0.000 1.295 412 Y CB 0.529 39.203 38.460 0.356 0.000 1.062 412 Y HN -0.033 nan 8.280 nan 0.000 0.522 413 R N -0.219 120.483 120.500 0.337 0.000 3.152 413 R HA -0.146 4.194 4.340 -0.000 0.000 0.252 413 R C -3.010 173.473 176.300 0.304 0.000 0.930 413 R CA 0.202 56.468 56.100 0.276 0.000 0.642 413 R CB -2.076 28.403 30.300 0.299 0.000 1.205 413 R HN 0.281 nan 8.270 nan 0.000 0.452 414 P HA 0.018 nan 4.420 nan 0.000 0.272 414 P C 0.276 177.539 177.300 -0.062 0.000 1.240 414 P CA -0.242 62.847 63.100 -0.017 0.000 0.791 414 P CB 0.415 32.027 31.700 -0.147 0.000 0.978 415 N N -0.297 118.207 118.700 -0.327 0.000 2.413 415 N HA 0.046 4.786 4.740 -0.000 0.000 0.207 415 N C 0.125 175.564 175.510 -0.117 0.000 1.206 415 N CA -0.401 52.578 53.050 -0.119 0.000 0.832 415 N CB -1.347 37.062 38.487 -0.129 0.000 1.037 415 N HN 0.435 nan 8.380 nan 0.000 0.467 416 C N -3.257 115.925 119.300 -0.197 0.000 3.044 416 C HA 0.769 5.229 4.460 -0.000 0.000 0.315 416 C C -2.896 171.749 174.990 -0.574 0.000 1.320 416 C CA -2.353 56.440 59.018 -0.375 0.000 1.582 416 C CB 1.545 29.090 27.740 -0.324 0.000 2.039 416 C HN 0.030 nan 8.230 nan 0.000 0.466 417 P HA 0.366 nan 4.420 nan 0.000 0.268 417 P C -0.860 176.209 177.300 -0.386 0.000 1.205 417 P CA 0.396 62.951 63.100 -0.908 0.000 0.771 417 P CB 0.225 31.076 31.700 -1.415 0.000 0.858 418 I N 2.257 122.718 120.570 -0.182 0.000 2.354 418 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 418 I C -0.346 175.754 176.117 -0.029 0.000 0.989 418 I CA -0.720 60.534 61.300 -0.076 0.000 1.188 418 I CB 1.681 39.668 38.000 -0.021 0.000 1.342 418 I HN -0.033 nan 8.210 nan 0.000 0.457 419 V N 6.152 126.060 119.914 -0.011 0.000 2.293 419 V HA 0.181 4.301 4.120 -0.000 0.000 0.275 419 V C 0.023 176.087 176.094 -0.049 0.000 1.021 419 V CA -0.612 61.678 62.300 -0.017 0.000 0.815 419 V CB 1.154 33.022 31.823 0.074 0.000 1.025 419 V HN 0.860 nan 8.190 nan 0.000 0.448 420 C N 6.074 125.335 119.300 -0.066 0.000 2.601 420 C HA 0.635 5.095 4.460 -0.000 0.000 0.409 420 C C 0.261 175.212 174.990 -0.065 0.000 1.293 420 C CA 0.036 59.028 59.018 -0.043 0.000 2.101 420 C CB 0.403 28.133 27.740 -0.016 0.000 2.639 420 C HN 0.681 nan 8.230 nan 0.000 0.592 421 V N 6.360 126.252 119.914 -0.036 0.000 2.443 421 V HA 0.508 4.628 4.120 -0.000 0.000 0.293 421 V C 0.061 176.151 176.094 -0.007 0.000 1.021 421 V CA -0.121 62.157 62.300 -0.037 0.000 0.848 421 V CB 1.943 33.723 31.823 -0.073 0.000 0.998 421 V HN 1.056 nan 8.190 nan 0.000 0.424 422 T N 1.254 115.833 114.554 0.040 0.000 2.907 422 T HA 0.356 4.706 4.350 -0.000 0.000 0.292 422 T C 0.928 175.684 174.700 0.094 0.000 1.043 422 T CA -0.025 62.122 62.100 0.079 0.000 1.003 422 T CB 1.829 70.775 68.868 0.129 0.000 1.084 422 T HN 0.742 nan 8.240 nan 0.000 0.483 423 T N -1.202 113.408 114.554 0.094 0.000 3.065 423 T HA 0.138 4.488 4.350 -0.000 0.000 0.252 423 T C 0.626 175.501 174.700 0.292 0.000 1.099 423 T CA -0.149 62.011 62.100 0.099 0.000 1.063 423 T CB 0.116 69.031 68.868 0.079 0.000 0.948 423 T HN 0.257 nan 8.240 nan 0.000 0.506 424 R N 1.375 122.025 120.500 0.251 0.000 2.207 424 R HA 0.375 4.715 4.340 -0.000 0.000 0.334 424 R C 0.522 176.954 176.300 0.220 0.000 1.013 424 R CA -0.647 55.581 56.100 0.214 0.000 0.858 424 R CB 1.402 31.772 30.300 0.117 0.000 1.094 424 R HN 0.103 nan 8.270 nan 0.000 0.457 425 L N 3.035 124.320 121.223 0.103 0.000 2.083 425 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 425 L C 2.159 178.999 176.870 -0.050 0.000 1.083 425 L CA 1.875 56.639 54.840 -0.127 0.000 0.752 425 L CB -0.517 41.301 42.059 -0.403 0.000 0.899 425 L HN 0.629 nan 8.230 nan 0.000 0.433 426 Q N -1.588 118.200 119.800 -0.020 0.000 2.437 426 Q HA -0.153 4.187 4.340 -0.000 0.000 0.210 426 Q C 1.546 177.554 176.000 0.013 0.000 0.972 426 Q CA 1.508 57.303 55.803 -0.012 0.000 0.903 426 Q CB 0.172 28.904 28.738 -0.011 0.000 0.967 426 Q HN 0.512 nan 8.270 nan 0.000 0.486 427 T N -0.922 113.655 114.554 0.039 0.000 2.942 427 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 427 T C 1.819 176.544 174.700 0.042 0.000 1.062 427 T CA 0.793 62.921 62.100 0.047 0.000 1.139 427 T CB -0.187 68.721 68.868 0.066 0.000 0.883 427 T HN 0.396 nan 8.240 nan 0.000 0.468 428 C N 1.686 121.013 119.300 0.045 0.000 2.429 428 C HA -0.021 4.439 4.460 -0.000 0.000 0.277 428 C C 2.874 177.876 174.990 0.020 0.000 1.262 428 C CA 0.471 59.509 59.018 0.034 0.000 1.733 428 C CB -0.908 26.853 27.740 0.036 0.000 2.010 428 C HN 0.548 nan 8.230 nan 0.000 0.483 429 R N 0.455 120.958 120.500 0.006 0.000 2.062 429 R HA -0.140 4.200 4.340 -0.000 0.000 0.231 429 R C 2.235 178.546 176.300 0.018 0.000 1.136 429 R CA 1.277 57.380 56.100 0.004 0.000 0.948 429 R CB -0.494 29.797 30.300 -0.015 0.000 0.845 429 R HN 0.639 nan 8.270 nan 0.000 0.430 430 Q N 0.508 120.320 119.800 0.019 0.000 2.439 430 Q HA -0.058 4.282 4.340 -0.000 0.000 0.211 430 Q C 1.703 177.727 176.000 0.041 0.000 0.978 430 Q CA 0.751 56.572 55.803 0.030 0.000 0.897 430 Q CB 0.090 28.844 28.738 0.027 0.000 0.956 430 Q HN 0.376 nan 8.270 nan 0.000 0.483 431 L N 0.223 121.470 121.223 0.039 0.000 2.592 431 L HA 0.016 4.356 4.340 -0.000 0.000 0.227 431 L C 1.122 178.021 176.870 0.048 0.000 1.127 431 L CA -0.215 54.651 54.840 0.043 0.000 0.884 431 L CB 0.030 42.111 42.059 0.038 0.000 1.065 431 L HN 0.129 nan 8.230 nan 0.000 0.457 432 N N 1.012 119.741 118.700 0.048 0.000 2.609 432 N HA -0.059 4.681 4.740 -0.000 0.000 0.190 432 N C 1.306 176.854 175.510 0.063 0.000 1.157 432 N CA 0.898 53.980 53.050 0.055 0.000 0.918 432 N CB 0.110 38.628 38.487 0.051 0.000 0.978 432 N HN 0.536 nan 8.380 nan 0.000 0.448 433 I N -3.283 117.326 120.570 0.065 0.000 3.936 433 I HA 0.286 4.456 4.170 -0.000 0.000 0.330 433 I C -0.728 175.419 176.117 0.050 0.000 1.509 433 I CA -0.334 61.006 61.300 0.066 0.000 1.126 433 I CB 0.228 38.283 38.000 0.092 0.000 1.115 433 I HN -0.281 nan 8.210 nan 0.000 0.424 434 T N 1.503 116.086 114.554 0.049 0.000 2.809 434 T HA 0.289 4.639 4.350 -0.000 0.000 0.284 434 T C -0.279 174.449 174.700 0.047 0.000 0.992 434 T CA -0.519 61.609 62.100 0.046 0.000 0.957 434 T CB 1.741 70.639 68.868 0.050 0.000 0.942 434 T HN 0.307 nan 8.240 nan 0.000 0.439 435 Q N 2.011 121.833 119.800 0.037 0.000 2.361 435 Q HA 0.291 4.630 4.340 -0.000 0.000 0.276 435 Q C 1.020 177.058 176.000 0.062 0.000 1.022 435 Q CA 1.131 56.953 55.803 0.032 0.000 0.898 435 Q CB 0.262 28.997 28.738 -0.006 0.000 1.246 435 Q HN 1.219 nan 8.270 nan 0.000 0.410 436 G N 2.099 110.956 108.800 0.095 0.000 2.148 436 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 436 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 436 G C -0.314 174.660 174.900 0.124 0.000 0.981 436 G CA 0.208 45.418 45.100 0.184 0.000 0.670 436 G HN 0.630 nan 8.290 nan 0.000 0.528 437 V N 0.105 120.075 119.914 0.094 0.000 2.495 437 V HA 0.626 4.746 4.120 -0.000 0.000 0.298 437 V C 0.032 176.172 176.094 0.076 0.000 1.031 437 V CA -0.790 61.548 62.300 0.063 0.000 0.871 437 V CB 1.856 33.708 31.823 0.048 0.000 0.988 437 V HN 0.352 nan 8.190 nan 0.000 0.432 438 E N 2.053 122.290 120.200 0.063 0.000 2.187 438 E HA 0.560 4.910 4.350 -0.000 0.000 0.268 438 E C -0.990 175.542 176.600 -0.113 0.000 0.896 438 E CA -0.479 55.949 56.400 0.046 0.000 0.766 438 E CB 2.053 31.879 29.700 0.210 0.000 1.142 438 E HN 0.663 nan 8.360 nan 0.000 0.408 439 S N 1.570 117.206 115.700 -0.106 0.000 2.462 439 S HA 0.388 4.858 4.470 -0.000 0.000 0.294 439 S C -0.460 174.026 174.600 -0.189 0.000 1.144 439 S CA -0.735 57.395 58.200 -0.115 0.000 1.088 439 S CB 1.324 64.514 63.200 -0.016 0.000 1.009 439 S HN 0.220 nan 8.310 nan 0.000 0.484 440 V N 4.330 124.127 119.914 -0.195 0.000 2.350 440 V HA 0.348 4.468 4.120 -0.000 0.000 0.285 440 V C -0.594 175.530 176.094 0.049 0.000 1.014 440 V CA -0.758 61.452 62.300 -0.150 0.000 0.831 440 V CB 0.838 32.484 31.823 -0.295 0.000 1.000 440 V HN 0.856 nan 8.190 nan 0.000 0.433 441 F N 6.319 126.261 119.950 -0.015 0.000 2.467 441 F HA 0.458 4.985 4.527 -0.000 0.000 0.362 441 F C -0.557 175.295 175.800 0.086 0.000 1.090 441 F CA -0.708 57.311 58.000 0.032 0.000 1.202 441 F CB 0.532 39.536 39.000 0.007 0.000 1.113 441 F HN 0.438 nan 8.300 nan 0.000 0.541 442 F N 6.775 126.195 119.950 -0.882 0.000 2.347 442 F HA 0.240 4.767 4.527 -0.000 0.000 0.366 442 F C -0.093 175.034 175.800 -1.123 0.000 1.107 442 F CA -0.894 56.650 58.000 -0.760 0.000 1.058 442 F CB 0.097 38.870 39.000 -0.378 0.000 1.236 442 F HN 0.398 nan 8.300 nan 0.000 0.456 443 D N 4.921 124.554 120.400 -1.278 0.000 2.346 443 D HA 0.134 4.774 4.640 -0.000 0.000 0.267 443 D C 0.946 176.936 176.300 -0.516 0.000 1.320 443 D CA 0.419 53.984 54.000 -0.726 0.000 0.951 443 D CB 1.404 42.033 40.800 -0.284 0.000 1.079 443 D HN 0.702 nan 8.370 nan 0.000 0.509 444 A N 3.799 126.484 122.820 -0.226 0.000 2.014 444 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 444 A C 1.738 179.255 177.584 -0.113 0.000 1.163 444 A CA 1.065 53.046 52.037 -0.093 0.000 0.652 444 A CB 0.004 19.015 19.000 0.018 0.000 0.808 444 A HN 0.506 nan 8.150 nan 0.000 0.449 445 D N -0.589 119.771 120.400 -0.068 0.000 2.149 445 D HA -0.053 4.587 4.640 -0.000 0.000 0.201 445 D C 2.022 178.260 176.300 -0.105 0.000 0.972 445 D CA 1.170 55.142 54.000 -0.046 0.000 0.835 445 D CB 0.036 40.840 40.800 0.006 0.000 0.966 445 D HN 0.379 nan 8.370 nan 0.000 0.476 446 K N -0.365 119.948 120.400 -0.145 0.000 2.211 446 K HA 0.181 4.501 4.320 -0.000 0.000 0.201 446 K C 0.697 177.165 176.600 -0.220 0.000 1.052 446 K CA 0.495 56.689 56.287 -0.156 0.000 0.973 446 K CB 0.504 32.925 32.500 -0.131 0.000 0.766 446 K HN 0.124 nan 8.250 nan 0.000 0.466 447 L N 0.738 121.763 121.223 -0.330 0.000 3.209 447 L HA 0.267 4.607 4.340 -0.000 0.000 0.279 447 L C 0.046 176.729 176.870 -0.312 0.000 1.301 447 L CA -0.602 54.033 54.840 -0.341 0.000 1.004 447 L CB 1.039 42.800 42.059 -0.497 0.000 1.402 447 L HN 0.226 nan 8.230 nan 0.000 0.577 448 G N -0.056 108.517 108.800 -0.379 0.000 2.860 448 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.553 448 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.553 448 G C 0.290 174.832 174.900 -0.596 0.000 1.439 448 G CA -0.098 44.629 45.100 -0.622 0.000 0.879 448 G HN 0.489 nan 8.290 nan 0.000 0.545 449 H N 0.361 119.127 119.070 -0.507 0.000 2.551 449 H HA 0.163 4.719 4.556 -0.000 0.000 0.266 449 H C 1.186 176.022 175.328 -0.820 0.000 0.964 449 H CA 0.664 56.251 56.048 -0.768 0.000 1.180 449 H CB 0.312 29.247 29.762 -1.378 0.000 1.408 449 H HN 0.756 nan 8.280 nan 0.000 0.563 450 D N 0.046 120.075 120.400 -0.618 0.000 2.956 450 D HA -0.177 4.463 4.640 -0.000 0.000 0.240 450 D C 0.265 176.412 176.300 -0.255 0.000 1.141 450 D CA 0.163 53.909 54.000 -0.423 0.000 0.820 450 D CB -1.578 39.001 40.800 -0.369 0.000 0.988 450 D HN 0.478 nan 8.370 nan 0.000 0.417 451 W N 0.480 121.765 121.300 -0.026 0.000 2.374 451 W HA 0.033 4.693 4.660 -0.000 0.000 0.288 451 W C 2.499 178.995 176.519 -0.037 0.000 1.218 451 W CA 0.274 57.609 57.345 -0.016 0.000 1.245 451 W CB 0.057 29.523 29.460 0.010 0.000 1.126 451 W HN 0.489 nan 8.180 nan 0.000 0.545 452 G N -0.380 108.526 108.800 0.176 0.000 3.141 452 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 452 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 452 G C 0.844 175.764 174.900 0.033 0.000 1.170 452 G CA 0.027 45.187 45.100 0.101 0.000 0.769 452 G HN 0.177 nan 8.290 nan 0.000 0.546 453 K N -0.280 120.109 120.400 -0.019 0.000 3.445 453 K HA -0.235 4.085 4.320 -0.000 0.000 0.316 453 K C 1.610 178.148 176.600 -0.104 0.000 1.278 453 K CA 1.562 57.782 56.287 -0.112 0.000 0.976 453 K CB -0.698 31.709 32.500 -0.155 0.000 1.238 453 K HN 0.623 nan 8.250 nan 0.000 0.430 454 E N 0.663 120.851 120.200 -0.020 0.000 2.447 454 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 454 E C 1.134 177.704 176.600 -0.049 0.000 1.028 454 E CA 0.848 57.228 56.400 -0.033 0.000 0.876 454 E CB -0.018 29.670 29.700 -0.019 0.000 0.885 454 E HN 0.532 nan 8.360 nan 0.000 0.500 455 H N 1.276 120.267 119.070 -0.132 0.000 2.387 455 H HA 0.100 4.656 4.556 -0.000 0.000 0.299 455 H C 2.079 177.266 175.328 -0.236 0.000 1.090 455 H CA 1.916 57.904 56.048 -0.099 0.000 1.332 455 H CB 0.053 29.806 29.762 -0.014 0.000 1.386 455 H HN 0.089 nan 8.280 nan 0.000 0.516 456 R N -0.307 119.956 120.500 -0.395 0.000 2.090 456 R HA -0.064 4.276 4.340 -0.000 0.000 0.228 456 R C 2.099 178.269 176.300 -0.217 0.000 1.110 456 R CA 1.060 56.826 56.100 -0.557 0.000 0.973 456 R CB -0.017 29.907 30.300 -0.626 0.000 0.869 456 R HN 0.149 nan 8.270 nan 0.000 0.440 457 V N 0.652 120.481 119.914 -0.143 0.000 2.323 457 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 457 V C 2.396 178.471 176.094 -0.032 0.000 1.041 457 V CA 1.827 64.084 62.300 -0.071 0.000 1.025 457 V CB -0.726 31.064 31.823 -0.055 0.000 0.656 457 V HN 0.383 nan 8.190 nan 0.000 0.451 458 A N 0.312 123.108 122.820 -0.040 0.000 1.958 458 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 458 A C 2.399 179.999 177.584 0.028 0.000 1.178 458 A CA 2.499 54.525 52.037 -0.018 0.000 0.642 458 A CB -0.797 18.168 19.000 -0.057 0.000 0.816 458 A HN 0.611 nan 8.150 nan 0.000 0.453 459 A N -0.774 122.077 122.820 0.051 0.000 1.930 459 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 459 A C 2.414 180.068 177.584 0.116 0.000 1.175 459 A CA 1.790 53.892 52.037 0.108 0.000 0.627 459 A CB -1.308 17.800 19.000 0.180 0.000 0.815 459 A HN 0.740 nan 8.150 nan 0.000 0.443 460 G N -0.399 108.441 108.800 0.068 0.000 2.421 460 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 460 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 460 G C 1.514 176.508 174.900 0.157 0.000 1.171 460 G CA 1.312 46.463 45.100 0.086 0.000 0.775 460 G HN 0.305 nan 8.290 nan 0.000 0.543 461 V N 0.598 120.574 119.914 0.103 0.000 2.295 461 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 461 V C 2.794 178.951 176.094 0.104 0.000 1.049 461 V CA 1.930 64.287 62.300 0.095 0.000 1.024 461 V CB -0.394 31.459 31.823 0.050 0.000 0.648 461 V HN 0.266 nan 8.190 nan 0.000 0.447 462 E N -0.337 119.920 120.200 0.094 0.000 2.097 462 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 462 E C 1.997 178.652 176.600 0.091 0.000 1.000 462 E CA 1.775 58.219 56.400 0.073 0.000 0.804 462 E CB -0.418 29.324 29.700 0.071 0.000 0.740 462 E HN 0.629 nan 8.360 nan 0.000 0.454 463 F N 1.247 121.208 119.950 0.018 0.000 2.026 463 F HA -0.260 4.267 4.527 -0.000 0.000 0.296 463 F C 2.316 178.116 175.800 -0.001 0.000 1.133 463 F CA 2.046 60.057 58.000 0.020 0.000 1.188 463 F CB -0.606 38.426 39.000 0.054 0.000 0.968 463 F HN 0.007 nan 8.300 nan 0.000 0.476 464 A N 0.189 123.132 122.820 0.204 0.000 1.883 464 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 464 A C 2.321 179.846 177.584 -0.100 0.000 1.186 464 A CA 2.146 54.268 52.037 0.142 0.000 0.624 464 A CB -1.077 18.114 19.000 0.317 0.000 0.822 464 A HN 0.519 nan 8.150 nan 0.000 0.444 465 K N 0.058 120.432 120.400 -0.043 0.000 2.113 465 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 465 K C 2.307 178.813 176.600 -0.156 0.000 1.047 465 K CA 1.936 58.179 56.287 -0.073 0.000 0.928 465 K CB -0.183 32.297 32.500 -0.034 0.000 0.716 465 K HN 0.667 nan 8.250 nan 0.000 0.446 466 S N 0.067 115.642 115.700 -0.209 0.000 2.414 466 S HA -0.000 4.470 4.470 -0.000 0.000 0.227 466 S C 1.613 175.989 174.600 -0.373 0.000 1.022 466 S CA 0.483 58.537 58.200 -0.244 0.000 0.958 466 S CB 0.015 63.089 63.200 -0.210 0.000 0.797 466 S HN 0.147 nan 8.310 nan 0.000 0.493 467 K N 1.112 121.148 120.400 -0.607 0.000 2.555 467 K HA 0.114 4.434 4.320 -0.000 0.000 0.193 467 K C 1.420 177.567 176.600 -0.755 0.000 1.032 467 K CA 0.678 56.470 56.287 -0.824 0.000 1.004 467 K CB -0.603 31.083 32.500 -1.356 0.000 0.804 467 K HN 0.691 nan 8.250 nan 0.000 0.496 468 G N 0.737 109.258 108.800 -0.465 0.000 2.159 468 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.256 468 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.256 468 G C 0.658 175.483 174.900 -0.126 0.000 0.977 468 G CA 0.406 45.355 45.100 -0.250 0.000 0.652 468 G HN 0.215 nan 8.290 nan 0.000 0.531 469 Y N 0.260 120.509 120.300 -0.086 0.000 2.133 469 Y HA 0.231 4.781 4.550 -0.000 0.000 0.287 469 Y C 2.112 177.973 175.900 -0.065 0.000 1.134 469 Y CA 1.010 59.061 58.100 -0.082 0.000 1.133 469 Y CB -0.926 37.476 38.460 -0.097 0.000 0.987 469 Y HN 0.676 nan 8.280 nan 0.000 0.502 470 V N -1.570 118.405 119.914 0.103 0.000 2.919 470 V HA 0.621 4.741 4.120 -0.000 0.000 0.316 470 V C -0.591 175.504 176.094 0.001 0.000 1.077 470 V CA -1.204 61.123 62.300 0.044 0.000 0.977 470 V CB 2.093 33.946 31.823 0.049 0.000 1.039 470 V HN 0.161 nan 8.190 nan 0.000 0.441 471 Q N -0.188 119.604 119.800 -0.013 0.000 2.528 471 Q HA 0.442 4.782 4.340 -0.000 0.000 0.289 471 Q C -0.782 175.196 176.000 -0.037 0.000 1.091 471 Q CA -0.971 54.815 55.803 -0.029 0.000 0.797 471 Q CB 2.263 30.982 28.738 -0.033 0.000 1.466 471 Q HN 0.847 nan 8.270 nan 0.000 0.436 472 T N 1.278 115.808 114.554 -0.039 0.000 2.642 472 T HA 0.159 4.509 4.350 -0.000 0.000 0.258 472 T C 0.908 175.570 174.700 -0.063 0.000 1.022 472 T CA 1.319 63.393 62.100 -0.044 0.000 1.266 472 T CB -0.553 68.292 68.868 -0.039 0.000 0.987 472 T HN 0.931 nan 8.240 nan 0.000 0.518 473 G N 3.644 112.394 108.800 -0.084 0.000 2.436 473 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.204 473 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.204 473 G C -0.019 174.753 174.900 -0.213 0.000 1.026 473 G CA -0.470 44.548 45.100 -0.136 0.000 0.658 473 G HN 0.610 nan 8.290 nan 0.000 0.499 474 D N 0.412 120.725 120.400 -0.146 0.000 2.390 474 D HA 0.366 5.006 4.640 -0.000 0.000 0.236 474 D C 0.030 176.249 176.300 -0.134 0.000 1.189 474 D CA 0.423 54.341 54.000 -0.137 0.000 0.887 474 D CB 0.240 41.013 40.800 -0.046 0.000 1.198 474 D HN 0.150 nan 8.370 nan 0.000 0.444 475 Y N -0.097 120.190 120.300 -0.023 0.000 2.320 475 Y HA 0.312 4.862 4.550 -0.000 0.000 0.324 475 Y C 0.518 176.398 175.900 -0.032 0.000 1.190 475 Y CA -0.888 57.197 58.100 -0.026 0.000 1.215 475 Y CB 1.401 39.843 38.460 -0.031 0.000 1.221 475 Y HN 0.251 nan 8.280 nan 0.000 0.486 476 C N 3.118 122.531 119.300 0.188 0.000 2.783 476 C HA 0.819 5.279 4.460 -0.000 0.000 0.312 476 C C -1.381 173.627 174.990 0.029 0.000 1.182 476 C CA -0.647 58.415 59.018 0.072 0.000 1.432 476 C CB 0.345 28.120 27.740 0.058 0.000 1.933 476 C HN 0.566 nan 8.230 nan 0.000 0.473 477 V N 6.075 125.982 119.914 -0.012 0.000 2.357 477 V HA 0.502 4.622 4.120 -0.000 0.000 0.284 477 V C -0.192 175.889 176.094 -0.021 0.000 1.018 477 V CA -0.264 62.016 62.300 -0.034 0.000 0.841 477 V CB 1.566 33.351 31.823 -0.065 0.000 0.991 477 V HN 0.762 nan 8.190 nan 0.000 0.437 478 V N 6.772 126.678 119.914 -0.012 0.000 2.398 478 V HA 0.564 4.684 4.120 -0.000 0.000 0.286 478 V C -0.177 175.922 176.094 0.008 0.000 1.026 478 V CA -0.526 61.773 62.300 -0.001 0.000 0.868 478 V CB 1.795 33.618 31.823 0.001 0.000 0.982 478 V HN 0.707 nan 8.190 nan 0.000 0.443 479 I N 4.797 125.379 120.570 0.020 0.000 2.686 479 I HA 0.659 4.829 4.170 -0.000 0.000 0.295 479 I C -1.713 174.457 176.117 0.088 0.000 1.114 479 I CA -0.532 60.789 61.300 0.034 0.000 1.038 479 I CB 2.396 40.396 38.000 0.000 0.000 1.238 479 I HN 0.984 nan 8.210 nan 0.000 0.420 480 H N 6.353 125.412 119.070 -0.017 0.000 2.934 480 H HA 0.824 5.380 4.556 -0.000 0.000 0.340 480 H C -1.954 173.370 175.328 -0.007 0.000 1.008 480 H CA -0.190 55.851 56.048 -0.012 0.000 1.317 480 H CB 1.652 31.405 29.762 -0.014 0.000 1.670 480 H HN 0.781 nan 8.280 nan 0.000 0.516 481 A N 4.227 126.791 122.820 -0.427 0.000 2.469 481 A HA 0.676 4.996 4.320 -0.000 0.000 0.299 481 A C -0.727 176.660 177.584 -0.329 0.000 1.098 481 A CA 0.052 51.861 52.037 -0.380 0.000 0.737 481 A CB 1.227 20.131 19.000 -0.161 0.000 1.312 481 A HN 1.084 nan 8.150 nan 0.000 0.414 490 N N 0.157 118.733 118.700 -0.208 0.000 2.708 490 N HA -0.141 4.599 4.740 -0.000 0.000 0.255 490 N C -0.364 175.128 175.510 -0.031 0.000 1.046 490 N CA 1.558 54.542 53.050 -0.109 0.000 0.715 490 N CB -0.757 37.691 38.487 -0.065 0.000 0.895 490 N HN 0.872 nan 8.380 nan 0.000 0.545 491 Q N 0.603 120.409 119.800 0.011 0.000 2.292 491 Q HA 0.405 4.745 4.340 -0.000 0.000 0.270 491 Q C -1.171 174.860 176.000 0.052 0.000 1.024 491 Q CA -0.195 55.646 55.803 0.063 0.000 0.768 491 Q CB 1.502 30.323 28.738 0.138 0.000 1.250 491 Q HN 0.250 nan 8.270 nan 0.000 0.447 492 T N 3.402 117.967 114.554 0.018 0.000 2.885 492 T HA 0.695 5.045 4.350 -0.000 0.000 0.285 492 T C -0.528 174.170 174.700 -0.003 0.000 1.019 492 T CA -0.752 61.350 62.100 0.004 0.000 1.010 492 T CB 1.478 70.336 68.868 -0.017 0.000 1.022 492 T HN 0.488 nan 8.240 nan 0.000 0.466 493 R N 1.050 121.545 120.500 -0.009 0.000 2.744 493 R HA 0.608 4.948 4.340 -0.000 0.000 0.279 493 R C -0.985 175.295 176.300 -0.034 0.000 0.977 493 R CA -0.813 55.277 56.100 -0.016 0.000 0.906 493 R CB 2.065 32.362 30.300 -0.004 0.000 1.197 493 R HN 0.551 nan 8.270 nan 0.000 0.463 494 I N 3.633 124.170 120.570 -0.055 0.000 2.307 494 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 494 I C -0.308 175.795 176.117 -0.023 0.000 1.021 494 I CA -0.456 60.789 61.300 -0.091 0.000 1.224 494 I CB 0.957 38.827 38.000 -0.217 0.000 1.376 494 I HN 0.309 nan 8.210 nan 0.000 0.470 495 L N 6.594 127.841 121.223 0.040 0.000 2.325 495 L HA 0.450 4.790 4.340 -0.000 0.000 0.279 495 L C -0.330 176.673 176.870 0.221 0.000 1.054 495 L CA -0.801 54.097 54.840 0.095 0.000 0.804 495 L CB 2.062 44.158 42.059 0.061 0.000 1.200 495 L HN 0.515 nan 8.230 nan 0.000 0.436 496 L N 4.185 125.519 121.223 0.185 0.000 2.288 496 L HA 0.272 4.612 4.340 -0.000 0.000 0.283 496 L C -0.245 176.649 176.870 0.040 0.000 1.072 496 L CA -0.526 54.391 54.840 0.127 0.000 0.862 496 L CB 1.029 43.138 42.059 0.085 0.000 1.245 496 L HN 0.298 nan 8.230 nan 0.000 0.432 497 V N 4.873 124.803 119.914 0.027 0.000 2.681 497 V HA -0.100 4.020 4.120 -0.000 0.000 0.306 497 V C 0.715 176.799 176.094 -0.017 0.000 1.077 497 V CA 0.530 62.833 62.300 0.006 0.000 1.224 497 V CB -0.008 31.817 31.823 0.003 0.000 0.879 497 V HN 0.739 nan 8.190 nan 0.000 0.494 498 E N 0.000 120.193 120.200 -0.012 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.388 56.400 -0.019 0.000 0.976 498 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440