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 1jiw_1_P DATA FIRST_RESID 1 DATA SEQUENCE GRSDAYTQVD NFLHAYARGG DELVNGHPSY TVDQAAEQIL REQASWQKAP DATA SEQUENCE GDSVLTLSYS FLTKPNDFFN TPWKYVSDIY SLGKFSAFSA QQQAQAKLSL DATA SEQUENCE QSWSDVTNIH FVDAGQGDQG DLTFGNFSSS VGGAAFAFLP DVPDALKGQS DATA SEQUENCE WYLINSSYSA NVNPANGNYG RQTLTHEIGH TLGLSHPGDY NAGEGDPTYA DATA SEQUENCE DATYAEDTRA YSVMSYWEEQ NTGQDFKGAY SSAPLLDDIA AIQKLYGANL DATA SEQUENCE TTRTGDTVYG FNSNTERDFY SATSSSSKLV FSVWDAGGND TLDFSGFSQN DATA SEQUENCE QKINLNEKAL SDVGGLKGNV SIAAGVTVEN AIGGSGSDLL IGNDVANVLK DATA SEQUENCE GGAGNDILYG GLGADQLWGG AGADTFVYGD IAESSAAAPD TLRDFVSGQD DATA SEQUENCE KIDLSGLDAF VNGGLVLQYV DAFAGKAGQA ILSYDAASKA GSLAIDFSGD DATA SEQUENCE AHADFAINLI GQATQADIVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.887 174.900 -0.022 0.000 0.946 1 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 2 R N 0.519 120.994 120.500 -0.042 0.000 2.537 2 R HA 0.315 4.655 4.340 0.000 0.000 0.281 2 R C 1.295 177.629 176.300 0.056 0.000 0.988 2 R CA 0.643 56.712 56.100 -0.052 0.000 1.077 2 R CB 0.419 30.692 30.300 -0.045 0.000 0.932 2 R HN 0.700 nan 8.270 nan 0.000 0.409 3 S N 0.685 116.445 115.700 0.100 0.000 2.624 3 S HA -0.030 4.441 4.470 0.000 0.000 0.263 3 S C 0.957 175.641 174.600 0.141 0.000 1.287 3 S CA -0.702 57.566 58.200 0.112 0.000 0.990 3 S CB 1.353 64.625 63.200 0.121 0.000 0.950 3 S HN 0.752 nan 8.310 nan 0.000 0.561 4 D N 0.950 121.408 120.400 0.095 0.000 2.144 4 D HA -0.155 4.485 4.640 0.000 0.000 0.199 4 D C 1.969 178.317 176.300 0.080 0.000 0.984 4 D CA 1.458 55.505 54.000 0.078 0.000 0.834 4 D CB -0.429 40.399 40.800 0.046 0.000 0.955 4 D HN 0.682 nan 8.370 nan 0.000 0.465 5 A N 0.055 122.929 122.820 0.090 0.000 1.902 5 A HA -0.216 4.104 4.320 0.000 0.000 0.217 5 A C 2.228 179.865 177.584 0.088 0.000 1.181 5 A CA 1.491 53.574 52.037 0.075 0.000 0.623 5 A CB -1.270 17.782 19.000 0.087 0.000 0.818 5 A HN 0.510 nan 8.150 nan 0.000 0.443 6 Y N 1.125 121.456 120.300 0.051 0.000 2.145 6 Y HA -0.180 4.370 4.550 0.000 0.000 0.286 6 Y C 2.604 178.519 175.900 0.024 0.000 1.145 6 Y CA 2.361 60.492 58.100 0.052 0.000 1.148 6 Y CB -0.710 37.796 38.460 0.077 0.000 0.981 6 Y HN 0.290 nan 8.280 nan 0.000 0.507 7 T N 0.805 115.446 114.554 0.146 0.000 2.759 7 T HA -0.229 4.121 4.350 0.000 0.000 0.269 7 T C 1.719 176.389 174.700 -0.050 0.000 1.042 7 T CA 1.810 63.947 62.100 0.062 0.000 1.140 7 T CB -0.232 68.710 68.868 0.123 0.000 0.864 7 T HN 0.502 nan 8.240 nan 0.000 0.455 8 Q N 0.118 119.893 119.800 -0.041 0.000 2.084 8 Q HA -0.077 4.264 4.340 0.000 0.000 0.202 8 Q C 2.586 178.535 176.000 -0.084 0.000 0.978 8 Q CA 1.150 56.925 55.803 -0.046 0.000 0.844 8 Q CB -0.374 28.339 28.738 -0.042 0.000 0.898 8 Q HN 0.369 nan 8.270 nan 0.000 0.426 9 V N 1.287 121.092 119.914 -0.182 0.000 2.237 9 V HA -0.274 3.846 4.120 0.000 0.000 0.245 9 V C 1.920 177.809 176.094 -0.341 0.000 1.046 9 V CA 2.197 64.325 62.300 -0.286 0.000 1.007 9 V CB -0.598 30.944 31.823 -0.469 0.000 0.638 9 V HN 0.386 nan 8.190 nan 0.000 0.445 10 D N 0.134 120.263 120.400 -0.452 0.000 2.123 10 D HA -0.189 4.451 4.640 0.000 0.000 0.196 10 D C 1.949 178.225 176.300 -0.041 0.000 0.992 10 D CA 1.544 55.364 54.000 -0.300 0.000 0.833 10 D CB -0.215 40.417 40.800 -0.281 0.000 0.954 10 D HN 0.357 nan 8.370 nan 0.000 0.455 11 N N -0.629 118.066 118.700 -0.009 0.000 2.120 11 N HA -0.154 4.586 4.740 0.000 0.000 0.188 11 N C 1.549 177.104 175.510 0.076 0.000 1.024 11 N CA 0.584 53.673 53.050 0.065 0.000 0.852 11 N CB -0.582 37.934 38.487 0.048 0.000 1.003 11 N HN 0.242 nan 8.380 nan 0.000 0.424 12 F N 1.316 121.199 119.950 -0.112 0.000 2.325 12 F HA 0.141 4.669 4.527 0.000 0.000 0.299 12 F C 1.976 177.706 175.800 -0.116 0.000 1.090 12 F CA 0.367 58.305 58.000 -0.103 0.000 1.392 12 F CB -0.233 38.719 39.000 -0.080 0.000 1.053 12 F HN -0.051 nan 8.300 nan 0.000 0.521 13 L N -0.860 120.228 121.223 -0.225 0.000 2.191 13 L HA -0.219 4.122 4.340 0.000 0.000 0.212 13 L C 1.631 178.227 176.870 -0.457 0.000 1.103 13 L CA 1.022 55.627 54.840 -0.390 0.000 0.769 13 L CB -0.524 41.227 42.059 -0.513 0.000 0.908 13 L HN 0.177 nan 8.230 nan 0.000 0.438 14 H N -1.045 117.938 119.070 -0.145 0.000 2.520 14 H HA 0.348 4.904 4.556 0.000 0.000 0.284 14 H C 0.749 175.989 175.328 -0.146 0.000 1.037 14 H CA 0.133 56.115 56.048 -0.109 0.000 1.168 14 H CB 0.070 29.790 29.762 -0.070 0.000 1.497 14 H HN 0.195 nan 8.280 nan 0.000 0.547 15 A N 0.172 122.873 122.820 -0.199 0.000 2.386 15 A HA 0.221 4.541 4.320 0.000 0.000 0.248 15 A C -0.386 177.068 177.584 -0.216 0.000 1.082 15 A CA -0.259 51.565 52.037 -0.354 0.000 0.789 15 A CB -0.188 18.420 19.000 -0.652 0.000 1.025 15 A HN 0.426 nan 8.150 nan 0.000 0.490 16 Y N -2.056 118.247 120.300 0.006 0.000 3.305 16 Y HA -0.167 4.383 4.550 0.000 0.000 0.212 16 Y C 1.094 177.047 175.900 0.088 0.000 1.248 16 Y CA 0.274 58.419 58.100 0.075 0.000 1.359 16 Y CB -2.453 36.061 38.460 0.090 0.000 1.407 16 Y HN 1.007 nan 8.280 nan 0.000 0.572 17 A N 1.537 124.445 122.820 0.146 0.000 2.462 17 A HA 0.613 4.933 4.320 0.000 0.000 0.243 17 A C 0.804 178.466 177.584 0.130 0.000 1.076 17 A CA 0.342 52.452 52.037 0.121 0.000 0.773 17 A CB 0.402 19.454 19.000 0.087 0.000 1.010 17 A HN 0.542 nan 8.150 nan 0.000 0.493 18 R N 0.702 121.263 120.500 0.102 0.000 2.739 18 R HA 0.701 5.041 4.340 0.000 0.000 0.271 18 R C 0.422 176.767 176.300 0.074 0.000 1.010 18 R CA -0.340 55.809 56.100 0.083 0.000 0.897 18 R CB 0.895 31.209 30.300 0.023 0.000 1.236 18 R HN 1.960 nan 8.270 nan 0.000 0.466 19 G N 0.124 108.979 108.800 0.091 0.000 2.175 19 G HA2 -0.221 3.739 3.960 0.000 0.000 0.244 19 G HA3 -0.221 3.739 3.960 0.000 0.000 0.244 19 G C 0.436 175.380 174.900 0.072 0.000 0.982 19 G CA -0.164 44.984 45.100 0.080 0.000 0.641 19 G HN 0.987 nan 8.290 nan 0.000 0.527 20 G N -0.496 108.350 108.800 0.076 0.000 2.716 20 G HA2 0.405 4.365 3.960 0.000 0.000 0.251 20 G HA3 0.405 4.365 3.960 0.000 0.000 0.251 20 G C 0.610 175.550 174.900 0.066 0.000 1.224 20 G CA 0.544 45.681 45.100 0.062 0.000 0.891 20 G HN 0.117 nan 8.290 nan 0.000 0.561 21 D N -0.368 120.062 120.400 0.051 0.000 2.249 21 D HA 0.003 4.643 4.640 0.000 0.000 0.205 21 D C 0.914 177.247 176.300 0.054 0.000 0.962 21 D CA 0.684 54.714 54.000 0.050 0.000 0.860 21 D CB 0.413 41.233 40.800 0.034 0.000 0.955 21 D HN 0.544 nan 8.370 nan 0.000 0.505 22 E N 0.706 120.936 120.200 0.050 0.000 2.374 22 E HA 0.219 4.569 4.350 0.000 0.000 0.260 22 E C -0.208 176.427 176.600 0.059 0.000 1.101 22 E CA -0.788 55.639 56.400 0.046 0.000 0.907 22 E CB 1.177 30.898 29.700 0.034 0.000 1.014 22 E HN -0.106 nan 8.360 nan 0.000 0.427 23 L N 1.298 122.551 121.223 0.050 0.000 2.467 23 L HA 0.111 4.451 4.340 0.000 0.000 0.270 23 L C -0.197 176.708 176.870 0.057 0.000 1.205 23 L CA 0.277 55.150 54.840 0.054 0.000 0.828 23 L CB 0.454 42.528 42.059 0.025 0.000 1.101 23 L HN 0.252 nan 8.230 nan 0.000 0.479 24 V N 2.668 122.629 119.914 0.079 0.000 2.525 24 V HA 0.369 4.489 4.120 0.000 0.000 0.299 24 V C -0.233 175.922 176.094 0.101 0.000 1.034 24 V CA -0.872 61.485 62.300 0.095 0.000 0.863 24 V CB 1.517 33.419 31.823 0.132 0.000 0.999 24 V HN 0.831 nan 8.190 nan 0.000 0.423 25 N N 3.667 122.408 118.700 0.069 0.000 2.725 25 N HA -0.210 4.530 4.740 0.000 0.000 0.249 25 N C 1.151 176.559 175.510 -0.171 0.000 1.103 25 N CA 1.602 54.683 53.050 0.052 0.000 0.707 25 N CB -1.153 37.499 38.487 0.274 0.000 1.043 25 N HN 1.647 nan 8.380 nan 0.000 0.553 26 G N -1.610 107.090 108.800 -0.166 0.000 2.148 26 G HA2 -0.335 3.625 3.960 0.000 0.000 0.254 26 G HA3 -0.335 3.625 3.960 0.000 0.000 0.254 26 G C -0.148 174.532 174.900 -0.367 0.000 0.981 26 G CA 0.964 45.898 45.100 -0.276 0.000 0.670 26 G HN 0.812 nan 8.290 nan 0.000 0.528 27 H N 0.063 119.102 119.070 -0.051 0.000 2.797 27 H HA 0.563 5.119 4.556 0.000 0.000 0.372 27 H C -2.370 172.953 175.328 -0.009 0.000 1.168 27 H CA -1.936 54.070 56.048 -0.070 0.000 1.163 27 H CB 2.631 32.302 29.762 -0.152 0.000 1.778 27 H HN 0.113 nan 8.280 nan 0.000 0.551 28 P HA 0.006 nan 4.420 nan 0.000 0.274 28 P C -0.533 176.862 177.300 0.158 0.000 1.231 28 P CA -0.302 62.891 63.100 0.156 0.000 0.790 28 P CB 1.309 33.135 31.700 0.210 0.000 0.951 29 S N 1.722 117.547 115.700 0.208 0.000 2.442 29 S HA 0.441 4.911 4.470 0.000 0.000 0.297 29 S C -0.956 173.860 174.600 0.360 0.000 1.131 29 S CA -0.416 57.916 58.200 0.221 0.000 1.092 29 S CB -0.352 62.944 63.200 0.160 0.000 0.998 29 S HN 0.169 nan 8.310 nan 0.000 0.478 30 Y N 2.340 122.685 120.300 0.075 0.000 2.387 30 Y HA 0.400 4.950 4.550 0.000 0.000 0.330 30 Y C 1.317 177.179 175.900 -0.065 0.000 1.133 30 Y CA -1.495 56.573 58.100 -0.053 0.000 1.152 30 Y CB 1.267 39.560 38.460 -0.279 0.000 1.215 30 Y HN 0.732 nan 8.280 nan 0.000 0.466 31 T N -2.228 112.347 114.554 0.035 0.000 2.788 31 T HA 0.283 4.633 4.350 0.000 0.000 0.280 31 T C 1.293 175.982 174.700 -0.018 0.000 0.984 31 T CA -0.624 61.474 62.100 -0.002 0.000 0.972 31 T CB 0.644 69.493 68.868 -0.032 0.000 1.039 31 T HN 0.320 nan 8.240 nan 0.000 0.530 32 V N 0.858 120.770 119.914 -0.004 0.000 2.332 32 V HA -0.158 3.962 4.120 0.000 0.000 0.248 32 V C 2.572 178.661 176.094 -0.008 0.000 1.055 32 V CA 2.468 64.776 62.300 0.014 0.000 1.038 32 V CB -1.077 30.776 31.823 0.050 0.000 0.651 32 V HN 1.069 nan 8.190 nan 0.000 0.450 33 D N -0.677 119.706 120.400 -0.029 0.000 2.117 33 D HA -0.195 4.445 4.640 0.000 0.000 0.197 33 D C 2.285 178.518 176.300 -0.112 0.000 0.987 33 D CA 1.373 55.341 54.000 -0.052 0.000 0.829 33 D CB -0.067 40.703 40.800 -0.050 0.000 0.961 33 D HN 0.512 nan 8.370 nan 0.000 0.460 34 Q N -0.302 119.387 119.800 -0.184 0.000 2.124 34 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 34 Q C 2.254 178.078 176.000 -0.293 0.000 0.977 34 Q CA 1.327 56.913 55.803 -0.361 0.000 0.850 34 Q CB -0.163 28.174 28.738 -0.669 0.000 0.901 34 Q HN 0.348 nan 8.270 nan 0.000 0.429 35 A N 1.131 123.840 122.820 -0.185 0.000 1.902 35 A HA -0.120 4.200 4.320 0.000 0.000 0.217 35 A C 2.299 179.855 177.584 -0.047 0.000 1.181 35 A CA 1.552 53.464 52.037 -0.209 0.000 0.623 35 A CB -0.750 18.217 19.000 -0.055 0.000 0.818 35 A HN 0.396 nan 8.150 nan 0.000 0.443 36 A N -0.380 122.427 122.820 -0.022 0.000 1.902 36 A HA -0.152 4.168 4.320 0.000 0.000 0.217 36 A C 1.956 179.527 177.584 -0.022 0.000 1.181 36 A CA 1.681 53.720 52.037 0.004 0.000 0.623 36 A CB -0.438 18.561 19.000 -0.001 0.000 0.818 36 A HN 0.458 nan 8.150 nan 0.000 0.443 37 E N -0.544 119.620 120.200 -0.061 0.000 2.077 37 E HA -0.238 4.112 4.350 0.000 0.000 0.193 37 E C 2.164 178.741 176.600 -0.038 0.000 0.989 37 E CA 1.664 58.025 56.400 -0.065 0.000 0.800 37 E CB -0.353 29.286 29.700 -0.101 0.000 0.746 37 E HN 0.754 nan 8.360 nan 0.000 0.452 38 Q N 0.993 120.778 119.800 -0.026 0.000 2.084 38 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 38 Q C 2.082 178.122 176.000 0.067 0.000 0.978 38 Q CA 1.275 57.105 55.803 0.045 0.000 0.844 38 Q CB -0.389 28.412 28.738 0.104 0.000 0.898 38 Q HN 0.302 nan 8.270 nan 0.000 0.426 39 I N -0.140 120.476 120.570 0.077 0.000 2.567 39 I HA -0.200 3.970 4.170 0.000 0.000 0.257 39 I C 1.250 177.382 176.117 0.024 0.000 1.184 39 I CA 0.786 62.134 61.300 0.080 0.000 1.451 39 I CB -0.032 38.032 38.000 0.106 0.000 1.089 39 I HN 0.220 nan 8.210 nan 0.000 0.441 40 L N 0.748 121.970 121.223 -0.001 0.000 2.700 40 L HA 0.124 4.464 4.340 0.000 0.000 0.234 40 L C 2.323 179.172 176.870 -0.034 0.000 1.156 40 L CA -0.079 54.742 54.840 -0.031 0.000 0.946 40 L CB -0.375 41.652 42.059 -0.053 0.000 1.216 40 L HN 0.268 nan 8.230 nan 0.000 0.493 41 R N -0.141 120.347 120.500 -0.020 0.000 2.170 41 R HA -0.185 4.155 4.340 0.000 0.000 0.242 41 R C 1.081 177.361 176.300 -0.033 0.000 1.145 41 R CA 1.251 57.338 56.100 -0.022 0.000 0.984 41 R CB -0.322 29.975 30.300 -0.005 0.000 0.869 41 R HN 0.271 nan 8.270 nan 0.000 0.455 42 E N 1.108 121.283 120.200 -0.041 0.000 2.427 42 E HA -0.091 4.259 4.350 0.000 0.000 0.196 42 E C 0.199 176.767 176.600 -0.054 0.000 1.028 42 E CA 0.336 56.706 56.400 -0.050 0.000 0.864 42 E CB -0.038 29.626 29.700 -0.061 0.000 0.813 42 E HN 0.447 nan 8.360 nan 0.000 0.514 43 Q N -1.074 118.693 119.800 -0.054 0.000 2.475 43 Q HA -0.208 4.132 4.340 0.000 0.000 0.280 43 Q C -0.262 175.699 176.000 -0.066 0.000 1.234 43 Q CA 0.503 56.270 55.803 -0.060 0.000 0.873 43 Q CB -1.952 26.755 28.738 -0.053 0.000 1.256 43 Q HN 0.230 nan 8.270 nan 0.000 0.475 44 A N 0.860 123.639 122.820 -0.069 0.000 2.304 44 A HA 0.818 5.138 4.320 0.000 0.000 0.301 44 A C 0.388 177.937 177.584 -0.057 0.000 1.132 44 A CA 0.503 52.492 52.037 -0.079 0.000 0.819 44 A CB 1.266 20.213 19.000 -0.088 0.000 1.094 44 A HN 0.669 nan 8.150 nan 0.000 0.492 45 S N 0.023 115.691 115.700 -0.055 0.000 2.611 45 S HA 0.550 5.020 4.470 0.000 0.000 0.270 45 S C -1.540 173.105 174.600 0.075 0.000 1.131 45 S CA -0.824 57.424 58.200 0.081 0.000 0.826 45 S CB 0.048 63.280 63.200 0.053 0.000 1.095 45 S HN 0.742 nan 8.310 nan 0.000 0.461 46 W N 1.218 122.638 121.300 0.200 0.000 2.381 46 W HA 0.595 5.255 4.660 0.000 0.000 0.329 46 W C 0.163 176.742 176.519 0.099 0.000 1.157 46 W CA -0.171 57.223 57.345 0.082 0.000 1.240 46 W CB 0.921 30.363 29.460 -0.031 0.000 1.199 46 W HN 0.528 nan 8.180 nan 0.000 0.579 47 Q N 2.417 122.381 119.800 0.273 0.000 2.271 47 Q HA 0.207 4.547 4.340 0.000 0.000 0.258 47 Q C -0.318 175.769 176.000 0.144 0.000 0.936 47 Q CA -1.020 54.884 55.803 0.168 0.000 0.909 47 Q CB 1.649 30.442 28.738 0.091 0.000 1.253 47 Q HN 0.425 nan 8.270 nan 0.000 0.440 48 K N 1.078 121.537 120.400 0.097 0.000 2.448 48 K HA 0.291 4.611 4.320 0.000 0.000 0.278 48 K C -0.273 176.349 176.600 0.037 0.000 1.009 48 K CA -0.121 56.190 56.287 0.040 0.000 0.995 48 K CB 0.557 33.071 32.500 0.023 0.000 0.917 48 K HN 0.704 nan 8.250 nan 0.000 0.481 49 A N 5.786 128.619 122.820 0.022 0.000 2.483 49 A HA 0.219 4.539 4.320 0.000 0.000 0.238 49 A C -2.122 175.472 177.584 0.016 0.000 1.070 49 A CA -1.145 50.906 52.037 0.023 0.000 0.770 49 A CB -0.308 18.700 19.000 0.013 0.000 1.008 49 A HN 0.678 nan 8.150 nan 0.000 0.497 50 P HA 0.225 nan 4.420 nan 0.000 0.266 50 P C 0.744 178.050 177.300 0.010 0.000 1.215 50 P CA 1.336 64.443 63.100 0.013 0.000 0.763 50 P CB 0.703 32.410 31.700 0.012 0.000 0.806 51 G N 2.771 111.577 108.800 0.010 0.000 2.218 51 G HA2 -0.159 3.802 3.960 0.000 0.000 0.216 51 G HA3 -0.159 3.802 3.960 0.000 0.000 0.216 51 G C -0.386 174.519 174.900 0.009 0.000 0.994 51 G CA -0.372 44.734 45.100 0.009 0.000 0.637 51 G HN 0.521 nan 8.290 nan 0.000 0.505 52 D N 0.322 120.727 120.400 0.008 0.000 2.198 52 D HA 0.572 5.212 4.640 0.000 0.000 0.245 52 D C 1.455 177.759 176.300 0.006 0.000 1.079 52 D CA 0.362 54.366 54.000 0.007 0.000 0.854 52 D CB 1.637 42.435 40.800 -0.003 0.000 1.148 52 D HN 0.200 nan 8.370 nan 0.000 0.456 53 S N 0.871 116.578 115.700 0.012 0.000 2.501 53 S HA 0.089 4.559 4.470 0.000 0.000 0.220 53 S C 0.581 175.173 174.600 -0.014 0.000 0.997 53 S CA -0.271 57.934 58.200 0.009 0.000 0.919 53 S CB 0.274 63.487 63.200 0.022 0.000 0.778 53 S HN 0.294 nan 8.310 nan 0.000 0.523 54 V N 1.584 121.476 119.914 -0.036 0.000 2.760 54 V HA 0.586 4.706 4.120 0.000 0.000 0.309 54 V C -0.896 175.107 176.094 -0.151 0.000 1.077 54 V CA -1.395 60.831 62.300 -0.123 0.000 0.910 54 V CB 1.790 33.459 31.823 -0.256 0.000 1.008 54 V HN 0.400 nan 8.190 nan 0.000 0.424 55 L N 6.116 127.215 121.223 -0.207 0.000 2.628 55 L HA 0.369 4.709 4.340 0.000 0.000 0.274 55 L C 0.218 176.898 176.870 -0.316 0.000 1.209 55 L CA 1.461 56.143 54.840 -0.264 0.000 0.930 55 L CB 0.407 42.215 42.059 -0.417 0.000 1.183 55 L HN 0.875 nan 8.230 nan 0.000 0.492 56 T N 7.249 121.667 114.554 -0.227 0.000 2.786 56 T HA 0.598 4.949 4.350 0.000 0.000 0.283 56 T C -0.364 174.190 174.700 -0.243 0.000 0.992 56 T CA -0.358 61.631 62.100 -0.185 0.000 0.954 56 T CB 0.667 69.498 68.868 -0.060 0.000 0.934 56 T HN 0.462 nan 8.240 nan 0.000 0.440 57 L N 3.097 124.153 121.223 -0.280 0.000 2.385 57 L HA 0.586 4.926 4.340 0.000 0.000 0.273 57 L C 0.512 177.395 176.870 0.021 0.000 0.990 57 L CA -0.934 53.753 54.840 -0.255 0.000 0.821 57 L CB 2.125 43.912 42.059 -0.454 0.000 1.279 57 L HN 0.688 nan 8.230 nan 0.000 0.412 58 S N 1.486 117.172 115.700 -0.023 0.000 2.646 58 S HA 0.726 5.196 4.470 0.000 0.000 0.276 58 S C -0.859 173.770 174.600 0.049 0.000 1.222 58 S CA -0.527 57.669 58.200 -0.007 0.000 1.014 58 S CB 1.387 64.532 63.200 -0.091 0.000 0.991 58 S HN 0.487 nan 8.310 nan 0.000 0.533 59 Y N -1.089 119.176 120.300 -0.059 0.000 2.524 59 Y HA 0.824 5.374 4.550 0.000 0.000 0.347 59 Y C -0.607 175.152 175.900 -0.236 0.000 1.005 59 Y CA -0.902 57.115 58.100 -0.138 0.000 1.025 59 Y CB 1.323 39.701 38.460 -0.136 0.000 1.275 59 Y HN 0.976 nan 8.280 nan 0.000 0.460 60 S N 1.264 116.834 115.700 -0.217 0.000 2.607 60 S HA 0.757 5.227 4.470 0.000 0.000 0.273 60 S C -1.842 172.481 174.600 -0.463 0.000 1.148 60 S CA -0.886 57.122 58.200 -0.319 0.000 0.833 60 S CB 1.385 64.496 63.200 -0.149 0.000 1.130 60 S HN 0.509 nan 8.310 nan 0.000 0.470 61 F N 1.606 121.585 119.950 0.049 0.000 2.375 61 F HA 0.469 4.996 4.527 0.000 0.000 0.361 61 F C 0.338 176.163 175.800 0.042 0.000 1.117 61 F CA -0.990 57.006 58.000 -0.006 0.000 1.037 61 F CB 0.952 39.934 39.000 -0.031 0.000 1.192 61 F HN 0.451 nan 8.300 nan 0.000 0.452 62 L N 2.625 123.949 121.223 0.168 0.000 2.573 62 L HA -0.028 4.312 4.340 0.000 0.000 0.290 62 L C 1.429 178.515 176.870 0.359 0.000 1.247 62 L CA 0.449 55.422 54.840 0.221 0.000 0.876 62 L CB 0.389 42.611 42.059 0.272 0.000 1.123 62 L HN 0.818 nan 8.230 nan 0.000 0.505 63 T N -1.648 113.042 114.554 0.227 0.000 2.990 63 T HA 0.145 4.495 4.350 0.000 0.000 0.250 63 T C 0.268 175.072 174.700 0.172 0.000 1.041 63 T CA -0.159 62.079 62.100 0.231 0.000 1.010 63 T CB 0.253 69.193 68.868 0.120 0.000 1.003 63 T HN 0.699 nan 8.240 nan 0.000 0.499 64 K N 0.089 120.367 120.400 -0.203 0.000 2.578 64 K HA 0.557 4.877 4.320 0.000 0.000 0.287 64 K C -3.632 172.242 176.600 -1.211 0.000 1.010 64 K CA -2.204 53.643 56.287 -0.734 0.000 0.889 64 K CB 0.436 32.764 32.500 -0.286 0.000 1.514 64 K HN -0.250 nan 8.250 nan 0.000 0.424 65 P HA 0.007 nan 4.420 nan 0.000 0.266 65 P C -1.033 176.134 177.300 -0.220 0.000 1.195 65 P CA -0.030 62.610 63.100 -0.767 0.000 0.768 65 P CB 0.333 31.727 31.700 -0.509 0.000 0.838 66 N N 1.267 120.004 118.700 0.061 0.000 2.604 66 N HA 0.156 4.897 4.740 0.000 0.000 0.297 66 N C 0.459 176.043 175.510 0.123 0.000 1.266 66 N CA -0.367 52.749 53.050 0.111 0.000 0.961 66 N CB -0.336 38.278 38.487 0.211 0.000 1.166 66 N HN 0.116 nan 8.380 nan 0.000 0.601 67 D N -0.645 119.810 120.400 0.091 0.000 2.104 67 D HA -0.152 4.489 4.640 0.000 0.000 0.194 67 D C 1.395 177.773 176.300 0.129 0.000 0.994 67 D CA 1.131 55.184 54.000 0.089 0.000 0.830 67 D CB -0.441 40.402 40.800 0.073 0.000 0.959 67 D HN 0.482 nan 8.370 nan 0.000 0.452 68 F N 0.753 120.650 119.950 -0.089 0.000 2.069 68 F HA -0.210 4.317 4.527 0.000 0.000 0.298 68 F C 2.112 177.885 175.800 -0.046 0.000 1.113 68 F CA 1.062 58.992 58.000 -0.116 0.000 1.214 68 F CB -0.776 38.127 39.000 -0.162 0.000 0.978 68 F HN -0.081 nan 8.300 nan 0.000 0.474 69 F N 1.455 121.141 119.950 -0.439 0.000 2.134 69 F HA -0.193 4.334 4.527 0.000 0.000 0.299 69 F C 2.167 177.739 175.800 -0.380 0.000 1.097 69 F CA 2.288 59.932 58.000 -0.595 0.000 1.264 69 F CB -0.993 37.835 39.000 -0.286 0.000 1.001 69 F HN 0.071 nan 8.300 nan 0.000 0.479 70 N N -1.268 117.458 118.700 0.043 0.000 2.120 70 N HA -0.115 4.625 4.740 0.000 0.000 0.188 70 N C 0.122 175.469 175.510 -0.272 0.000 1.024 70 N CA 1.522 54.574 53.050 0.003 0.000 0.852 70 N CB -0.140 38.367 38.487 0.033 0.000 1.003 70 N HN 0.267 nan 8.380 nan 0.000 0.424 71 T N -2.374 111.859 114.554 -0.535 0.000 3.418 71 T HA 0.323 4.673 4.350 0.000 0.000 0.315 71 T C -2.588 171.408 174.700 -1.174 0.000 1.447 71 T CA -1.705 59.563 62.100 -1.386 0.000 1.641 71 T CB 1.486 69.619 68.868 -1.225 0.000 0.904 71 T HN -0.177 nan 8.240 nan 0.000 0.640 72 P HA -0.086 nan 4.420 nan 0.000 0.215 72 P C 1.351 178.467 177.300 -0.306 0.000 1.153 72 P CA 1.147 63.937 63.100 -0.517 0.000 0.853 72 P CB -0.238 31.110 31.700 -0.587 0.000 0.788 73 W N 0.935 122.074 121.300 -0.268 0.000 2.387 73 W HA -0.080 4.580 4.660 0.000 0.000 0.272 73 W C 1.255 177.589 176.519 -0.307 0.000 1.224 73 W CA 0.942 58.056 57.345 -0.385 0.000 1.210 73 W CB -1.597 27.511 29.460 -0.585 0.000 1.125 73 W HN -0.079 nan 8.180 nan 0.000 0.572 74 K N -0.927 119.019 120.400 -0.758 0.000 2.418 74 K HA -0.027 4.293 4.320 0.000 0.000 0.195 74 K C 0.837 176.964 176.600 -0.788 0.000 1.035 74 K CA 0.982 56.825 56.287 -0.739 0.000 1.003 74 K CB -0.205 31.656 32.500 -1.064 0.000 0.793 74 K HN 0.287 nan 8.250 nan 0.000 0.494 75 Y N -1.156 119.059 120.300 -0.142 0.000 2.585 75 Y HA 0.181 4.731 4.550 0.000 0.000 0.272 75 Y C 0.293 176.138 175.900 -0.091 0.000 1.119 75 Y CA -0.467 57.567 58.100 -0.110 0.000 1.255 75 Y CB 1.129 39.535 38.460 -0.090 0.000 1.284 75 Y HN -0.339 nan 8.280 nan 0.000 0.499 76 V N 1.259 121.233 119.914 0.100 0.000 2.447 76 V HA 0.160 4.280 4.120 0.000 0.000 0.292 76 V C 0.874 176.961 176.094 -0.011 0.000 1.021 76 V CA -0.381 61.955 62.300 0.060 0.000 0.850 76 V CB 1.392 33.302 31.823 0.145 0.000 1.005 76 V HN 0.346 nan 8.190 nan 0.000 0.426 77 S N 2.531 118.214 115.700 -0.028 0.000 2.372 77 S HA -0.265 4.205 4.470 0.000 0.000 0.227 77 S C 1.275 175.838 174.600 -0.061 0.000 1.044 77 S CA 2.096 60.266 58.200 -0.050 0.000 1.050 77 S CB -0.316 62.875 63.200 -0.015 0.000 0.901 77 S HN 0.775 nan 8.310 nan 0.000 0.447 78 D N 2.070 122.466 120.400 -0.006 0.000 2.149 78 D HA 0.012 4.652 4.640 0.000 0.000 0.198 78 D C 0.845 177.188 176.300 0.072 0.000 0.990 78 D CA 0.865 54.894 54.000 0.047 0.000 0.839 78 D CB -0.360 40.457 40.800 0.028 0.000 0.948 78 D HN 0.485 nan 8.370 nan 0.000 0.460 79 I N 0.479 121.041 120.570 -0.014 0.000 2.371 79 I HA 0.018 4.189 4.170 0.000 0.000 0.290 79 I C 0.537 176.633 176.117 -0.034 0.000 1.028 79 I CA -0.343 60.954 61.300 -0.004 0.000 1.345 79 I CB 0.764 38.711 38.000 -0.088 0.000 1.407 79 I HN -0.183 nan 8.210 nan 0.000 0.501 80 Y N 2.940 123.286 120.300 0.078 0.000 2.581 80 Y HA 0.186 4.736 4.550 0.000 0.000 0.271 80 Y C 1.186 177.194 175.900 0.181 0.000 1.100 80 Y CA 0.049 58.264 58.100 0.191 0.000 1.281 80 Y CB 0.785 39.266 38.460 0.035 0.000 1.237 80 Y HN 0.579 nan 8.280 nan 0.000 0.514 81 S N -0.662 115.132 115.700 0.157 0.000 2.543 81 S HA 0.427 4.897 4.470 0.000 0.000 0.271 81 S C -0.570 173.963 174.600 -0.113 0.000 1.148 81 S CA -0.584 57.622 58.200 0.010 0.000 0.914 81 S CB 0.681 63.929 63.200 0.081 0.000 1.096 81 S HN 0.190 nan 8.310 nan 0.000 0.471 82 L N 3.870 124.883 121.223 -0.350 0.000 2.728 82 L HA 0.425 4.765 4.340 0.000 0.000 0.238 82 L C 1.481 178.375 176.870 0.040 0.000 1.143 82 L CA 0.359 55.029 54.840 -0.283 0.000 0.937 82 L CB -0.490 41.042 42.059 -0.877 0.000 1.225 82 L HN 1.086 nan 8.230 nan 0.000 0.507 83 G N 1.156 109.988 108.800 0.054 0.000 2.509 83 G HA2 -0.323 3.638 3.960 0.000 0.000 0.259 83 G HA3 -0.323 3.638 3.960 0.000 0.000 0.259 83 G C -0.100 175.051 174.900 0.418 0.000 1.169 83 G CA -0.202 45.029 45.100 0.219 0.000 0.953 83 G HN 0.194 nan 8.290 nan 0.000 0.563 84 K N 0.285 120.929 120.400 0.407 0.000 2.234 84 K HA 0.546 4.866 4.320 0.000 0.000 0.282 84 K C -0.431 176.485 176.600 0.527 0.000 1.039 84 K CA -0.649 55.892 56.287 0.425 0.000 0.928 84 K CB 0.517 33.166 32.500 0.249 0.000 1.039 84 K HN 0.501 nan 8.250 nan 0.000 0.470 85 F N 3.133 123.231 119.950 0.246 0.000 2.375 85 F HA 0.342 4.869 4.527 0.000 0.000 0.333 85 F C -0.548 175.308 175.800 0.093 0.000 1.104 85 F CA 0.009 57.998 58.000 -0.018 0.000 1.149 85 F CB 1.088 39.629 39.000 -0.765 0.000 1.190 85 F HN 0.531 nan 8.300 nan 0.000 0.533 86 S N 4.238 119.353 115.700 -0.975 0.000 2.536 86 S HA 0.835 5.305 4.470 0.000 0.000 0.271 86 S C -0.940 173.154 174.600 -0.844 0.000 1.134 86 S CA -0.714 57.118 58.200 -0.613 0.000 0.897 86 S CB 0.987 64.082 63.200 -0.175 0.000 1.094 86 S HN 1.111 nan 8.310 nan 0.000 0.473 87 A N 1.978 124.602 122.820 -0.327 0.000 2.304 87 A HA 0.682 5.003 4.320 0.000 0.000 0.271 87 A C -0.289 177.362 177.584 0.110 0.000 1.091 87 A CA -0.445 51.584 52.037 -0.012 0.000 0.812 87 A CB -0.223 18.887 19.000 0.184 0.000 1.056 87 A HN 0.718 nan 8.150 nan 0.000 0.489 88 F N 1.664 121.575 119.950 -0.064 0.000 2.578 88 F HA 0.172 4.699 4.527 0.000 0.000 0.376 88 F C 1.659 177.338 175.800 -0.201 0.000 1.085 88 F CA 0.294 58.205 58.000 -0.149 0.000 1.260 88 F CB 0.399 39.274 39.000 -0.208 0.000 1.095 88 F HN 0.670 nan 8.300 nan 0.000 0.573 89 S N 2.770 118.369 115.700 -0.168 0.000 2.617 89 S HA 0.466 4.936 4.470 0.000 0.000 0.259 89 S C 1.222 175.702 174.600 -0.200 0.000 1.301 89 S CA -0.388 57.715 58.200 -0.162 0.000 0.984 89 S CB 0.908 63.998 63.200 -0.182 0.000 0.954 89 S HN 0.757 nan 8.310 nan 0.000 0.572 90 A N 0.274 122.997 122.820 -0.162 0.000 1.902 90 A HA -0.130 4.190 4.320 0.000 0.000 0.217 90 A C 2.282 179.748 177.584 -0.196 0.000 1.181 90 A CA 2.026 53.961 52.037 -0.169 0.000 0.623 90 A CB -1.339 17.592 19.000 -0.115 0.000 0.818 90 A HN 0.883 nan 8.150 nan 0.000 0.443 91 Q N -0.157 119.532 119.800 -0.186 0.000 2.084 91 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 91 Q C 2.120 177.970 176.000 -0.249 0.000 0.978 91 Q CA 2.244 57.935 55.803 -0.187 0.000 0.844 91 Q CB -0.436 28.202 28.738 -0.166 0.000 0.898 91 Q HN 0.750 nan 8.270 nan 0.000 0.426 92 Q N -0.503 119.092 119.800 -0.341 0.000 2.084 92 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 92 Q C 2.251 178.047 176.000 -0.341 0.000 0.978 92 Q CA 1.654 57.162 55.803 -0.491 0.000 0.844 92 Q CB -0.061 28.105 28.738 -0.953 0.000 0.898 92 Q HN 0.554 nan 8.270 nan 0.000 0.426 93 Q N -0.153 119.409 119.800 -0.398 0.000 2.084 93 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 93 Q C 2.122 177.914 176.000 -0.347 0.000 0.978 93 Q CA 1.223 56.618 55.803 -0.681 0.000 0.844 93 Q CB -0.166 27.974 28.738 -0.996 0.000 0.898 93 Q HN 0.359 nan 8.270 nan 0.000 0.426 94 A N 0.906 123.582 122.820 -0.242 0.000 1.902 94 A HA -0.205 4.115 4.320 0.000 0.000 0.217 94 A C 2.057 179.567 177.584 -0.124 0.000 1.181 94 A CA 1.181 53.132 52.037 -0.143 0.000 0.623 94 A CB -0.300 18.629 19.000 -0.118 0.000 0.818 94 A HN 0.236 nan 8.150 nan 0.000 0.443 95 Q N -0.634 119.078 119.800 -0.147 0.000 2.123 95 Q HA -0.032 4.308 4.340 0.000 0.000 0.199 95 Q C 2.414 178.343 176.000 -0.119 0.000 0.966 95 Q CA 1.376 57.107 55.803 -0.119 0.000 0.845 95 Q CB -0.633 28.023 28.738 -0.137 0.000 0.907 95 Q HN 0.656 nan 8.270 nan 0.000 0.439 96 A N 1.534 124.260 122.820 -0.157 0.000 1.902 96 A HA -0.202 4.118 4.320 0.000 0.000 0.217 96 A C 2.088 179.528 177.584 -0.241 0.000 1.181 96 A CA 1.558 53.470 52.037 -0.209 0.000 0.623 96 A CB -0.311 18.473 19.000 -0.360 0.000 0.818 96 A HN 0.250 nan 8.150 nan 0.000 0.443 97 K N -0.358 119.925 120.400 -0.196 0.000 2.097 97 K HA -0.021 4.299 4.320 0.000 0.000 0.206 97 K C 1.798 178.326 176.600 -0.119 0.000 1.049 97 K CA 1.308 57.471 56.287 -0.207 0.000 0.933 97 K CB -0.351 32.102 32.500 -0.078 0.000 0.717 97 K HN 0.478 nan 8.250 nan 0.000 0.442 98 L N 0.428 121.613 121.223 -0.063 0.000 2.093 98 L HA -0.163 4.177 4.340 0.000 0.000 0.208 98 L C 2.344 179.220 176.870 0.010 0.000 1.085 98 L CA 0.963 55.806 54.840 0.005 0.000 0.755 98 L CB -0.356 41.717 42.059 0.024 0.000 0.904 98 L HN 0.110 nan 8.230 nan 0.000 0.435 99 S N 0.104 115.784 115.700 -0.034 0.000 2.368 99 S HA -0.089 4.381 4.470 0.000 0.000 0.224 99 S C 2.000 176.625 174.600 0.043 0.000 1.029 99 S CA 1.015 59.200 58.200 -0.024 0.000 0.988 99 S CB -0.215 63.005 63.200 0.034 0.000 0.838 99 S HN 0.253 nan 8.310 nan 0.000 0.462 100 L N 1.389 122.574 121.223 -0.062 0.000 2.012 100 L HA -0.217 4.123 4.340 0.000 0.000 0.210 100 L C 2.838 179.760 176.870 0.086 0.000 1.073 100 L CA 1.647 56.356 54.840 -0.219 0.000 0.748 100 L CB -0.544 41.045 42.059 -0.784 0.000 0.891 100 L HN 0.391 nan 8.230 nan 0.000 0.431 101 Q N -0.009 119.837 119.800 0.077 0.000 2.135 101 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 101 Q C 2.243 178.375 176.000 0.221 0.000 0.981 101 Q CA 2.177 58.099 55.803 0.197 0.000 0.856 101 Q CB -0.029 28.793 28.738 0.141 0.000 0.902 101 Q HN 0.607 nan 8.270 nan 0.000 0.425 102 S N -1.329 114.444 115.700 0.122 0.000 2.423 102 S HA -0.144 4.327 4.470 0.000 0.000 0.231 102 S C 1.339 175.914 174.600 -0.041 0.000 1.014 102 S CA 0.779 58.983 58.200 0.007 0.000 0.965 102 S CB -0.624 62.373 63.200 -0.338 0.000 0.785 102 S HN 0.585 nan 8.310 nan 0.000 0.495 103 W N 2.390 123.768 121.300 0.130 0.000 2.480 103 W HA 0.054 4.715 4.660 0.000 0.000 0.299 103 W C 3.068 179.689 176.519 0.169 0.000 1.187 103 W CA 0.747 58.183 57.345 0.151 0.000 1.347 103 W CB -0.376 29.213 29.460 0.215 0.000 1.121 103 W HN 0.435 nan 8.180 nan 0.000 0.533 104 S N -0.509 115.492 115.700 0.501 0.000 2.474 104 S HA -0.166 4.304 4.470 0.000 0.000 0.235 104 S C 1.200 175.929 174.600 0.216 0.000 0.997 104 S CA 1.421 59.784 58.200 0.272 0.000 0.949 104 S CB -0.446 62.920 63.200 0.276 0.000 0.766 104 S HN 0.123 nan 8.310 nan 0.000 0.517 105 D N 1.720 122.272 120.400 0.253 0.000 2.178 105 D HA -0.043 4.597 4.640 0.000 0.000 0.202 105 D C 2.105 178.564 176.300 0.266 0.000 0.974 105 D CA 1.447 55.615 54.000 0.280 0.000 0.841 105 D CB -0.141 40.861 40.800 0.337 0.000 0.953 105 D HN 0.561 nan 8.370 nan 0.000 0.478 106 V N -3.148 116.827 119.914 0.101 0.000 3.471 106 V HA 0.214 4.335 4.120 0.000 0.000 0.258 106 V C 0.904 176.794 176.094 -0.340 0.000 1.192 106 V CA 0.515 62.638 62.300 -0.295 0.000 1.116 106 V CB 0.522 32.181 31.823 -0.273 0.000 0.792 106 V HN -0.008 nan 8.190 nan 0.000 0.459 107 T N 0.609 115.128 114.554 -0.058 0.000 2.838 107 T HA 0.433 4.783 4.350 0.000 0.000 0.292 107 T C -0.939 173.749 174.700 -0.020 0.000 1.113 107 T CA -0.671 61.410 62.100 -0.031 0.000 1.008 107 T CB 1.563 70.480 68.868 0.081 0.000 1.259 107 T HN 0.434 nan 8.240 nan 0.000 0.520 108 N N 1.821 120.502 118.700 -0.030 0.000 2.807 108 N HA 0.469 5.209 4.740 0.000 0.000 0.259 108 N C -0.890 174.450 175.510 -0.284 0.000 1.149 108 N CA 0.034 53.004 53.050 -0.134 0.000 1.042 108 N CB -0.126 38.310 38.487 -0.084 0.000 1.367 108 N HN 0.383 nan 8.380 nan 0.000 0.516 109 I N 1.016 121.350 120.570 -0.394 0.000 2.656 109 I HA 0.225 4.395 4.170 0.000 0.000 0.292 109 I C -0.887 174.891 176.117 -0.565 0.000 1.144 109 I CA -0.850 60.094 61.300 -0.595 0.000 1.038 109 I CB 1.875 39.408 38.000 -0.779 0.000 1.244 109 I HN 0.345 nan 8.210 nan 0.000 0.420 110 H N 5.572 124.386 119.070 -0.427 0.000 2.595 110 H HA 0.406 4.962 4.556 0.000 0.000 0.313 110 H C -0.977 174.182 175.328 -0.282 0.000 1.023 110 H CA -0.657 55.237 56.048 -0.257 0.000 1.218 110 H CB 0.975 30.660 29.762 -0.129 0.000 1.403 110 H HN 0.226 nan 8.280 nan 0.000 0.477 111 F N 2.167 122.204 119.950 0.144 0.000 2.396 111 F HA 0.251 4.778 4.527 0.000 0.000 0.343 111 F C 0.545 176.460 175.800 0.191 0.000 1.104 111 F CA -0.499 57.596 58.000 0.157 0.000 1.161 111 F CB 1.041 40.147 39.000 0.176 0.000 1.146 111 F HN 0.113 nan 8.300 nan 0.000 0.522 112 V N 2.982 123.089 119.914 0.321 0.000 2.487 112 V HA 0.183 4.303 4.120 0.000 0.000 0.298 112 V C -0.436 175.488 176.094 -0.282 0.000 1.028 112 V CA -1.059 61.280 62.300 0.064 0.000 0.860 112 V CB 1.697 33.512 31.823 -0.014 0.000 0.991 112 V HN 0.550 nan 8.190 nan 0.000 0.427 113 D N 3.884 124.057 120.400 -0.378 0.000 2.382 113 D HA 0.272 4.912 4.640 0.000 0.000 0.259 113 D C 0.605 176.622 176.300 -0.471 0.000 1.224 113 D CA 0.224 53.760 54.000 -0.773 0.000 0.894 113 D CB 1.812 42.452 40.800 -0.266 0.000 1.127 113 D HN 0.686 nan 8.370 nan 0.000 0.487 114 A N 3.185 125.683 122.820 -0.536 0.000 2.465 114 A HA 0.557 4.877 4.320 0.000 0.000 0.255 114 A C 1.218 178.700 177.584 -0.169 0.000 1.274 114 A CA 0.603 52.480 52.037 -0.267 0.000 0.920 114 A CB -0.288 18.578 19.000 -0.223 0.000 1.033 114 A HN 0.862 nan 8.150 nan 0.000 0.516 115 G N -0.157 108.552 108.800 -0.152 0.000 2.539 115 G HA2 -0.191 3.769 3.960 0.000 0.000 0.256 115 G HA3 -0.191 3.769 3.960 0.000 0.000 0.256 115 G C -0.564 174.379 174.900 0.072 0.000 1.233 115 G CA -0.101 44.992 45.100 -0.011 0.000 0.936 115 G HN 0.538 nan 8.290 nan 0.000 0.571 116 Q N 1.542 121.392 119.800 0.085 0.000 2.314 116 Q HA 0.623 4.963 4.340 0.000 0.000 0.259 116 Q C 0.610 176.653 176.000 0.071 0.000 0.951 116 Q CA 0.419 56.296 55.803 0.123 0.000 0.909 116 Q CB 0.943 29.750 28.738 0.115 0.000 1.236 116 Q HN 2.321 nan 8.270 nan 0.000 0.444 117 G N 1.901 110.745 108.800 0.074 0.000 2.278 117 G HA2 -0.111 3.849 3.960 0.000 0.000 0.265 117 G HA3 -0.111 3.849 3.960 0.000 0.000 0.265 117 G C -1.337 173.574 174.900 0.018 0.000 1.329 117 G CA -0.510 44.614 45.100 0.040 0.000 1.017 117 G HN 0.493 nan 8.290 nan 0.000 0.472 118 D N -0.130 120.272 120.400 0.003 0.000 2.772 118 D HA 0.351 4.991 4.640 0.000 0.000 0.272 118 D C 1.513 177.804 176.300 -0.015 0.000 1.314 118 D CA 0.056 54.053 54.000 -0.005 0.000 0.835 118 D CB 0.245 41.049 40.800 0.008 0.000 1.080 118 D HN 0.400 nan 8.370 nan 0.000 0.482 119 Q N -0.750 119.033 119.800 -0.028 0.000 2.396 119 Q HA 0.232 4.572 4.340 0.000 0.000 0.209 119 Q C 1.119 177.093 176.000 -0.042 0.000 0.906 119 Q CA -0.030 55.754 55.803 -0.032 0.000 0.927 119 Q CB 0.981 29.697 28.738 -0.037 0.000 1.069 119 Q HN 0.229 nan 8.270 nan 0.000 0.523 120 G N 0.618 109.381 108.800 -0.062 0.000 2.483 120 G HA2 -0.028 3.932 3.960 0.000 0.000 0.248 120 G HA3 -0.028 3.932 3.960 0.000 0.000 0.248 120 G C -0.009 174.878 174.900 -0.022 0.000 1.248 120 G CA -0.406 44.655 45.100 -0.065 0.000 0.838 120 G HN 0.026 nan 8.290 nan 0.000 0.566 121 D N 0.109 120.501 120.400 -0.014 0.000 2.178 121 D HA -0.071 4.569 4.640 0.000 0.000 0.201 121 D C 0.991 177.341 176.300 0.083 0.000 0.980 121 D CA 1.099 55.127 54.000 0.048 0.000 0.842 121 D CB 0.211 40.935 40.800 -0.126 0.000 0.948 121 D HN 0.169 nan 8.370 nan 0.000 0.472 122 L N 0.531 121.747 121.223 -0.012 0.000 2.346 122 L HA 0.362 4.703 4.340 0.000 0.000 0.276 122 L C 0.162 176.920 176.870 -0.186 0.000 1.006 122 L CA -0.546 54.241 54.840 -0.088 0.000 0.817 122 L CB 2.144 44.137 42.059 -0.110 0.000 1.272 122 L HN -0.153 nan 8.230 nan 0.000 0.421 123 T N -1.426 112.918 114.554 -0.350 0.000 2.906 123 T HA 0.758 5.108 4.350 0.000 0.000 0.295 123 T C -0.831 173.446 174.700 -0.705 0.000 1.075 123 T CA -0.646 61.238 62.100 -0.360 0.000 1.005 123 T CB 1.846 70.594 68.868 -0.201 0.000 1.136 123 T HN 0.148 nan 8.240 nan 0.000 0.498 124 F N -0.093 119.530 119.950 -0.544 0.000 2.551 124 F HA 0.848 5.376 4.527 0.000 0.000 0.316 124 F C 0.711 176.073 175.800 -0.731 0.000 1.089 124 F CA -0.423 57.137 58.000 -0.733 0.000 0.915 124 F CB 2.740 41.022 39.000 -1.196 0.000 1.186 124 F HN 1.177 nan 8.300 nan 0.000 0.456 125 G N 1.346 109.872 108.800 -0.457 0.000 2.646 125 G HA2 0.482 4.443 3.960 0.000 0.000 0.291 125 G HA3 0.482 4.443 3.960 0.000 0.000 0.291 125 G C -2.117 173.060 174.900 0.461 0.000 1.445 125 G CA -1.058 43.943 45.100 -0.164 0.000 0.814 125 G HN 0.611 nan 8.290 nan 0.000 0.495 126 N N -0.895 118.086 118.700 0.469 0.000 2.384 126 N HA 0.800 5.541 4.740 0.000 0.000 0.301 126 N C -1.017 174.947 175.510 0.756 0.000 1.133 126 N CA -0.711 52.692 53.050 0.588 0.000 0.853 126 N CB 2.061 40.679 38.487 0.218 0.000 1.241 126 N HN 0.571 nan 8.380 nan 0.000 0.502 127 F N -1.687 118.569 119.950 0.510 0.000 2.613 127 F HA 0.587 5.114 4.527 0.000 0.000 0.314 127 F C 0.577 176.571 175.800 0.324 0.000 1.075 127 F CA -1.137 57.166 58.000 0.506 0.000 0.945 127 F CB 1.162 40.462 39.000 0.498 0.000 1.310 127 F HN 0.442 nan 8.300 nan 0.000 0.467 128 S N -0.837 115.010 115.700 0.246 0.000 2.505 128 S HA 0.267 4.737 4.470 0.000 0.000 0.216 128 S C 0.027 174.668 174.600 0.068 0.000 1.018 128 S CA 0.112 58.351 58.200 0.064 0.000 0.911 128 S CB -0.374 62.903 63.200 0.129 0.000 0.818 128 S HN 0.473 nan 8.310 nan 0.000 0.497 129 S N 2.843 118.676 115.700 0.222 0.000 2.434 129 S HA 0.491 4.961 4.470 0.000 0.000 0.318 129 S C -0.090 174.704 174.600 0.324 0.000 1.062 129 S CA -0.457 57.871 58.200 0.213 0.000 1.116 129 S CB 1.053 64.365 63.200 0.188 0.000 0.977 129 S HN 0.526 nan 8.310 nan 0.000 0.480 130 S N 2.252 118.065 115.700 0.189 0.000 2.558 130 S HA 0.058 4.528 4.470 0.000 0.000 0.287 130 S C 0.952 175.710 174.600 0.264 0.000 1.321 130 S CA -0.336 58.012 58.200 0.247 0.000 1.048 130 S CB 0.229 63.476 63.200 0.079 0.000 0.844 130 S HN 0.772 nan 8.310 nan 0.000 0.512 131 V N 1.888 121.982 119.914 0.300 0.000 3.085 131 V HA 0.693 4.813 4.120 0.000 0.000 0.345 131 V C 1.171 177.327 176.094 0.102 0.000 1.397 131 V CA 0.317 62.702 62.300 0.141 0.000 1.165 131 V CB -0.476 31.353 31.823 0.011 0.000 1.153 131 V HN 1.279 nan 8.190 nan 0.000 0.495 132 G N -0.915 107.953 108.800 0.113 0.000 2.545 132 G HA2 0.126 4.086 3.960 0.000 0.000 0.195 132 G HA3 0.126 4.086 3.960 0.000 0.000 0.195 132 G C 0.455 175.391 174.900 0.061 0.000 1.009 132 G CA 0.019 45.167 45.100 0.079 0.000 0.703 132 G HN 1.415 nan 8.290 nan 0.000 0.479 133 G N -1.117 107.742 108.800 0.099 0.000 3.086 133 G HA2 0.730 4.690 3.960 0.000 0.000 0.282 133 G HA3 0.730 4.690 3.960 0.000 0.000 0.282 133 G C 0.847 175.747 174.900 -0.001 0.000 1.343 133 G CA 0.949 46.069 45.100 0.034 0.000 0.895 133 G HN 1.212 nan 8.290 nan 0.000 0.557 134 A N -1.591 121.194 122.820 -0.058 0.000 2.123 134 A HA 0.719 5.039 4.320 0.000 0.000 0.214 134 A C 1.088 178.768 177.584 0.161 0.000 1.152 134 A CA 1.922 53.920 52.037 -0.064 0.000 0.728 134 A CB -0.406 18.619 19.000 0.041 0.000 0.814 134 A HN 2.164 nan 8.150 nan 0.000 0.464 135 A N -1.740 121.209 122.820 0.215 0.000 2.490 135 A HA 0.622 4.942 4.320 0.000 0.000 0.292 135 A C -1.074 176.651 177.584 0.236 0.000 1.047 135 A CA -0.145 52.004 52.037 0.187 0.000 0.632 135 A CB 0.069 19.006 19.000 -0.107 0.000 1.323 135 A HN 1.388 nan 8.150 nan 0.000 0.448 136 F N -2.964 116.979 119.950 -0.011 0.000 2.741 136 F HA 0.960 5.487 4.527 0.000 0.000 0.311 136 F C -0.447 175.225 175.800 -0.214 0.000 1.149 136 F CA -0.492 57.455 58.000 -0.088 0.000 0.930 136 F CB 1.011 39.923 39.000 -0.147 0.000 1.312 136 F HN 1.862 nan 8.300 nan 0.000 0.450 137 A N 0.745 123.511 122.820 -0.090 0.000 2.599 137 A HA 0.827 5.148 4.320 0.000 0.000 0.290 137 A C -2.403 174.880 177.584 -0.501 0.000 1.101 137 A CA -0.794 51.080 52.037 -0.271 0.000 0.674 137 A CB 1.136 20.123 19.000 -0.021 0.000 1.277 137 A HN 0.715 nan 8.150 nan 0.000 0.419 138 F N 0.418 120.364 119.950 -0.006 0.000 2.495 138 F HA 0.606 5.133 4.527 0.000 0.000 0.327 138 F C 0.362 176.105 175.800 -0.095 0.000 1.103 138 F CA -0.596 57.348 58.000 -0.092 0.000 0.949 138 F CB 1.544 40.465 39.000 -0.131 0.000 1.142 138 F HN 0.452 nan 8.300 nan 0.000 0.457 139 L N 4.639 125.889 121.223 0.044 0.000 2.473 139 L HA 0.174 4.514 4.340 0.000 0.000 0.268 139 L C -1.242 175.577 176.870 -0.086 0.000 1.215 139 L CA -1.473 53.356 54.840 -0.019 0.000 0.823 139 L CB 0.491 42.511 42.059 -0.064 0.000 1.099 139 L HN 0.436 nan 8.230 nan 0.000 0.483 140 P HA -0.067 nan 4.420 nan 0.000 0.258 140 P C -0.138 176.920 177.300 -0.402 0.000 1.319 140 P CA 0.410 63.220 63.100 -0.483 0.000 0.785 140 P CB -0.082 31.089 31.700 -0.881 0.000 1.252 141 D N -0.838 119.418 120.400 -0.240 0.000 2.363 141 D HA 0.016 4.656 4.640 0.000 0.000 0.214 141 D C 0.848 177.041 176.300 -0.179 0.000 1.093 141 D CA -0.422 53.460 54.000 -0.195 0.000 0.837 141 D CB -0.580 40.138 40.800 -0.137 0.000 0.948 141 D HN 0.063 nan 8.370 nan 0.000 0.507 142 V N -2.491 117.302 119.914 -0.203 0.000 3.134 142 V HA 0.585 4.705 4.120 0.000 0.000 0.313 142 V C -2.203 173.751 176.094 -0.233 0.000 1.069 142 V CA -1.791 60.382 62.300 -0.212 0.000 1.048 142 V CB 0.607 32.270 31.823 -0.266 0.000 1.119 142 V HN -0.129 nan 8.190 nan 0.000 0.461 143 P HA 0.195 nan 4.420 nan 0.000 0.270 143 P C -0.245 176.920 177.300 -0.224 0.000 1.223 143 P CA 0.037 63.025 63.100 -0.187 0.000 0.785 143 P CB 0.598 32.216 31.700 -0.136 0.000 0.923 144 D N 1.286 121.584 120.400 -0.171 0.000 2.228 144 D HA -0.159 4.481 4.640 0.000 0.000 0.203 144 D C 1.914 178.101 176.300 -0.189 0.000 0.988 144 D CA 1.851 55.758 54.000 -0.155 0.000 0.864 144 D CB -0.520 40.222 40.800 -0.096 0.000 0.928 144 D HN 0.449 nan 8.370 nan 0.000 0.469 145 A N -0.575 122.097 122.820 -0.247 0.000 2.172 145 A HA 0.021 4.341 4.320 0.000 0.000 0.216 145 A C 1.811 179.082 177.584 -0.521 0.000 1.154 145 A CA 0.798 52.602 52.037 -0.387 0.000 0.701 145 A CB -0.138 18.539 19.000 -0.538 0.000 0.789 145 A HN 0.283 nan 8.150 nan 0.000 0.465 146 L N -2.142 118.768 121.223 -0.522 0.000 2.902 146 L HA 0.197 4.537 4.340 0.000 0.000 0.254 146 L C 0.854 177.494 176.870 -0.384 0.000 1.115 146 L CA -0.277 54.132 54.840 -0.719 0.000 0.947 146 L CB 0.052 41.315 42.059 -1.327 0.000 1.369 146 L HN 0.140 nan 8.230 nan 0.000 0.538 147 K N 1.341 121.578 120.400 -0.272 0.000 2.511 147 K HA 0.085 4.405 4.320 0.000 0.000 0.280 147 K C 1.185 177.798 176.600 0.022 0.000 1.008 147 K CA 1.172 57.365 56.287 -0.156 0.000 1.050 147 K CB 0.289 32.643 32.500 -0.245 0.000 0.889 147 K HN 0.252 nan 8.250 nan 0.000 0.484 148 G N 2.528 111.412 108.800 0.139 0.000 2.189 148 G HA2 -0.311 3.649 3.960 0.000 0.000 0.267 148 G HA3 -0.311 3.649 3.960 0.000 0.000 0.267 148 G C -0.181 174.726 174.900 0.011 0.000 0.975 148 G CA 0.385 45.620 45.100 0.224 0.000 0.644 148 G HN 0.660 nan 8.290 nan 0.000 0.537 149 Q N 0.544 120.380 119.800 0.061 0.000 2.261 149 Q HA 0.558 4.898 4.340 0.000 0.000 0.252 149 Q C 0.123 176.054 176.000 -0.115 0.000 0.915 149 Q CA 0.362 56.150 55.803 -0.025 0.000 0.915 149 Q CB 1.527 30.418 28.738 0.256 0.000 1.204 149 Q HN 0.647 nan 8.270 nan 0.000 0.421 150 S N 1.095 116.535 115.700 -0.434 0.000 2.538 150 S HA 0.668 5.138 4.470 0.000 0.000 0.288 150 S C -1.547 172.680 174.600 -0.620 0.000 1.108 150 S CA -0.864 57.076 58.200 -0.432 0.000 0.971 150 S CB 0.933 63.959 63.200 -0.292 0.000 1.041 150 S HN 0.547 nan 8.310 nan 0.000 0.483 151 W N 1.282 122.152 121.300 -0.717 0.000 2.819 151 W HA 0.657 5.317 4.660 0.000 0.000 0.337 151 W C -1.554 174.697 176.519 -0.447 0.000 1.077 151 W CA -0.649 56.407 57.345 -0.481 0.000 1.226 151 W CB 1.549 30.397 29.460 -1.020 0.000 1.419 151 W HN 0.667 nan 8.180 nan 0.000 0.502 152 Y N 2.976 123.692 120.300 0.694 0.000 2.361 152 Y HA 0.450 5.000 4.550 0.000 0.000 0.337 152 Y C -0.199 175.839 175.900 0.230 0.000 0.965 152 Y CA -1.360 57.042 58.100 0.504 0.000 1.091 152 Y CB 1.150 39.816 38.460 0.343 0.000 1.182 152 Y HN 0.159 nan 8.280 nan 0.000 0.450 153 L N 5.228 126.436 121.223 -0.025 0.000 2.410 153 L HA 0.491 4.831 4.340 0.000 0.000 0.273 153 L C -0.907 175.926 176.870 -0.060 0.000 1.144 153 L CA 0.309 54.838 54.840 -0.518 0.000 0.863 153 L CB -0.182 41.630 42.059 -0.410 0.000 1.140 153 L HN 0.561 nan 8.230 nan 0.000 0.463 154 I N 5.561 126.063 120.570 -0.113 0.000 2.548 154 I HA 0.425 4.595 4.170 0.000 0.000 0.287 154 I C -1.130 174.983 176.117 -0.007 0.000 1.103 154 I CA -0.582 60.711 61.300 -0.011 0.000 1.049 154 I CB 1.724 39.713 38.000 -0.019 0.000 1.232 154 I HN 0.839 nan 8.210 nan 0.000 0.429 155 N N 2.063 120.778 118.700 0.026 0.000 3.179 155 N HA 0.168 4.908 4.740 0.000 0.000 0.250 155 N C 0.323 175.854 175.510 0.034 0.000 1.507 155 N CA -0.402 52.666 53.050 0.031 0.000 0.883 155 N CB 0.719 39.227 38.487 0.036 0.000 1.435 155 N HN 0.290 nan 8.380 nan 0.000 0.532 156 S N -1.181 114.538 115.700 0.032 0.000 2.465 156 S HA -0.110 4.360 4.470 0.000 0.000 0.241 156 S C 0.895 175.516 174.600 0.034 0.000 1.000 156 S CA 1.358 59.572 58.200 0.024 0.000 0.964 156 S CB -0.668 62.546 63.200 0.024 0.000 0.763 156 S HN 0.501 nan 8.310 nan 0.000 0.512 157 S N -0.752 114.984 115.700 0.059 0.000 2.517 157 S HA 0.318 4.788 4.470 0.000 0.000 0.214 157 S C -0.468 174.226 174.600 0.156 0.000 0.991 157 S CA -0.358 57.891 58.200 0.081 0.000 0.906 157 S CB -0.034 63.209 63.200 0.071 0.000 0.789 157 S HN 0.674 nan 8.310 nan 0.000 0.513 158 Y N 1.503 121.790 120.300 -0.022 0.000 2.332 158 Y HA 0.422 4.972 4.550 0.000 0.000 0.325 158 Y C 0.335 176.218 175.900 -0.028 0.000 1.054 158 Y CA -1.242 56.844 58.100 -0.023 0.000 1.119 158 Y CB 1.319 39.764 38.460 -0.026 0.000 1.168 158 Y HN 0.010 nan 8.280 nan 0.000 0.439 159 S N 2.599 118.042 115.700 -0.429 0.000 2.629 159 S HA 0.290 4.760 4.470 0.000 0.000 0.236 159 S C 1.521 175.862 174.600 -0.433 0.000 1.010 159 S CA 0.212 58.211 58.200 -0.336 0.000 0.981 159 S CB 0.427 63.515 63.200 -0.186 0.000 0.919 159 S HN 0.689 nan 8.310 nan 0.000 0.514 160 A N 3.030 125.379 122.820 -0.785 0.000 2.024 160 A HA -0.085 4.235 4.320 0.000 0.000 0.220 160 A C 1.914 179.351 177.584 -0.246 0.000 1.164 160 A CA 1.486 53.240 52.037 -0.472 0.000 0.643 160 A CB -0.555 18.170 19.000 -0.458 0.000 0.806 160 A HN 0.583 nan 8.150 nan 0.000 0.451 161 N N -0.381 118.187 118.700 -0.220 0.000 2.353 161 N HA 0.031 4.772 4.740 0.000 0.000 0.185 161 N C 1.418 176.800 175.510 -0.213 0.000 1.098 161 N CA 0.790 53.762 53.050 -0.129 0.000 0.872 161 N CB 0.183 38.682 38.487 0.020 0.000 0.970 161 N HN 0.295 nan 8.380 nan 0.000 0.467 162 V N 0.906 120.699 119.914 -0.202 0.000 2.307 162 V HA -0.086 4.034 4.120 0.000 0.000 0.245 162 V C 1.131 177.105 176.094 -0.201 0.000 1.045 162 V CA 1.133 63.314 62.300 -0.197 0.000 1.024 162 V CB -0.223 31.507 31.823 -0.155 0.000 0.651 162 V HN 0.374 nan 8.190 nan 0.000 0.449 163 N N 0.590 119.187 118.700 -0.170 0.000 2.918 163 N HA 0.236 4.976 4.740 0.000 0.000 0.270 163 N C -2.957 172.475 175.510 -0.130 0.000 1.536 163 N CA -1.325 51.637 53.050 -0.146 0.000 0.877 163 N CB 1.458 39.880 38.487 -0.109 0.000 1.190 163 N HN 0.233 nan 8.380 nan 0.000 0.492 164 P HA 0.231 nan 4.420 nan 0.000 0.268 164 P C -1.090 176.157 177.300 -0.089 0.000 1.205 164 P CA -0.048 62.976 63.100 -0.126 0.000 0.771 164 P CB 1.129 32.727 31.700 -0.170 0.000 0.858 165 A N 2.273 125.065 122.820 -0.047 0.000 2.612 165 A HA 0.466 4.786 4.320 0.000 0.000 0.293 165 A C -0.736 176.854 177.584 0.010 0.000 1.075 165 A CA -0.729 51.294 52.037 -0.024 0.000 0.680 165 A CB 0.664 19.652 19.000 -0.020 0.000 1.279 165 A HN 0.461 nan 8.150 nan 0.000 0.411 166 N N 0.353 119.066 118.700 0.021 0.000 2.294 166 N HA 0.311 5.051 4.740 0.000 0.000 0.263 166 N C 1.346 176.895 175.510 0.066 0.000 1.281 166 N CA 2.579 55.661 53.050 0.052 0.000 0.846 166 N CB 0.242 38.759 38.487 0.051 0.000 1.061 166 N HN 2.076 nan 8.380 nan 0.000 0.478 167 G N 2.027 110.878 108.800 0.085 0.000 2.205 167 G HA2 -0.345 3.615 3.960 0.000 0.000 0.261 167 G HA3 -0.345 3.615 3.960 0.000 0.000 0.261 167 G C 0.175 175.188 174.900 0.188 0.000 0.980 167 G CA 0.595 45.762 45.100 0.110 0.000 0.632 167 G HN 1.020 nan 8.290 nan 0.000 0.533 168 N N -1.054 117.745 118.700 0.164 0.000 2.478 168 N HA 0.507 5.247 4.740 0.000 0.000 0.275 168 N C 0.843 176.472 175.510 0.198 0.000 1.221 168 N CA -0.623 52.567 53.050 0.233 0.000 0.979 168 N CB 0.219 38.781 38.487 0.125 0.000 1.202 168 N HN 0.064 nan 8.380 nan 0.000 0.564 169 Y N -0.138 120.120 120.300 -0.069 0.000 2.224 169 Y HA 0.065 4.616 4.550 0.000 0.000 0.289 169 Y C 2.215 178.016 175.900 -0.165 0.000 1.146 169 Y CA 2.222 60.096 58.100 -0.378 0.000 1.182 169 Y CB -0.699 37.442 38.460 -0.530 0.000 0.983 169 Y HN 0.730 nan 8.280 nan 0.000 0.524 170 G N -0.392 108.366 108.800 -0.071 0.000 2.418 170 G HA2 -0.336 3.624 3.960 0.000 0.000 0.217 170 G HA3 -0.336 3.624 3.960 0.000 0.000 0.217 170 G C 1.745 176.574 174.900 -0.118 0.000 1.158 170 G CA 1.048 46.081 45.100 -0.112 0.000 0.771 170 G HN 0.316 nan 8.290 nan 0.000 0.545 171 R N 0.436 120.887 120.500 -0.081 0.000 2.075 171 R HA 0.001 4.342 4.340 0.000 0.000 0.232 171 R C 2.499 178.767 176.300 -0.054 0.000 1.126 171 R CA 2.010 58.075 56.100 -0.058 0.000 0.963 171 R CB -0.786 29.498 30.300 -0.025 0.000 0.858 171 R HN 0.477 nan 8.270 nan 0.000 0.435 172 Q N -0.748 119.002 119.800 -0.084 0.000 2.124 172 Q HA -0.122 4.219 4.340 0.000 0.000 0.202 172 Q C 1.354 177.307 176.000 -0.078 0.000 0.977 172 Q CA 2.052 57.812 55.803 -0.072 0.000 0.850 172 Q CB -0.031 28.672 28.738 -0.058 0.000 0.901 172 Q HN 0.405 nan 8.270 nan 0.000 0.429 173 T N 1.361 115.778 114.554 -0.229 0.000 2.720 173 T HA -0.155 4.195 4.350 0.000 0.000 0.268 173 T C 1.756 176.589 174.700 0.223 0.000 1.037 173 T CA 1.254 63.279 62.100 -0.124 0.000 1.144 173 T CB -0.188 68.574 68.868 -0.177 0.000 0.864 173 T HN 0.249 nan 8.240 nan 0.000 0.444 174 L N 0.608 121.964 121.223 0.221 0.000 2.017 174 L HA -0.137 4.203 4.340 0.000 0.000 0.208 174 L C 2.960 180.042 176.870 0.353 0.000 1.073 174 L CA 1.363 56.405 54.840 0.335 0.000 0.745 174 L CB -1.059 41.074 42.059 0.124 0.000 0.894 174 L HN 0.275 nan 8.230 nan 0.000 0.432 175 T N -2.246 112.454 114.554 0.244 0.000 2.720 175 T HA -0.284 4.066 4.350 0.000 0.000 0.268 175 T C 1.729 176.721 174.700 0.486 0.000 1.037 175 T CA 1.772 64.067 62.100 0.326 0.000 1.144 175 T CB -0.417 68.481 68.868 0.050 0.000 0.864 175 T HN 0.499 nan 8.240 nan 0.000 0.444 176 H N 1.183 120.386 119.070 0.221 0.000 2.270 176 H HA -0.067 4.489 4.556 0.000 0.000 0.299 176 H C 2.331 177.702 175.328 0.070 0.000 1.077 176 H CA 1.605 57.742 56.048 0.150 0.000 1.294 176 H CB 0.111 29.921 29.762 0.081 0.000 1.371 176 H HN 0.122 nan 8.280 nan 0.000 0.491 177 E N 0.587 121.061 120.200 0.455 0.000 2.110 177 E HA -0.148 4.202 4.350 0.000 0.000 0.193 177 E C 2.517 179.236 176.600 0.198 0.000 0.988 177 E CA 1.053 57.665 56.400 0.354 0.000 0.804 177 E CB -0.172 29.670 29.700 0.237 0.000 0.745 177 E HN 0.645 nan 8.360 nan 0.000 0.458 178 I N 0.870 121.580 120.570 0.232 0.000 2.286 178 I HA -0.183 3.987 4.170 0.000 0.000 0.248 178 I C 2.464 178.493 176.117 -0.147 0.000 1.115 178 I CA 1.185 62.540 61.300 0.092 0.000 1.392 178 I CB -0.564 37.568 38.000 0.219 0.000 1.065 178 I HN 0.115 nan 8.210 nan 0.000 0.418 179 G N 0.156 108.850 108.800 -0.177 0.000 2.469 179 G HA2 -0.274 3.686 3.960 0.000 0.000 0.219 179 G HA3 -0.274 3.686 3.960 0.000 0.000 0.219 179 G C 1.507 176.230 174.900 -0.294 0.000 1.150 179 G CA 0.810 45.601 45.100 -0.515 0.000 0.763 179 G HN 0.349 nan 8.290 nan 0.000 0.561 180 H N 0.870 119.866 119.070 -0.124 0.000 2.321 180 H HA -0.113 4.443 4.556 0.000 0.000 0.300 180 H C 3.049 178.351 175.328 -0.043 0.000 1.087 180 H CA 1.989 57.981 56.048 -0.094 0.000 1.319 180 H CB -0.967 28.759 29.762 -0.061 0.000 1.379 180 H HN 0.507 nan 8.280 nan 0.000 0.501 181 T N -0.619 114.009 114.554 0.122 0.000 2.897 181 T HA -0.090 4.260 4.350 0.000 0.000 0.271 181 T C 2.074 176.965 174.700 0.319 0.000 1.084 181 T CA 0.989 63.191 62.100 0.169 0.000 1.123 181 T CB -0.525 68.406 68.868 0.106 0.000 0.865 181 T HN 0.217 nan 8.240 nan 0.000 0.496 182 L N -0.042 121.270 121.223 0.149 0.000 2.509 182 L HA 0.415 4.755 4.340 0.000 0.000 0.222 182 L C 2.167 179.208 176.870 0.285 0.000 1.123 182 L CA 0.575 55.556 54.840 0.234 0.000 0.856 182 L CB -0.164 41.852 42.059 -0.072 0.000 0.985 182 L HN 0.620 nan 8.230 nan 0.000 0.456 183 G N -0.271 108.598 108.800 0.116 0.000 2.273 183 G HA2 -0.133 3.827 3.960 0.000 0.000 0.162 183 G HA3 -0.133 3.827 3.960 0.000 0.000 0.162 183 G C 0.031 174.927 174.900 -0.006 0.000 1.006 183 G CA -0.677 44.455 45.100 0.054 0.000 0.704 183 G HN 0.065 nan 8.290 nan 0.000 0.487 184 L N 1.861 123.065 121.223 -0.031 0.000 2.334 184 L HA 0.687 5.027 4.340 0.000 0.000 0.277 184 L C 0.547 177.445 176.870 0.046 0.000 1.075 184 L CA -0.506 54.314 54.840 -0.034 0.000 0.804 184 L CB 1.582 43.583 42.059 -0.096 0.000 1.174 184 L HN 0.118 nan 8.230 nan 0.000 0.438 185 S N -0.393 115.320 115.700 0.023 0.000 2.747 185 S HA 0.412 4.882 4.470 0.000 0.000 0.300 185 S C -0.381 174.235 174.600 0.027 0.000 1.121 185 S CA -0.702 57.502 58.200 0.007 0.000 0.995 185 S CB 0.959 64.121 63.200 -0.063 0.000 1.113 185 S HN 0.498 nan 8.310 nan 0.000 0.547 186 H N 0.891 119.965 119.070 0.007 0.000 2.771 186 H HA 0.079 4.635 4.556 0.000 0.000 0.364 186 H C -1.589 173.673 175.328 -0.109 0.000 1.133 186 H CA -1.593 54.381 56.048 -0.123 0.000 1.423 186 H CB 0.211 29.678 29.762 -0.490 0.000 1.425 186 H HN 0.358 nan 8.280 nan 0.000 0.606 187 P HA -0.042 nan 4.420 nan 0.000 0.225 187 P C 0.256 177.661 177.300 0.174 0.000 1.148 187 P CA 0.975 64.218 63.100 0.238 0.000 0.779 187 P CB 0.521 32.393 31.700 0.286 0.000 0.780 188 G N -1.472 107.293 108.800 -0.058 0.000 2.798 188 G HA2 0.320 4.280 3.960 0.000 0.000 0.286 188 G HA3 0.320 4.280 3.960 0.000 0.000 0.286 188 G C -1.609 172.994 174.900 -0.494 0.000 1.389 188 G CA -0.429 44.617 45.100 -0.089 0.000 0.894 188 G HN -0.283 nan 8.290 nan 0.000 0.488 189 D N 1.002 121.287 120.400 -0.190 0.000 2.411 189 D HA 0.458 5.099 4.640 0.000 0.000 0.225 189 D C -0.915 175.379 176.300 -0.009 0.000 1.156 189 D CA 0.597 54.501 54.000 -0.160 0.000 0.874 189 D CB 0.556 41.346 40.800 -0.017 0.000 1.034 189 D HN 0.433 nan 8.370 nan 0.000 0.502 190 Y N -0.832 119.517 120.300 0.082 0.000 2.662 190 Y HA 0.403 4.953 4.550 0.000 0.000 0.334 190 Y C -1.306 174.639 175.900 0.075 0.000 1.185 190 Y CA -1.306 56.839 58.100 0.076 0.000 1.074 190 Y CB 1.583 40.102 38.460 0.097 0.000 1.330 190 Y HN 0.106 nan 8.280 nan 0.000 0.458 191 N N 0.986 119.915 118.700 0.382 0.000 2.369 191 N HA 0.621 5.361 4.740 0.000 0.000 0.287 191 N C -1.305 174.480 175.510 0.458 0.000 1.067 191 N CA -0.556 52.738 53.050 0.406 0.000 0.888 191 N CB 2.145 40.774 38.487 0.237 0.000 1.616 191 N HN 1.157 nan 8.380 nan 0.000 0.482 192 A N 1.616 124.753 122.820 0.529 0.000 2.546 192 A HA 0.406 4.726 4.320 0.000 0.000 0.243 192 A C 1.440 179.130 177.584 0.176 0.000 1.063 192 A CA 1.251 53.453 52.037 0.275 0.000 0.757 192 A CB -0.625 18.431 19.000 0.095 0.000 0.991 192 A HN 1.258 nan 8.150 nan 0.000 0.503 193 G N 1.294 110.173 108.800 0.132 0.000 2.234 193 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 193 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 193 G C 0.262 175.225 174.900 0.105 0.000 0.987 193 G CA 0.706 45.864 45.100 0.096 0.000 0.625 193 G HN 1.133 nan 8.290 nan 0.000 0.532 194 E N 0.731 121.014 120.200 0.138 0.000 1.993 194 E HA 0.491 4.842 4.350 0.000 0.000 0.271 194 E C 1.179 177.857 176.600 0.130 0.000 1.008 194 E CA 0.551 57.025 56.400 0.122 0.000 0.814 194 E CB -0.344 29.434 29.700 0.129 0.000 1.098 194 E HN 1.575 nan 8.360 nan 0.000 0.407 195 G N 4.252 113.112 108.800 0.101 0.000 2.553 195 G HA2 -0.239 3.721 3.960 0.000 0.000 0.242 195 G HA3 -0.239 3.721 3.960 0.000 0.000 0.242 195 G C -0.460 174.504 174.900 0.107 0.000 1.277 195 G CA -0.063 45.094 45.100 0.095 0.000 0.910 195 G HN 0.637 nan 8.290 nan 0.000 0.576 196 D N 1.967 122.432 120.400 0.108 0.000 2.656 196 D HA 0.330 4.970 4.640 0.000 0.000 0.303 196 D C -2.075 174.306 176.300 0.135 0.000 1.199 196 D CA -0.443 53.625 54.000 0.112 0.000 0.797 196 D CB 1.139 41.982 40.800 0.073 0.000 1.170 196 D HN 0.439 nan 8.370 nan 0.000 0.509 197 P HA 0.038 nan 4.420 nan 0.000 0.267 197 P C 0.054 177.479 177.300 0.208 0.000 1.200 197 P CA 0.167 63.419 63.100 0.254 0.000 0.772 197 P CB 1.213 33.165 31.700 0.421 0.000 0.855 198 T N -1.503 112.967 114.554 -0.140 0.000 2.838 198 T HA 0.176 4.526 4.350 0.000 0.000 0.292 198 T C 0.654 174.538 174.700 -1.360 0.000 1.113 198 T CA -0.603 61.134 62.100 -0.605 0.000 1.008 198 T CB 0.702 69.403 68.868 -0.278 0.000 1.259 198 T HN 0.322 nan 8.240 nan 0.000 0.520 199 Y N 1.280 120.576 120.300 -1.673 0.000 2.315 199 Y HA 0.072 4.622 4.550 0.000 0.000 0.288 199 Y C 2.515 178.055 175.900 -0.601 0.000 1.154 199 Y CA 1.785 58.946 58.100 -1.565 0.000 1.229 199 Y CB -0.899 37.074 38.460 -0.812 0.000 0.980 199 Y HN 0.812 nan 8.280 nan 0.000 0.540 200 A N -0.337 122.229 122.820 -0.423 0.000 2.070 200 A HA -0.147 4.173 4.320 0.000 0.000 0.220 200 A C 1.684 179.207 177.584 -0.103 0.000 1.159 200 A CA 1.702 53.603 52.037 -0.226 0.000 0.656 200 A CB -0.522 18.380 19.000 -0.164 0.000 0.800 200 A HN 0.530 nan 8.150 nan 0.000 0.453 201 D N 0.179 120.456 120.400 -0.205 0.000 2.340 201 D HA 0.251 4.891 4.640 0.000 0.000 0.220 201 D C 0.913 177.201 176.300 -0.019 0.000 1.039 201 D CA 0.712 54.686 54.000 -0.044 0.000 0.866 201 D CB -0.130 40.699 40.800 0.050 0.000 0.913 201 D HN 0.449 nan 8.370 nan 0.000 0.523 202 A N 0.337 122.990 122.820 -0.278 0.000 2.425 202 A HA 0.184 4.504 4.320 0.000 0.000 0.242 202 A C 1.492 178.821 177.584 -0.425 0.000 1.077 202 A CA 0.078 51.906 52.037 -0.348 0.000 0.781 202 A CB 0.555 19.071 19.000 -0.807 0.000 1.020 202 A HN 0.016 nan 8.150 nan 0.000 0.494 203 T N 0.209 114.633 114.554 -0.216 0.000 2.937 203 T HA 0.154 4.504 4.350 0.000 0.000 0.260 203 T C 0.055 174.622 174.700 -0.222 0.000 1.051 203 T CA 1.996 64.038 62.100 -0.097 0.000 1.141 203 T CB -0.355 68.574 68.868 0.103 0.000 0.879 203 T HN 0.736 nan 8.240 nan 0.000 0.459 204 Y N -2.200 117.759 120.300 -0.568 0.000 2.581 204 Y HA 0.814 5.364 4.550 0.000 0.000 0.345 204 Y C 0.892 176.541 175.900 -0.417 0.000 1.036 204 Y CA -1.775 55.933 58.100 -0.655 0.000 1.042 204 Y CB 0.766 38.462 38.460 -1.274 0.000 1.289 204 Y HN -0.136 nan 8.280 nan 0.000 0.471 205 A N 0.759 123.518 122.820 -0.101 0.000 1.940 205 A HA -0.141 4.179 4.320 0.000 0.000 0.219 205 A C 1.262 178.923 177.584 0.129 0.000 1.176 205 A CA 1.978 54.072 52.037 0.095 0.000 0.631 205 A CB -0.746 18.388 19.000 0.223 0.000 0.814 205 A HN 0.840 nan 8.150 nan 0.000 0.446 206 E N 0.603 120.848 120.200 0.075 0.000 2.438 206 E HA 0.027 4.377 4.350 0.000 0.000 0.192 206 E C -0.119 176.493 176.600 0.020 0.000 1.110 206 E CA 0.216 56.685 56.400 0.115 0.000 0.893 206 E CB -0.221 29.474 29.700 -0.008 0.000 0.990 206 E HN 0.491 nan 8.360 nan 0.000 0.490 207 D N 1.429 121.617 120.400 -0.354 0.000 2.551 207 D HA 0.015 4.655 4.640 0.000 0.000 0.223 207 D C -0.618 175.860 176.300 0.297 0.000 1.144 207 D CA -0.068 53.800 54.000 -0.219 0.000 1.025 207 D CB -0.323 40.232 40.800 -0.408 0.000 1.085 207 D HN 0.074 nan 8.370 nan 0.000 0.506 208 T N -1.250 113.488 114.554 0.307 0.000 2.864 208 T HA 0.388 4.738 4.350 0.000 0.000 0.299 208 T C 0.779 175.612 174.700 0.223 0.000 1.166 208 T CA -1.158 61.108 62.100 0.277 0.000 1.007 208 T CB 1.091 70.065 68.868 0.177 0.000 1.219 208 T HN 0.283 nan 8.240 nan 0.000 0.506 209 R N 0.603 121.202 120.500 0.165 0.000 2.391 209 R HA 0.498 4.838 4.340 0.000 0.000 0.225 209 R C 1.264 177.674 176.300 0.183 0.000 1.079 209 R CA 0.301 56.515 56.100 0.190 0.000 1.147 209 R CB -0.643 29.799 30.300 0.237 0.000 1.103 209 R HN 0.585 nan 8.270 nan 0.000 0.499 210 A N -0.051 122.793 122.820 0.039 0.000 2.169 210 A HA 0.131 4.451 4.320 0.000 0.000 0.210 210 A C 0.706 178.118 177.584 -0.287 0.000 1.168 210 A CA 0.165 52.146 52.037 -0.094 0.000 0.813 210 A CB -0.023 18.708 19.000 -0.448 0.000 0.861 210 A HN 0.414 nan 8.150 nan 0.000 0.481 211 Y N -1.409 118.989 120.300 0.164 0.000 2.452 211 Y HA 0.387 4.937 4.550 0.000 0.000 0.262 211 Y C 0.820 176.819 175.900 0.164 0.000 1.089 211 Y CA 0.097 58.292 58.100 0.159 0.000 1.262 211 Y CB 0.656 39.226 38.460 0.183 0.000 1.236 211 Y HN 0.180 nan 8.280 nan 0.000 0.512 212 S N -0.096 115.785 115.700 0.302 0.000 2.603 212 S HA 0.354 4.824 4.470 0.000 0.000 0.274 212 S C 0.448 175.174 174.600 0.212 0.000 1.168 212 S CA -0.439 57.908 58.200 0.245 0.000 0.963 212 S CB 1.074 64.438 63.200 0.272 0.000 1.078 212 S HN 0.113 nan 8.310 nan 0.000 0.477 213 V N 3.574 123.593 119.914 0.176 0.000 3.305 213 V HA 0.062 4.182 4.120 0.000 0.000 0.269 213 V C 1.595 177.842 176.094 0.256 0.000 1.157 213 V CA 0.840 63.257 62.300 0.195 0.000 1.157 213 V CB -0.752 31.151 31.823 0.132 0.000 0.772 213 V HN 0.813 nan 8.190 nan 0.000 0.498 214 M N 0.695 120.392 119.600 0.162 0.000 2.558 214 M HA 0.219 4.699 4.480 0.000 0.000 0.255 214 M C 1.267 177.717 176.300 0.251 0.000 1.113 214 M CA 0.569 55.886 55.300 0.028 0.000 1.097 214 M CB -0.735 31.855 32.600 -0.017 0.000 1.426 214 M HN 0.518 nan 8.290 nan 0.000 0.488 215 S N -0.311 115.533 115.700 0.240 0.000 2.576 215 S HA 0.100 4.570 4.470 0.000 0.000 0.276 215 S C 0.584 175.239 174.600 0.092 0.000 1.339 215 S CA -0.286 58.013 58.200 0.165 0.000 1.039 215 S CB 0.794 64.096 63.200 0.170 0.000 0.902 215 S HN 0.279 nan 8.310 nan 0.000 0.516 216 Y N 1.741 121.639 120.300 -0.669 0.000 2.510 216 Y HA 0.309 4.859 4.550 0.000 0.000 0.273 216 Y C 0.168 175.492 175.900 -0.960 0.000 1.119 216 Y CA -1.246 56.214 58.100 -1.067 0.000 1.286 216 Y CB -0.084 37.160 38.460 -2.027 0.000 1.061 216 Y HN 0.612 nan 8.280 nan 0.000 0.542 217 W N 1.395 122.797 121.300 0.170 0.000 2.438 217 W HA 0.459 5.119 4.660 0.000 0.000 0.324 217 W C 0.210 176.741 176.519 0.020 0.000 1.119 217 W CA -1.196 56.194 57.345 0.075 0.000 1.221 217 W CB 0.597 30.127 29.460 0.116 0.000 1.253 217 W HN -0.194 nan 8.180 nan 0.000 0.555 218 E N 2.141 122.455 120.200 0.190 0.000 2.437 218 E HA -0.143 4.207 4.350 0.000 0.000 0.263 218 E C 1.585 178.130 176.600 -0.091 0.000 1.030 218 E CA 0.131 56.544 56.400 0.022 0.000 0.934 218 E CB 0.510 30.194 29.700 -0.027 0.000 0.943 218 E HN 0.493 nan 8.360 nan 0.000 0.444 219 E N 2.810 122.876 120.200 -0.223 0.000 2.204 219 E HA -0.293 4.057 4.350 0.000 0.000 0.195 219 E C 0.942 177.351 176.600 -0.318 0.000 0.990 219 E CA 1.204 57.383 56.400 -0.368 0.000 0.821 219 E CB -0.112 29.052 29.700 -0.894 0.000 0.750 219 E HN 0.517 nan 8.360 nan 0.000 0.477 220 Q N 0.816 120.448 119.800 -0.279 0.000 2.291 220 Q HA -0.031 4.309 4.340 0.000 0.000 0.206 220 Q C 1.794 177.688 176.000 -0.177 0.000 0.976 220 Q CA 1.151 56.831 55.803 -0.205 0.000 0.875 220 Q CB -0.184 28.454 28.738 -0.167 0.000 0.927 220 Q HN 0.354 nan 8.270 nan 0.000 0.450 221 N N -0.266 118.288 118.700 -0.243 0.000 2.364 221 N HA -0.087 4.653 4.740 0.000 0.000 0.183 221 N C 0.809 176.194 175.510 -0.207 0.000 1.022 221 N CA 1.680 54.506 53.050 -0.373 0.000 0.883 221 N CB 0.091 38.051 38.487 -0.879 0.000 0.965 221 N HN 0.410 nan 8.380 nan 0.000 0.438 222 T N -3.796 110.705 114.554 -0.088 0.000 3.228 222 T HA 0.462 4.812 4.350 0.000 0.000 0.278 222 T C 1.120 175.887 174.700 0.112 0.000 1.014 222 T CA 0.170 62.315 62.100 0.075 0.000 0.904 222 T CB 0.750 69.750 68.868 0.221 0.000 1.110 222 T HN 0.207 nan 8.240 nan 0.000 0.541 223 G N 0.981 109.804 108.800 0.038 0.000 2.175 223 G HA2 -0.243 3.717 3.960 0.000 0.000 0.244 223 G HA3 -0.243 3.717 3.960 0.000 0.000 0.244 223 G C -0.090 174.875 174.900 0.107 0.000 0.982 223 G CA -0.130 45.032 45.100 0.103 0.000 0.641 223 G HN 0.624 nan 8.290 nan 0.000 0.527 224 Q N 0.153 119.909 119.800 -0.073 0.000 2.199 224 Q HA 0.695 5.035 4.340 0.000 0.000 0.232 224 Q C -0.500 175.287 176.000 -0.355 0.000 0.969 224 Q CA -0.251 55.422 55.803 -0.216 0.000 0.925 224 Q CB 1.386 29.874 28.738 -0.416 0.000 1.198 224 Q HN 0.191 nan 8.270 nan 0.000 0.494 225 D N -0.096 120.082 120.400 -0.369 0.000 2.591 225 D HA 0.187 4.827 4.640 0.000 0.000 0.222 225 D C -1.289 174.943 176.300 -0.113 0.000 1.360 225 D CA -0.305 53.496 54.000 -0.332 0.000 0.967 225 D CB 0.521 41.237 40.800 -0.140 0.000 1.456 225 D HN 0.358 nan 8.370 nan 0.000 0.588 226 F N 2.470 122.322 119.950 -0.164 0.000 2.639 226 F HA 0.306 4.834 4.527 0.000 0.000 0.300 226 F C 1.250 176.943 175.800 -0.178 0.000 1.109 226 F CA -0.646 57.245 58.000 -0.182 0.000 1.335 226 F CB -0.355 38.520 39.000 -0.208 0.000 1.014 226 F HN 0.356 nan 8.300 nan 0.000 0.537 227 K N 0.480 120.866 120.400 -0.023 0.000 3.156 227 K HA -0.231 4.089 4.320 0.000 0.000 0.266 227 K C 1.284 177.839 176.600 -0.075 0.000 0.966 227 K CA 0.516 56.771 56.287 -0.054 0.000 0.719 227 K CB -1.726 30.752 32.500 -0.037 0.000 1.333 227 K HN 0.689 nan 8.250 nan 0.000 0.468 228 G N -1.741 106.972 108.800 -0.144 0.000 2.199 228 G HA2 -0.311 3.649 3.960 0.000 0.000 0.254 228 G HA3 -0.311 3.649 3.960 0.000 0.000 0.254 228 G C 0.260 174.960 174.900 -0.333 0.000 0.982 228 G CA 0.338 45.317 45.100 -0.202 0.000 0.632 228 G HN 0.894 nan 8.290 nan 0.000 0.529 229 A N -0.651 122.022 122.820 -0.246 0.000 2.271 229 A HA 0.818 5.138 4.320 0.000 0.000 0.288 229 A C -0.485 176.863 177.584 -0.394 0.000 1.094 229 A CA -0.230 51.698 52.037 -0.183 0.000 0.828 229 A CB 0.635 19.608 19.000 -0.043 0.000 1.091 229 A HN 0.811 nan 8.150 nan 0.000 0.493 230 Y N -0.255 120.126 120.300 0.135 0.000 2.442 230 Y HA 0.433 4.983 4.550 0.000 0.000 0.344 230 Y C 0.711 176.641 175.900 0.050 0.000 0.976 230 Y CA -0.395 57.796 58.100 0.153 0.000 1.040 230 Y CB 2.117 40.688 38.460 0.184 0.000 1.228 230 Y HN 0.634 nan 8.280 nan 0.000 0.451 231 S N 1.111 116.899 115.700 0.147 0.000 2.515 231 S HA 0.016 4.486 4.470 0.000 0.000 0.285 231 S C 0.826 175.403 174.600 -0.037 0.000 1.265 231 S CA 0.013 58.204 58.200 -0.015 0.000 1.079 231 S CB 0.327 63.498 63.200 -0.048 0.000 0.877 231 S HN 0.790 nan 8.310 nan 0.000 0.493 232 S N 3.717 119.347 115.700 -0.118 0.000 2.470 232 S HA 0.299 4.769 4.470 0.000 0.000 0.225 232 S C 0.697 175.037 174.600 -0.434 0.000 1.006 232 S CA 0.389 58.483 58.200 -0.177 0.000 0.934 232 S CB 0.055 63.207 63.200 -0.080 0.000 0.778 232 S HN 0.884 nan 8.310 nan 0.000 0.517 233 A N 1.503 123.907 122.820 -0.692 0.000 2.387 233 A HA 0.747 5.067 4.320 0.000 0.000 0.303 233 A C -2.983 174.214 177.584 -0.645 0.000 1.145 233 A CA -2.204 49.262 52.037 -0.952 0.000 0.801 233 A CB 0.279 18.153 19.000 -1.876 0.000 1.342 233 A HN -0.009 nan 8.150 nan 0.000 0.440 234 P HA 0.191 nan 4.420 nan 0.000 0.264 234 P C -0.578 176.579 177.300 -0.238 0.000 1.183 234 P CA 0.526 63.272 63.100 -0.590 0.000 0.763 234 P CB 0.278 31.476 31.700 -0.836 0.000 0.807 235 L N 2.741 123.916 121.223 -0.079 0.000 2.544 235 L HA 0.258 4.598 4.340 0.000 0.000 0.256 235 L C 1.932 178.871 176.870 0.115 0.000 1.097 235 L CA -0.865 53.997 54.840 0.037 0.000 0.812 235 L CB -0.075 42.032 42.059 0.080 0.000 1.440 235 L HN 0.264 nan 8.230 nan 0.000 0.496 236 L N 0.679 122.009 121.223 0.178 0.000 1.991 236 L HA -0.279 4.061 4.340 0.000 0.000 0.221 236 L C 1.807 178.798 176.870 0.201 0.000 1.079 236 L CA 2.183 57.153 54.840 0.216 0.000 0.778 236 L CB -0.632 41.602 42.059 0.291 0.000 0.893 236 L HN 0.621 nan 8.230 nan 0.000 0.437 237 D N -0.750 119.792 120.400 0.237 0.000 2.224 237 D HA -0.123 4.517 4.640 0.000 0.000 0.205 237 D C 1.843 178.252 176.300 0.181 0.000 0.965 237 D CA 1.055 55.178 54.000 0.204 0.000 0.852 237 D CB -0.253 40.701 40.800 0.257 0.000 0.947 237 D HN 0.466 nan 8.370 nan 0.000 0.494 238 D N 0.388 120.903 120.400 0.191 0.000 2.117 238 D HA -0.076 4.564 4.640 0.000 0.000 0.198 238 D C 2.304 178.732 176.300 0.214 0.000 0.982 238 D CA 0.474 54.612 54.000 0.230 0.000 0.828 238 D CB -0.077 40.845 40.800 0.203 0.000 0.967 238 D HN 0.265 nan 8.370 nan 0.000 0.464 239 I N 1.491 122.136 120.570 0.124 0.000 2.179 239 I HA -0.268 3.902 4.170 0.000 0.000 0.242 239 I C 2.598 178.729 176.117 0.024 0.000 1.088 239 I CA 1.141 62.473 61.300 0.054 0.000 1.357 239 I CB -0.270 37.754 38.000 0.040 0.000 1.051 239 I HN -0.084 nan 8.210 nan 0.000 0.409 240 A N 0.682 123.537 122.820 0.058 0.000 1.902 240 A HA -0.171 4.149 4.320 0.000 0.000 0.217 240 A C 2.522 180.119 177.584 0.021 0.000 1.181 240 A CA 1.959 54.017 52.037 0.035 0.000 0.623 240 A CB -0.821 18.214 19.000 0.059 0.000 0.818 240 A HN 0.453 nan 8.150 nan 0.000 0.443 241 A N -0.385 122.468 122.820 0.055 0.000 1.855 241 A HA -0.058 4.262 4.320 0.000 0.000 0.215 241 A C 2.098 179.680 177.584 -0.003 0.000 1.191 241 A CA 1.649 53.705 52.037 0.032 0.000 0.613 241 A CB -0.636 18.407 19.000 0.070 0.000 0.829 241 A HN 0.561 nan 8.150 nan 0.000 0.442 242 I N 0.024 120.629 120.570 0.059 0.000 2.361 242 I HA -0.245 3.925 4.170 0.000 0.000 0.251 242 I C 2.367 178.464 176.117 -0.032 0.000 1.133 242 I CA 1.553 62.877 61.300 0.039 0.000 1.413 242 I CB -0.268 37.869 38.000 0.228 0.000 1.073 242 I HN 0.421 nan 8.210 nan 0.000 0.424 243 Q N -0.295 119.476 119.800 -0.048 0.000 2.297 243 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 243 Q C 2.021 177.965 176.000 -0.094 0.000 0.962 243 Q CA 0.930 56.678 55.803 -0.092 0.000 0.879 243 Q CB -0.042 28.603 28.738 -0.155 0.000 0.947 243 Q HN 0.487 nan 8.270 nan 0.000 0.462 244 K N 0.134 120.473 120.400 -0.101 0.000 2.217 244 K HA -0.040 4.281 4.320 0.000 0.000 0.202 244 K C 1.804 178.295 176.600 -0.182 0.000 1.051 244 K CA 0.640 56.861 56.287 -0.109 0.000 0.952 244 K CB 0.216 32.662 32.500 -0.090 0.000 0.736 244 K HN 0.197 nan 8.250 nan 0.000 0.453 245 L N -1.004 120.031 121.223 -0.313 0.000 2.130 245 L HA -0.057 4.283 4.340 0.000 0.000 0.200 245 L C 1.050 177.521 176.870 -0.664 0.000 1.075 245 L CA 1.002 55.468 54.840 -0.622 0.000 0.768 245 L CB 0.048 41.460 42.059 -1.078 0.000 0.933 245 L HN 0.149 nan 8.230 nan 0.000 0.451 246 Y N -0.275 120.003 120.300 -0.037 0.000 2.612 246 Y HA 0.514 5.064 4.550 0.000 0.000 0.250 246 Y C 1.001 176.865 175.900 -0.060 0.000 1.175 246 Y CA -0.305 57.763 58.100 -0.053 0.000 1.205 246 Y CB -0.055 38.359 38.460 -0.077 0.000 1.201 246 Y HN 0.169 nan 8.280 nan 0.000 0.532 247 G N 1.017 109.823 108.800 0.010 0.000 2.814 247 G HA2 0.087 4.047 3.960 0.000 0.000 0.677 247 G HA3 0.087 4.047 3.960 0.000 0.000 0.677 247 G C -0.316 174.562 174.900 -0.036 0.000 1.429 247 G CA -0.744 44.354 45.100 -0.003 0.000 0.868 247 G HN 0.649 nan 8.290 nan 0.000 0.553 248 A N 0.416 123.219 122.820 -0.029 0.000 2.363 248 A HA 0.618 4.938 4.320 0.000 0.000 0.270 248 A C 0.642 178.270 177.584 0.073 0.000 1.121 248 A CA 0.055 52.043 52.037 -0.081 0.000 0.800 248 A CB 0.640 19.681 19.000 0.068 0.000 1.052 248 A HN 1.183 nan 8.150 nan 0.000 0.493 249 N N 2.841 121.587 118.700 0.077 0.000 2.448 249 N HA 0.143 4.883 4.740 0.000 0.000 0.250 249 N C 0.353 176.139 175.510 0.460 0.000 1.136 249 N CA -0.065 53.126 53.050 0.235 0.000 0.953 249 N CB 0.234 38.849 38.487 0.213 0.000 1.251 249 N HN 0.631 nan 8.380 nan 0.000 0.502 250 L N 2.041 123.446 121.223 0.302 0.000 2.599 250 L HA 0.011 4.351 4.340 0.000 0.000 0.230 250 L C 1.802 178.774 176.870 0.169 0.000 1.141 250 L CA 0.547 55.536 54.840 0.249 0.000 0.877 250 L CB -0.335 41.827 42.059 0.171 0.000 1.009 250 L HN 0.532 nan 8.230 nan 0.000 0.447 251 T N -5.625 109.038 114.554 0.182 0.000 3.040 251 T HA 0.043 4.393 4.350 0.000 0.000 0.250 251 T C 0.876 175.658 174.700 0.136 0.000 1.058 251 T CA -0.148 62.032 62.100 0.134 0.000 0.988 251 T CB -0.146 68.800 68.868 0.129 0.000 0.993 251 T HN 0.010 nan 8.240 nan 0.000 0.519 252 T N 3.648 118.321 114.554 0.199 0.000 2.761 252 T HA 0.375 4.725 4.350 0.000 0.000 0.296 252 T C 0.128 174.868 174.700 0.066 0.000 0.934 252 T CA -0.492 61.722 62.100 0.189 0.000 1.091 252 T CB 0.340 69.435 68.868 0.377 0.000 0.896 252 T HN 0.396 nan 8.240 nan 0.000 0.515 253 R N 1.167 121.693 120.500 0.044 0.000 3.251 253 R HA -0.176 4.164 4.340 0.000 0.000 0.249 253 R C 1.272 177.544 176.300 -0.047 0.000 0.949 253 R CA 0.764 56.853 56.100 -0.018 0.000 0.645 253 R CB -2.156 28.128 30.300 -0.027 0.000 1.065 253 R HN 0.920 nan 8.270 nan 0.000 0.452 254 T N -3.437 111.100 114.554 -0.028 0.000 3.160 254 T HA 0.102 4.452 4.350 0.000 0.000 0.257 254 T C 1.231 175.909 174.700 -0.037 0.000 1.147 254 T CA 0.365 62.444 62.100 -0.034 0.000 1.064 254 T CB 0.472 69.334 68.868 -0.010 0.000 0.949 254 T HN 0.477 nan 8.240 nan 0.000 0.526 255 G N 0.609 109.383 108.800 -0.043 0.000 2.535 255 G HA2 0.408 4.368 3.960 0.000 0.000 0.282 255 G HA3 0.408 4.368 3.960 0.000 0.000 0.282 255 G C -0.920 173.946 174.900 -0.057 0.000 1.350 255 G CA -0.764 44.307 45.100 -0.048 0.000 1.039 255 G HN 0.267 nan 8.290 nan 0.000 0.509 256 D N 1.041 121.406 120.400 -0.058 0.000 2.402 256 D HA 0.270 4.910 4.640 0.000 0.000 0.235 256 D C 0.183 176.427 176.300 -0.094 0.000 1.226 256 D CA 0.408 54.372 54.000 -0.059 0.000 0.918 256 D CB 0.503 41.274 40.800 -0.049 0.000 1.043 256 D HN 0.088 nan 8.370 nan 0.000 0.506 257 T N 0.785 115.276 114.554 -0.105 0.000 2.845 257 T HA 0.396 4.746 4.350 0.000 0.000 0.288 257 T C 0.451 175.007 174.700 -0.240 0.000 0.980 257 T CA -0.660 61.307 62.100 -0.222 0.000 1.071 257 T CB 1.783 70.489 68.868 -0.271 0.000 0.941 257 T HN -0.047 nan 8.240 nan 0.000 0.487 258 V N 3.605 123.293 119.914 -0.376 0.000 2.417 258 V HA 0.435 4.555 4.120 0.000 0.000 0.291 258 V C -1.149 174.645 176.094 -0.500 0.000 1.024 258 V CA -0.905 61.224 62.300 -0.285 0.000 0.861 258 V CB 0.765 32.475 31.823 -0.188 0.000 0.985 258 V HN 0.790 nan 8.190 nan 0.000 0.436 259 Y N 2.630 122.790 120.300 -0.233 0.000 2.409 259 Y HA 0.816 5.366 4.550 0.000 0.000 0.339 259 Y C 0.935 176.766 175.900 -0.115 0.000 1.033 259 Y CA 0.668 58.609 58.100 -0.266 0.000 1.094 259 Y CB 1.977 40.235 38.460 -0.336 0.000 1.210 259 Y HN 0.949 nan 8.280 nan 0.000 0.456 260 G N 1.459 110.335 108.800 0.127 0.000 2.662 260 G HA2 -0.229 3.732 3.960 0.000 0.000 0.236 260 G HA3 -0.229 3.732 3.960 0.000 0.000 0.236 260 G C -0.804 174.061 174.900 -0.058 0.000 1.212 260 G CA -0.846 44.391 45.100 0.229 0.000 0.968 260 G HN 0.405 nan 8.290 nan 0.000 0.576 261 F N 2.768 122.730 119.950 0.020 0.000 2.410 261 F HA 0.445 4.972 4.527 0.000 0.000 0.334 261 F C 1.600 177.349 175.800 -0.086 0.000 1.134 261 F CA 0.807 58.770 58.000 -0.061 0.000 1.227 261 F CB 0.585 39.517 39.000 -0.112 0.000 1.194 261 F HN 0.541 nan 8.300 nan 0.000 0.571 262 N N 0.095 118.847 118.700 0.086 0.000 2.725 262 N HA -0.227 4.513 4.740 0.000 0.000 0.249 262 N C -0.184 175.282 175.510 -0.073 0.000 1.103 262 N CA 0.714 53.764 53.050 -0.001 0.000 0.707 262 N CB -1.366 37.120 38.487 -0.001 0.000 1.043 262 N HN 0.454 nan 8.380 nan 0.000 0.553 263 S N 0.835 116.469 115.700 -0.110 0.000 2.572 263 S HA 0.238 4.708 4.470 0.000 0.000 0.279 263 S C 1.174 175.655 174.600 -0.198 0.000 1.341 263 S CA -0.150 57.932 58.200 -0.196 0.000 1.043 263 S CB 0.495 63.559 63.200 -0.227 0.000 0.887 263 S HN 0.447 nan 8.310 nan 0.000 0.516 264 N N 1.531 120.078 118.700 -0.256 0.000 2.282 264 N HA 0.040 4.780 4.740 0.000 0.000 0.240 264 N C 0.863 176.227 175.510 -0.245 0.000 1.182 264 N CA 0.246 53.170 53.050 -0.210 0.000 0.874 264 N CB -0.237 38.143 38.487 -0.177 0.000 1.126 264 N HN 0.584 nan 8.380 nan 0.000 0.516 265 T N -2.483 111.879 114.554 -0.320 0.000 3.023 265 T HA 0.028 4.378 4.350 0.000 0.000 0.266 265 T C 0.431 175.020 174.700 -0.185 0.000 1.093 265 T CA 0.400 62.317 62.100 -0.305 0.000 1.129 265 T CB -0.464 68.166 68.868 -0.397 0.000 0.899 265 T HN 0.323 nan 8.240 nan 0.000 0.491 266 E N 0.538 120.633 120.200 -0.174 0.000 2.476 266 E HA -0.146 4.204 4.350 0.000 0.000 0.251 266 E C -0.820 175.684 176.600 -0.159 0.000 1.130 266 E CA 0.053 56.372 56.400 -0.134 0.000 0.736 266 E CB -0.550 29.096 29.700 -0.091 0.000 1.298 266 E HN 0.419 nan 8.360 nan 0.000 0.400 267 R N 0.523 120.872 120.500 -0.252 0.000 2.483 267 R HA 0.069 4.409 4.340 0.000 0.000 0.303 267 R C 0.624 176.626 176.300 -0.496 0.000 0.987 267 R CA -0.238 55.588 56.100 -0.457 0.000 0.881 267 R CB 1.269 31.111 30.300 -0.764 0.000 1.177 267 R HN 0.104 nan 8.270 nan 0.000 0.451 268 D N 3.023 123.225 120.400 -0.330 0.000 2.133 268 D HA -0.240 4.400 4.640 0.000 0.000 0.195 268 D C 1.416 177.616 176.300 -0.166 0.000 0.997 268 D CA 1.594 55.486 54.000 -0.180 0.000 0.840 268 D CB -0.424 40.346 40.800 -0.051 0.000 0.947 268 D HN 0.573 nan 8.370 nan 0.000 0.452 269 F N -1.323 118.569 119.950 -0.096 0.000 2.546 269 F HA 0.091 4.618 4.527 0.000 0.000 0.298 269 F C 1.397 177.157 175.800 -0.067 0.000 1.120 269 F CA 0.029 57.970 58.000 -0.099 0.000 1.456 269 F CB -0.801 38.086 39.000 -0.188 0.000 1.088 269 F HN -0.170 nan 8.300 nan 0.000 0.572 270 Y N 0.756 120.771 120.300 -0.474 0.000 2.458 270 Y HA 0.345 4.895 4.550 0.000 0.000 0.256 270 Y C 0.451 176.157 175.900 -0.323 0.000 1.159 270 Y CA -1.144 56.631 58.100 -0.542 0.000 1.261 270 Y CB -0.243 37.858 38.460 -0.597 0.000 1.119 270 Y HN -0.047 nan 8.280 nan 0.000 0.524 271 S N 0.348 116.004 115.700 -0.073 0.000 2.472 271 S HA 0.781 5.251 4.470 0.000 0.000 0.303 271 S C -0.235 174.305 174.600 -0.100 0.000 1.099 271 S CA -0.828 57.314 58.200 -0.097 0.000 1.077 271 S CB 1.672 64.788 63.200 -0.140 0.000 1.031 271 S HN 0.178 nan 8.310 nan 0.000 0.487 272 A N 1.564 124.223 122.820 -0.269 0.000 2.317 272 A HA 0.666 4.986 4.320 0.000 0.000 0.327 272 A C 0.901 178.172 177.584 -0.522 0.000 1.178 272 A CA -0.623 51.086 52.037 -0.546 0.000 0.817 272 A CB 0.509 18.716 19.000 -1.321 0.000 1.189 272 A HN 0.868 nan 8.150 nan 0.000 0.489 273 T N -1.856 112.538 114.554 -0.267 0.000 3.003 273 T HA 0.409 4.759 4.350 0.000 0.000 0.261 273 T C 0.547 175.295 174.700 0.079 0.000 1.003 273 T CA 0.640 62.699 62.100 -0.068 0.000 0.917 273 T CB -0.482 68.367 68.868 -0.032 0.000 1.084 273 T HN 1.621 nan 8.240 nan 0.000 0.522 274 S N 0.442 116.223 115.700 0.135 0.000 2.643 274 S HA 0.468 4.939 4.470 0.000 0.000 0.270 274 S C 0.841 175.653 174.600 0.354 0.000 1.166 274 S CA 0.051 58.395 58.200 0.240 0.000 0.815 274 S CB 1.085 64.366 63.200 0.136 0.000 1.139 274 S HN 0.310 nan 8.310 nan 0.000 0.472 275 S N 0.491 116.355 115.700 0.273 0.000 2.547 275 S HA -0.027 4.443 4.470 0.000 0.000 0.235 275 S C 1.399 176.253 174.600 0.424 0.000 0.980 275 S CA 1.024 59.419 58.200 0.325 0.000 0.941 275 S CB -0.865 62.440 63.200 0.175 0.000 0.763 275 S HN 1.423 nan 8.310 nan 0.000 0.532 276 S N -0.044 115.836 115.700 0.301 0.000 2.540 276 S HA 0.304 4.774 4.470 0.000 0.000 0.218 276 S C 0.361 175.097 174.600 0.228 0.000 0.977 276 S CA -0.551 57.785 58.200 0.227 0.000 0.918 276 S CB -0.191 63.086 63.200 0.129 0.000 0.806 276 S HN 0.253 nan 8.310 nan 0.000 0.496 277 S N 2.897 118.786 115.700 0.315 0.000 2.544 277 S HA 0.145 4.615 4.470 0.000 0.000 0.290 277 S C -0.025 174.701 174.600 0.211 0.000 1.276 277 S CA 0.031 58.366 58.200 0.225 0.000 1.075 277 S CB 0.242 63.524 63.200 0.137 0.000 0.849 277 S HN 0.417 nan 8.310 nan 0.000 0.494 278 K N 3.582 124.034 120.400 0.086 0.000 2.268 278 K HA 0.308 4.628 4.320 0.000 0.000 0.276 278 K C -0.670 175.932 176.600 0.003 0.000 1.080 278 K CA -0.159 56.129 56.287 0.001 0.000 0.910 278 K CB 0.503 32.994 32.500 -0.014 0.000 1.163 278 K HN 0.482 nan 8.250 nan 0.000 0.465 279 L N 3.333 124.540 121.223 -0.028 0.000 2.312 279 L HA 0.426 4.766 4.340 0.000 0.000 0.281 279 L C -0.363 176.370 176.870 -0.229 0.000 1.070 279 L CA -0.959 53.883 54.840 0.004 0.000 0.805 279 L CB 1.345 43.468 42.059 0.105 0.000 1.174 279 L HN 0.239 nan 8.230 nan 0.000 0.434 280 V N 4.674 124.491 119.914 -0.161 0.000 2.509 280 V HA 0.498 4.618 4.120 0.000 0.000 0.289 280 V C -0.844 175.199 176.094 -0.084 0.000 1.026 280 V CA -0.512 61.541 62.300 -0.412 0.000 0.872 280 V CB 1.123 32.619 31.823 -0.544 0.000 1.017 280 V HN 0.622 nan 8.190 nan 0.000 0.436 281 F N 1.684 121.577 119.950 -0.095 0.000 2.719 281 F HA 0.837 5.364 4.527 0.000 0.000 0.309 281 F C -0.833 175.034 175.800 0.111 0.000 1.138 281 F CA -1.138 56.890 58.000 0.047 0.000 0.943 281 F CB 1.760 40.932 39.000 0.286 0.000 1.304 281 F HN 0.199 nan 8.300 nan 0.000 0.445 282 S N 1.605 117.607 115.700 0.505 0.000 2.552 282 S HA 0.694 5.164 4.470 0.000 0.000 0.314 282 S C -1.290 173.659 174.600 0.581 0.000 1.099 282 S CA -0.547 57.897 58.200 0.406 0.000 1.070 282 S CB 1.111 64.445 63.200 0.224 0.000 0.998 282 S HN 0.702 nan 8.310 nan 0.000 0.474 283 V N 6.710 126.890 119.914 0.443 0.000 2.470 283 V HA 0.253 4.373 4.120 0.000 0.000 0.276 283 V C -0.038 176.193 176.094 0.228 0.000 1.040 283 V CA -0.294 62.101 62.300 0.158 0.000 1.008 283 V CB 0.320 31.950 31.823 -0.323 0.000 0.990 283 V HN 0.843 nan 8.190 nan 0.000 0.477 284 W N 6.582 127.977 121.300 0.157 0.000 2.471 284 W HA 0.524 5.184 4.660 0.000 0.000 0.318 284 W C -1.243 175.343 176.519 0.113 0.000 1.034 284 W CA -0.596 56.835 57.345 0.142 0.000 1.224 284 W CB 1.587 31.164 29.460 0.196 0.000 1.335 284 W HN 0.582 nan 8.180 nan 0.000 0.452 285 D N 3.994 123.846 120.400 -0.914 0.000 2.970 285 D HA 0.350 4.991 4.640 0.000 0.000 0.230 285 D C -0.265 175.550 176.300 -0.809 0.000 1.276 285 D CA -0.198 53.430 54.000 -0.620 0.000 0.910 285 D CB 2.390 43.029 40.800 -0.267 0.000 1.590 285 D HN 0.435 nan 8.370 nan 0.000 0.551 286 A N 1.995 124.489 122.820 -0.544 0.000 2.308 286 A HA 0.619 4.939 4.320 0.000 0.000 0.217 286 A C 0.861 178.343 177.584 -0.171 0.000 1.216 286 A CA 0.795 52.624 52.037 -0.348 0.000 0.864 286 A CB 0.102 19.034 19.000 -0.112 0.000 0.902 286 A HN 0.686 nan 8.150 nan 0.000 0.499 287 G N -3.206 105.504 108.800 -0.151 0.000 2.316 287 G HA2 0.595 4.555 3.960 0.000 0.000 0.296 287 G HA3 0.595 4.555 3.960 0.000 0.000 0.296 287 G C -0.038 174.824 174.900 -0.064 0.000 1.399 287 G CA 0.197 45.246 45.100 -0.084 0.000 0.833 287 G HN 1.998 nan 8.290 nan 0.000 0.565 288 G N -0.504 108.270 108.800 -0.043 0.000 2.655 288 G HA2 0.308 4.268 3.960 0.000 0.000 0.680 288 G HA3 0.308 4.268 3.960 0.000 0.000 0.680 288 G C -0.557 174.327 174.900 -0.027 0.000 1.302 288 G CA 0.174 45.254 45.100 -0.034 0.000 0.872 288 G HN 1.851 nan 8.290 nan 0.000 0.540 289 N N 1.266 119.953 118.700 -0.022 0.000 2.500 289 N HA 0.455 5.195 4.740 0.000 0.000 0.236 289 N C -0.703 174.799 175.510 -0.014 0.000 1.022 289 N CA -0.370 52.672 53.050 -0.013 0.000 0.935 289 N CB 0.527 39.009 38.487 -0.009 0.000 1.147 289 N HN 0.494 nan 8.380 nan 0.000 0.512 290 D N 1.762 122.161 120.400 -0.002 0.000 2.228 290 D HA 0.415 5.055 4.640 0.000 0.000 0.247 290 D C -0.404 175.911 176.300 0.025 0.000 0.995 290 D CA -0.168 53.846 54.000 0.024 0.000 0.903 290 D CB 1.703 42.543 40.800 0.068 0.000 1.205 290 D HN 0.331 nan 8.370 nan 0.000 0.459 291 T N 0.774 115.350 114.554 0.038 0.000 2.916 291 T HA 0.369 4.720 4.350 0.000 0.000 0.298 291 T C -0.089 174.606 174.700 -0.008 0.000 1.031 291 T CA -0.650 61.449 62.100 -0.002 0.000 0.993 291 T CB 1.169 70.011 68.868 -0.044 0.000 1.045 291 T HN 0.105 nan 8.240 nan 0.000 0.454 292 L N 3.078 124.237 121.223 -0.106 0.000 2.264 292 L HA 0.391 4.731 4.340 0.000 0.000 0.287 292 L C -0.074 176.453 176.870 -0.571 0.000 1.039 292 L CA -0.695 53.936 54.840 -0.349 0.000 0.829 292 L CB 0.639 42.507 42.059 -0.318 0.000 1.211 292 L HN 0.591 nan 8.230 nan 0.000 0.427 293 D N 3.882 123.993 120.400 -0.481 0.000 2.428 293 D HA 0.185 4.825 4.640 0.000 0.000 0.221 293 D C -0.369 175.853 176.300 -0.130 0.000 1.123 293 D CA -0.291 53.558 54.000 -0.252 0.000 0.869 293 D CB 0.701 41.461 40.800 -0.067 0.000 1.032 293 D HN 0.188 nan 8.370 nan 0.000 0.506 294 F N 1.555 121.652 119.950 0.245 0.000 2.908 294 F HA 0.090 4.617 4.527 0.000 0.000 0.328 294 F C 2.162 178.011 175.800 0.082 0.000 1.211 294 F CA -0.564 57.636 58.000 0.332 0.000 1.291 294 F CB -0.148 39.102 39.000 0.418 0.000 0.962 294 F HN 0.257 nan 8.300 nan 0.000 0.505 295 S N -0.939 114.769 115.700 0.014 0.000 2.423 295 S HA -0.085 4.385 4.470 0.000 0.000 0.231 295 S C 2.171 176.479 174.600 -0.487 0.000 1.014 295 S CA 1.122 59.210 58.200 -0.186 0.000 0.965 295 S CB -0.610 62.477 63.200 -0.188 0.000 0.785 295 S HN 0.406 nan 8.310 nan 0.000 0.495 296 G N -0.058 107.977 108.800 -1.275 0.000 2.920 296 G HA2 0.304 4.264 3.960 0.000 0.000 0.208 296 G HA3 0.304 4.264 3.960 0.000 0.000 0.208 296 G C -0.078 174.365 174.900 -0.763 0.000 1.159 296 G CA -0.276 43.863 45.100 -1.602 0.000 0.784 296 G HN 0.413 nan 8.290 nan 0.000 0.535 297 F N 0.257 120.127 119.950 -0.134 0.000 2.432 297 F HA 0.404 4.931 4.527 0.000 0.000 0.329 297 F C 1.432 177.227 175.800 -0.009 0.000 1.076 297 F CA -1.200 56.821 58.000 0.035 0.000 1.018 297 F CB 2.086 41.160 39.000 0.123 0.000 1.201 297 F HN -0.002 nan 8.300 nan 0.000 0.489 298 S N -0.603 115.229 115.700 0.219 0.000 2.502 298 S HA 0.144 4.614 4.470 0.000 0.000 0.215 298 S C 0.343 174.987 174.600 0.072 0.000 1.009 298 S CA -0.350 57.911 58.200 0.101 0.000 0.908 298 S CB -0.310 62.930 63.200 0.067 0.000 0.801 298 S HN 0.635 nan 8.310 nan 0.000 0.505 299 Q N 2.562 122.403 119.800 0.068 0.000 2.454 299 Q HA 0.360 4.700 4.340 0.000 0.000 0.247 299 Q C -0.557 175.441 176.000 -0.003 0.000 1.028 299 Q CA -0.165 55.639 55.803 0.003 0.000 0.910 299 Q CB 0.179 28.882 28.738 -0.057 0.000 1.276 299 Q HN 0.247 nan 8.270 nan 0.000 0.489 300 N N 2.125 120.808 118.700 -0.029 0.000 2.475 300 N HA 0.040 4.781 4.740 0.000 0.000 0.267 300 N C -0.757 174.711 175.510 -0.070 0.000 1.169 300 N CA 0.142 53.168 53.050 -0.040 0.000 0.947 300 N CB 0.568 39.023 38.487 -0.052 0.000 1.061 300 N HN 0.412 nan 8.380 nan 0.000 0.466 301 Q N 1.270 121.033 119.800 -0.061 0.000 2.359 301 Q HA 0.519 4.859 4.340 0.000 0.000 0.275 301 Q C -0.604 175.302 176.000 -0.155 0.000 1.082 301 Q CA -0.843 54.902 55.803 -0.097 0.000 0.849 301 Q CB 2.395 31.119 28.738 -0.023 0.000 1.377 301 Q HN 0.266 nan 8.270 nan 0.000 0.452 302 K N 1.758 122.009 120.400 -0.249 0.000 2.604 302 K HA 0.491 4.811 4.320 0.000 0.000 0.247 302 K C -1.190 175.321 176.600 -0.148 0.000 0.956 302 K CA -0.200 55.800 56.287 -0.478 0.000 0.896 302 K CB 1.219 32.938 32.500 -1.300 0.000 1.131 302 K HN 0.458 nan 8.250 nan 0.000 0.440 303 I N 2.028 122.646 120.570 0.081 0.000 2.378 303 I HA 0.249 4.419 4.170 0.000 0.000 0.291 303 I C -0.429 175.893 176.117 0.343 0.000 0.992 303 I CA -0.664 60.802 61.300 0.276 0.000 1.154 303 I CB 1.573 39.758 38.000 0.308 0.000 1.315 303 I HN 0.529 nan 8.210 nan 0.000 0.448 304 N N 6.136 125.061 118.700 0.374 0.000 2.483 304 N HA 0.392 5.133 4.740 0.000 0.000 0.267 304 N C 0.287 175.912 175.510 0.191 0.000 0.998 304 N CA -0.550 52.665 53.050 0.275 0.000 0.918 304 N CB 1.200 39.811 38.487 0.207 0.000 1.215 304 N HN 0.637 nan 8.380 nan 0.000 0.500 305 L N 1.676 122.998 121.223 0.164 0.000 2.599 305 L HA 0.141 4.481 4.340 0.000 0.000 0.230 305 L C 0.469 177.396 176.870 0.095 0.000 1.141 305 L CA 0.071 54.986 54.840 0.124 0.000 0.877 305 L CB -0.499 41.626 42.059 0.111 0.000 1.009 305 L HN 0.572 nan 8.230 nan 0.000 0.447 306 N N 1.804 120.560 118.700 0.093 0.000 2.508 306 N HA 0.034 4.774 4.740 0.000 0.000 0.264 306 N C -0.010 175.543 175.510 0.072 0.000 1.216 306 N CA -0.047 53.047 53.050 0.074 0.000 0.943 306 N CB 0.778 39.302 38.487 0.060 0.000 1.113 306 N HN 0.279 nan 8.380 nan 0.000 0.447 307 E N 0.735 120.977 120.200 0.069 0.000 2.413 307 E HA 0.011 4.361 4.350 0.000 0.000 0.263 307 E C -0.246 176.408 176.600 0.089 0.000 1.015 307 E CA -0.156 56.291 56.400 0.080 0.000 0.916 307 E CB 0.523 30.270 29.700 0.079 0.000 0.947 307 E HN 0.470 nan 8.360 nan 0.000 0.440 308 K N -0.828 119.639 120.400 0.111 0.000 3.547 308 K HA -0.247 4.073 4.320 0.000 0.000 0.309 308 K C -0.072 176.601 176.600 0.121 0.000 1.324 308 K CA 0.856 57.218 56.287 0.125 0.000 0.988 308 K CB -1.762 30.804 32.500 0.110 0.000 1.261 308 K HN 0.687 nan 8.250 nan 0.000 0.444 309 A N 0.904 123.781 122.820 0.095 0.000 2.340 309 A HA 0.557 4.877 4.320 0.000 0.000 0.268 309 A C -0.130 177.499 177.584 0.075 0.000 1.100 309 A CA -0.330 51.750 52.037 0.071 0.000 0.803 309 A CB 0.451 19.475 19.000 0.040 0.000 1.043 309 A HN 0.138 nan 8.150 nan 0.000 0.488 310 L N 1.067 122.322 121.223 0.053 0.000 2.331 310 L HA 0.591 4.931 4.340 0.000 0.000 0.275 310 L C 0.385 177.335 176.870 0.134 0.000 1.022 310 L CA 0.562 55.405 54.840 0.005 0.000 0.812 310 L CB 1.999 43.923 42.059 -0.225 0.000 1.257 310 L HN 0.693 nan 8.230 nan 0.000 0.435 311 S N 0.164 115.960 115.700 0.160 0.000 2.599 311 S HA 0.567 5.037 4.470 0.000 0.000 0.294 311 S C -1.452 173.260 174.600 0.187 0.000 1.094 311 S CA -0.809 57.597 58.200 0.343 0.000 0.931 311 S CB 1.675 65.005 63.200 0.217 0.000 1.093 311 S HN 0.434 nan 8.310 nan 0.000 0.488 312 D N 1.974 122.478 120.400 0.174 0.000 2.412 312 D HA 0.481 5.121 4.640 0.000 0.000 0.224 312 D C -0.854 175.343 176.300 -0.171 0.000 1.093 312 D CA -0.062 53.940 54.000 0.003 0.000 0.850 312 D CB 1.161 41.965 40.800 0.007 0.000 1.046 312 D HN 0.107 nan 8.370 nan 0.000 0.507 313 V N 0.716 120.447 119.914 -0.304 0.000 2.604 313 V HA 0.618 4.738 4.120 0.000 0.000 0.305 313 V C 1.132 176.835 176.094 -0.651 0.000 1.043 313 V CA -0.816 61.176 62.300 -0.513 0.000 0.888 313 V CB 1.783 33.094 31.823 -0.853 0.000 0.995 313 V HN 0.780 nan 8.190 nan 0.000 0.429 314 G N 3.065 111.330 108.800 -0.892 0.000 2.341 314 G HA2 0.067 4.027 3.960 0.000 0.000 0.292 314 G HA3 0.067 4.027 3.960 0.000 0.000 0.292 314 G C 1.185 175.663 174.900 -0.704 0.000 1.021 314 G CA 0.923 45.104 45.100 -1.531 0.000 0.905 314 G HN 2.369 nan 8.290 nan 0.000 0.508 315 G N -2.842 105.725 108.800 -0.389 0.000 2.199 315 G HA2 -0.109 3.851 3.960 0.000 0.000 0.254 315 G HA3 -0.109 3.851 3.960 0.000 0.000 0.254 315 G C 0.376 175.176 174.900 -0.166 0.000 0.982 315 G CA 0.802 45.770 45.100 -0.221 0.000 0.632 315 G HN 1.235 nan 8.290 nan 0.000 0.529 316 L N 0.051 121.157 121.223 -0.195 0.000 2.416 316 L HA 0.732 5.072 4.340 0.000 0.000 0.263 316 L C 0.635 177.482 176.870 -0.039 0.000 1.065 316 L CA -0.482 54.304 54.840 -0.090 0.000 0.798 316 L CB 1.002 43.012 42.059 -0.082 0.000 1.267 316 L HN 0.110 nan 8.230 nan 0.000 0.467 317 K N -0.008 120.421 120.400 0.049 0.000 2.323 317 K HA 0.520 4.841 4.320 0.000 0.000 0.259 317 K C 0.231 176.896 176.600 0.109 0.000 0.947 317 K CA -0.202 56.145 56.287 0.101 0.000 0.819 317 K CB 1.432 33.998 32.500 0.111 0.000 1.109 317 K HN 0.747 nan 8.250 nan 0.000 0.429 318 G N 2.778 111.607 108.800 0.048 0.000 2.341 318 G HA2 -0.349 3.611 3.960 0.000 0.000 0.292 318 G HA3 -0.349 3.611 3.960 0.000 0.000 0.292 318 G C 0.313 175.185 174.900 -0.047 0.000 1.021 318 G CA 1.085 46.045 45.100 -0.233 0.000 0.905 318 G HN 0.941 nan 8.290 nan 0.000 0.508 319 N N -2.079 116.565 118.700 -0.094 0.000 2.392 319 N HA 0.284 5.024 4.740 0.000 0.000 0.177 319 N C 0.408 175.590 175.510 -0.547 0.000 1.066 319 N CA 0.276 53.052 53.050 -0.457 0.000 0.895 319 N CB 0.696 38.876 38.487 -0.511 0.000 0.988 319 N HN 0.286 nan 8.380 nan 0.000 0.457 320 V N 1.011 120.678 119.914 -0.412 0.000 2.495 320 V HA 0.550 4.670 4.120 0.000 0.000 0.298 320 V C -0.422 175.568 176.094 -0.174 0.000 1.031 320 V CA -0.692 61.328 62.300 -0.468 0.000 0.871 320 V CB 1.526 33.061 31.823 -0.480 0.000 0.988 320 V HN 0.472 nan 8.190 nan 0.000 0.432 321 S N 4.981 120.641 115.700 -0.067 0.000 2.651 321 S HA 0.804 5.274 4.470 0.000 0.000 0.279 321 S C -1.133 173.551 174.600 0.139 0.000 1.148 321 S CA -0.843 57.389 58.200 0.053 0.000 0.837 321 S CB 2.048 65.281 63.200 0.055 0.000 1.138 321 S HN 0.431 nan 8.310 nan 0.000 0.478 322 I N 1.496 122.146 120.570 0.133 0.000 2.436 322 I HA 0.590 4.760 4.170 0.000 0.000 0.289 322 I C 0.558 176.772 176.117 0.162 0.000 1.010 322 I CA -0.957 60.419 61.300 0.128 0.000 1.098 322 I CB 1.725 39.775 38.000 0.083 0.000 1.266 322 I HN 0.977 nan 8.210 nan 0.000 0.434 323 A N 4.674 127.624 122.820 0.217 0.000 2.448 323 A HA 0.577 4.897 4.320 0.000 0.000 0.239 323 A C 0.596 178.329 177.584 0.248 0.000 1.080 323 A CA -0.149 52.056 52.037 0.279 0.000 0.779 323 A CB 0.250 19.528 19.000 0.463 0.000 1.026 323 A HN 0.862 nan 8.150 nan 0.000 0.499 324 A N 0.339 123.298 122.820 0.232 0.000 2.511 324 A HA 0.486 4.806 4.320 0.000 0.000 0.242 324 A C 1.610 179.342 177.584 0.247 0.000 1.069 324 A CA 0.792 52.943 52.037 0.190 0.000 0.763 324 A CB -0.781 18.308 19.000 0.148 0.000 1.001 324 A HN 2.767 nan 8.150 nan 0.000 0.498 325 G N 0.831 109.736 108.800 0.174 0.000 2.176 325 G HA2 -0.159 3.801 3.960 0.000 0.000 0.253 325 G HA3 -0.159 3.801 3.960 0.000 0.000 0.253 325 G C 0.163 175.115 174.900 0.088 0.000 0.979 325 G CA 0.165 45.363 45.100 0.164 0.000 0.641 325 G HN 1.438 nan 8.290 nan 0.000 0.530 326 V N 1.253 121.202 119.914 0.059 0.000 2.481 326 V HA 0.663 4.783 4.120 0.000 0.000 0.286 326 V C 0.422 176.491 176.094 -0.042 0.000 1.042 326 V CA 0.065 62.322 62.300 -0.073 0.000 0.928 326 V CB 1.784 33.547 31.823 -0.099 0.000 0.986 326 V HN 0.237 nan 8.190 nan 0.000 0.462 327 T N 4.284 118.795 114.554 -0.071 0.000 2.821 327 T HA 0.449 4.799 4.350 0.000 0.000 0.307 327 T C -0.357 174.316 174.700 -0.045 0.000 1.034 327 T CA -0.257 61.822 62.100 -0.035 0.000 0.953 327 T CB 1.093 69.948 68.868 -0.022 0.000 0.968 327 T HN 0.343 nan 8.240 nan 0.000 0.462 328 V N 4.312 124.210 119.914 -0.027 0.000 2.370 328 V HA 0.253 4.373 4.120 0.000 0.000 0.279 328 V C 0.805 176.904 176.094 0.008 0.000 1.029 328 V CA -0.492 61.793 62.300 -0.025 0.000 0.870 328 V CB 1.465 33.266 31.823 -0.036 0.000 0.984 328 V HN 0.783 nan 8.190 nan 0.000 0.451 329 E N 2.447 122.653 120.200 0.010 0.000 2.086 329 E HA 0.065 4.415 4.350 0.000 0.000 0.190 329 E C 0.378 177.001 176.600 0.039 0.000 0.975 329 E CA 0.848 57.263 56.400 0.025 0.000 0.813 329 E CB 0.144 29.855 29.700 0.019 0.000 0.768 329 E HN 0.706 nan 8.360 nan 0.000 0.457 330 N N -0.436 118.283 118.700 0.031 0.000 2.381 330 N HA 0.663 5.403 4.740 0.000 0.000 0.294 330 N C -1.163 174.363 175.510 0.026 0.000 1.216 330 N CA -0.612 52.459 53.050 0.036 0.000 0.803 330 N CB 2.134 40.633 38.487 0.020 0.000 1.372 330 N HN 0.021 nan 8.380 nan 0.000 0.500 331 A N 0.617 123.461 122.820 0.039 0.000 2.488 331 A HA 0.695 5.015 4.320 0.000 0.000 0.298 331 A C -1.242 176.364 177.584 0.037 0.000 1.044 331 A CA -0.600 51.456 52.037 0.031 0.000 0.693 331 A CB 0.953 20.015 19.000 0.103 0.000 1.272 331 A HN 0.582 nan 8.150 nan 0.000 0.402 332 I N 2.523 123.095 120.570 0.003 0.000 2.410 332 I HA 0.485 4.655 4.170 0.000 0.000 0.286 332 I C 0.974 177.152 176.117 0.102 0.000 1.009 332 I CA -0.570 60.744 61.300 0.023 0.000 1.111 332 I CB 1.973 39.951 38.000 -0.037 0.000 1.262 332 I HN 0.800 nan 8.210 nan 0.000 0.443 333 G N 3.683 112.554 108.800 0.119 0.000 2.588 333 G HA2 0.578 4.538 3.960 0.000 0.000 0.278 333 G HA3 0.578 4.538 3.960 0.000 0.000 0.278 333 G C 0.189 175.164 174.900 0.125 0.000 1.307 333 G CA -0.089 45.108 45.100 0.161 0.000 1.016 333 G HN 0.699 nan 8.290 nan 0.000 0.503 334 G N -1.766 107.113 108.800 0.131 0.000 2.828 334 G HA2 0.408 4.368 3.960 0.000 0.000 0.244 334 G HA3 0.408 4.368 3.960 0.000 0.000 0.244 334 G C 1.225 176.147 174.900 0.038 0.000 1.365 334 G CA 0.746 45.892 45.100 0.076 0.000 1.041 334 G HN 1.101 nan 8.290 nan 0.000 0.560 335 S N -1.204 114.507 115.700 0.019 0.000 2.607 335 S HA 0.242 4.713 4.470 0.000 0.000 0.224 335 S C 1.207 175.817 174.600 0.017 0.000 0.969 335 S CA 0.418 58.623 58.200 0.008 0.000 0.927 335 S CB -0.234 62.962 63.200 -0.006 0.000 0.772 335 S HN 0.846 nan 8.310 nan 0.000 0.533 336 G N 0.648 109.467 108.800 0.031 0.000 2.557 336 G HA2 0.490 4.450 3.960 0.000 0.000 0.292 336 G HA3 0.490 4.450 3.960 0.000 0.000 0.292 336 G C -0.763 174.143 174.900 0.009 0.000 1.237 336 G CA -0.776 44.335 45.100 0.018 0.000 0.978 336 G HN 0.283 nan 8.290 nan 0.000 0.498 337 S N 1.173 116.869 115.700 -0.006 0.000 2.416 337 S HA 0.297 4.767 4.470 0.000 0.000 0.287 337 S C -0.587 173.998 174.600 -0.025 0.000 1.139 337 S CA -0.446 57.743 58.200 -0.017 0.000 1.058 337 S CB 0.419 63.604 63.200 -0.025 0.000 0.967 337 S HN 0.481 nan 8.310 nan 0.000 0.495 338 D N 1.747 122.138 120.400 -0.017 0.000 2.340 338 D HA 0.409 5.049 4.640 0.000 0.000 0.243 338 D C -0.648 175.631 176.300 -0.036 0.000 0.988 338 D CA -0.636 53.351 54.000 -0.021 0.000 0.959 338 D CB 1.657 42.474 40.800 0.028 0.000 1.226 338 D HN 0.285 nan 8.370 nan 0.000 0.509 339 L N 1.256 122.443 121.223 -0.060 0.000 2.298 339 L HA 0.370 4.710 4.340 0.000 0.000 0.284 339 L C -1.728 175.149 176.870 0.012 0.000 1.013 339 L CA -0.530 54.277 54.840 -0.055 0.000 0.824 339 L CB 0.900 42.872 42.059 -0.146 0.000 1.221 339 L HN 0.157 nan 8.230 nan 0.000 0.418 340 L N 6.825 128.089 121.223 0.068 0.000 2.319 340 L HA 0.534 4.874 4.340 0.000 0.000 0.281 340 L C -0.478 176.497 176.870 0.175 0.000 1.005 340 L CA 0.055 54.973 54.840 0.129 0.000 0.828 340 L CB 1.505 43.642 42.059 0.131 0.000 1.227 340 L HN 0.490 nan 8.230 nan 0.000 0.415 341 I N 2.729 123.427 120.570 0.213 0.000 2.355 341 I HA 0.493 4.663 4.170 0.000 0.000 0.288 341 I C 0.922 177.184 176.117 0.241 0.000 0.999 341 I CA -0.357 61.108 61.300 0.275 0.000 1.163 341 I CB 1.607 39.749 38.000 0.237 0.000 1.316 341 I HN 0.680 nan 8.210 nan 0.000 0.454 342 G N 4.602 113.540 108.800 0.229 0.000 2.535 342 G HA2 0.354 4.314 3.960 0.000 0.000 0.282 342 G HA3 0.354 4.314 3.960 0.000 0.000 0.282 342 G C -0.390 174.594 174.900 0.141 0.000 1.350 342 G CA -0.378 44.806 45.100 0.140 0.000 1.039 342 G HN 0.711 nan 8.290 nan 0.000 0.509 343 N N -2.094 116.662 118.700 0.092 0.000 3.184 343 N HA 0.269 5.009 4.740 0.000 0.000 0.353 343 N C 0.138 175.683 175.510 0.058 0.000 1.441 343 N CA -0.649 52.452 53.050 0.085 0.000 0.723 343 N CB 0.356 38.886 38.487 0.072 0.000 1.547 343 N HN 0.193 nan 8.380 nan 0.000 0.624 344 D N -0.863 119.570 120.400 0.055 0.000 2.310 344 D HA -0.016 4.624 4.640 0.000 0.000 0.212 344 D C 0.734 177.054 176.300 0.033 0.000 0.965 344 D CA 0.722 54.749 54.000 0.044 0.000 0.879 344 D CB -0.299 40.529 40.800 0.046 0.000 0.921 344 D HN 0.445 nan 8.370 nan 0.000 0.510 345 V N -2.125 117.809 119.914 0.033 0.000 3.336 345 V HA 0.716 4.836 4.120 0.000 0.000 0.314 345 V C 0.253 176.364 176.094 0.028 0.000 1.088 345 V CA -1.340 60.977 62.300 0.028 0.000 1.033 345 V CB 1.094 32.932 31.823 0.025 0.000 1.181 345 V HN -0.003 nan 8.190 nan 0.000 0.449 346 A N 1.906 124.742 122.820 0.028 0.000 2.491 346 A HA 0.460 4.780 4.320 0.000 0.000 0.261 346 A C 0.110 177.719 177.584 0.043 0.000 1.101 346 A CA -0.089 51.968 52.037 0.033 0.000 0.772 346 A CB -1.447 17.572 19.000 0.031 0.000 1.043 346 A HN 1.002 nan 8.150 nan 0.000 0.501 347 N N 0.523 119.256 118.700 0.054 0.000 2.335 347 N HA 0.563 5.303 4.740 0.000 0.000 0.304 347 N C -1.312 174.260 175.510 0.104 0.000 1.135 347 N CA -0.760 52.332 53.050 0.071 0.000 0.817 347 N CB 2.278 40.809 38.487 0.073 0.000 1.294 347 N HN 0.285 nan 8.380 nan 0.000 0.497 348 V N 2.267 122.250 119.914 0.116 0.000 2.347 348 V HA 0.390 4.510 4.120 0.000 0.000 0.280 348 V C -0.591 175.604 176.094 0.168 0.000 1.021 348 V CA -0.555 61.850 62.300 0.175 0.000 0.847 348 V CB 0.470 32.380 31.823 0.145 0.000 0.990 348 V HN 0.458 nan 8.190 nan 0.000 0.444 349 L N 5.712 127.078 121.223 0.239 0.000 2.333 349 L HA 0.637 4.977 4.340 0.000 0.000 0.280 349 L C -0.273 176.766 176.870 0.281 0.000 1.004 349 L CA -0.648 54.319 54.840 0.212 0.000 0.820 349 L CB 1.941 44.120 42.059 0.200 0.000 1.247 349 L HN 0.503 nan 8.230 nan 0.000 0.416 350 K N 1.732 122.239 120.400 0.178 0.000 2.502 350 K HA 0.336 4.656 4.320 0.000 0.000 0.254 350 K C 0.743 177.420 176.600 0.129 0.000 0.947 350 K CA -0.451 55.937 56.287 0.168 0.000 0.834 350 K CB 2.257 34.754 32.500 -0.005 0.000 1.112 350 K HN 0.780 nan 8.250 nan 0.000 0.427 351 G N 1.980 110.869 108.800 0.148 0.000 2.421 351 G HA2 0.149 4.109 3.960 0.000 0.000 0.217 351 G HA3 0.149 4.109 3.960 0.000 0.000 0.217 351 G C 0.736 175.675 174.900 0.065 0.000 1.143 351 G CA 0.679 45.833 45.100 0.089 0.000 0.784 351 G HN 0.941 nan 8.290 nan 0.000 0.541 352 G N -0.546 108.293 108.800 0.065 0.000 2.642 352 G HA2 0.281 4.241 3.960 0.000 0.000 0.231 352 G HA3 0.281 4.241 3.960 0.000 0.000 0.231 352 G C 0.426 175.345 174.900 0.031 0.000 1.338 352 G CA -0.011 45.109 45.100 0.034 0.000 0.883 352 G HN 1.415 nan 8.290 nan 0.000 0.570 353 A N -0.608 122.220 122.820 0.014 0.000 2.386 353 A HA 0.862 5.182 4.320 0.000 0.000 0.246 353 A C 1.728 179.317 177.584 0.008 0.000 1.089 353 A CA 2.035 54.078 52.037 0.010 0.000 0.790 353 A CB -0.114 18.886 19.000 0.000 0.000 1.042 353 A HN 3.025 nan 8.150 nan 0.000 0.497 354 G N 0.124 108.926 108.800 0.002 0.000 2.662 354 G HA2 -0.085 3.875 3.960 0.000 0.000 0.686 354 G HA3 -0.085 3.875 3.960 0.000 0.000 0.686 354 G C -0.738 174.153 174.900 -0.014 0.000 1.271 354 G CA -0.386 44.712 45.100 -0.004 0.000 0.816 354 G HN 1.000 nan 8.290 nan 0.000 0.608 355 N N 2.169 120.856 118.700 -0.022 0.000 2.555 355 N HA 0.260 5.000 4.740 0.000 0.000 0.244 355 N C -0.305 175.176 175.510 -0.047 0.000 1.114 355 N CA -0.086 52.942 53.050 -0.037 0.000 0.963 355 N CB 0.589 39.057 38.487 -0.031 0.000 1.276 355 N HN 0.541 nan 8.380 nan 0.000 0.510 356 D N 1.173 121.536 120.400 -0.063 0.000 2.348 356 D HA 0.375 5.015 4.640 0.000 0.000 0.249 356 D C 0.483 176.713 176.300 -0.117 0.000 1.110 356 D CA -0.116 53.842 54.000 -0.070 0.000 0.967 356 D CB 1.936 42.708 40.800 -0.046 0.000 1.139 356 D HN 0.253 nan 8.370 nan 0.000 0.466 357 I N 1.639 122.157 120.570 -0.088 0.000 2.411 357 I HA 0.156 4.326 4.170 0.000 0.000 0.284 357 I C -0.978 175.111 176.117 -0.048 0.000 1.012 357 I CA -0.666 60.583 61.300 -0.085 0.000 1.119 357 I CB 1.235 39.211 38.000 -0.041 0.000 1.261 357 I HN -0.038 nan 8.210 nan 0.000 0.448 358 L N 7.110 128.282 121.223 -0.084 0.000 2.317 358 L HA 0.422 4.762 4.340 0.000 0.000 0.281 358 L C -0.903 176.041 176.870 0.122 0.000 1.024 358 L CA -0.563 54.299 54.840 0.036 0.000 0.810 358 L CB 1.185 43.277 42.059 0.056 0.000 1.240 358 L HN 0.392 nan 8.230 nan 0.000 0.427 359 Y N 1.449 121.749 120.300 0.000 0.000 2.373 359 Y HA 0.498 5.048 4.550 0.000 0.000 0.327 359 Y C 0.918 176.811 175.900 -0.013 0.000 1.036 359 Y CA -0.584 57.487 58.100 -0.048 0.000 1.265 359 Y CB 1.681 40.116 38.460 -0.042 0.000 1.108 359 Y HN 0.663 nan 8.280 nan 0.000 0.471 360 G N 3.029 111.597 108.800 -0.387 0.000 2.422 360 G HA2 0.270 4.230 3.960 0.000 0.000 0.218 360 G HA3 0.270 4.230 3.960 0.000 0.000 0.218 360 G C 0.895 175.565 174.900 -0.383 0.000 1.140 360 G CA 0.663 45.606 45.100 -0.262 0.000 0.775 360 G HN 1.434 nan 8.290 nan 0.000 0.545 361 G N -0.426 107.855 108.800 -0.866 0.000 2.598 361 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 361 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 361 G C 0.116 174.910 174.900 -0.178 0.000 1.302 361 G CA -0.229 44.545 45.100 -0.542 0.000 0.903 361 G HN 0.611 nan 8.290 nan 0.000 0.575 362 L N 1.571 122.771 121.223 -0.038 0.000 2.476 362 L HA 0.506 4.846 4.340 0.000 0.000 0.264 362 L C 1.482 178.356 176.870 0.008 0.000 1.224 362 L CA 0.819 55.666 54.840 0.012 0.000 0.821 362 L CB -0.042 42.041 42.059 0.038 0.000 1.101 362 L HN 2.485 nan 8.230 nan 0.000 0.488 363 G N 0.695 109.508 108.800 0.022 0.000 2.730 363 G HA2 0.044 4.004 3.960 0.000 0.000 0.686 363 G HA3 0.044 4.004 3.960 0.000 0.000 0.686 363 G C -0.548 174.362 174.900 0.018 0.000 1.343 363 G CA -0.461 44.651 45.100 0.019 0.000 0.826 363 G HN 0.993 nan 8.290 nan 0.000 0.582 364 A N 1.413 124.241 122.820 0.015 0.000 2.527 364 A HA 0.568 4.888 4.320 0.000 0.000 0.313 364 A C 0.327 177.923 177.584 0.020 0.000 1.410 364 A CA -0.091 51.952 52.037 0.009 0.000 1.060 364 A CB -0.014 18.986 19.000 -0.001 0.000 1.137 364 A HN 0.576 nan 8.150 nan 0.000 0.542 365 D N 1.931 122.347 120.400 0.027 0.000 2.225 365 D HA 0.268 4.908 4.640 0.000 0.000 0.249 365 D C -0.315 176.014 176.300 0.049 0.000 1.052 365 D CA -0.052 53.975 54.000 0.046 0.000 0.909 365 D CB 1.085 41.911 40.800 0.043 0.000 1.186 365 D HN 0.425 nan 8.370 nan 0.000 0.431 366 Q N 1.717 121.570 119.800 0.088 0.000 2.398 366 Q HA 0.394 4.734 4.340 0.000 0.000 0.251 366 Q C -0.404 175.695 176.000 0.165 0.000 0.999 366 Q CA -0.338 55.516 55.803 0.086 0.000 0.874 366 Q CB 1.515 30.364 28.738 0.185 0.000 1.215 366 Q HN 0.325 nan 8.270 nan 0.000 0.470 367 L N 2.318 123.571 121.223 0.051 0.000 2.313 367 L HA 0.542 4.883 4.340 0.000 0.000 0.283 367 L C -0.823 176.143 176.870 0.159 0.000 1.013 367 L CA -0.815 54.163 54.840 0.230 0.000 0.816 367 L CB 0.999 43.256 42.059 0.330 0.000 1.236 367 L HN 0.439 nan 8.230 nan 0.000 0.419 368 W N 1.706 123.169 121.300 0.272 0.000 2.471 368 W HA 0.524 5.184 4.660 0.000 0.000 0.318 368 W C 1.002 177.701 176.519 0.300 0.000 1.034 368 W CA -0.658 56.836 57.345 0.250 0.000 1.224 368 W CB 1.681 31.225 29.460 0.139 0.000 1.335 368 W HN 0.601 nan 8.180 nan 0.000 0.452 369 G N 1.510 110.648 108.800 0.563 0.000 2.494 369 G HA2 0.364 4.324 3.960 0.000 0.000 0.216 369 G HA3 0.364 4.324 3.960 0.000 0.000 0.216 369 G C 0.889 175.913 174.900 0.206 0.000 1.140 369 G CA 0.632 45.918 45.100 0.310 0.000 0.801 369 G HN 1.018 nan 8.290 nan 0.000 0.536 370 G N -0.439 108.515 108.800 0.256 0.000 2.642 370 G HA2 0.286 4.246 3.960 0.000 0.000 0.231 370 G HA3 0.286 4.246 3.960 0.000 0.000 0.231 370 G C 0.384 175.348 174.900 0.106 0.000 1.338 370 G CA -0.060 45.143 45.100 0.172 0.000 0.883 370 G HN 1.399 nan 8.290 nan 0.000 0.570 371 A N -0.490 122.369 122.820 0.065 0.000 2.406 371 A HA 0.896 5.216 4.320 0.000 0.000 0.243 371 A C 1.669 179.264 177.584 0.018 0.000 1.082 371 A CA 1.987 54.046 52.037 0.036 0.000 0.786 371 A CB 0.062 19.076 19.000 0.023 0.000 1.029 371 A HN 3.010 nan 8.150 nan 0.000 0.495 372 G N -1.332 107.469 108.800 0.002 0.000 2.655 372 G HA2 0.443 4.403 3.960 0.000 0.000 0.680 372 G HA3 0.443 4.403 3.960 0.000 0.000 0.680 372 G C -0.029 174.854 174.900 -0.028 0.000 1.302 372 G CA -0.214 44.879 45.100 -0.012 0.000 0.872 372 G HN 2.253 nan 8.290 nan 0.000 0.540 373 A N 0.915 123.714 122.820 -0.036 0.000 2.527 373 A HA 0.594 4.914 4.320 0.000 0.000 0.313 373 A C 0.165 177.707 177.584 -0.069 0.000 1.410 373 A CA -0.075 51.931 52.037 -0.051 0.000 1.060 373 A CB 0.001 18.979 19.000 -0.036 0.000 1.137 373 A HN 0.566 nan 8.150 nan 0.000 0.542 374 D N 1.397 121.736 120.400 -0.102 0.000 2.229 374 D HA 0.510 5.150 4.640 0.000 0.000 0.249 374 D C -0.397 175.744 176.300 -0.265 0.000 1.027 374 D CA 0.269 54.143 54.000 -0.210 0.000 0.923 374 D CB 1.808 42.440 40.800 -0.280 0.000 1.174 374 D HN 0.374 nan 8.370 nan 0.000 0.443 375 T N 1.091 115.428 114.554 -0.362 0.000 2.841 375 T HA 0.402 4.752 4.350 0.000 0.000 0.285 375 T C -0.528 173.968 174.700 -0.341 0.000 0.991 375 T CA -0.563 61.422 62.100 -0.191 0.000 0.966 375 T CB 0.453 69.308 68.868 -0.020 0.000 0.962 375 T HN 0.089 nan 8.240 nan 0.000 0.438 376 F N 2.201 122.297 119.950 0.244 0.000 2.361 376 F HA 0.503 5.030 4.527 0.000 0.000 0.364 376 F C 0.228 176.168 175.800 0.234 0.000 1.117 376 F CA -1.040 57.096 58.000 0.227 0.000 1.071 376 F CB 0.849 40.051 39.000 0.336 0.000 1.188 376 F HN 0.190 nan 8.300 nan 0.000 0.464 377 V N 3.987 124.007 119.914 0.177 0.000 2.481 377 V HA 0.318 4.438 4.120 0.000 0.000 0.286 377 V C -0.780 175.263 176.094 -0.086 0.000 1.042 377 V CA -0.888 61.539 62.300 0.212 0.000 0.928 377 V CB 1.063 33.046 31.823 0.265 0.000 0.986 377 V HN 0.493 nan 8.190 nan 0.000 0.462 378 Y N 1.671 122.224 120.300 0.423 0.000 2.361 378 Y HA 0.613 5.163 4.550 0.000 0.000 0.337 378 Y C 0.897 177.042 175.900 0.410 0.000 0.965 378 Y CA -0.592 57.737 58.100 0.381 0.000 1.091 378 Y CB 2.316 40.996 38.460 0.368 0.000 1.182 378 Y HN 0.644 nan 8.280 nan 0.000 0.450 379 G N 0.736 109.860 108.800 0.539 0.000 3.062 379 G HA2 0.070 4.030 3.960 0.000 0.000 0.228 379 G HA3 0.070 4.030 3.960 0.000 0.000 0.228 379 G C -0.482 174.586 174.900 0.281 0.000 1.094 379 G CA 0.185 45.588 45.100 0.504 0.000 0.782 379 G HN 0.523 nan 8.290 nan 0.000 0.541 380 D N -0.264 120.277 120.400 0.235 0.000 2.927 380 D HA 0.086 4.726 4.640 0.000 0.000 0.219 380 D C 1.663 178.023 176.300 0.100 0.000 1.248 380 D CA -0.591 53.468 54.000 0.099 0.000 0.861 380 D CB 1.959 42.832 40.800 0.121 0.000 1.677 380 D HN 0.061 nan 8.370 nan 0.000 0.511 381 I N 0.654 121.175 120.570 -0.082 0.000 2.423 381 I HA -0.137 4.034 4.170 0.000 0.000 0.254 381 I C 1.801 178.073 176.117 0.258 0.000 1.151 381 I CA 1.310 62.620 61.300 0.017 0.000 1.421 381 I CB -0.315 37.530 38.000 -0.258 0.000 1.079 381 I HN 0.249 nan 8.210 nan 0.000 0.431 382 A N 1.216 124.118 122.820 0.137 0.000 2.125 382 A HA -0.145 4.175 4.320 0.000 0.000 0.219 382 A C 2.115 179.788 177.584 0.149 0.000 1.156 382 A CA 1.426 53.538 52.037 0.125 0.000 0.671 382 A CB -0.676 18.371 19.000 0.078 0.000 0.794 382 A HN 0.632 nan 8.150 nan 0.000 0.459 383 E N -0.833 119.495 120.200 0.213 0.000 2.347 383 E HA 0.003 4.353 4.350 0.000 0.000 0.196 383 E C 0.248 176.976 176.600 0.214 0.000 1.008 383 E CA 0.793 57.309 56.400 0.193 0.000 0.852 383 E CB 0.088 29.910 29.700 0.203 0.000 0.783 383 E HN 0.336 nan 8.360 nan 0.000 0.505 384 S N 0.710 116.543 115.700 0.222 0.000 2.605 384 S HA 0.090 4.561 4.470 0.000 0.000 0.142 384 S C -0.539 173.966 174.600 -0.159 0.000 1.452 384 S CA -0.540 57.639 58.200 -0.035 0.000 1.240 384 S CB 0.011 63.065 63.200 -0.243 0.000 1.538 384 S HN 0.234 nan 8.310 nan 0.000 0.394 385 S N 1.541 117.237 115.700 -0.007 0.000 2.584 385 S HA 0.580 5.051 4.470 0.000 0.000 0.270 385 S C 1.679 176.249 174.600 -0.050 0.000 1.346 385 S CA -0.069 58.142 58.200 0.020 0.000 1.018 385 S CB 1.107 64.333 63.200 0.045 0.000 0.899 385 S HN 0.787 nan 8.310 nan 0.000 0.542 386 A N 1.712 124.525 122.820 -0.013 0.000 2.019 386 A HA 0.153 4.473 4.320 0.000 0.000 0.219 386 A C 2.311 179.879 177.584 -0.028 0.000 1.164 386 A CA 1.613 53.633 52.037 -0.028 0.000 0.644 386 A CB -1.507 17.498 19.000 0.009 0.000 0.805 386 A HN 1.313 nan 8.150 nan 0.000 0.449 387 A N -1.040 121.772 122.820 -0.013 0.000 1.968 387 A HA 0.453 4.773 4.320 0.000 0.000 0.217 387 A C 1.407 178.980 177.584 -0.017 0.000 1.169 387 A CA 1.462 53.492 52.037 -0.011 0.000 0.638 387 A CB -0.307 18.694 19.000 0.002 0.000 0.812 387 A HN 1.347 nan 8.150 nan 0.000 0.446 388 A N 0.156 122.963 122.820 -0.022 0.000 3.370 388 A HA 0.561 4.881 4.320 0.000 0.000 0.295 388 A C -2.906 174.653 177.584 -0.042 0.000 1.030 388 A CA -1.174 50.849 52.037 -0.023 0.000 0.883 388 A CB 0.439 19.436 19.000 -0.005 0.000 1.191 388 A HN 0.236 nan 8.150 nan 0.000 0.507 389 P HA 0.269 nan 4.420 nan 0.000 0.274 389 P C -0.771 176.478 177.300 -0.085 0.000 1.231 389 P CA 0.117 63.144 63.100 -0.122 0.000 0.790 389 P CB 1.114 32.718 31.700 -0.162 0.000 0.951 390 D N 0.432 120.785 120.400 -0.078 0.000 2.384 390 D HA 0.297 4.937 4.640 0.000 0.000 0.244 390 D C 0.019 176.266 176.300 -0.087 0.000 1.251 390 D CA 0.622 54.605 54.000 -0.028 0.000 0.961 390 D CB 0.190 41.033 40.800 0.072 0.000 1.116 390 D HN 0.232 nan 8.370 nan 0.000 0.484 391 T N 0.733 115.230 114.554 -0.095 0.000 2.937 391 T HA 0.373 4.723 4.350 0.000 0.000 0.297 391 T C -0.291 174.269 174.700 -0.234 0.000 0.991 391 T CA -0.610 61.395 62.100 -0.158 0.000 0.990 391 T CB 0.591 69.375 68.868 -0.140 0.000 0.991 391 T HN 0.083 nan 8.240 nan 0.000 0.440 392 L N 4.148 125.188 121.223 -0.305 0.000 2.268 392 L HA 0.402 4.742 4.340 0.000 0.000 0.289 392 L C 1.547 178.181 176.870 -0.394 0.000 1.064 392 L CA -0.767 53.815 54.840 -0.431 0.000 0.824 392 L CB 0.604 42.333 42.059 -0.551 0.000 1.202 392 L HN 0.446 nan 8.230 nan 0.000 0.433 393 R N 2.050 122.188 120.500 -0.603 0.000 2.307 393 R HA -0.014 4.326 4.340 0.000 0.000 0.199 393 R C -0.028 175.920 176.300 -0.588 0.000 1.000 393 R CA 0.379 55.975 56.100 -0.840 0.000 1.023 393 R CB -0.206 28.934 30.300 -1.934 0.000 0.908 393 R HN 0.748 nan 8.270 nan 0.000 0.473 394 D N -1.980 118.263 120.400 -0.262 0.000 3.118 394 D HA -0.026 4.614 4.640 0.000 0.000 0.352 394 D C -0.583 175.763 176.300 0.076 0.000 1.498 394 D CA -0.620 53.368 54.000 -0.020 0.000 0.759 394 D CB -1.196 39.688 40.800 0.139 0.000 1.251 394 D HN -0.147 nan 8.370 nan 0.000 0.504 395 F N 1.182 121.083 119.950 -0.082 0.000 2.538 395 F HA 0.353 4.880 4.527 0.000 0.000 0.371 395 F C -0.120 175.678 175.800 -0.003 0.000 1.087 395 F CA 0.098 58.078 58.000 -0.033 0.000 1.250 395 F CB 0.959 39.889 39.000 -0.117 0.000 1.110 395 F HN -0.094 nan 8.300 nan 0.000 0.570 396 V N 6.202 125.850 119.914 -0.443 0.000 2.349 396 V HA 0.163 4.283 4.120 0.000 0.000 0.284 396 V C 0.013 175.913 176.094 -0.323 0.000 1.014 396 V CA -0.862 61.294 62.300 -0.240 0.000 0.826 396 V CB 1.103 32.834 31.823 -0.152 0.000 1.009 396 V HN 0.830 nan 8.190 nan 0.000 0.431 397 S N 3.963 119.617 115.700 -0.075 0.000 2.558 397 S HA 0.374 4.844 4.470 0.000 0.000 0.291 397 S C 1.480 176.053 174.600 -0.045 0.000 1.306 397 S CA 1.235 59.446 58.200 0.018 0.000 1.056 397 S CB 0.351 63.576 63.200 0.042 0.000 0.836 397 S HN 1.950 nan 8.310 nan 0.000 0.504 398 G N 3.136 111.924 108.800 -0.020 0.000 2.225 398 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 398 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 398 G C 0.620 175.491 174.900 -0.048 0.000 0.988 398 G CA 0.937 46.022 45.100 -0.025 0.000 0.625 398 G HN 0.770 nan 8.290 nan 0.000 0.527 399 Q N -0.441 119.298 119.800 -0.102 0.000 2.619 399 Q HA 0.185 4.525 4.340 0.000 0.000 0.230 399 Q C 0.108 176.028 176.000 -0.134 0.000 0.871 399 Q CA 0.279 56.019 55.803 -0.104 0.000 0.934 399 Q CB 0.590 29.263 28.738 -0.109 0.000 1.183 399 Q HN 0.439 nan 8.270 nan 0.000 0.631 400 D N 1.169 121.394 120.400 -0.292 0.000 2.387 400 D HA 0.289 4.929 4.640 0.000 0.000 0.251 400 D C -0.509 175.758 176.300 -0.055 0.000 1.141 400 D CA 0.055 53.891 54.000 -0.274 0.000 0.987 400 D CB 1.140 41.609 40.800 -0.552 0.000 1.116 400 D HN 0.001 nan 8.370 nan 0.000 0.491 401 K N 0.639 121.192 120.400 0.254 0.000 2.464 401 K HA 0.485 4.805 4.320 0.000 0.000 0.253 401 K C -0.646 176.330 176.600 0.626 0.000 0.933 401 K CA -0.630 55.910 56.287 0.423 0.000 0.801 401 K CB 2.306 34.944 32.500 0.231 0.000 1.271 401 K HN 0.337 nan 8.250 nan 0.000 0.430 402 I N 1.838 122.731 120.570 0.539 0.000 2.312 402 I HA 0.102 4.272 4.170 0.000 0.000 0.290 402 I C -0.087 176.268 176.117 0.398 0.000 1.008 402 I CA -0.415 61.180 61.300 0.491 0.000 1.226 402 I CB 1.076 39.235 38.000 0.265 0.000 1.371 402 I HN 0.310 nan 8.210 nan 0.000 0.468 403 D N 7.868 128.544 120.400 0.460 0.000 2.373 403 D HA 0.303 4.943 4.640 0.000 0.000 0.227 403 D C 0.223 176.773 176.300 0.418 0.000 1.091 403 D CA -0.217 53.999 54.000 0.360 0.000 0.840 403 D CB 1.379 42.367 40.800 0.313 0.000 1.060 403 D HN 0.457 nan 8.370 nan 0.000 0.502 404 L N 2.746 124.147 121.223 0.295 0.000 2.808 404 L HA 0.043 4.383 4.340 0.000 0.000 0.246 404 L C 2.225 179.237 176.870 0.236 0.000 1.153 404 L CA -0.144 54.884 54.840 0.313 0.000 0.956 404 L CB 0.154 42.419 42.059 0.342 0.000 1.270 404 L HN 0.279 nan 8.230 nan 0.000 0.528 405 S N 0.247 116.014 115.700 0.111 0.000 2.420 405 S HA -0.160 4.310 4.470 0.000 0.000 0.237 405 S C 1.839 176.392 174.600 -0.079 0.000 1.023 405 S CA 1.414 59.617 58.200 0.006 0.000 0.991 405 S CB -0.591 62.609 63.200 0.001 0.000 0.792 405 S HN 0.466 nan 8.310 nan 0.000 0.488 406 G N 0.667 109.329 108.800 -0.230 0.000 2.880 406 G HA2 0.332 4.292 3.960 0.000 0.000 0.209 406 G HA3 0.332 4.292 3.960 0.000 0.000 0.209 406 G C 0.385 175.124 174.900 -0.269 0.000 1.157 406 G CA -0.483 44.165 45.100 -0.754 0.000 0.779 406 G HN 0.480 nan 8.290 nan 0.000 0.539 407 L N 0.846 122.064 121.223 -0.008 0.000 2.490 407 L HA 0.046 4.386 4.340 0.000 0.000 0.274 407 L C 1.522 178.322 176.870 -0.117 0.000 1.201 407 L CA -0.402 54.400 54.840 -0.063 0.000 0.869 407 L CB 0.754 42.728 42.059 -0.141 0.000 1.123 407 L HN 0.081 nan 8.230 nan 0.000 0.484 408 D N 2.408 122.714 120.400 -0.157 0.000 2.149 408 D HA -0.227 4.413 4.640 0.000 0.000 0.194 408 D C 1.990 178.185 176.300 -0.174 0.000 1.001 408 D CA 1.882 55.802 54.000 -0.134 0.000 0.849 408 D CB 0.297 41.021 40.800 -0.126 0.000 0.939 408 D HN 0.720 nan 8.370 nan 0.000 0.449 409 A N -0.827 121.793 122.820 -0.332 0.000 1.948 409 A HA -0.183 4.137 4.320 0.000 0.000 0.220 409 A C 1.883 179.279 177.584 -0.313 0.000 1.177 409 A CA 1.420 53.224 52.037 -0.389 0.000 0.636 409 A CB -0.811 17.823 19.000 -0.609 0.000 0.815 409 A HN 0.291 nan 8.150 nan 0.000 0.449 410 F N -0.553 119.379 119.950 -0.030 0.000 2.164 410 F HA 0.002 4.529 4.527 0.000 0.000 0.287 410 F C 2.542 178.322 175.800 -0.034 0.000 1.086 410 F CA 1.159 59.150 58.000 -0.016 0.000 1.249 410 F CB -1.078 37.914 39.000 -0.012 0.000 1.059 410 F HN 0.100 nan 8.300 nan 0.000 0.490 411 V N -1.330 118.666 119.914 0.137 0.000 2.759 411 V HA -0.126 3.994 4.120 0.000 0.000 0.256 411 V C 1.424 177.529 176.094 0.019 0.000 1.080 411 V CA 2.114 64.441 62.300 0.045 0.000 1.101 411 V CB -0.625 31.185 31.823 -0.023 0.000 0.698 411 V HN 0.358 nan 8.190 nan 0.000 0.477 412 N N 0.710 119.411 118.700 0.003 0.000 2.503 412 N HA 0.177 4.918 4.740 0.000 0.000 0.210 412 N C 1.765 177.270 175.510 -0.008 0.000 1.077 412 N CA 1.130 54.176 53.050 -0.007 0.000 0.855 412 N CB 0.456 38.931 38.487 -0.021 0.000 1.323 412 N HN 0.557 nan 8.380 nan 0.000 0.452 413 G N -0.092 108.695 108.800 -0.021 0.000 2.683 413 G HA2 0.214 4.174 3.960 0.000 0.000 0.213 413 G HA3 0.214 4.174 3.960 0.000 0.000 0.213 413 G C 0.986 175.893 174.900 0.011 0.000 1.142 413 G CA 0.565 45.652 45.100 -0.022 0.000 0.793 413 G HN 0.396 nan 8.290 nan 0.000 0.534 414 G N -0.429 108.401 108.800 0.051 0.000 2.203 414 G HA2 -0.250 3.710 3.960 0.000 0.000 0.263 414 G HA3 -0.250 3.710 3.960 0.000 0.000 0.263 414 G C 0.382 175.352 174.900 0.116 0.000 1.012 414 G CA 0.379 45.533 45.100 0.090 0.000 0.749 414 G HN 0.739 nan 8.290 nan 0.000 0.512 415 L N 0.262 121.550 121.223 0.109 0.000 2.485 415 L HA 0.514 4.854 4.340 0.000 0.000 0.275 415 L C 0.438 177.467 176.870 0.266 0.000 1.207 415 L CA 0.111 55.014 54.840 0.105 0.000 0.855 415 L CB 1.192 43.228 42.059 -0.039 0.000 1.114 415 L HN 0.121 nan 8.230 nan 0.000 0.485 416 V N 6.139 126.153 119.914 0.167 0.000 2.495 416 V HA 0.359 4.479 4.120 0.000 0.000 0.298 416 V C 0.134 176.289 176.094 0.101 0.000 1.031 416 V CA -0.814 61.579 62.300 0.155 0.000 0.871 416 V CB 1.567 33.439 31.823 0.081 0.000 0.988 416 V HN 0.609 nan 8.190 nan 0.000 0.432 417 L N 4.237 125.514 121.223 0.089 0.000 2.397 417 L HA 0.444 4.784 4.340 0.000 0.000 0.271 417 L C 0.212 177.000 176.870 -0.137 0.000 1.148 417 L CA 0.152 54.943 54.840 -0.081 0.000 0.825 417 L CB 0.742 42.686 42.059 -0.192 0.000 1.117 417 L HN 0.711 nan 8.230 nan 0.000 0.456 418 Q N 2.848 122.529 119.800 -0.199 0.000 2.347 418 Q HA 0.282 4.622 4.340 0.000 0.000 0.265 418 Q C -1.648 174.250 176.000 -0.169 0.000 1.024 418 Q CA -0.703 55.038 55.803 -0.104 0.000 0.731 418 Q CB 1.074 29.793 28.738 -0.033 0.000 1.245 418 Q HN 0.433 nan 8.270 nan 0.000 0.472 419 Y N 2.661 122.971 120.300 0.016 0.000 2.402 419 Y HA 0.299 4.849 4.550 0.000 0.000 0.333 419 Y C 0.577 176.471 175.900 -0.009 0.000 1.076 419 Y CA 0.077 58.179 58.100 0.004 0.000 1.299 419 Y CB 0.854 39.314 38.460 -0.000 0.000 1.197 419 Y HN 0.463 nan 8.280 nan 0.000 0.517 420 V N -0.903 119.060 119.914 0.081 0.000 3.156 420 V HA 0.514 4.634 4.120 0.000 0.000 0.310 420 V C -0.181 175.888 176.094 -0.043 0.000 1.234 420 V CA -0.858 61.450 62.300 0.014 0.000 1.065 420 V CB 2.386 34.199 31.823 -0.017 0.000 1.088 420 V HN 0.556 nan 8.190 nan 0.000 0.451 421 D N 0.630 120.987 120.400 -0.071 0.000 2.366 421 D HA 0.540 5.180 4.640 0.000 0.000 0.205 421 D C 0.527 176.713 176.300 -0.190 0.000 1.022 421 D CA 1.476 55.414 54.000 -0.102 0.000 0.868 421 D CB 1.379 42.142 40.800 -0.062 0.000 0.953 421 D HN 1.033 nan 8.370 nan 0.000 0.514 422 A N 0.159 122.847 122.820 -0.220 0.000 2.577 422 A HA 0.467 4.787 4.320 0.000 0.000 0.297 422 A C -1.229 176.220 177.584 -0.225 0.000 1.060 422 A CA -0.737 51.123 52.037 -0.295 0.000 0.697 422 A CB 0.619 19.538 19.000 -0.135 0.000 1.281 422 A HN -0.136 nan 8.150 nan 0.000 0.402 423 F N 0.714 120.668 119.950 0.006 0.000 2.506 423 F HA 0.452 4.979 4.527 0.000 0.000 0.351 423 F C 1.277 177.081 175.800 0.005 0.000 1.136 423 F CA 0.758 58.759 58.000 0.002 0.000 1.298 423 F CB 1.144 40.156 39.000 0.020 0.000 1.145 423 F HN 0.730 nan 8.300 nan 0.000 0.593 424 A N 1.569 124.506 122.820 0.195 0.000 2.568 424 A HA 0.527 4.847 4.320 0.000 0.000 0.287 424 A C 0.847 178.467 177.584 0.060 0.000 0.967 424 A CA 0.053 52.149 52.037 0.098 0.000 1.004 424 A CB -0.649 18.387 19.000 0.060 0.000 1.233 424 A HN 1.476 nan 8.150 nan 0.000 0.513 425 G N 0.210 109.042 108.800 0.053 0.000 2.248 425 G HA2 -0.168 3.792 3.960 0.000 0.000 0.263 425 G HA3 -0.168 3.792 3.960 0.000 0.000 0.263 425 G C -0.216 174.676 174.900 -0.014 0.000 1.082 425 G CA 0.583 45.679 45.100 -0.007 0.000 0.863 425 G HN 0.845 nan 8.290 nan 0.000 0.495 426 K N 0.162 120.557 120.400 -0.007 0.000 2.545 426 K HA 0.748 5.068 4.320 0.000 0.000 0.252 426 K C 0.413 176.985 176.600 -0.046 0.000 0.948 426 K CA 0.137 56.414 56.287 -0.017 0.000 0.827 426 K CB 1.161 33.663 32.500 0.004 0.000 1.128 426 K HN 1.064 nan 8.250 nan 0.000 0.429 427 A N 2.538 125.322 122.820 -0.058 0.000 2.540 427 A HA 0.450 4.770 4.320 0.000 0.000 0.239 427 A C 1.247 178.770 177.584 -0.101 0.000 1.061 427 A CA 1.142 53.129 52.037 -0.083 0.000 0.758 427 A CB -0.681 18.290 19.000 -0.050 0.000 0.991 427 A HN 1.455 nan 8.150 nan 0.000 0.502 428 G N 1.044 109.727 108.800 -0.195 0.000 2.194 428 G HA2 -0.207 3.753 3.960 0.000 0.000 0.236 428 G HA3 -0.207 3.753 3.960 0.000 0.000 0.236 428 G C 0.228 175.001 174.900 -0.212 0.000 0.987 428 G CA 0.319 45.284 45.100 -0.224 0.000 0.635 428 G HN 0.940 nan 8.290 nan 0.000 0.520 429 Q N 0.636 120.362 119.800 -0.123 0.000 2.337 429 Q HA 0.553 4.894 4.340 0.000 0.000 0.270 429 Q C 0.244 176.267 176.000 0.038 0.000 1.002 429 Q CA 0.708 56.504 55.803 -0.012 0.000 0.888 429 Q CB 1.301 30.137 28.738 0.164 0.000 1.222 429 Q HN 0.873 nan 8.270 nan 0.000 0.400 430 A N 3.477 126.255 122.820 -0.071 0.000 2.435 430 A HA 0.711 5.031 4.320 0.000 0.000 0.304 430 A C -0.914 176.680 177.584 0.016 0.000 1.064 430 A CA -0.709 51.303 52.037 -0.042 0.000 0.727 430 A CB 1.138 19.929 19.000 -0.349 0.000 1.284 430 A HN 0.718 nan 8.150 nan 0.000 0.415 431 I N 2.254 122.858 120.570 0.056 0.000 2.382 431 I HA 0.305 4.475 4.170 0.000 0.000 0.286 431 I C -0.866 175.296 176.117 0.075 0.000 1.002 431 I CA -0.242 61.051 61.300 -0.011 0.000 1.135 431 I CB 1.529 39.388 38.000 -0.235 0.000 1.288 431 I HN 0.475 nan 8.210 nan 0.000 0.448 432 L N 5.975 127.268 121.223 0.117 0.000 2.265 432 L HA 0.457 4.797 4.340 0.000 0.000 0.289 432 L C -0.291 176.598 176.870 0.032 0.000 1.033 432 L CA 0.003 54.888 54.840 0.075 0.000 0.814 432 L CB 1.329 43.416 42.059 0.047 0.000 1.203 432 L HN 0.617 nan 8.230 nan 0.000 0.423 433 S N 2.884 118.600 115.700 0.028 0.000 2.568 433 S HA 0.690 5.160 4.470 0.000 0.000 0.302 433 S C -1.513 173.159 174.600 0.120 0.000 1.082 433 S CA -0.544 57.679 58.200 0.038 0.000 1.009 433 S CB 2.208 65.405 63.200 -0.004 0.000 1.069 433 S HN 0.429 nan 8.310 nan 0.000 0.500 434 Y N 1.360 121.632 120.300 -0.047 0.000 2.376 434 Y HA 0.400 4.950 4.550 0.000 0.000 0.321 434 Y C -2.071 173.809 175.900 -0.034 0.000 1.189 434 Y CA -1.049 57.026 58.100 -0.042 0.000 1.069 434 Y CB 1.443 39.882 38.460 -0.036 0.000 1.292 434 Y HN 0.693 nan 8.280 nan 0.000 0.430 435 D N 4.382 124.345 120.400 -0.728 0.000 2.441 435 D HA 0.580 5.220 4.640 0.000 0.000 0.231 435 D C 0.603 176.394 176.300 -0.849 0.000 1.073 435 D CA 0.370 54.025 54.000 -0.575 0.000 0.850 435 D CB 1.701 42.316 40.800 -0.308 0.000 1.062 435 D HN 0.721 nan 8.370 nan 0.000 0.524 436 A N 3.815 126.258 122.820 -0.628 0.000 1.940 436 A HA -0.055 4.265 4.320 0.000 0.000 0.219 436 A C 2.146 179.606 177.584 -0.208 0.000 1.176 436 A CA 1.887 53.708 52.037 -0.361 0.000 0.631 436 A CB -0.738 18.212 19.000 -0.083 0.000 0.814 436 A HN 0.659 nan 8.150 nan 0.000 0.446 437 A N 0.354 123.066 122.820 -0.179 0.000 1.841 437 A HA -0.140 4.180 4.320 0.000 0.000 0.216 437 A C 2.525 180.046 177.584 -0.104 0.000 1.199 437 A CA 2.701 54.673 52.037 -0.109 0.000 0.621 437 A CB -1.111 17.833 19.000 -0.093 0.000 0.835 437 A HN 1.105 nan 8.150 nan 0.000 0.445 438 S N -1.731 113.887 115.700 -0.137 0.000 2.527 438 S HA 0.037 4.507 4.470 0.000 0.000 0.222 438 S C 1.030 175.573 174.600 -0.096 0.000 0.985 438 S CA 1.259 59.398 58.200 -0.102 0.000 0.921 438 S CB -0.079 63.061 63.200 -0.101 0.000 0.772 438 S HN 0.633 nan 8.310 nan 0.000 0.529 439 K N -0.257 120.040 120.400 -0.171 0.000 3.407 439 K HA -0.199 4.121 4.320 0.000 0.000 0.312 439 K C 0.040 176.658 176.600 0.030 0.000 1.302 439 K CA 0.489 56.743 56.287 -0.054 0.000 0.931 439 K CB -2.014 30.524 32.500 0.065 0.000 1.257 439 K HN 0.694 nan 8.250 nan 0.000 0.454 440 A N 0.348 123.103 122.820 -0.108 0.000 2.310 440 A HA 0.716 5.036 4.320 0.000 0.000 0.299 440 A C 0.518 178.103 177.584 0.002 0.000 1.147 440 A CA 0.316 52.333 52.037 -0.033 0.000 0.818 440 A CB 1.406 20.366 19.000 -0.066 0.000 1.096 440 A HN 0.473 nan 8.150 nan 0.000 0.495 441 G N -0.391 108.460 108.800 0.086 0.000 2.866 441 G HA2 0.785 4.745 3.960 0.000 0.000 0.289 441 G HA3 0.785 4.745 3.960 0.000 0.000 0.289 441 G C -0.680 174.217 174.900 -0.006 0.000 1.396 441 G CA 0.087 45.258 45.100 0.117 0.000 0.848 441 G HN 1.984 nan 8.290 nan 0.000 0.515 442 S N -1.756 113.930 115.700 -0.023 0.000 2.597 442 S HA 0.579 5.049 4.470 0.000 0.000 0.274 442 S C -2.050 172.520 174.600 -0.051 0.000 1.132 442 S CA -0.677 57.482 58.200 -0.068 0.000 0.835 442 S CB 1.591 64.756 63.200 -0.058 0.000 1.092 442 S HN 1.612 nan 8.310 nan 0.000 0.457 443 L N 1.822 123.005 121.223 -0.068 0.000 2.349 443 L HA 0.943 5.283 4.340 0.000 0.000 0.278 443 L C -0.490 176.392 176.870 0.020 0.000 0.996 443 L CA -0.276 54.564 54.840 0.000 0.000 0.825 443 L CB 1.218 43.278 42.059 0.002 0.000 1.243 443 L HN 1.282 nan 8.230 nan 0.000 0.412 444 A N 6.433 129.313 122.820 0.100 0.000 2.356 444 A HA 0.872 5.192 4.320 0.000 0.000 0.310 444 A C -1.050 176.703 177.584 0.281 0.000 1.075 444 A CA -0.445 51.702 52.037 0.183 0.000 0.746 444 A CB 0.831 19.974 19.000 0.239 0.000 1.221 444 A HN 0.676 nan 8.150 nan 0.000 0.443 445 I N 1.365 122.055 120.570 0.200 0.000 2.608 445 I HA 0.312 4.482 4.170 0.000 0.000 0.295 445 I C -1.179 174.764 176.117 -0.291 0.000 1.049 445 I CA -0.618 60.642 61.300 -0.066 0.000 1.063 445 I CB 2.500 40.283 38.000 -0.362 0.000 1.248 445 I HN 0.694 nan 8.210 nan 0.000 0.424 446 D N 4.694 124.772 120.400 -0.536 0.000 2.485 446 D HA 0.296 4.936 4.640 0.000 0.000 0.229 446 D C 0.269 176.339 176.300 -0.383 0.000 1.101 446 D CA -0.263 53.397 54.000 -0.567 0.000 0.906 446 D CB 0.470 40.716 40.800 -0.923 0.000 1.019 446 D HN 0.270 nan 8.370 nan 0.000 0.516 447 F N 1.311 121.158 119.950 -0.171 0.000 2.206 447 F HA -0.088 4.439 4.527 0.000 0.000 0.298 447 F C 2.709 178.419 175.800 -0.149 0.000 1.090 447 F CA 1.091 58.989 58.000 -0.170 0.000 1.323 447 F CB -0.235 38.653 39.000 -0.186 0.000 1.028 447 F HN 0.410 nan 8.300 nan 0.000 0.492 448 S N -0.591 115.134 115.700 0.042 0.000 2.406 448 S HA 0.145 4.615 4.470 0.000 0.000 0.228 448 S C 1.879 176.445 174.600 -0.057 0.000 1.020 448 S CA 0.754 58.945 58.200 -0.014 0.000 0.965 448 S CB -0.546 62.639 63.200 -0.026 0.000 0.798 448 S HN 0.594 nan 8.310 nan 0.000 0.488 449 G N 2.308 111.047 108.800 -0.102 0.000 2.130 449 G HA2 -0.202 3.759 3.960 0.000 0.000 0.216 449 G HA3 -0.202 3.759 3.960 0.000 0.000 0.216 449 G C 0.113 174.943 174.900 -0.116 0.000 0.999 449 G CA 0.306 45.343 45.100 -0.104 0.000 0.686 449 G HN 0.755 nan 8.290 nan 0.000 0.515 450 D N -0.597 119.707 120.400 -0.159 0.000 2.358 450 D HA 0.459 5.099 4.640 0.000 0.000 0.224 450 D C 1.513 177.629 176.300 -0.306 0.000 1.123 450 D CA 0.439 54.307 54.000 -0.219 0.000 0.833 450 D CB -0.251 40.405 40.800 -0.241 0.000 0.946 450 D HN 1.609 nan 8.370 nan 0.000 0.505 451 A N -0.041 122.668 122.820 -0.184 0.000 2.979 451 A HA -0.245 4.075 4.320 0.000 0.000 0.260 451 A C -0.238 177.403 177.584 0.095 0.000 1.282 451 A CA 1.003 53.020 52.037 -0.033 0.000 0.971 451 A CB -2.869 16.156 19.000 0.041 0.000 1.124 451 A HN 0.735 nan 8.150 nan 0.000 0.826 452 H N -0.878 118.040 119.070 -0.253 0.000 2.529 452 H HA 0.569 5.125 4.556 0.000 0.000 0.348 452 H C 0.462 175.546 175.328 -0.408 0.000 1.079 452 H CA -0.631 55.286 56.048 -0.219 0.000 1.198 452 H CB 1.684 31.395 29.762 -0.084 0.000 1.521 452 H HN 0.767 nan 8.280 nan 0.000 0.514 453 A N 2.137 124.798 122.820 -0.264 0.000 2.520 453 A HA 0.007 4.327 4.320 0.000 0.000 0.245 453 A C 0.228 177.794 177.584 -0.029 0.000 1.072 453 A CA -0.064 51.840 52.037 -0.222 0.000 0.761 453 A CB -0.162 18.888 19.000 0.083 0.000 1.004 453 A HN 0.914 nan 8.150 nan 0.000 0.499 454 D N 0.028 120.452 120.400 0.040 0.000 2.500 454 D HA 0.312 4.952 4.640 0.000 0.000 0.217 454 D C -0.465 175.997 176.300 0.271 0.000 1.159 454 D CA -0.064 54.016 54.000 0.133 0.000 0.828 454 D CB 0.222 41.101 40.800 0.132 0.000 1.039 454 D HN 0.289 nan 8.370 nan 0.000 0.512 455 F N 1.094 121.108 119.950 0.107 0.000 2.588 455 F HA 0.678 5.206 4.527 0.000 0.000 0.314 455 F C -1.897 173.942 175.800 0.065 0.000 1.134 455 F CA -0.877 57.203 58.000 0.132 0.000 0.961 455 F CB 1.772 40.984 39.000 0.354 0.000 1.239 455 F HN 0.024 nan 8.300 nan 0.000 0.448 456 A N 6.325 128.789 122.820 -0.593 0.000 2.574 456 A HA 0.838 5.158 4.320 0.000 0.000 0.297 456 A C -1.969 175.270 177.584 -0.575 0.000 1.062 456 A CA -0.565 51.217 52.037 -0.426 0.000 0.686 456 A CB 1.376 20.274 19.000 -0.170 0.000 1.285 456 A HN 0.676 nan 8.150 nan 0.000 0.403 457 I N 2.437 122.760 120.570 -0.412 0.000 2.478 457 I HA 0.267 4.437 4.170 0.000 0.000 0.287 457 I C -0.767 175.211 176.117 -0.231 0.000 1.042 457 I CA -0.832 60.257 61.300 -0.352 0.000 1.067 457 I CB 2.122 39.889 38.000 -0.388 0.000 1.233 457 I HN 0.580 nan 8.210 nan 0.000 0.431 458 N N 6.724 125.310 118.700 -0.191 0.000 2.530 458 N HA 0.640 5.381 4.740 0.000 0.000 0.277 458 N C -0.881 174.519 175.510 -0.182 0.000 1.168 458 N CA -0.139 52.819 53.050 -0.153 0.000 0.979 458 N CB 1.703 40.118 38.487 -0.120 0.000 1.141 458 N HN 0.406 nan 8.380 nan 0.000 0.459 459 L N 1.291 122.423 121.223 -0.150 0.000 2.388 459 L HA 0.521 4.861 4.340 0.000 0.000 0.264 459 L C -0.621 176.202 176.870 -0.078 0.000 0.998 459 L CA -0.786 53.957 54.840 -0.160 0.000 0.817 459 L CB 2.236 44.177 42.059 -0.196 0.000 1.338 459 L HN 0.240 nan 8.230 nan 0.000 0.414 460 I N 2.561 123.083 120.570 -0.081 0.000 2.460 460 I HA 0.662 4.832 4.170 0.000 0.000 0.277 460 I C 0.370 176.510 176.117 0.038 0.000 1.057 460 I CA -0.251 61.030 61.300 -0.032 0.000 1.179 460 I CB 0.411 38.342 38.000 -0.114 0.000 1.329 460 I HN 0.778 nan 8.210 nan 0.000 0.478 461 G N 5.146 114.024 108.800 0.131 0.000 2.627 461 G HA2 -0.068 3.892 3.960 0.000 0.000 0.680 461 G HA3 -0.068 3.892 3.960 0.000 0.000 0.680 461 G C -1.002 173.917 174.900 0.032 0.000 1.341 461 G CA -0.923 44.255 45.100 0.130 0.000 0.835 461 G HN 0.586 nan 8.290 nan 0.000 0.643 462 Q N 0.268 119.895 119.800 -0.289 0.000 2.340 462 Q HA 0.659 4.999 4.340 0.000 0.000 0.249 462 Q C 0.191 176.097 176.000 -0.157 0.000 0.957 462 Q CA 0.153 55.583 55.803 -0.622 0.000 0.882 462 Q CB 1.074 28.987 28.738 -1.374 0.000 1.235 462 Q HN 1.751 nan 8.270 nan 0.000 0.439 463 A N 2.597 125.301 122.820 -0.193 0.000 2.371 463 A HA 0.656 4.976 4.320 0.000 0.000 0.311 463 A C -0.509 177.015 177.584 -0.099 0.000 1.068 463 A CA -0.436 51.546 52.037 -0.092 0.000 0.744 463 A CB 1.664 20.403 19.000 -0.435 0.000 1.239 463 A HN 0.840 nan 8.150 nan 0.000 0.435 464 T N -0.702 113.829 114.554 -0.040 0.000 2.919 464 T HA 0.421 4.771 4.350 0.000 0.000 0.282 464 T C 0.821 175.440 174.700 -0.135 0.000 1.020 464 T CA -0.403 61.636 62.100 -0.102 0.000 0.994 464 T CB 0.978 69.797 68.868 -0.082 0.000 1.180 464 T HN 0.560 nan 8.240 nan 0.000 0.566 465 Q N -0.115 119.520 119.800 -0.274 0.000 2.181 465 Q HA -0.064 4.276 4.340 0.000 0.000 0.205 465 Q C 2.449 178.376 176.000 -0.122 0.000 0.980 465 Q CA 1.519 57.091 55.803 -0.385 0.000 0.862 465 Q CB -0.520 27.847 28.738 -0.619 0.000 0.905 465 Q HN 0.859 nan 8.270 nan 0.000 0.429 466 A N 0.980 123.757 122.820 -0.071 0.000 2.119 466 A HA -0.142 4.178 4.320 0.000 0.000 0.217 466 A C 1.158 178.772 177.584 0.049 0.000 1.153 466 A CA 1.167 53.200 52.037 -0.007 0.000 0.692 466 A CB 0.008 19.002 19.000 -0.010 0.000 0.799 466 A HN 0.209 nan 8.150 nan 0.000 0.458 467 D N -0.467 119.983 120.400 0.084 0.000 2.340 467 D HA 0.156 4.796 4.640 0.000 0.000 0.220 467 D C 0.096 176.526 176.300 0.217 0.000 1.039 467 D CA 0.414 54.533 54.000 0.198 0.000 0.866 467 D CB 0.222 41.234 40.800 0.353 0.000 0.913 467 D HN 0.429 nan 8.370 nan 0.000 0.523 468 I N 1.458 122.113 120.570 0.142 0.000 2.355 468 I HA 0.147 4.317 4.170 0.000 0.000 0.288 468 I C -0.250 175.934 176.117 0.112 0.000 0.999 468 I CA -0.727 60.667 61.300 0.156 0.000 1.163 468 I CB 2.174 40.282 38.000 0.179 0.000 1.316 468 I HN -0.399 nan 8.210 nan 0.000 0.454 469 V N 7.346 127.327 119.914 0.113 0.000 2.439 469 V HA 0.446 4.566 4.120 0.000 0.000 0.282 469 V C 0.303 176.371 176.094 -0.043 0.000 1.039 469 V CA -0.466 61.863 62.300 0.048 0.000 0.913 469 V CB 1.575 33.449 31.823 0.086 0.000 0.983 469 V HN 0.580 nan 8.190 nan 0.000 0.460 470 V N 0.000 119.803 119.914 -0.185 0.000 2.409 470 V HA 0.000 4.120 4.120 0.000 0.000 0.244 470 V CA 0.000 61.995 62.300 -0.508 0.000 1.235 470 V CB 0.000 31.253 31.823 -0.949 0.000 1.184 470 V HN 0.000 nan 8.190 nan 0.000 0.556