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 1pgn_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQADIALIGL AVMGQNLILN MNDHGFVVCA FNRTVSKVDD FLANEAKGTK DATA SEQUENCE VLGAHSLEEM VSKLKKPRRI ILLVKAGQAV DNFIEKLVPL LDIGDIIIDG DATA SEQUENCE GNSEYRDTMR RCRDLKDKGI LFVGSGVSGG EDGARYGPSL MPGGNKEAWP DATA SEQUENCE HIKAIFQGIA AKVGTGEPCC DWVGDDGAGH FVKMVHNGIE YGDMQLICEA DATA SEQUENCE YHLMKDVLGL GHKEMAKAFE EWNKTELDSF LIEITASILK FQDADGKHLL DATA SEQUENCE PKIRDSAGQK GTGKWTAISA LEYGVPVTLI GEAVFARCLS SLKDERIQAS DATA SEQUENCE KKLKGPQNIP FEGDKKSFLE DIRKALYASK IISYAQGFML LRQAATEFGW DATA SEQUENCE TLNYGGIALM WRGGCIIRSV FLGKIKDAFD RNPGLQNLLL DDFFKSAVEN DATA SEQUENCE CQDSWRRAIS TGVQAGIPMP CFTTALSFYD GYRHAMLPAN LIQAQRDYFG DATA SEQUENCE AHTYELLAKP GQFIHTNWTG HGG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.595 177.584 0.018 0.000 1.274 1 A CA 0.000 52.044 52.037 0.012 0.000 0.836 1 A CB 0.000 19.003 19.000 0.006 0.000 0.831 2 Q N 0.710 120.525 119.800 0.025 0.000 2.330 2 Q HA 0.423 4.764 4.340 0.001 0.000 0.254 2 Q C 0.834 176.861 176.000 0.044 0.000 0.777 2 Q CA 0.662 56.483 55.803 0.031 0.000 0.972 2 Q CB 0.992 29.748 28.738 0.030 0.000 1.236 2 Q HN 1.202 nan 8.270 nan 0.000 0.508 3 A N 1.204 124.053 122.820 0.048 0.000 2.409 3 A HA 0.086 4.406 4.320 0.001 0.000 0.262 3 A C 0.119 177.743 177.584 0.067 0.000 1.113 3 A CA -0.085 51.990 52.037 0.064 0.000 0.790 3 A CB 0.241 19.277 19.000 0.061 0.000 1.046 3 A HN 0.250 nan 8.150 nan 0.000 0.496 4 D N 0.878 121.337 120.400 0.097 0.000 2.224 4 D HA 0.060 4.701 4.640 0.001 0.000 0.205 4 D C 0.436 176.780 176.300 0.073 0.000 0.965 4 D CA 1.481 55.544 54.000 0.105 0.000 0.852 4 D CB 0.240 41.161 40.800 0.201 0.000 0.947 4 D HN 0.610 nan 8.370 nan 0.000 0.494 5 I N -1.214 119.399 120.570 0.072 0.000 3.021 5 I HA 0.425 4.595 4.170 0.001 0.000 0.305 5 I C -2.080 174.071 176.117 0.057 0.000 1.434 5 I CA -0.732 60.599 61.300 0.051 0.000 0.969 5 I CB 2.005 40.025 38.000 0.033 0.000 1.328 5 I HN -0.182 nan 8.210 nan 0.000 0.486 6 A N 5.393 128.243 122.820 0.050 0.000 2.384 6 A HA 0.893 5.213 4.320 0.001 0.000 0.312 6 A C -1.922 175.685 177.584 0.038 0.000 1.113 6 A CA -0.614 51.456 52.037 0.055 0.000 0.779 6 A CB 1.821 20.858 19.000 0.061 0.000 1.307 6 A HN 0.725 nan 8.150 nan 0.000 0.436 7 L N 1.491 122.728 121.223 0.024 0.000 2.438 7 L HA 0.682 5.022 4.340 0.001 0.000 0.270 7 L C -1.598 175.242 176.870 -0.049 0.000 0.972 7 L CA -0.450 54.375 54.840 -0.025 0.000 0.831 7 L CB 1.474 43.499 42.059 -0.057 0.000 1.273 7 L HN 0.660 nan 8.230 nan 0.000 0.405 8 I N 4.698 125.210 120.570 -0.097 0.000 2.382 8 I HA 0.712 4.883 4.170 0.001 0.000 0.286 8 I C 0.055 176.015 176.117 -0.261 0.000 1.002 8 I CA -0.613 60.577 61.300 -0.184 0.000 1.135 8 I CB 1.728 39.557 38.000 -0.285 0.000 1.288 8 I HN 0.773 nan 8.210 nan 0.000 0.448 9 G N 6.415 115.047 108.800 -0.280 0.000 2.951 9 G HA2 -0.022 3.939 3.960 0.001 0.000 0.508 9 G HA3 -0.022 3.939 3.960 0.001 0.000 0.508 9 G C -0.820 173.927 174.900 -0.255 0.000 1.203 9 G CA -0.895 44.055 45.100 -0.250 0.000 1.209 9 G HN 0.538 nan 8.290 nan 0.000 0.552 10 L N 1.873 122.932 121.223 -0.272 0.000 3.094 10 L HA 0.514 4.855 4.340 0.001 0.000 0.254 10 L C 1.473 178.205 176.870 -0.231 0.000 1.298 10 L CA 0.008 54.654 54.840 -0.323 0.000 1.050 10 L CB 0.220 42.041 42.059 -0.396 0.000 1.420 10 L HN 0.795 nan 8.230 nan 0.000 0.548 11 A N 0.138 122.854 122.820 -0.173 0.000 2.346 11 A HA 0.262 4.583 4.320 0.001 0.000 0.255 11 A C 1.606 179.117 177.584 -0.122 0.000 1.113 11 A CA 0.123 52.088 52.037 -0.121 0.000 0.798 11 A CB 0.504 19.447 19.000 -0.095 0.000 1.073 11 A HN 0.185 nan 8.150 nan 0.000 0.502 12 V N -1.503 118.362 119.914 -0.082 0.000 2.324 12 V HA -0.318 3.802 4.120 0.001 0.000 0.250 12 V C 2.263 178.309 176.094 -0.080 0.000 1.060 12 V CA 2.684 64.945 62.300 -0.065 0.000 1.042 12 V CB -1.477 30.323 31.823 -0.038 0.000 0.650 12 V HN 0.861 nan 8.190 nan 0.000 0.450 13 M N 2.257 121.807 119.600 -0.084 0.000 2.088 13 M HA -0.099 4.381 4.480 0.001 0.000 0.256 13 M C 2.105 178.336 176.300 -0.115 0.000 1.071 13 M CA 2.573 57.818 55.300 -0.091 0.000 1.097 13 M CB -1.159 31.391 32.600 -0.084 0.000 1.315 13 M HN 0.427 nan 8.290 nan 0.000 0.406 14 G N -1.500 107.213 108.800 -0.144 0.000 2.402 14 G HA2 -0.262 3.699 3.960 0.001 0.000 0.216 14 G HA3 -0.262 3.699 3.960 0.001 0.000 0.216 14 G C 1.370 176.144 174.900 -0.209 0.000 1.162 14 G CA 0.941 45.934 45.100 -0.178 0.000 0.777 14 G HN 0.588 nan 8.290 nan 0.000 0.539 15 Q N 0.303 119.952 119.800 -0.251 0.000 2.030 15 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 15 Q C 2.427 178.408 176.000 -0.032 0.000 0.986 15 Q CA 1.984 57.623 55.803 -0.273 0.000 0.843 15 Q CB -0.240 28.373 28.738 -0.208 0.000 0.904 15 Q HN 0.638 nan 8.270 nan 0.000 0.420 16 N N -0.548 118.124 118.700 -0.047 0.000 2.188 16 N HA -0.145 4.595 4.740 0.001 0.000 0.184 16 N C 1.561 177.029 175.510 -0.070 0.000 1.018 16 N CA 0.769 53.788 53.050 -0.053 0.000 0.858 16 N CB -0.032 38.400 38.487 -0.091 0.000 0.989 16 N HN 0.122 nan 8.380 nan 0.000 0.426 17 L N 1.099 122.271 121.223 -0.084 0.000 2.046 17 L HA -0.059 4.281 4.340 0.001 0.000 0.208 17 L C 1.807 178.653 176.870 -0.040 0.000 1.077 17 L CA 1.317 56.103 54.840 -0.090 0.000 0.747 17 L CB -0.316 41.671 42.059 -0.120 0.000 0.896 17 L HN 0.223 nan 8.230 nan 0.000 0.432 18 I N -1.655 118.906 120.570 -0.015 0.000 2.163 18 I HA -0.331 3.839 4.170 0.001 0.000 0.243 18 I C 2.220 178.407 176.117 0.118 0.000 1.085 18 I CA 0.862 62.200 61.300 0.062 0.000 1.347 18 I CB -0.347 37.715 38.000 0.103 0.000 1.044 18 I HN 0.215 nan 8.210 nan 0.000 0.408 19 L N 0.839 122.136 121.223 0.125 0.000 2.012 19 L HA -0.259 4.082 4.340 0.001 0.000 0.210 19 L C 2.337 179.236 176.870 0.049 0.000 1.073 19 L CA 1.800 56.690 54.840 0.084 0.000 0.748 19 L CB -1.540 40.552 42.059 0.054 0.000 0.891 19 L HN 0.334 nan 8.230 nan 0.000 0.431 20 N N -0.232 118.477 118.700 0.015 0.000 2.094 20 N HA -0.233 4.508 4.740 0.001 0.000 0.191 20 N C 1.846 177.502 175.510 0.243 0.000 1.023 20 N CA 1.807 54.895 53.050 0.063 0.000 0.857 20 N CB -0.097 38.387 38.487 -0.005 0.000 1.013 20 N HN 0.329 nan 8.380 nan 0.000 0.426 21 M N -0.077 119.633 119.600 0.184 0.000 2.086 21 M HA -0.139 4.342 4.480 0.001 0.000 0.261 21 M C 2.049 178.581 176.300 0.387 0.000 1.067 21 M CA 1.662 57.138 55.300 0.293 0.000 1.116 21 M CB -0.510 32.176 32.600 0.144 0.000 1.348 21 M HN 0.198 nan 8.290 nan 0.000 0.407 22 N N 0.753 119.585 118.700 0.220 0.000 2.061 22 N HA -0.223 4.517 4.740 0.001 0.000 0.193 22 N C 1.218 176.781 175.510 0.089 0.000 1.030 22 N CA 1.908 55.045 53.050 0.144 0.000 0.856 22 N CB -0.089 38.451 38.487 0.089 0.000 1.023 22 N HN 0.251 nan 8.380 nan 0.000 0.424 23 D N -1.128 119.303 120.400 0.053 0.000 2.218 23 D HA -0.132 4.509 4.640 0.001 0.000 0.204 23 D C 0.894 177.114 176.300 -0.134 0.000 0.976 23 D CA 1.090 55.051 54.000 -0.066 0.000 0.853 23 D CB -0.302 40.418 40.800 -0.133 0.000 0.939 23 D HN 0.620 nan 8.370 nan 0.000 0.481 24 H N -0.809 118.308 119.070 0.078 0.000 2.539 24 H HA 0.303 4.860 4.556 0.001 0.000 0.269 24 H C 0.899 176.049 175.328 -0.297 0.000 0.980 24 H CA 0.453 56.520 56.048 0.033 0.000 1.152 24 H CB 0.528 30.468 29.762 0.296 0.000 1.407 24 H HN 0.104 nan 8.280 nan 0.000 0.564 25 G N 0.638 109.339 108.800 -0.165 0.000 2.470 25 G HA2 -0.235 3.726 3.960 0.001 0.000 0.286 25 G HA3 -0.235 3.726 3.960 0.001 0.000 0.286 25 G C -0.797 173.712 174.900 -0.652 0.000 1.115 25 G CA -0.413 44.492 45.100 -0.325 0.000 1.122 25 G HN 0.202 nan 8.290 nan 0.000 0.522 26 F N -0.847 119.139 119.950 0.059 0.000 2.557 26 F HA 0.538 5.065 4.527 0.001 0.000 0.316 26 F C 0.348 176.176 175.800 0.046 0.000 1.141 26 F CA -1.179 56.852 58.000 0.051 0.000 0.922 26 F CB 2.276 41.311 39.000 0.059 0.000 1.194 26 F HN 0.080 nan 8.300 nan 0.000 0.443 27 V N 4.857 124.883 119.914 0.187 0.000 2.408 27 V HA 0.382 4.503 4.120 0.001 0.000 0.267 27 V C -0.095 176.086 176.094 0.146 0.000 1.047 27 V CA -0.472 61.906 62.300 0.129 0.000 0.937 27 V CB 0.999 32.871 31.823 0.082 0.000 0.999 27 V HN 0.528 nan 8.190 nan 0.000 0.472 28 V N 4.505 124.501 119.914 0.137 0.000 2.732 28 V HA 0.448 4.569 4.120 0.001 0.000 0.310 28 V C 0.052 176.211 176.094 0.109 0.000 1.053 28 V CA -0.656 61.716 62.300 0.120 0.000 0.957 28 V CB 1.875 33.770 31.823 0.121 0.000 1.018 28 V HN 0.975 nan 8.190 nan 0.000 0.452 29 C N 3.873 123.231 119.300 0.097 0.000 2.319 29 C HA 0.882 5.343 4.460 0.001 0.000 0.323 29 C C 0.452 175.505 174.990 0.106 0.000 1.277 29 C CA -0.281 58.797 59.018 0.099 0.000 1.517 29 C CB -0.278 27.512 27.740 0.082 0.000 2.206 29 C HN 1.142 nan 8.230 nan 0.000 0.486 30 A N 4.803 127.694 122.820 0.118 0.000 2.269 30 A HA 0.934 5.254 4.320 0.001 0.000 0.319 30 A C -1.040 176.624 177.584 0.134 0.000 1.110 30 A CA -0.364 51.719 52.037 0.077 0.000 0.847 30 A CB 0.811 19.830 19.000 0.030 0.000 1.161 30 A HN 1.230 nan 8.150 nan 0.000 0.497 31 F N 0.084 119.982 119.950 -0.087 0.000 2.686 31 F HA 0.644 5.172 4.527 0.001 0.000 0.311 31 F C -0.930 174.800 175.800 -0.116 0.000 1.128 31 F CA -0.813 57.139 58.000 -0.079 0.000 0.946 31 F CB 1.910 40.892 39.000 -0.030 0.000 1.336 31 F HN 0.756 nan 8.300 nan 0.000 0.457 32 N N 0.655 118.516 118.700 -1.399 0.000 2.745 32 N HA 0.329 5.069 4.740 0.001 0.000 0.256 32 N C -0.312 174.647 175.510 -0.917 0.000 1.268 32 N CA -0.484 52.066 53.050 -0.833 0.000 0.887 32 N CB 1.460 39.665 38.487 -0.469 0.000 1.575 32 N HN 0.549 nan 8.380 nan 0.000 0.496 33 R N -0.182 120.109 120.500 -0.349 0.000 2.119 33 R HA 0.209 4.549 4.340 0.001 0.000 0.222 33 R C -0.142 176.117 176.300 -0.069 0.000 1.088 33 R CA 1.135 57.196 56.100 -0.065 0.000 0.984 33 R CB -0.740 29.682 30.300 0.203 0.000 0.884 33 R HN 0.391 nan 8.270 nan 0.000 0.447 34 T N 1.299 115.795 114.554 -0.097 0.000 2.863 34 T HA 0.140 4.491 4.350 0.001 0.000 0.299 34 T C 0.869 175.506 174.700 -0.104 0.000 0.973 34 T CA -0.209 61.857 62.100 -0.057 0.000 0.994 34 T CB 1.440 70.282 68.868 -0.044 0.000 0.961 34 T HN 0.072 nan 8.240 nan 0.000 0.552 35 V N 3.916 123.793 119.914 -0.061 0.000 2.759 35 V HA -0.152 3.969 4.120 0.001 0.000 0.256 35 V C 2.350 178.436 176.094 -0.012 0.000 1.080 35 V CA 2.255 64.516 62.300 -0.064 0.000 1.101 35 V CB -0.587 31.299 31.823 0.105 0.000 0.698 35 V HN 0.986 nan 8.190 nan 0.000 0.477 36 S N -0.484 115.229 115.700 0.022 0.000 2.383 36 S HA -0.228 4.242 4.470 0.001 0.000 0.229 36 S C 1.964 176.577 174.600 0.023 0.000 1.030 36 S CA 1.078 59.305 58.200 0.046 0.000 1.002 36 S CB -0.494 62.728 63.200 0.037 0.000 0.829 36 S HN 0.506 nan 8.310 nan 0.000 0.467 37 K N 1.165 121.552 120.400 -0.021 0.000 2.281 37 K HA 0.065 4.386 4.320 0.001 0.000 0.203 37 K C 2.061 178.658 176.600 -0.005 0.000 1.046 37 K CA 0.826 57.098 56.287 -0.024 0.000 0.938 37 K CB -0.859 31.593 32.500 -0.079 0.000 0.737 37 K HN 0.432 nan 8.250 nan 0.000 0.458 38 V N 1.615 121.499 119.914 -0.050 0.000 2.427 38 V HA -0.212 3.908 4.120 0.001 0.000 0.248 38 V C 1.811 177.946 176.094 0.069 0.000 1.051 38 V CA 1.720 64.002 62.300 -0.029 0.000 1.048 38 V CB -0.288 31.420 31.823 -0.191 0.000 0.666 38 V HN 0.257 nan 8.190 nan 0.000 0.456 39 D N -0.077 120.363 120.400 0.067 0.000 2.091 39 D HA -0.161 4.479 4.640 0.001 0.000 0.199 39 D C 1.935 178.287 176.300 0.087 0.000 0.980 39 D CA 1.497 55.558 54.000 0.101 0.000 0.831 39 D CB -0.336 40.544 40.800 0.132 0.000 0.987 39 D HN 0.374 nan 8.370 nan 0.000 0.460 40 D N 0.499 120.948 120.400 0.083 0.000 2.154 40 D HA -0.232 4.408 4.640 0.001 0.000 0.190 40 D C 1.930 178.298 176.300 0.113 0.000 1.003 40 D CA 0.926 54.973 54.000 0.078 0.000 0.849 40 D CB -0.456 40.383 40.800 0.065 0.000 0.942 40 D HN 0.128 nan 8.370 nan 0.000 0.446 41 F N 0.540 120.477 119.950 -0.022 0.000 2.146 41 F HA -0.016 4.512 4.527 0.001 0.000 0.298 41 F C 2.233 178.025 175.800 -0.013 0.000 1.096 41 F CA 0.989 58.975 58.000 -0.024 0.000 1.275 41 F CB -0.398 38.579 39.000 -0.039 0.000 1.008 41 F HN 0.001 nan 8.300 nan 0.000 0.480 42 L N -0.339 120.855 121.223 -0.050 0.000 2.201 42 L HA -0.138 4.202 4.340 0.001 0.000 0.212 42 L C 2.652 179.445 176.870 -0.127 0.000 1.105 42 L CA 0.993 55.745 54.840 -0.147 0.000 0.775 42 L CB -0.895 41.160 42.059 -0.006 0.000 0.913 42 L HN 0.270 nan 8.230 nan 0.000 0.440 43 A N -0.243 122.539 122.820 -0.064 0.000 1.855 43 A HA -0.079 4.242 4.320 0.001 0.000 0.213 43 A C 1.910 179.452 177.584 -0.069 0.000 1.195 43 A CA 1.114 53.124 52.037 -0.044 0.000 0.610 43 A CB -0.233 18.764 19.000 -0.005 0.000 0.837 43 A HN 0.358 nan 8.150 nan 0.000 0.444 44 N N -0.357 118.300 118.700 -0.072 0.000 2.129 44 N HA 0.001 4.741 4.740 0.001 0.000 0.224 44 N C 1.517 176.952 175.510 -0.125 0.000 1.039 44 N CA 1.052 54.063 53.050 -0.065 0.000 1.101 44 N CB -0.880 37.599 38.487 -0.013 0.000 1.401 44 N HN 0.326 nan 8.380 nan 0.000 0.582 45 E N 1.245 121.370 120.200 -0.124 0.000 2.147 45 E HA -0.102 4.249 4.350 0.001 0.000 0.199 45 E C 1.342 177.741 176.600 -0.334 0.000 1.005 45 E CA 1.613 57.922 56.400 -0.152 0.000 0.810 45 E CB -0.214 29.491 29.700 0.007 0.000 0.736 45 E HN 0.475 nan 8.360 nan 0.000 0.460 46 A N 0.280 122.700 122.820 -0.667 0.000 2.275 46 A HA 0.081 4.402 4.320 0.001 0.000 0.212 46 A C 0.823 178.210 177.584 -0.328 0.000 1.201 46 A CA -0.248 51.398 52.037 -0.651 0.000 0.843 46 A CB -0.120 18.155 19.000 -1.209 0.000 0.873 46 A HN 0.021 nan 8.150 nan 0.000 0.492 47 K N -0.169 120.094 120.400 -0.229 0.000 2.448 47 K HA 0.325 4.645 4.320 0.001 0.000 0.278 47 K C 1.208 177.747 176.600 -0.100 0.000 1.009 47 K CA 1.153 57.359 56.287 -0.134 0.000 0.995 47 K CB -0.004 32.441 32.500 -0.093 0.000 0.917 47 K HN 0.649 nan 8.250 nan 0.000 0.481 48 G N 1.942 110.698 108.800 -0.074 0.000 2.213 48 G HA2 -0.299 3.661 3.960 0.001 0.000 0.236 48 G HA3 -0.299 3.661 3.960 0.001 0.000 0.236 48 G C 0.309 175.180 174.900 -0.048 0.000 0.991 48 G CA 0.361 45.429 45.100 -0.052 0.000 0.629 48 G HN 0.868 nan 8.290 nan 0.000 0.517 49 T N -1.674 112.842 114.554 -0.064 0.000 2.793 49 T HA 0.633 4.984 4.350 0.001 0.000 0.299 49 T C 1.093 175.779 174.700 -0.024 0.000 1.038 49 T CA 0.671 62.744 62.100 -0.045 0.000 0.948 49 T CB 1.029 69.862 68.868 -0.058 0.000 1.231 49 T HN 0.057 nan 8.240 nan 0.000 0.538 50 K N -0.445 119.952 120.400 -0.005 0.000 2.374 50 K HA 0.372 4.693 4.320 0.001 0.000 0.196 50 K C 0.330 176.948 176.600 0.030 0.000 1.023 50 K CA -0.182 56.112 56.287 0.011 0.000 1.103 50 K CB 0.112 32.622 32.500 0.015 0.000 0.848 50 K HN 0.411 nan 8.250 nan 0.000 0.528 51 V N 2.189 122.123 119.914 0.033 0.000 2.637 51 V HA 0.183 4.304 4.120 0.001 0.000 0.296 51 V C -0.345 175.789 176.094 0.065 0.000 1.046 51 V CA -0.468 61.875 62.300 0.072 0.000 1.066 51 V CB 0.266 32.161 31.823 0.120 0.000 0.968 51 V HN 0.125 nan 8.190 nan 0.000 0.483 52 L N 6.356 127.629 121.223 0.084 0.000 2.399 52 L HA 0.782 5.123 4.340 0.001 0.000 0.265 52 L C 0.704 177.635 176.870 0.102 0.000 1.089 52 L CA -0.198 54.691 54.840 0.081 0.000 0.802 52 L CB 1.169 43.273 42.059 0.075 0.000 1.180 52 L HN 0.730 nan 8.230 nan 0.000 0.454 53 G N -0.102 108.756 108.800 0.096 0.000 2.481 53 G HA2 0.756 4.717 3.960 0.001 0.000 0.315 53 G HA3 0.756 4.717 3.960 0.001 0.000 0.315 53 G C -1.598 173.350 174.900 0.079 0.000 1.231 53 G CA -0.493 44.656 45.100 0.082 0.000 0.968 53 G HN 0.782 nan 8.290 nan 0.000 0.482 54 A N 0.312 123.172 122.820 0.066 0.000 2.435 54 A HA 0.707 5.027 4.320 0.001 0.000 0.304 54 A C -0.414 177.241 177.584 0.118 0.000 1.064 54 A CA -0.603 51.512 52.037 0.129 0.000 0.727 54 A CB 1.431 20.515 19.000 0.139 0.000 1.284 54 A HN 0.818 nan 8.150 nan 0.000 0.415 55 H N -0.069 119.132 119.070 0.218 0.000 2.874 55 H HA 0.402 4.958 4.556 0.001 0.000 0.264 55 H C 0.089 175.576 175.328 0.264 0.000 1.007 55 H CA 0.894 57.102 56.048 0.268 0.000 1.207 55 H CB 0.934 30.786 29.762 0.151 0.000 1.487 55 H HN 0.468 nan 8.280 nan 0.000 0.505 56 S N -0.473 115.310 115.700 0.138 0.000 2.549 56 S HA 0.241 4.712 4.470 0.001 0.000 0.280 56 S C 0.805 175.139 174.600 -0.444 0.000 1.109 56 S CA -0.653 57.499 58.200 -0.079 0.000 0.905 56 S CB 1.644 64.841 63.200 -0.005 0.000 1.081 56 S HN 0.138 nan 8.310 nan 0.000 0.477 57 L N 1.854 122.712 121.223 -0.608 0.000 2.012 57 L HA -0.187 4.154 4.340 0.001 0.000 0.210 57 L C 2.000 178.713 176.870 -0.261 0.000 1.073 57 L CA 1.631 56.137 54.840 -0.558 0.000 0.748 57 L CB -0.376 41.510 42.059 -0.289 0.000 0.891 57 L HN 0.678 nan 8.230 nan 0.000 0.431 58 E N -0.436 119.670 120.200 -0.156 0.000 2.204 58 E HA -0.249 4.101 4.350 0.001 0.000 0.195 58 E C 1.945 178.505 176.600 -0.066 0.000 0.990 58 E CA 0.981 57.331 56.400 -0.083 0.000 0.821 58 E CB -0.122 29.548 29.700 -0.051 0.000 0.750 58 E HN 0.453 nan 8.360 nan 0.000 0.477 59 E N 0.393 120.549 120.200 -0.073 0.000 2.046 59 E HA -0.181 4.169 4.350 0.001 0.000 0.190 59 E C 2.021 178.601 176.600 -0.034 0.000 0.982 59 E CA 0.940 57.324 56.400 -0.027 0.000 0.800 59 E CB -0.073 29.637 29.700 0.018 0.000 0.756 59 E HN 0.279 nan 8.360 nan 0.000 0.449 60 M N 0.508 120.053 119.600 -0.092 0.000 2.108 60 M HA -0.184 4.296 4.480 0.001 0.000 0.261 60 M C 2.072 178.351 176.300 -0.035 0.000 1.066 60 M CA 1.448 56.709 55.300 -0.065 0.000 1.107 60 M CB -0.015 32.494 32.600 -0.152 0.000 1.356 60 M HN 0.075 nan 8.290 nan 0.000 0.406 61 V N 0.790 120.671 119.914 -0.055 0.000 2.237 61 V HA -0.288 3.832 4.120 0.001 0.000 0.245 61 V C 2.463 178.548 176.094 -0.015 0.000 1.046 61 V CA 2.312 64.594 62.300 -0.029 0.000 1.007 61 V CB -1.171 30.630 31.823 -0.037 0.000 0.638 61 V HN 0.705 nan 8.190 nan 0.000 0.445 62 S N -0.120 115.571 115.700 -0.015 0.000 2.419 62 S HA -0.216 4.254 4.470 0.001 0.000 0.235 62 S C 1.813 176.415 174.600 0.004 0.000 1.019 62 S CA 1.050 59.247 58.200 -0.005 0.000 0.982 62 S CB -0.434 62.765 63.200 -0.002 0.000 0.789 62 S HN 0.494 nan 8.310 nan 0.000 0.490 63 K N 1.227 121.632 120.400 0.009 0.000 2.209 63 K HA 0.138 4.458 4.320 0.001 0.000 0.204 63 K C 0.761 177.373 176.600 0.020 0.000 1.048 63 K CA 0.290 56.590 56.287 0.021 0.000 0.940 63 K CB -0.721 31.798 32.500 0.032 0.000 0.729 63 K HN 0.455 nan 8.250 nan 0.000 0.451 64 L N 2.337 123.569 121.223 0.014 0.000 2.416 64 L HA 0.029 4.369 4.340 0.001 0.000 0.272 64 L C 0.609 177.482 176.870 0.006 0.000 1.161 64 L CA -0.011 54.838 54.840 0.014 0.000 0.845 64 L CB 0.402 42.466 42.059 0.009 0.000 1.119 64 L HN -0.029 nan 8.230 nan 0.000 0.464 65 K N 3.115 123.520 120.400 0.009 0.000 2.202 65 K HA 0.274 4.594 4.320 0.001 0.000 0.264 65 K C -0.491 176.096 176.600 -0.023 0.000 1.010 65 K CA -0.545 55.741 56.287 -0.001 0.000 0.940 65 K CB 0.815 33.321 32.500 0.010 0.000 0.983 65 K HN 0.414 nan 8.250 nan 0.000 0.475 66 K N 2.150 122.526 120.400 -0.039 0.000 2.130 66 K HA 0.264 4.585 4.320 0.001 0.000 0.268 66 K C -2.335 174.189 176.600 -0.127 0.000 0.983 66 K CA -1.823 54.421 56.287 -0.072 0.000 0.893 66 K CB 0.776 33.240 32.500 -0.060 0.000 1.066 66 K HN 0.345 nan 8.250 nan 0.000 0.450 67 P HA 0.083 nan 4.420 nan 0.000 0.268 67 P C -0.900 176.325 177.300 -0.124 0.000 1.204 67 P CA -0.168 62.799 63.100 -0.222 0.000 0.768 67 P CB 0.548 31.998 31.700 -0.416 0.000 0.842 68 R N 3.430 123.888 120.500 -0.069 0.000 2.491 68 R HA 0.284 4.624 4.340 0.001 0.000 0.283 68 R C 0.457 176.747 176.300 -0.016 0.000 1.072 68 R CA -0.165 55.918 56.100 -0.029 0.000 1.048 68 R CB 0.508 30.802 30.300 -0.011 0.000 0.983 68 R HN 0.530 nan 8.270 nan 0.000 0.450 69 R N 3.022 123.522 120.500 0.001 0.000 2.514 69 R HA 0.424 4.765 4.340 0.001 0.000 0.296 69 R C -0.884 175.438 176.300 0.037 0.000 1.012 69 R CA -0.884 55.227 56.100 0.018 0.000 0.897 69 R CB 0.905 31.210 30.300 0.008 0.000 1.184 69 R HN 0.583 nan 8.270 nan 0.000 0.440 70 I N -0.076 120.524 120.570 0.051 0.000 2.689 70 I HA 0.596 4.766 4.170 0.001 0.000 0.299 70 I C -1.067 175.086 176.117 0.059 0.000 1.059 70 I CA -1.116 60.219 61.300 0.057 0.000 1.055 70 I CB 1.942 39.984 38.000 0.069 0.000 1.243 70 I HN 0.627 nan 8.210 nan 0.000 0.425 71 I N 5.938 126.535 120.570 0.044 0.000 2.412 71 I HA 0.415 4.586 4.170 0.001 0.000 0.296 71 I C -0.737 175.376 176.117 -0.006 0.000 0.987 71 I CA -0.777 60.543 61.300 0.034 0.000 1.180 71 I CB 1.720 39.739 38.000 0.032 0.000 1.340 71 I HN 0.445 nan 8.210 nan 0.000 0.455 72 L N 7.077 128.297 121.223 -0.004 0.000 2.287 72 L HA 0.485 4.825 4.340 0.001 0.000 0.287 72 L C -0.529 176.314 176.870 -0.045 0.000 1.022 72 L CA -0.469 54.342 54.840 -0.048 0.000 0.814 72 L CB 1.448 43.522 42.059 0.025 0.000 1.217 72 L HN 0.491 nan 8.230 nan 0.000 0.420 73 L N 5.237 126.404 121.223 -0.094 0.000 2.529 73 L HA 0.467 4.807 4.340 0.001 0.000 0.246 73 L C -1.006 175.803 176.870 -0.101 0.000 1.394 73 L CA -0.186 54.605 54.840 -0.082 0.000 0.906 73 L CB 1.461 43.459 42.059 -0.101 0.000 1.170 73 L HN 0.325 nan 8.230 nan 0.000 0.501 74 V N 0.822 120.695 119.914 -0.068 0.000 2.823 74 V HA 0.438 4.558 4.120 0.001 0.000 0.312 74 V C -0.128 175.961 176.094 -0.008 0.000 1.072 74 V CA -0.984 61.283 62.300 -0.055 0.000 0.937 74 V CB 2.718 34.509 31.823 -0.054 0.000 1.013 74 V HN 0.293 nan 8.190 nan 0.000 0.430 75 K N 2.892 123.293 120.400 0.002 0.000 2.270 75 K HA 0.645 4.966 4.320 0.001 0.000 0.276 75 K C 0.307 176.933 176.600 0.043 0.000 1.023 75 K CA 0.329 56.628 56.287 0.019 0.000 0.955 75 K CB 0.966 33.476 32.500 0.016 0.000 0.975 75 K HN 0.940 nan 8.250 nan 0.000 0.471 76 A N 2.658 125.509 122.820 0.051 0.000 2.644 76 A HA 0.375 4.696 4.320 0.001 0.000 0.230 76 A C 0.978 178.598 177.584 0.060 0.000 1.080 76 A CA 1.142 53.216 52.037 0.062 0.000 0.773 76 A CB -1.127 17.922 19.000 0.082 0.000 1.007 76 A HN 1.246 nan 8.150 nan 0.000 0.512 77 G N -0.330 108.499 108.800 0.049 0.000 2.466 77 G HA2 -0.073 3.887 3.960 0.001 0.000 0.218 77 G HA3 -0.073 3.887 3.960 0.001 0.000 0.218 77 G C 0.647 175.574 174.900 0.046 0.000 1.237 77 G CA 1.086 46.207 45.100 0.034 0.000 0.954 77 G HN 1.419 nan 8.290 nan 0.000 0.580 78 Q N 0.036 119.859 119.800 0.037 0.000 2.165 78 Q HA -0.177 4.164 4.340 0.001 0.000 0.215 78 Q C 3.032 179.070 176.000 0.063 0.000 1.010 78 Q CA 4.337 60.163 55.803 0.038 0.000 0.896 78 Q CB -1.086 27.670 28.738 0.030 0.000 0.956 78 Q HN 1.785 nan 8.270 nan 0.000 0.413 79 A N -0.910 121.961 122.820 0.086 0.000 1.892 79 A HA -0.204 4.117 4.320 0.001 0.000 0.218 79 A C 2.315 180.021 177.584 0.204 0.000 1.188 79 A CA 2.056 54.177 52.037 0.140 0.000 0.631 79 A CB -0.962 18.117 19.000 0.132 0.000 0.822 79 A HN 0.296 nan 8.150 nan 0.000 0.447 80 V N 0.632 120.647 119.914 0.168 0.000 2.427 80 V HA -0.233 3.888 4.120 0.001 0.000 0.248 80 V C 2.137 178.341 176.094 0.182 0.000 1.051 80 V CA 2.156 64.578 62.300 0.204 0.000 1.048 80 V CB -0.817 31.110 31.823 0.175 0.000 0.666 80 V HN 0.538 nan 8.190 nan 0.000 0.456 81 D N 0.419 120.881 120.400 0.104 0.000 2.097 81 D HA -0.162 4.478 4.640 0.001 0.000 0.195 81 D C 1.964 178.287 176.300 0.038 0.000 0.989 81 D CA 1.689 55.718 54.000 0.048 0.000 0.827 81 D CB -0.417 40.392 40.800 0.014 0.000 0.966 81 D HN 0.565 nan 8.370 nan 0.000 0.456 82 N N -0.055 118.666 118.700 0.036 0.000 2.104 82 N HA -0.140 4.601 4.740 0.001 0.000 0.190 82 N C 1.753 177.182 175.510 -0.134 0.000 1.024 82 N CA 0.665 53.692 53.050 -0.039 0.000 0.853 82 N CB -0.241 38.226 38.487 -0.032 0.000 1.008 82 N HN 0.020 nan 8.380 nan 0.000 0.424 83 F N 1.271 121.254 119.950 0.056 0.000 2.126 83 F HA -0.078 4.450 4.527 0.000 0.000 0.299 83 F C 1.976 177.813 175.800 0.062 0.000 1.096 83 F CA 1.036 59.080 58.000 0.074 0.000 1.255 83 F CB -0.201 38.856 39.000 0.095 0.000 0.997 83 F HN 0.021 nan 8.300 nan 0.000 0.479 84 I N -0.511 120.159 120.570 0.166 0.000 2.226 84 I HA -0.287 3.883 4.170 0.001 0.000 0.245 84 I C 2.268 178.399 176.117 0.022 0.000 1.100 84 I CA 1.397 62.761 61.300 0.107 0.000 1.374 84 I CB -0.446 37.588 38.000 0.056 0.000 1.057 84 I HN 0.111 nan 8.210 nan 0.000 0.413 85 E N 0.997 121.186 120.200 -0.019 0.000 2.038 85 E HA -0.247 4.104 4.350 0.001 0.000 0.195 85 E C 2.190 178.758 176.600 -0.053 0.000 1.000 85 E CA 1.499 57.873 56.400 -0.043 0.000 0.803 85 E CB 0.071 29.738 29.700 -0.056 0.000 0.750 85 E HN 0.345 nan 8.360 nan 0.000 0.448 86 K N 0.048 120.391 120.400 -0.096 0.000 2.057 86 K HA -0.112 4.208 4.320 0.001 0.000 0.206 86 K C 2.184 178.755 176.600 -0.048 0.000 1.050 86 K CA 0.966 57.190 56.287 -0.104 0.000 0.935 86 K CB -0.140 32.234 32.500 -0.210 0.000 0.715 86 K HN 0.128 nan 8.250 nan 0.000 0.439 87 L N 0.795 122.017 121.223 -0.001 0.000 2.191 87 L HA -0.176 4.165 4.340 0.001 0.000 0.212 87 L C 2.263 179.146 176.870 0.022 0.000 1.103 87 L CA 0.637 55.500 54.840 0.039 0.000 0.769 87 L CB -0.412 41.714 42.059 0.111 0.000 0.908 87 L HN -0.019 nan 8.230 nan 0.000 0.438 88 V N 0.023 119.943 119.914 0.011 0.000 2.261 88 V HA -0.175 3.945 4.120 0.001 0.000 0.246 88 V C 0.048 176.140 176.094 -0.003 0.000 1.047 88 V CA 1.906 64.209 62.300 0.005 0.000 1.015 88 V CB -1.670 30.149 31.823 -0.006 0.000 0.642 88 V HN 0.333 nan 8.190 nan 0.000 0.446 89 P HA -0.165 nan 4.420 nan 0.000 0.218 89 P C 1.497 178.790 177.300 -0.012 0.000 1.152 89 P CA 1.385 64.477 63.100 -0.014 0.000 0.857 89 P CB -0.049 31.639 31.700 -0.021 0.000 0.787 90 L N -2.641 118.576 121.223 -0.011 0.000 2.567 90 L HA 0.151 4.491 4.340 0.001 0.000 0.225 90 L C 1.062 177.929 176.870 -0.005 0.000 1.119 90 L CA 0.544 55.377 54.840 -0.012 0.000 0.871 90 L CB -1.124 40.923 42.059 -0.019 0.000 1.036 90 L HN 0.037 nan 8.230 nan 0.000 0.459 91 L N -0.739 120.485 121.223 0.002 0.000 2.334 91 L HA 0.333 4.673 4.340 0.001 0.000 0.272 91 L C -0.087 176.784 176.870 0.002 0.000 1.020 91 L CA -0.593 54.250 54.840 0.006 0.000 0.812 91 L CB 1.892 43.962 42.059 0.019 0.000 1.264 91 L HN -0.096 nan 8.230 nan 0.000 0.439 92 D N 0.099 120.499 120.400 -0.001 0.000 2.466 92 D HA 0.438 5.079 4.640 0.001 0.000 0.262 92 D C -0.383 175.917 176.300 -0.000 0.000 1.177 92 D CA -0.396 53.601 54.000 -0.004 0.000 1.035 92 D CB 1.096 41.890 40.800 -0.010 0.000 1.105 92 D HN 0.212 nan 8.370 nan 0.000 0.551 93 I N 0.374 120.943 120.570 -0.001 0.000 2.529 93 I HA 0.302 4.473 4.170 0.001 0.000 0.284 93 I C 1.391 177.506 176.117 -0.003 0.000 1.082 93 I CA 0.435 61.736 61.300 0.003 0.000 1.406 93 I CB 1.039 39.041 38.000 0.002 0.000 1.405 93 I HN 0.743 nan 8.210 nan 0.000 0.548 94 G N 3.715 112.517 108.800 0.004 0.000 2.195 94 G HA2 -0.201 3.759 3.960 0.001 0.000 0.224 94 G HA3 -0.201 3.759 3.960 0.001 0.000 0.224 94 G C -0.049 174.840 174.900 -0.019 0.000 0.990 94 G CA -0.496 44.602 45.100 -0.004 0.000 0.639 94 G HN 0.559 nan 8.290 nan 0.000 0.514 95 D N 0.288 120.683 120.400 -0.007 0.000 2.344 95 D HA 0.627 5.268 4.640 0.001 0.000 0.244 95 D C 0.705 177.025 176.300 0.033 0.000 1.134 95 D CA 0.280 54.278 54.000 -0.003 0.000 0.930 95 D CB 1.064 41.868 40.800 0.007 0.000 1.175 95 D HN 0.353 nan 8.370 nan 0.000 0.437 96 I N 1.431 122.023 120.570 0.035 0.000 2.466 96 I HA 0.373 4.544 4.170 0.001 0.000 0.289 96 I C -0.369 175.795 176.117 0.078 0.000 1.026 96 I CA -0.579 60.756 61.300 0.059 0.000 1.078 96 I CB 1.707 39.725 38.000 0.029 0.000 1.249 96 I HN 0.045 nan 8.210 nan 0.000 0.429 97 I N 6.637 127.282 120.570 0.126 0.000 2.474 97 I HA 0.525 4.696 4.170 0.001 0.000 0.294 97 I C -0.671 175.460 176.117 0.023 0.000 1.005 97 I CA -0.643 60.749 61.300 0.154 0.000 1.113 97 I CB 2.244 40.438 38.000 0.323 0.000 1.289 97 I HN 0.397 nan 8.210 nan 0.000 0.436 98 I N 4.400 124.951 120.570 -0.030 0.000 2.569 98 I HA 0.318 4.489 4.170 0.001 0.000 0.296 98 I C -0.987 175.052 176.117 -0.130 0.000 1.028 98 I CA -0.538 60.673 61.300 -0.148 0.000 1.082 98 I CB 2.145 40.151 38.000 0.011 0.000 1.264 98 I HN 0.427 nan 8.210 nan 0.000 0.429 99 D N 3.819 124.069 120.400 -0.250 0.000 2.453 99 D HA 0.372 5.012 4.640 0.001 0.000 0.238 99 D C 0.681 177.017 176.300 0.061 0.000 1.088 99 D CA -0.418 53.557 54.000 -0.042 0.000 0.854 99 D CB 1.799 42.620 40.800 0.035 0.000 1.076 99 D HN 0.661 nan 8.370 nan 0.000 0.533 100 G N 2.341 111.187 108.800 0.077 0.000 2.838 100 G HA2 0.211 4.172 3.960 0.001 0.000 0.210 100 G HA3 0.211 4.172 3.960 0.001 0.000 0.210 100 G C 0.855 175.807 174.900 0.087 0.000 1.153 100 G CA 0.111 45.264 45.100 0.089 0.000 0.778 100 G HN 0.549 nan 8.290 nan 0.000 0.539 101 G N 0.078 108.918 108.800 0.067 0.000 2.667 101 G HA2 0.260 4.221 3.960 0.001 0.000 0.250 101 G HA3 0.260 4.221 3.960 0.001 0.000 0.250 101 G C -0.196 174.656 174.900 -0.081 0.000 1.212 101 G CA -0.722 44.384 45.100 0.009 0.000 0.874 101 G HN 0.316 nan 8.290 nan 0.000 0.561 102 N N 0.559 119.216 118.700 -0.072 0.000 3.050 102 N HA 0.241 4.981 4.740 0.001 0.000 0.289 102 N C -0.128 175.337 175.510 -0.074 0.000 1.209 102 N CA -0.128 52.868 53.050 -0.090 0.000 1.154 102 N CB 0.575 39.081 38.487 0.032 0.000 1.444 102 N HN 0.227 nan 8.380 nan 0.000 0.529 103 S N 0.755 116.222 115.700 -0.388 0.000 2.586 103 S HA 0.088 4.559 4.470 0.001 0.000 0.274 103 S C 0.419 174.875 174.600 -0.240 0.000 1.281 103 S CA -0.669 57.388 58.200 -0.237 0.000 1.035 103 S CB 1.064 64.189 63.200 -0.124 0.000 0.962 103 S HN 0.452 nan 8.310 nan 0.000 0.512 104 E N 1.235 121.241 120.200 -0.323 0.000 2.480 104 E HA -0.029 4.322 4.350 0.001 0.000 0.258 104 E C 0.611 177.094 176.600 -0.195 0.000 0.984 104 E CA 0.065 56.162 56.400 -0.504 0.000 0.930 104 E CB 0.103 29.422 29.700 -0.635 0.000 0.936 104 E HN 0.628 nan 8.360 nan 0.000 0.466 105 Y N 3.979 124.232 120.300 -0.078 0.000 2.315 105 Y HA -0.140 4.411 4.550 0.000 0.000 0.288 105 Y C 1.636 177.556 175.900 0.032 0.000 1.154 105 Y CA 1.216 59.355 58.100 0.065 0.000 1.229 105 Y CB -0.219 38.343 38.460 0.171 0.000 0.980 105 Y HN 0.427 nan 8.280 nan 0.000 0.540 106 R N 0.531 120.716 120.500 -0.523 0.000 2.115 106 R HA -0.112 4.229 4.340 0.001 0.000 0.230 106 R C 1.458 177.682 176.300 -0.127 0.000 1.111 106 R CA 1.363 57.276 56.100 -0.312 0.000 0.976 106 R CB -0.221 29.842 30.300 -0.395 0.000 0.870 106 R HN 0.425 nan 8.270 nan 0.000 0.445 107 D N -0.508 119.821 120.400 -0.119 0.000 2.123 107 D HA -0.080 4.561 4.640 0.001 0.000 0.200 107 D C 1.708 178.042 176.300 0.056 0.000 0.976 107 D CA 1.367 55.342 54.000 -0.042 0.000 0.831 107 D CB -0.231 40.539 40.800 -0.051 0.000 0.974 107 D HN 0.129 nan 8.370 nan 0.000 0.469 108 T N 1.044 115.691 114.554 0.155 0.000 2.746 108 T HA -0.112 4.238 4.350 0.001 0.000 0.267 108 T C 2.168 176.994 174.700 0.210 0.000 1.039 108 T CA 0.912 63.196 62.100 0.306 0.000 1.142 108 T CB -0.104 68.967 68.868 0.337 0.000 0.866 108 T HN 0.128 nan 8.240 nan 0.000 0.444 109 M N 0.529 120.208 119.600 0.130 0.000 2.065 109 M HA -0.114 4.367 4.480 0.001 0.000 0.259 109 M C 2.571 178.905 176.300 0.058 0.000 1.071 109 M CA 1.704 57.069 55.300 0.108 0.000 1.109 109 M CB -0.412 32.247 32.600 0.098 0.000 1.313 109 M HN 0.107 nan 8.290 nan 0.000 0.408 110 R N 0.604 121.113 120.500 0.014 0.000 2.122 110 R HA -0.220 4.120 4.340 0.001 0.000 0.236 110 R C 2.225 178.477 176.300 -0.080 0.000 1.129 110 R CA 2.290 58.374 56.100 -0.026 0.000 0.925 110 R CB -0.271 30.003 30.300 -0.043 0.000 0.850 110 R HN 0.300 nan 8.270 nan 0.000 0.431 111 R N -0.266 120.141 120.500 -0.155 0.000 2.096 111 R HA -0.202 4.138 4.340 0.001 0.000 0.240 111 R C 2.650 178.685 176.300 -0.442 0.000 1.139 111 R CA 1.694 57.554 56.100 -0.399 0.000 0.952 111 R CB -0.938 28.928 30.300 -0.724 0.000 0.854 111 R HN 0.431 nan 8.270 nan 0.000 0.436 112 C N 0.703 119.890 119.300 -0.188 0.000 2.413 112 C HA -0.108 4.353 4.460 0.001 0.000 0.276 112 C C 2.614 177.621 174.990 0.029 0.000 1.248 112 C CA 0.986 60.046 59.018 0.070 0.000 1.742 112 C CB -0.717 27.181 27.740 0.263 0.000 2.017 112 C HN 0.394 nan 8.230 nan 0.000 0.481 113 R N 0.233 120.739 120.500 0.009 0.000 2.055 113 R HA -0.097 4.243 4.340 0.001 0.000 0.228 113 R C 2.284 178.577 176.300 -0.012 0.000 1.143 113 R CA 1.711 57.821 56.100 0.017 0.000 0.945 113 R CB -0.711 29.604 30.300 0.024 0.000 0.841 113 R HN 0.592 nan 8.270 nan 0.000 0.429 114 D N 0.763 121.136 120.400 -0.045 0.000 2.126 114 D HA -0.199 4.442 4.640 0.001 0.000 0.190 114 D C 1.805 178.071 176.300 -0.056 0.000 1.001 114 D CA 1.474 55.440 54.000 -0.056 0.000 0.841 114 D CB 0.122 40.870 40.800 -0.087 0.000 0.949 114 D HN 0.007 nan 8.370 nan 0.000 0.446 115 L N 1.091 122.262 121.223 -0.087 0.000 2.131 115 L HA -0.101 4.239 4.340 0.001 0.000 0.210 115 L C 2.506 179.374 176.870 -0.003 0.000 1.092 115 L CA 1.212 56.019 54.840 -0.056 0.000 0.759 115 L CB -0.529 41.478 42.059 -0.086 0.000 0.903 115 L HN 0.003 nan 8.230 nan 0.000 0.435 116 K N -0.019 120.388 120.400 0.013 0.000 2.097 116 K HA -0.210 4.111 4.320 0.001 0.000 0.205 116 K C 1.664 178.275 176.600 0.018 0.000 1.050 116 K CA 1.666 57.971 56.287 0.031 0.000 0.938 116 K CB -0.075 32.451 32.500 0.043 0.000 0.718 116 K HN 0.508 nan 8.250 nan 0.000 0.442 117 D N 0.027 120.432 120.400 0.008 0.000 2.224 117 D HA -0.144 4.496 4.640 0.001 0.000 0.205 117 D C 1.186 177.487 176.300 0.001 0.000 0.965 117 D CA 1.120 55.123 54.000 0.005 0.000 0.852 117 D CB -0.084 40.716 40.800 0.000 0.000 0.947 117 D HN 0.091 nan 8.370 nan 0.000 0.494 118 K N -0.733 119.666 120.400 -0.003 0.000 2.487 118 K HA 0.198 4.519 4.320 0.001 0.000 0.192 118 K C 1.117 177.721 176.600 0.006 0.000 1.027 118 K CA 0.484 56.770 56.287 -0.002 0.000 1.054 118 K CB 0.125 32.620 32.500 -0.010 0.000 0.824 118 K HN 0.344 nan 8.250 nan 0.000 0.510 119 G N 1.468 110.276 108.800 0.013 0.000 2.157 119 G HA2 -0.253 3.707 3.960 0.001 0.000 0.248 119 G HA3 -0.253 3.707 3.960 0.001 0.000 0.248 119 G C 0.046 174.963 174.900 0.028 0.000 0.979 119 G CA -0.098 45.013 45.100 0.018 0.000 0.650 119 G HN 0.230 nan 8.290 nan 0.000 0.529 120 I N 0.800 121.392 120.570 0.037 0.000 2.377 120 I HA 0.471 4.642 4.170 0.001 0.000 0.293 120 I C 0.220 176.394 176.117 0.095 0.000 0.987 120 I CA -1.255 60.081 61.300 0.060 0.000 1.185 120 I CB 1.451 39.491 38.000 0.066 0.000 1.341 120 I HN -0.132 nan 8.210 nan 0.000 0.455 121 L N 6.838 128.123 121.223 0.103 0.000 2.361 121 L HA 0.260 4.601 4.340 0.001 0.000 0.278 121 L C -0.504 176.490 176.870 0.205 0.000 1.113 121 L CA 0.564 55.480 54.840 0.126 0.000 0.849 121 L CB -0.210 41.900 42.059 0.086 0.000 1.155 121 L HN 0.357 nan 8.230 nan 0.000 0.452 122 F N 4.767 124.749 119.950 0.052 0.000 2.495 122 F HA 0.725 5.253 4.527 0.000 0.000 0.327 122 F C -0.544 175.295 175.800 0.064 0.000 1.103 122 F CA -0.886 57.145 58.000 0.052 0.000 0.949 122 F CB 1.725 40.751 39.000 0.043 0.000 1.142 122 F HN 0.188 nan 8.300 nan 0.000 0.457 123 V N 4.855 124.496 119.914 -0.454 0.000 2.789 123 V HA 0.908 5.029 4.120 0.001 0.000 0.311 123 V C -0.798 174.841 176.094 -0.758 0.000 1.073 123 V CA -0.291 61.772 62.300 -0.395 0.000 0.921 123 V CB 1.686 33.452 31.823 -0.095 0.000 1.009 123 V HN 1.039 nan 8.190 nan 0.000 0.426 124 G N 3.666 112.061 108.800 -0.675 0.000 2.384 124 G HA2 0.588 4.548 3.960 0.001 0.000 0.316 124 G HA3 0.588 4.548 3.960 0.001 0.000 0.316 124 G C -0.517 173.916 174.900 -0.778 0.000 1.160 124 G CA -0.364 44.199 45.100 -0.895 0.000 0.936 124 G HN 0.921 nan 8.290 nan 0.000 0.455 125 S N 0.581 116.059 115.700 -0.371 0.000 2.472 125 S HA 0.719 5.189 4.470 0.001 0.000 0.303 125 S C 0.586 175.241 174.600 0.091 0.000 1.099 125 S CA -0.523 57.617 58.200 -0.100 0.000 1.077 125 S CB 1.923 65.216 63.200 0.154 0.000 1.031 125 S HN 0.865 nan 8.310 nan 0.000 0.487 126 G N 1.174 110.027 108.800 0.089 0.000 2.395 126 G HA2 0.535 4.496 3.960 0.001 0.000 0.283 126 G HA3 0.535 4.496 3.960 0.001 0.000 0.283 126 G C -0.830 174.084 174.900 0.024 0.000 1.178 126 G CA -0.354 44.822 45.100 0.127 0.000 0.837 126 G HN 0.577 nan 8.290 nan 0.000 0.518 127 V N 0.946 120.853 119.914 -0.011 0.000 2.555 127 V HA 0.733 4.853 4.120 0.001 0.000 0.302 127 V C 0.120 176.154 176.094 -0.101 0.000 1.038 127 V CA -0.610 61.649 62.300 -0.068 0.000 0.887 127 V CB 1.658 33.436 31.823 -0.075 0.000 0.991 127 V HN 0.824 nan 8.190 nan 0.000 0.434 128 S N 1.877 117.494 115.700 -0.139 0.000 2.588 128 S HA 0.829 5.300 4.470 0.001 0.000 0.275 128 S C 0.483 174.998 174.600 -0.142 0.000 1.130 128 S CA 0.562 58.656 58.200 -0.177 0.000 0.855 128 S CB 1.859 64.826 63.200 -0.387 0.000 1.116 128 S HN 1.598 nan 8.310 nan 0.000 0.472 129 G N 1.048 109.774 108.800 -0.124 0.000 2.545 129 G HA2 0.311 4.271 3.960 0.001 0.000 0.195 129 G HA3 0.311 4.271 3.960 0.001 0.000 0.195 129 G C 1.273 176.118 174.900 -0.092 0.000 1.009 129 G CA 0.596 45.621 45.100 -0.125 0.000 0.703 129 G HN 2.181 nan 8.290 nan 0.000 0.479 130 G N 0.242 109.002 108.800 -0.067 0.000 2.681 130 G HA2 -0.060 3.900 3.960 0.001 0.000 0.220 130 G HA3 -0.060 3.900 3.960 0.001 0.000 0.220 130 G C 0.559 175.429 174.900 -0.050 0.000 1.353 130 G CA 0.889 45.962 45.100 -0.046 0.000 0.872 130 G HN 0.936 nan 8.290 nan 0.000 0.557 131 E N 0.124 120.303 120.200 -0.035 0.000 2.038 131 E HA -0.136 4.215 4.350 0.001 0.000 0.195 131 E C 2.027 178.607 176.600 -0.033 0.000 1.000 131 E CA 1.855 58.234 56.400 -0.036 0.000 0.803 131 E CB -0.240 29.449 29.700 -0.018 0.000 0.750 131 E HN 0.599 nan 8.360 nan 0.000 0.448 132 D N 0.389 120.789 120.400 -0.001 0.000 2.127 132 D HA -0.198 4.443 4.640 0.001 0.000 0.190 132 D C 2.002 178.321 176.300 0.032 0.000 1.000 132 D CA 1.661 55.688 54.000 0.045 0.000 0.839 132 D CB -0.835 39.994 40.800 0.048 0.000 0.955 132 D HN 0.316 nan 8.370 nan 0.000 0.446 133 G N 0.337 109.123 108.800 -0.022 0.000 2.421 133 G HA2 -0.158 3.803 3.960 0.001 0.000 0.216 133 G HA3 -0.158 3.803 3.960 0.001 0.000 0.216 133 G C 1.698 176.558 174.900 -0.066 0.000 1.171 133 G CA 1.249 46.325 45.100 -0.040 0.000 0.775 133 G HN 0.418 nan 8.290 nan 0.000 0.543 134 A N 0.532 123.298 122.820 -0.089 0.000 1.978 134 A HA -0.066 4.255 4.320 0.001 0.000 0.220 134 A C 2.339 179.832 177.584 -0.153 0.000 1.170 134 A CA 2.233 54.202 52.037 -0.113 0.000 0.636 134 A CB -0.361 18.576 19.000 -0.105 0.000 0.810 134 A HN 0.332 nan 8.150 nan 0.000 0.448 135 R N -1.566 118.804 120.500 -0.216 0.000 2.057 135 R HA -0.046 4.295 4.340 0.001 0.000 0.229 135 R C 1.593 177.484 176.300 -0.681 0.000 1.136 135 R CA 1.938 57.773 56.100 -0.443 0.000 0.952 135 R CB -0.614 29.348 30.300 -0.564 0.000 0.848 135 R HN 0.567 nan 8.270 nan 0.000 0.430 136 Y N -2.218 118.094 120.300 0.019 0.000 2.479 136 Y HA 0.456 5.007 4.550 0.001 0.000 0.283 136 Y C 0.585 176.516 175.900 0.051 0.000 1.109 136 Y CA 0.504 58.628 58.100 0.040 0.000 1.239 136 Y CB 0.917 39.391 38.460 0.023 0.000 1.108 136 Y HN 0.208 nan 8.280 nan 0.000 0.548 137 G N 1.380 110.232 108.800 0.087 0.000 2.312 137 G HA2 0.232 4.192 3.960 0.001 0.000 0.279 137 G HA3 0.232 4.192 3.960 0.001 0.000 0.279 137 G C -3.288 171.608 174.900 -0.006 0.000 2.698 137 G CA -0.849 44.281 45.100 0.049 0.000 0.764 137 G HN -0.247 nan 8.290 nan 0.000 0.465 138 P HA 0.522 nan 4.420 nan 0.000 0.279 138 P C 0.157 177.417 177.300 -0.067 0.000 1.276 138 P CA -0.286 62.766 63.100 -0.080 0.000 0.801 138 P CB 1.759 33.391 31.700 -0.113 0.000 1.127 139 S N 0.084 115.742 115.700 -0.070 0.000 2.475 139 S HA 0.634 5.104 4.470 0.001 0.000 0.298 139 S C -0.592 173.975 174.600 -0.055 0.000 1.119 139 S CA -0.742 57.438 58.200 -0.033 0.000 1.085 139 S CB 0.212 63.420 63.200 0.014 0.000 1.028 139 S HN 0.297 nan 8.310 nan 0.000 0.489 140 L N 3.083 124.290 121.223 -0.026 0.000 2.376 140 L HA 0.514 4.854 4.340 0.001 0.000 0.275 140 L C -0.651 176.234 176.870 0.024 0.000 0.987 140 L CA -0.473 54.357 54.840 -0.018 0.000 0.828 140 L CB 1.728 43.744 42.059 -0.073 0.000 1.249 140 L HN 0.675 nan 8.230 nan 0.000 0.409 141 M N 5.955 125.550 119.600 -0.009 0.000 2.268 141 M HA 0.328 4.808 4.480 0.001 0.000 0.340 141 M C -2.558 173.620 176.300 -0.205 0.000 1.099 141 M CA -1.412 53.828 55.300 -0.100 0.000 1.053 141 M CB 1.157 33.728 32.600 -0.048 0.000 1.284 141 M HN 0.160 nan 8.290 nan 0.000 0.410 142 P HA 0.465 nan 4.420 nan 0.000 0.297 142 P C -0.530 176.067 177.300 -1.171 0.000 1.319 142 P CA 0.001 62.797 63.100 -0.507 0.000 0.810 142 P CB 1.874 33.438 31.700 -0.226 0.000 0.947 143 G N 0.988 109.118 108.800 -1.118 0.000 2.658 143 G HA2 0.789 4.750 3.960 0.001 0.000 0.292 143 G HA3 0.789 4.750 3.960 0.001 0.000 0.292 143 G C -0.416 173.983 174.900 -0.834 0.000 1.320 143 G CA -0.584 43.707 45.100 -1.348 0.000 0.933 143 G HN 0.766 nan 8.290 nan 0.000 0.476 144 G N -0.170 108.386 108.800 -0.408 0.000 2.225 144 G HA2 0.002 3.962 3.960 0.001 0.000 0.203 144 G HA3 0.002 3.962 3.960 0.001 0.000 0.203 144 G C -0.640 174.477 174.900 0.362 0.000 1.335 144 G CA -0.219 44.902 45.100 0.033 0.000 1.183 144 G HN 1.024 nan 8.290 nan 0.000 0.488 145 N N 1.438 120.326 118.700 0.314 0.000 2.406 145 N HA 0.106 4.847 4.740 0.001 0.000 0.265 145 N C 1.419 176.978 175.510 0.081 0.000 1.203 145 N CA -0.071 53.106 53.050 0.213 0.000 0.945 145 N CB 1.152 39.731 38.487 0.154 0.000 1.165 145 N HN 0.549 nan 8.380 nan 0.000 0.485 146 K N 3.107 123.473 120.400 -0.056 0.000 2.160 146 K HA -0.164 4.156 4.320 0.001 0.000 0.206 146 K C 0.959 177.276 176.600 -0.472 0.000 1.047 146 K CA 1.121 57.054 56.287 -0.590 0.000 0.930 146 K CB 0.215 32.479 32.500 -0.393 0.000 0.720 146 K HN 0.663 nan 8.250 nan 0.000 0.450 147 E N -0.297 119.777 120.200 -0.210 0.000 2.171 147 E HA -0.207 4.144 4.350 0.001 0.000 0.197 147 E C 1.821 178.335 176.600 -0.144 0.000 0.997 147 E CA 1.094 57.407 56.400 -0.145 0.000 0.810 147 E CB -0.045 29.628 29.700 -0.045 0.000 0.738 147 E HN 0.333 nan 8.360 nan 0.000 0.467 148 A N 1.516 124.264 122.820 -0.120 0.000 1.933 148 A HA -0.199 4.122 4.320 0.001 0.000 0.218 148 A C 1.871 179.389 177.584 -0.110 0.000 1.175 148 A CA 1.054 53.066 52.037 -0.041 0.000 0.628 148 A CB -1.153 17.849 19.000 0.003 0.000 0.814 148 A HN 0.609 nan 8.150 nan 0.000 0.444 149 W N 1.228 122.202 121.300 -0.543 0.000 2.290 149 W HA -0.242 4.418 4.660 -0.001 0.000 0.328 149 W C -1.224 175.077 176.519 -0.364 0.000 1.272 149 W CA 2.311 59.333 57.345 -0.539 0.000 1.262 149 W CB -1.203 27.730 29.460 -0.878 0.000 1.151 149 W HN 0.291 nan 8.180 nan 0.000 0.473 150 P HA -0.150 nan 4.420 nan 0.000 0.220 150 P C 0.730 177.703 177.300 -0.545 0.000 1.148 150 P CA 2.079 64.785 63.100 -0.657 0.000 0.803 150 P CB -0.386 30.981 31.700 -0.554 0.000 0.782 151 H N -0.971 117.945 119.070 -0.257 0.000 2.395 151 H HA 0.021 4.577 4.556 0.000 0.000 0.299 151 H C 1.837 177.037 175.328 -0.215 0.000 1.070 151 H CA 1.000 56.937 56.048 -0.185 0.000 1.356 151 H CB -0.317 29.370 29.762 -0.125 0.000 1.401 151 H HN 0.201 nan 8.280 nan 0.000 0.524 152 I N -1.610 118.845 120.570 -0.192 0.000 3.783 152 I HA 0.081 4.251 4.170 0.001 0.000 0.310 152 I C 2.025 177.944 176.117 -0.330 0.000 1.274 152 I CA 0.185 61.344 61.300 -0.236 0.000 1.294 152 I CB 0.062 37.841 38.000 -0.367 0.000 1.051 152 I HN -0.019 nan 8.210 nan 0.000 0.435 153 K N 2.427 122.447 120.400 -0.633 0.000 2.030 153 K HA -0.287 4.034 4.320 0.001 0.000 0.222 153 K C 2.192 178.567 176.600 -0.376 0.000 1.056 153 K CA 2.693 58.424 56.287 -0.927 0.000 0.957 153 K CB -0.312 31.495 32.500 -1.154 0.000 0.727 153 K HN 0.495 nan 8.250 nan 0.000 0.452 154 A N 0.653 123.330 122.820 -0.239 0.000 2.019 154 A HA -0.105 4.215 4.320 0.001 0.000 0.219 154 A C 2.034 179.598 177.584 -0.033 0.000 1.164 154 A CA 1.422 53.421 52.037 -0.065 0.000 0.644 154 A CB -0.451 18.563 19.000 0.023 0.000 0.805 154 A HN 0.389 nan 8.150 nan 0.000 0.449 155 I N -2.271 118.188 120.570 -0.184 0.000 2.188 155 I HA -0.136 4.034 4.170 0.001 0.000 0.237 155 I C 2.192 178.210 176.117 -0.164 0.000 1.073 155 I CA 1.062 62.064 61.300 -0.496 0.000 1.359 155 I CB -0.542 37.177 38.000 -0.470 0.000 1.083 155 I HN 0.238 nan 8.210 nan 0.000 0.412 156 F N 1.570 121.387 119.950 -0.223 0.000 2.091 156 F HA -0.278 4.250 4.527 0.002 0.000 0.299 156 F C 2.801 178.566 175.800 -0.059 0.000 1.103 156 F CA 1.650 59.596 58.000 -0.089 0.000 1.228 156 F CB -0.817 38.228 39.000 0.076 0.000 0.984 156 F HN 0.146 nan 8.300 nan 0.000 0.477 157 Q N -0.831 119.055 119.800 0.142 0.000 2.119 157 Q HA -0.100 4.241 4.340 0.001 0.000 0.201 157 Q C 2.581 178.575 176.000 -0.010 0.000 0.972 157 Q CA 1.275 57.129 55.803 0.085 0.000 0.847 157 Q CB -0.746 28.036 28.738 0.074 0.000 0.903 157 Q HN 0.519 nan 8.270 nan 0.000 0.433 158 G N 1.706 110.472 108.800 -0.056 0.000 2.421 158 G HA2 -0.174 3.786 3.960 0.001 0.000 0.217 158 G HA3 -0.174 3.786 3.960 0.001 0.000 0.217 158 G C 1.491 176.093 174.900 -0.497 0.000 1.143 158 G CA 0.720 45.738 45.100 -0.137 0.000 0.784 158 G HN 0.482 nan 8.290 nan 0.000 0.541 159 I N -1.406 118.913 120.570 -0.418 0.000 3.578 159 I HA 0.553 4.724 4.170 0.001 0.000 0.295 159 I C 1.350 177.347 176.117 -0.200 0.000 1.280 159 I CA -0.301 60.739 61.300 -0.433 0.000 1.347 159 I CB 0.073 37.910 38.000 -0.271 0.000 1.051 159 I HN 0.071 nan 8.210 nan 0.000 0.460 160 A N 1.826 124.562 122.820 -0.140 0.000 2.346 160 A HA 0.705 5.026 4.320 0.001 0.000 0.252 160 A C 0.690 178.271 177.584 -0.004 0.000 1.089 160 A CA 0.068 52.067 52.037 -0.063 0.000 0.797 160 A CB 0.074 19.062 19.000 -0.020 0.000 1.047 160 A HN 0.504 nan 8.150 nan 0.000 0.494 161 A N 1.016 123.844 122.820 0.014 0.000 2.425 161 A HA 0.547 4.868 4.320 0.001 0.000 0.242 161 A C 0.190 177.804 177.584 0.050 0.000 1.077 161 A CA -0.177 51.886 52.037 0.043 0.000 0.781 161 A CB 0.076 19.096 19.000 0.032 0.000 1.020 161 A HN 0.783 nan 8.150 nan 0.000 0.494 162 K N 1.504 121.940 120.400 0.061 0.000 2.422 162 K HA 0.606 4.926 4.320 0.001 0.000 0.251 162 K C -1.327 175.309 176.600 0.060 0.000 0.933 162 K CA -0.653 55.671 56.287 0.061 0.000 0.798 162 K CB 1.086 33.624 32.500 0.064 0.000 1.238 162 K HN 0.266 nan 8.250 nan 0.000 0.428 163 V N 1.456 121.406 119.914 0.060 0.000 2.644 163 V HA 0.232 4.352 4.120 0.001 0.000 0.295 163 V C 1.941 178.067 176.094 0.052 0.000 1.053 163 V CA 0.319 62.654 62.300 0.059 0.000 0.987 163 V CB 0.984 32.845 31.823 0.064 0.000 1.006 163 V HN 1.033 nan 8.190 nan 0.000 0.472 164 G N 3.374 112.202 108.800 0.048 0.000 3.404 164 G HA2 -0.440 3.521 3.960 0.001 0.000 0.260 164 G HA3 -0.440 3.521 3.960 0.001 0.000 0.260 164 G C 1.318 176.241 174.900 0.039 0.000 1.060 164 G CA 2.199 47.324 45.100 0.041 0.000 0.752 164 G HN 0.973 nan 8.290 nan 0.000 0.717 165 T N -1.740 112.837 114.554 0.039 0.000 3.072 165 T HA 0.342 4.693 4.350 0.001 0.000 0.266 165 T C 2.110 176.834 174.700 0.039 0.000 1.127 165 T CA 1.167 63.288 62.100 0.036 0.000 1.107 165 T CB -0.092 68.798 68.868 0.036 0.000 0.910 165 T HN 1.857 nan 8.240 nan 0.000 0.513 166 G N 0.682 109.509 108.800 0.044 0.000 2.176 166 G HA2 -0.211 3.750 3.960 0.001 0.000 0.232 166 G HA3 -0.211 3.750 3.960 0.001 0.000 0.232 166 G C -0.224 174.707 174.900 0.052 0.000 0.986 166 G CA -0.196 44.933 45.100 0.048 0.000 0.643 166 G HN 0.571 nan 8.290 nan 0.000 0.522 167 E N 2.306 122.537 120.200 0.052 0.000 2.366 167 E HA 0.380 4.731 4.350 0.001 0.000 0.266 167 E C -1.547 175.090 176.600 0.061 0.000 1.015 167 E CA -1.190 55.245 56.400 0.057 0.000 0.906 167 E CB 0.902 30.635 29.700 0.054 0.000 0.979 167 E HN 0.326 nan 8.360 nan 0.000 0.443 168 P HA -0.051 nan 4.420 nan 0.000 0.268 168 P C -0.457 176.885 177.300 0.069 0.000 1.205 168 P CA -0.182 62.959 63.100 0.068 0.000 0.771 168 P CB 0.652 32.399 31.700 0.079 0.000 0.858 169 C N 3.950 123.286 119.300 0.061 0.000 2.861 169 C HA 0.368 4.829 4.460 0.001 0.000 0.542 169 C C 0.815 175.839 174.990 0.057 0.000 1.074 169 C CA -0.148 58.907 59.018 0.061 0.000 1.232 169 C CB -2.093 25.686 27.740 0.065 0.000 1.433 169 C HN 0.654 nan 8.230 nan 0.000 0.606 170 C N 2.485 121.829 119.300 0.072 0.000 3.234 170 C HA 0.572 5.032 4.460 0.001 0.000 0.439 170 C C -1.744 173.336 174.990 0.149 0.000 0.946 170 C CA -0.196 58.883 59.018 0.103 0.000 1.193 170 C CB 0.545 28.386 27.740 0.168 0.000 1.579 170 C HN 0.747 nan 8.230 nan 0.000 0.614 171 D N 2.308 122.734 120.400 0.044 0.000 2.665 171 D HA 0.358 4.999 4.640 0.001 0.000 0.287 171 D C -1.440 174.629 176.300 -0.386 0.000 1.266 171 D CA -0.280 53.725 54.000 0.009 0.000 0.830 171 D CB 1.117 41.931 40.800 0.023 0.000 1.356 171 D HN 0.752 nan 8.370 nan 0.000 0.437 172 W N 2.934 123.640 121.300 -0.990 0.000 2.381 172 W HA 0.211 4.873 4.660 0.002 0.000 0.321 172 W C 0.152 176.296 176.519 -0.626 0.000 1.407 172 W CA -0.382 56.274 57.345 -1.149 0.000 1.274 172 W CB 0.902 29.451 29.460 -1.520 0.000 1.310 172 W HN 0.194 nan 8.180 nan 0.000 0.551 173 V N 6.336 125.605 119.914 -1.076 0.000 2.379 173 V HA 0.158 4.278 4.120 0.001 0.000 0.243 173 V C 1.235 176.837 176.094 -0.819 0.000 1.035 173 V CA 1.995 63.803 62.300 -0.820 0.000 1.035 173 V CB -0.630 30.733 31.823 -0.766 0.000 0.673 173 V HN 0.839 nan 8.190 nan 0.000 0.457 174 G N -1.043 107.067 108.800 -1.150 0.000 2.352 174 G HA2 0.126 4.086 3.960 0.001 0.000 0.283 174 G HA3 0.126 4.086 3.960 0.001 0.000 0.283 174 G C -1.926 172.654 174.900 -0.533 0.000 1.308 174 G CA -0.595 44.151 45.100 -0.591 0.000 0.892 174 G HN 0.210 nan 8.290 nan 0.000 0.504 175 D N 0.741 120.995 120.400 -0.243 0.000 2.371 175 D HA 0.442 5.082 4.640 0.001 0.000 0.242 175 D C 0.883 177.039 176.300 -0.240 0.000 1.218 175 D CA 1.105 55.065 54.000 -0.067 0.000 0.945 175 D CB 0.434 41.363 40.800 0.216 0.000 1.137 175 D HN 0.564 nan 8.370 nan 0.000 0.464 176 D N 0.140 120.554 120.400 0.023 0.000 4.049 176 D HA -0.231 4.409 4.640 0.001 0.000 0.154 176 D C 1.254 177.504 176.300 -0.084 0.000 0.764 176 D CA 1.860 55.909 54.000 0.082 0.000 1.058 176 D CB -1.148 39.834 40.800 0.302 0.000 0.472 176 D HN 0.570 nan 8.370 nan 0.000 0.449 177 G N -0.333 108.423 108.800 -0.074 0.000 3.605 177 G HA2 0.476 4.436 3.960 0.001 0.000 0.277 177 G HA3 0.476 4.436 3.960 0.001 0.000 0.277 177 G C 1.175 175.790 174.900 -0.476 0.000 1.093 177 G CA 0.986 46.028 45.100 -0.097 0.000 0.821 177 G HN 0.641 nan 8.290 nan 0.000 0.532 178 A N 1.007 123.149 122.820 -1.129 0.000 1.873 178 A HA 0.018 4.339 4.320 0.001 0.000 0.218 178 A C 2.641 179.795 177.584 -0.718 0.000 1.193 178 A CA 2.314 53.460 52.037 -1.486 0.000 0.629 178 A CB -0.974 17.091 19.000 -1.558 0.000 0.826 178 A HN 0.550 nan 8.150 nan 0.000 0.447 179 G N -1.791 106.632 108.800 -0.629 0.000 2.418 179 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 179 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 179 G C 1.471 176.289 174.900 -0.137 0.000 1.158 179 G CA 1.231 46.072 45.100 -0.431 0.000 0.771 179 G HN 0.642 nan 8.290 nan 0.000 0.545 180 H N -1.179 117.801 119.070 -0.150 0.000 2.502 180 H HA 0.110 4.667 4.556 0.001 0.000 0.283 180 H C 1.934 177.299 175.328 0.062 0.000 1.015 180 H CA 0.111 56.154 56.048 -0.009 0.000 1.298 180 H CB -0.255 29.532 29.762 0.042 0.000 1.411 180 H HN 0.409 nan 8.280 nan 0.000 0.556 181 F N 0.514 120.445 119.950 -0.032 0.000 2.128 181 F HA -0.118 4.410 4.527 0.002 0.000 0.295 181 F C 2.234 178.022 175.800 -0.019 0.000 1.100 181 F CA 0.627 58.574 58.000 -0.088 0.000 1.260 181 F CB -0.406 38.442 39.000 -0.254 0.000 1.009 181 F HN -0.143 nan 8.300 nan 0.000 0.476 182 V N 0.863 120.900 119.914 0.205 0.000 2.332 182 V HA -0.345 3.775 4.120 0.001 0.000 0.248 182 V C 2.427 178.707 176.094 0.310 0.000 1.055 182 V CA 2.277 64.713 62.300 0.227 0.000 1.038 182 V CB -0.776 31.064 31.823 0.029 0.000 0.651 182 V HN 0.261 nan 8.190 nan 0.000 0.450 183 K N 1.248 121.765 120.400 0.195 0.000 2.063 183 K HA -0.221 4.099 4.320 0.001 0.000 0.208 183 K C 2.100 178.759 176.600 0.098 0.000 1.048 183 K CA 2.534 58.918 56.287 0.162 0.000 0.928 183 K CB -0.577 32.001 32.500 0.130 0.000 0.713 183 K HN 0.652 nan 8.250 nan 0.000 0.442 184 M N -1.612 118.008 119.600 0.033 0.000 2.319 184 M HA -0.002 4.479 4.480 0.001 0.000 0.265 184 M C 1.638 177.839 176.300 -0.166 0.000 1.068 184 M CA 1.342 56.611 55.300 -0.052 0.000 1.118 184 M CB -0.191 32.417 32.600 0.014 0.000 1.395 184 M HN -0.112 nan 8.290 nan 0.000 0.435 185 V N 1.061 120.892 119.914 -0.137 0.000 2.427 185 V HA -0.246 3.875 4.120 0.001 0.000 0.248 185 V C 2.636 178.582 176.094 -0.246 0.000 1.051 185 V CA 2.400 64.620 62.300 -0.134 0.000 1.048 185 V CB -1.288 30.569 31.823 0.057 0.000 0.666 185 V HN 0.694 nan 8.190 nan 0.000 0.456 186 H N 1.408 120.263 119.070 -0.358 0.000 2.289 186 H HA -0.198 4.359 4.556 0.001 0.000 0.296 186 H C 2.134 177.159 175.328 -0.505 0.000 1.091 186 H CA 2.530 58.069 56.048 -0.847 0.000 1.274 186 H CB -0.192 29.064 29.762 -0.843 0.000 1.364 186 H HN 0.376 nan 8.280 nan 0.000 0.490 187 N N -0.022 118.344 118.700 -0.558 0.000 2.166 187 N HA -0.070 4.671 4.740 0.001 0.000 0.186 187 N C 2.175 177.434 175.510 -0.419 0.000 1.019 187 N CA 1.197 53.999 53.050 -0.414 0.000 0.856 187 N CB -0.929 37.432 38.487 -0.210 0.000 0.993 187 N HN 0.597 nan 8.380 nan 0.000 0.426 188 G N 1.088 109.608 108.800 -0.467 0.000 2.446 188 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 188 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 188 G C 1.578 176.272 174.900 -0.344 0.000 1.168 188 G CA 0.578 45.390 45.100 -0.481 0.000 0.771 188 G HN 0.285 nan 8.290 nan 0.000 0.551 189 I N 0.469 120.809 120.570 -0.384 0.000 2.286 189 I HA -0.150 4.021 4.170 0.001 0.000 0.248 189 I C 2.651 178.615 176.117 -0.255 0.000 1.115 189 I CA 1.361 62.436 61.300 -0.375 0.000 1.392 189 I CB -0.198 37.462 38.000 -0.566 0.000 1.065 189 I HN 0.302 nan 8.210 nan 0.000 0.418 190 E N 0.552 120.566 120.200 -0.311 0.000 2.085 190 E HA -0.267 4.083 4.350 0.001 0.000 0.194 190 E C 2.263 178.874 176.600 0.017 0.000 0.994 190 E CA 1.642 57.943 56.400 -0.166 0.000 0.801 190 E CB -0.088 29.460 29.700 -0.252 0.000 0.743 190 E HN 0.429 nan 8.360 nan 0.000 0.453 191 Y N 0.158 120.341 120.300 -0.195 0.000 2.165 191 Y HA -0.117 4.434 4.550 0.001 0.000 0.286 191 Y C 2.473 178.318 175.900 -0.091 0.000 1.155 191 Y CA 1.379 59.396 58.100 -0.139 0.000 1.164 191 Y CB -1.077 37.291 38.460 -0.153 0.000 0.978 191 Y HN 0.172 nan 8.280 nan 0.000 0.513 192 G N -0.359 108.492 108.800 0.084 0.000 2.421 192 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 192 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 192 G C 1.358 176.308 174.900 0.084 0.000 1.171 192 G CA 1.274 46.407 45.100 0.056 0.000 0.775 192 G HN 0.287 nan 8.290 nan 0.000 0.543 193 D N 0.397 120.848 120.400 0.085 0.000 2.144 193 D HA -0.062 4.578 4.640 0.001 0.000 0.199 193 D C 2.606 178.958 176.300 0.087 0.000 0.984 193 D CA 0.798 54.871 54.000 0.122 0.000 0.834 193 D CB -0.257 40.628 40.800 0.141 0.000 0.955 193 D HN 0.322 nan 8.370 nan 0.000 0.465 194 M N -0.040 119.581 119.600 0.034 0.000 2.132 194 M HA -0.178 4.302 4.480 0.001 0.000 0.263 194 M C 2.202 178.502 176.300 0.000 0.000 1.065 194 M CA 1.160 56.451 55.300 -0.015 0.000 1.122 194 M CB -0.092 32.456 32.600 -0.088 0.000 1.365 194 M HN -0.125 nan 8.290 nan 0.000 0.411 195 Q N 0.954 120.764 119.800 0.017 0.000 2.119 195 Q HA -0.064 4.277 4.340 0.001 0.000 0.201 195 Q C 1.708 177.736 176.000 0.048 0.000 0.972 195 Q CA 1.636 57.453 55.803 0.023 0.000 0.847 195 Q CB -0.423 28.339 28.738 0.040 0.000 0.903 195 Q HN 0.540 nan 8.270 nan 0.000 0.433 196 L N -0.515 120.771 121.223 0.105 0.000 2.046 196 L HA -0.153 4.188 4.340 0.001 0.000 0.208 196 L C 2.337 179.315 176.870 0.181 0.000 1.077 196 L CA 1.096 56.042 54.840 0.176 0.000 0.747 196 L CB -0.420 41.797 42.059 0.264 0.000 0.896 196 L HN 0.267 nan 8.230 nan 0.000 0.432 197 I N -0.886 119.803 120.570 0.199 0.000 2.226 197 I HA -0.344 3.827 4.170 0.001 0.000 0.245 197 I C 2.621 178.886 176.117 0.247 0.000 1.100 197 I CA 1.082 62.559 61.300 0.295 0.000 1.374 197 I CB -0.310 37.818 38.000 0.212 0.000 1.057 197 I HN 0.409 nan 8.210 nan 0.000 0.413 198 C N 0.559 119.925 119.300 0.109 0.000 2.413 198 C HA -0.159 4.302 4.460 0.001 0.000 0.277 198 C C 2.622 177.711 174.990 0.165 0.000 1.265 198 C CA 0.846 59.934 59.018 0.116 0.000 1.752 198 C CB -1.097 26.660 27.740 0.029 0.000 1.998 198 C HN 0.497 nan 8.230 nan 0.000 0.489 199 E N 0.786 120.993 120.200 0.010 0.000 2.072 199 E HA -0.131 4.220 4.350 0.001 0.000 0.191 199 E C 2.399 178.928 176.600 -0.117 0.000 0.985 199 E CA 1.226 57.514 56.400 -0.186 0.000 0.801 199 E CB -0.240 29.068 29.700 -0.653 0.000 0.750 199 E HN 0.669 nan 8.360 nan 0.000 0.452 200 A N 0.850 123.706 122.820 0.060 0.000 1.902 200 A HA -0.225 4.096 4.320 0.001 0.000 0.217 200 A C 2.050 179.818 177.584 0.307 0.000 1.181 200 A CA 1.475 53.688 52.037 0.295 0.000 0.623 200 A CB -0.769 18.520 19.000 0.481 0.000 0.818 200 A HN 0.437 nan 8.150 nan 0.000 0.443 201 Y N -0.443 119.993 120.300 0.227 0.000 2.200 201 Y HA -0.228 4.322 4.550 0.001 0.000 0.290 201 Y C 2.258 178.239 175.900 0.136 0.000 1.137 201 Y CA 2.177 60.385 58.100 0.181 0.000 1.163 201 Y CB -0.722 37.805 38.460 0.112 0.000 0.988 201 Y HN 0.581 nan 8.280 nan 0.000 0.518 202 H N -0.648 118.383 119.070 -0.066 0.000 2.457 202 H HA -0.086 4.470 4.556 0.001 0.000 0.294 202 H C 1.983 177.232 175.328 -0.131 0.000 1.064 202 H CA 1.127 57.070 56.048 -0.175 0.000 1.330 202 H CB 0.063 29.791 29.762 -0.057 0.000 1.395 202 H HN 0.375 nan 8.280 nan 0.000 0.541 203 L N -0.277 120.979 121.223 0.054 0.000 2.095 203 L HA -0.155 4.185 4.340 0.001 0.000 0.204 203 L C 2.562 179.450 176.870 0.030 0.000 1.080 203 L CA 0.725 55.593 54.840 0.047 0.000 0.759 203 L CB -0.219 41.922 42.059 0.136 0.000 0.914 203 L HN 0.358 nan 8.230 nan 0.000 0.439 204 M N -0.258 119.346 119.600 0.008 0.000 2.080 204 M HA -0.273 4.208 4.480 0.001 0.000 0.260 204 M C 2.349 178.580 176.300 -0.114 0.000 1.068 204 M CA 1.875 57.153 55.300 -0.037 0.000 1.109 204 M CB -0.395 32.174 32.600 -0.053 0.000 1.342 204 M HN 0.125 nan 8.290 nan 0.000 0.405 205 K N 0.641 120.909 120.400 -0.220 0.000 1.965 205 K HA -0.190 4.130 4.320 0.001 0.000 0.214 205 K C 1.362 177.891 176.600 -0.118 0.000 1.046 205 K CA 2.257 58.390 56.287 -0.256 0.000 0.944 205 K CB -0.049 32.173 32.500 -0.464 0.000 0.726 205 K HN 0.140 nan 8.250 nan 0.000 0.441 206 D N -0.387 119.977 120.400 -0.059 0.000 2.183 206 D HA -0.085 4.556 4.640 0.001 0.000 0.203 206 D C 1.760 178.025 176.300 -0.059 0.000 0.969 206 D CA 0.652 54.628 54.000 -0.041 0.000 0.842 206 D CB 0.268 41.037 40.800 -0.051 0.000 0.957 206 D HN 0.027 nan 8.370 nan 0.000 0.484 207 V N -0.055 119.814 119.914 -0.075 0.000 2.436 207 V HA -0.017 4.104 4.120 0.001 0.000 0.240 207 V C 1.738 177.752 176.094 -0.134 0.000 1.040 207 V CA 0.586 62.821 62.300 -0.109 0.000 1.052 207 V CB 0.069 31.802 31.823 -0.150 0.000 0.707 207 V HN 0.125 nan 8.190 nan 0.000 0.469 208 L N 1.169 122.317 121.223 -0.125 0.000 2.552 208 L HA 0.308 4.649 4.340 0.001 0.000 0.227 208 L C 1.732 178.585 176.870 -0.028 0.000 1.146 208 L CA 1.395 56.178 54.840 -0.095 0.000 0.858 208 L CB -1.038 40.997 42.059 -0.040 0.000 0.969 208 L HN 0.515 nan 8.230 nan 0.000 0.451 209 G N -0.300 108.476 108.800 -0.040 0.000 2.283 209 G HA2 -0.294 3.666 3.960 0.001 0.000 0.280 209 G HA3 -0.294 3.666 3.960 0.001 0.000 0.280 209 G C 0.258 175.135 174.900 -0.039 0.000 1.029 209 G CA 0.389 45.472 45.100 -0.029 0.000 0.840 209 G HN 0.209 nan 8.290 nan 0.000 0.505 210 L N 0.178 121.359 121.223 -0.069 0.000 2.453 210 L HA 0.697 5.037 4.340 0.001 0.000 0.261 210 L C 1.251 178.038 176.870 -0.138 0.000 1.179 210 L CA 0.733 55.523 54.840 -0.084 0.000 0.813 210 L CB 0.968 42.972 42.059 -0.092 0.000 1.110 210 L HN 0.274 nan 8.230 nan 0.000 0.466 211 G N -0.828 107.900 108.800 -0.119 0.000 2.471 211 G HA2 0.346 4.307 3.960 0.001 0.000 0.332 211 G HA3 0.346 4.307 3.960 0.001 0.000 0.332 211 G C 0.309 175.079 174.900 -0.217 0.000 1.176 211 G CA -0.280 44.738 45.100 -0.137 0.000 0.949 211 G HN 0.787 nan 8.290 nan 0.000 0.488 212 H N -0.203 118.785 119.070 -0.136 0.000 2.457 212 H HA -0.061 4.495 4.556 0.001 0.000 0.297 212 H C 2.354 177.576 175.328 -0.176 0.000 1.092 212 H CA 1.685 57.595 56.048 -0.231 0.000 1.309 212 H CB 0.389 29.781 29.762 -0.616 0.000 1.382 212 H HN 0.445 nan 8.280 nan 0.000 0.535 213 K N 0.356 120.748 120.400 -0.014 0.000 2.025 213 K HA -0.136 4.185 4.320 0.001 0.000 0.207 213 K C 1.956 178.562 176.600 0.009 0.000 1.049 213 K CA 1.654 57.970 56.287 0.049 0.000 0.933 213 K CB 0.065 32.624 32.500 0.098 0.000 0.714 213 K HN 0.322 nan 8.250 nan 0.000 0.438 214 E N 0.757 120.948 120.200 -0.015 0.000 2.106 214 E HA -0.089 4.261 4.350 0.001 0.000 0.192 214 E C 1.966 178.530 176.600 -0.059 0.000 0.984 214 E CA 1.074 57.456 56.400 -0.031 0.000 0.806 214 E CB -0.070 29.611 29.700 -0.031 0.000 0.750 214 E HN 0.222 nan 8.360 nan 0.000 0.458 215 M N 0.335 119.895 119.600 -0.067 0.000 2.080 215 M HA -0.155 4.326 4.480 0.001 0.000 0.260 215 M C 2.420 178.738 176.300 0.029 0.000 1.068 215 M CA 1.631 56.908 55.300 -0.038 0.000 1.109 215 M CB -0.417 32.168 32.600 -0.025 0.000 1.342 215 M HN 0.212 nan 8.290 nan 0.000 0.405 216 A N -0.085 122.746 122.820 0.019 0.000 1.972 216 A HA -0.147 4.174 4.320 0.001 0.000 0.219 216 A C 2.223 179.809 177.584 0.005 0.000 1.169 216 A CA 1.384 53.437 52.037 0.026 0.000 0.635 216 A CB -0.533 18.476 19.000 0.016 0.000 0.810 216 A HN 0.333 nan 8.150 nan 0.000 0.446 217 K N -0.239 120.144 120.400 -0.029 0.000 2.026 217 K HA -0.117 4.203 4.320 0.001 0.000 0.208 217 K C 2.313 178.840 176.600 -0.122 0.000 1.048 217 K CA 1.264 57.523 56.287 -0.047 0.000 0.929 217 K CB -0.366 32.112 32.500 -0.036 0.000 0.713 217 K HN 0.421 nan 8.250 nan 0.000 0.439 218 A N 0.595 123.274 122.820 -0.234 0.000 1.858 218 A HA -0.162 4.158 4.320 0.001 0.000 0.216 218 A C 2.070 179.111 177.584 -0.906 0.000 1.190 218 A CA 1.391 53.095 52.037 -0.554 0.000 0.617 218 A CB -0.888 17.727 19.000 -0.642 0.000 0.827 218 A HN 0.266 nan 8.150 nan 0.000 0.443 219 F N 0.858 120.380 119.950 -0.714 0.000 2.126 219 F HA -0.191 4.336 4.527 0.001 0.000 0.299 219 F C 2.607 178.291 175.800 -0.194 0.000 1.096 219 F CA 1.928 59.620 58.000 -0.513 0.000 1.255 219 F CB -0.153 38.668 39.000 -0.298 0.000 0.997 219 F HN 0.547 nan 8.300 nan 0.000 0.479 220 E N -0.570 119.650 120.200 0.033 0.000 2.285 220 E HA -0.182 4.168 4.350 0.001 0.000 0.194 220 E C 1.728 178.358 176.600 0.050 0.000 0.997 220 E CA 1.059 57.492 56.400 0.055 0.000 0.845 220 E CB -0.324 29.398 29.700 0.037 0.000 0.782 220 E HN 0.324 nan 8.360 nan 0.000 0.491 221 E N 0.835 121.040 120.200 0.007 0.000 2.028 221 E HA -0.134 4.216 4.350 0.001 0.000 0.191 221 E C 1.445 178.161 176.600 0.192 0.000 0.988 221 E CA 1.532 57.975 56.400 0.070 0.000 0.799 221 E CB -0.261 29.468 29.700 0.049 0.000 0.755 221 E HN 0.400 nan 8.360 nan 0.000 0.447 222 W N 0.760 122.012 121.300 -0.080 0.000 2.325 222 W HA -0.103 4.558 4.660 0.001 0.000 0.299 222 W C 1.957 178.430 176.519 -0.076 0.000 1.215 222 W CA 1.198 58.471 57.345 -0.120 0.000 1.244 222 W CB -1.509 27.826 29.460 -0.209 0.000 1.140 222 W HN 0.197 nan 8.180 nan 0.000 0.523 223 N N 0.229 119.061 118.700 0.220 0.000 2.635 223 N HA -0.135 4.606 4.740 0.001 0.000 0.191 223 N C 1.396 176.959 175.510 0.089 0.000 1.155 223 N CA 0.894 54.028 53.050 0.140 0.000 0.927 223 N CB -0.191 38.374 38.487 0.130 0.000 0.976 223 N HN 0.041 nan 8.380 nan 0.000 0.448 224 K N -0.970 119.477 120.400 0.079 0.000 2.374 224 K HA 0.070 4.391 4.320 0.001 0.000 0.196 224 K C 0.604 177.214 176.600 0.017 0.000 1.023 224 K CA 0.233 56.549 56.287 0.048 0.000 1.103 224 K CB 0.311 32.841 32.500 0.049 0.000 0.848 224 K HN 0.278 nan 8.250 nan 0.000 0.528 225 T N -2.627 111.920 114.554 -0.010 0.000 2.849 225 T HA 0.157 4.508 4.350 0.001 0.000 0.272 225 T C 1.014 175.646 174.700 -0.115 0.000 1.046 225 T CA -0.474 61.577 62.100 -0.082 0.000 0.983 225 T CB 0.481 69.255 68.868 -0.157 0.000 1.721 225 T HN -0.105 nan 8.240 nan 0.000 0.594 226 E N 0.553 120.611 120.200 -0.237 0.000 2.209 226 E HA 0.011 4.362 4.350 0.001 0.000 0.196 226 E C 1.700 178.151 176.600 -0.248 0.000 0.993 226 E CA 0.849 57.082 56.400 -0.278 0.000 0.819 226 E CB -0.740 28.544 29.700 -0.693 0.000 0.745 226 E HN 0.488 nan 8.360 nan 0.000 0.477 227 L N 1.358 122.414 121.223 -0.278 0.000 2.650 227 L HA 0.004 4.344 4.340 0.001 0.000 0.235 227 L C 0.782 177.655 176.870 0.005 0.000 1.149 227 L CA -0.139 54.615 54.840 -0.144 0.000 0.887 227 L CB -0.432 41.548 42.059 -0.131 0.000 1.021 227 L HN 0.105 nan 8.230 nan 0.000 0.441 228 D N 1.948 122.365 120.400 0.028 0.000 2.479 228 D HA 0.029 4.670 4.640 0.001 0.000 0.257 228 D C -0.126 176.245 176.300 0.118 0.000 1.230 228 D CA 0.579 54.626 54.000 0.079 0.000 0.912 228 D CB 0.542 41.384 40.800 0.070 0.000 1.130 228 D HN 0.281 nan 8.370 nan 0.000 0.515 229 S N 2.626 118.408 115.700 0.137 0.000 2.611 229 S HA 0.185 4.656 4.470 0.001 0.000 0.268 229 S C 0.356 175.074 174.600 0.197 0.000 1.156 229 S CA -0.913 57.396 58.200 0.182 0.000 0.817 229 S CB 0.537 63.840 63.200 0.171 0.000 1.122 229 S HN 0.255 nan 8.310 nan 0.000 0.466 230 F N 1.162 121.168 119.950 0.092 0.000 2.113 230 F HA 0.208 4.735 4.527 0.001 0.000 0.297 230 F C 1.657 177.488 175.800 0.052 0.000 1.103 230 F CA 1.397 59.438 58.000 0.069 0.000 1.248 230 F CB -0.436 38.605 39.000 0.069 0.000 0.999 230 F HN 0.570 nan 8.300 nan 0.000 0.475 231 L N -0.216 120.955 121.223 -0.088 0.000 2.291 231 L HA -0.173 4.167 4.340 0.001 0.000 0.214 231 L C 2.262 179.049 176.870 -0.139 0.000 1.120 231 L CA 0.216 54.934 54.840 -0.204 0.000 0.799 231 L CB -0.494 41.549 42.059 -0.028 0.000 0.925 231 L HN 0.204 nan 8.230 nan 0.000 0.446 232 I N -0.213 120.357 120.570 -0.000 0.000 2.333 232 I HA -0.195 3.976 4.170 0.001 0.000 0.246 232 I C 2.464 178.592 176.117 0.019 0.000 1.106 232 I CA 1.156 62.531 61.300 0.125 0.000 1.411 232 I CB -0.674 37.474 38.000 0.246 0.000 1.082 232 I HN 0.364 nan 8.210 nan 0.000 0.420 233 E N 1.507 121.684 120.200 -0.037 0.000 2.023 233 E HA -0.254 4.097 4.350 0.001 0.000 0.196 233 E C 2.327 178.825 176.600 -0.169 0.000 1.003 233 E CA 2.171 58.533 56.400 -0.063 0.000 0.809 233 E CB -0.153 29.526 29.700 -0.035 0.000 0.755 233 E HN 0.576 nan 8.360 nan 0.000 0.449 234 I N -1.121 119.245 120.570 -0.341 0.000 2.361 234 I HA -0.164 4.007 4.170 0.001 0.000 0.251 234 I C 2.101 178.030 176.117 -0.314 0.000 1.133 234 I CA 1.566 62.651 61.300 -0.358 0.000 1.413 234 I CB -0.488 37.178 38.000 -0.557 0.000 1.073 234 I HN -0.070 nan 8.210 nan 0.000 0.424 235 T N 1.405 115.744 114.554 -0.358 0.000 2.867 235 T HA 0.007 4.357 4.350 0.001 0.000 0.268 235 T C 2.120 176.552 174.700 -0.447 0.000 1.057 235 T CA 1.383 63.188 62.100 -0.493 0.000 1.136 235 T CB -0.295 68.119 68.868 -0.756 0.000 0.874 235 T HN 0.614 nan 8.240 nan 0.000 0.466 236 A N 1.572 124.229 122.820 -0.272 0.000 1.858 236 A HA -0.091 4.230 4.320 0.001 0.000 0.216 236 A C 2.618 180.148 177.584 -0.090 0.000 1.190 236 A CA 1.931 53.892 52.037 -0.127 0.000 0.617 236 A CB -0.989 18.000 19.000 -0.017 0.000 0.827 236 A HN 0.439 nan 8.150 nan 0.000 0.443 237 S N 0.007 115.657 115.700 -0.083 0.000 2.359 237 S HA -0.166 4.305 4.470 0.001 0.000 0.224 237 S C 1.810 176.398 174.600 -0.021 0.000 1.035 237 S CA 1.663 59.847 58.200 -0.028 0.000 1.018 237 S CB -0.573 62.601 63.200 -0.043 0.000 0.876 237 S HN 0.518 nan 8.310 nan 0.000 0.448 238 I N 0.743 121.235 120.570 -0.130 0.000 2.286 238 I HA -0.177 3.994 4.170 0.001 0.000 0.248 238 I C 1.928 178.003 176.117 -0.070 0.000 1.115 238 I CA 0.866 62.073 61.300 -0.155 0.000 1.392 238 I CB -0.274 37.566 38.000 -0.267 0.000 1.065 238 I HN 0.207 nan 8.210 nan 0.000 0.418 239 L N 0.439 121.605 121.223 -0.095 0.000 2.109 239 L HA -0.140 4.200 4.340 0.001 0.000 0.207 239 L C 2.290 179.204 176.870 0.074 0.000 1.086 239 L CA 1.733 56.554 54.840 -0.031 0.000 0.760 239 L CB -0.610 41.412 42.059 -0.060 0.000 0.910 239 L HN 0.076 nan 8.230 nan 0.000 0.437 240 K N -1.385 119.093 120.400 0.130 0.000 2.217 240 K HA -0.095 4.225 4.320 0.001 0.000 0.202 240 K C 0.483 177.261 176.600 0.297 0.000 1.051 240 K CA 0.065 56.493 56.287 0.234 0.000 0.952 240 K CB -0.109 32.474 32.500 0.137 0.000 0.736 240 K HN -0.004 nan 8.250 nan 0.000 0.453 241 F N 3.495 123.501 119.950 0.094 0.000 2.539 241 F HA -0.119 4.409 4.527 0.001 0.000 0.393 241 F C 0.286 176.087 175.800 0.002 0.000 1.032 241 F CA 0.319 58.335 58.000 0.026 0.000 1.120 241 F CB 0.286 39.277 39.000 -0.015 0.000 1.014 241 F HN 0.003 nan 8.300 nan 0.000 0.546 242 Q N 4.773 124.329 119.800 -0.407 0.000 2.256 242 Q HA 0.135 4.475 4.340 0.001 0.000 0.254 242 Q C -0.289 175.450 176.000 -0.434 0.000 0.916 242 Q CA -0.556 55.010 55.803 -0.395 0.000 0.932 242 Q CB 1.450 29.964 28.738 -0.374 0.000 1.207 242 Q HN 0.610 nan 8.270 nan 0.000 0.426 243 D N 0.880 121.161 120.400 -0.199 0.000 2.414 243 D HA 0.221 4.861 4.640 0.001 0.000 0.251 243 D C 0.984 177.203 176.300 -0.134 0.000 1.252 243 D CA 0.226 54.166 54.000 -0.101 0.000 0.999 243 D CB 0.963 41.752 40.800 -0.017 0.000 1.093 243 D HN 0.515 nan 8.370 nan 0.000 0.515 244 A N 1.016 123.790 122.820 -0.078 0.000 1.903 244 A HA -0.242 4.079 4.320 0.001 0.000 0.219 244 A C 1.363 178.903 177.584 -0.073 0.000 1.191 244 A CA 2.442 54.436 52.037 -0.071 0.000 0.638 244 A CB -0.862 18.115 19.000 -0.038 0.000 0.823 244 A HN 0.730 nan 8.150 nan 0.000 0.451 245 D N -1.843 118.520 120.400 -0.061 0.000 2.358 245 D HA 0.287 4.928 4.640 0.001 0.000 0.241 245 D C 1.198 177.453 176.300 -0.076 0.000 1.094 245 D CA 1.183 55.149 54.000 -0.057 0.000 0.907 245 D CB -0.680 40.095 40.800 -0.040 0.000 0.893 245 D HN 0.871 nan 8.370 nan 0.000 0.528 246 G N 0.049 108.784 108.800 -0.109 0.000 2.640 246 G HA2 -0.327 3.633 3.960 0.001 0.000 0.226 246 G HA3 -0.327 3.633 3.960 0.001 0.000 0.226 246 G C 0.471 175.268 174.900 -0.172 0.000 1.222 246 G CA 0.224 45.243 45.100 -0.135 0.000 0.729 246 G HN 0.405 nan 8.290 nan 0.000 0.516 247 K N 1.621 121.946 120.400 -0.125 0.000 2.455 247 K HA 0.202 4.523 4.320 0.001 0.000 0.269 247 K C 0.304 176.806 176.600 -0.163 0.000 0.972 247 K CA 0.071 56.289 56.287 -0.116 0.000 0.938 247 K CB -0.012 32.464 32.500 -0.041 0.000 0.931 247 K HN 0.648 nan 8.250 nan 0.000 0.507 248 H N 0.624 119.659 119.070 -0.059 0.000 2.732 248 H HA -0.032 4.524 4.556 0.001 0.000 0.351 248 H C 1.138 176.423 175.328 -0.072 0.000 1.090 248 H CA -0.270 55.729 56.048 -0.081 0.000 1.431 248 H CB 0.771 30.429 29.762 -0.174 0.000 1.447 248 H HN 0.359 nan 8.280 nan 0.000 0.582 249 L N 3.413 124.710 121.223 0.123 0.000 2.072 249 L HA -0.085 4.255 4.340 0.001 0.000 0.205 249 L C 1.870 178.742 176.870 0.004 0.000 1.079 249 L CA 1.222 56.118 54.840 0.094 0.000 0.752 249 L CB -0.733 41.468 42.059 0.237 0.000 0.906 249 L HN 0.653 nan 8.230 nan 0.000 0.436 250 L N 1.246 122.439 121.223 -0.051 0.000 1.978 250 L HA -0.134 4.206 4.340 0.001 0.000 0.218 250 L C -0.633 176.176 176.870 -0.103 0.000 1.075 250 L CA 2.371 57.137 54.840 -0.123 0.000 0.767 250 L CB -1.925 40.017 42.059 -0.195 0.000 0.890 250 L HN 0.280 nan 8.230 nan 0.000 0.434 251 P HA -0.142 nan 4.420 nan 0.000 0.239 251 P C 0.739 178.026 177.300 -0.021 0.000 1.184 251 P CA 1.198 64.276 63.100 -0.037 0.000 0.760 251 P CB -0.106 31.578 31.700 -0.026 0.000 0.884 252 K N -0.558 119.825 120.400 -0.028 0.000 2.356 252 K HA 0.163 4.484 4.320 0.001 0.000 0.195 252 K C 1.124 177.709 176.600 -0.024 0.000 1.037 252 K CA 0.050 56.326 56.287 -0.017 0.000 1.014 252 K CB 0.104 32.598 32.500 -0.010 0.000 0.815 252 K HN 0.227 nan 8.250 nan 0.000 0.507 253 I N 2.139 122.686 120.570 -0.039 0.000 2.529 253 I HA 0.042 4.212 4.170 0.001 0.000 0.284 253 I C 0.568 176.659 176.117 -0.043 0.000 1.082 253 I CA -0.442 60.829 61.300 -0.049 0.000 1.406 253 I CB 0.594 38.550 38.000 -0.074 0.000 1.405 253 I HN 0.032 nan 8.210 nan 0.000 0.548 254 R N 5.468 125.943 120.500 -0.041 0.000 2.442 254 R HA 0.018 4.359 4.340 0.001 0.000 0.291 254 R C -0.203 176.069 176.300 -0.046 0.000 1.069 254 R CA -0.430 55.648 56.100 -0.036 0.000 1.022 254 R CB 0.424 30.705 30.300 -0.032 0.000 0.976 254 R HN 0.624 nan 8.270 nan 0.000 0.443 255 D N 2.752 123.129 120.400 -0.040 0.000 2.713 255 D HA 0.049 4.690 4.640 0.001 0.000 0.229 255 D C -1.157 175.119 176.300 -0.040 0.000 1.136 255 D CA -0.195 53.778 54.000 -0.045 0.000 1.010 255 D CB 0.551 41.329 40.800 -0.036 0.000 1.084 255 D HN 0.152 nan 8.370 nan 0.000 0.495 256 S N 0.341 116.013 115.700 -0.047 0.000 2.721 256 S HA 0.544 5.014 4.470 0.001 0.000 0.264 256 S C -0.155 174.409 174.600 -0.060 0.000 1.161 256 S CA -0.845 57.330 58.200 -0.042 0.000 1.113 256 S CB 1.372 64.552 63.200 -0.033 0.000 1.079 256 S HN 0.596 nan 8.310 nan 0.000 0.479 257 A N 2.422 125.199 122.820 -0.070 0.000 2.388 257 A HA 0.753 5.073 4.320 0.001 0.000 0.257 257 A C 0.833 178.360 177.584 -0.095 0.000 1.095 257 A CA -0.065 51.910 52.037 -0.103 0.000 0.791 257 A CB 0.119 19.047 19.000 -0.120 0.000 1.029 257 A HN 0.798 nan 8.150 nan 0.000 0.489 258 G N 0.236 108.965 108.800 -0.117 0.000 2.568 258 G HA2 0.625 4.586 3.960 0.001 0.000 0.293 258 G HA3 0.625 4.586 3.960 0.001 0.000 0.293 258 G C -0.686 174.133 174.900 -0.135 0.000 1.347 258 G CA -0.311 44.729 45.100 -0.100 0.000 1.039 258 G HN 1.203 nan 8.290 nan 0.000 0.523 259 Q N -1.032 118.712 119.800 -0.092 0.000 2.518 259 Q HA 0.272 4.613 4.340 0.001 0.000 0.254 259 Q C -1.618 174.348 176.000 -0.057 0.000 0.962 259 Q CA -0.998 54.771 55.803 -0.058 0.000 0.982 259 Q CB 1.398 30.163 28.738 0.046 0.000 1.516 259 Q HN 0.227 nan 8.270 nan 0.000 0.426 260 K N 1.573 121.926 120.400 -0.077 0.000 3.141 260 K HA 0.276 4.596 4.320 0.001 0.000 0.248 260 K C 1.044 177.482 176.600 -0.271 0.000 1.282 260 K CA 0.351 56.566 56.287 -0.120 0.000 1.251 260 K CB 0.223 32.665 32.500 -0.096 0.000 1.533 260 K HN 1.030 nan 8.250 nan 0.000 0.409 261 G N 0.930 109.541 108.800 -0.314 0.000 2.412 261 G HA2 -0.474 3.487 3.960 0.001 0.000 0.252 261 G HA3 -0.474 3.487 3.960 0.001 0.000 0.252 261 G C 1.327 175.465 174.900 -1.270 0.000 1.038 261 G CA 1.536 46.237 45.100 -0.665 0.000 0.628 261 G HN 0.445 nan 8.290 nan 0.000 0.531 262 T N -0.774 113.111 114.554 -1.115 0.000 2.720 262 T HA 0.081 4.432 4.350 0.001 0.000 0.268 262 T C 2.523 176.765 174.700 -0.765 0.000 1.037 262 T CA 2.021 63.488 62.100 -1.054 0.000 1.144 262 T CB -0.965 67.575 68.868 -0.548 0.000 0.864 262 T HN 1.327 nan 8.240 nan 0.000 0.444 263 G N 1.862 110.097 108.800 -0.942 0.000 2.418 263 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 263 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 263 G C 1.501 176.004 174.900 -0.663 0.000 1.158 263 G CA 0.984 45.347 45.100 -1.227 0.000 0.771 263 G HN 0.593 nan 8.290 nan 0.000 0.545 264 K N -0.392 119.700 120.400 -0.513 0.000 2.009 264 K HA -0.175 4.145 4.320 0.001 0.000 0.210 264 K C 2.227 178.750 176.600 -0.129 0.000 1.049 264 K CA 1.646 57.762 56.287 -0.284 0.000 0.929 264 K CB -0.394 31.966 32.500 -0.234 0.000 0.714 264 K HN 0.370 nan 8.250 nan 0.000 0.440 265 W N 1.554 122.762 121.300 -0.154 0.000 2.342 265 W HA -0.099 4.562 4.660 0.001 0.000 0.297 265 W C 2.346 178.793 176.519 -0.120 0.000 1.213 265 W CA 1.435 58.722 57.345 -0.098 0.000 1.251 265 W CB -1.423 27.995 29.460 -0.070 0.000 1.136 265 W HN 0.209 nan 8.180 nan 0.000 0.526 266 T N 0.602 115.144 114.554 -0.019 0.000 2.684 266 T HA -0.150 4.200 4.350 0.001 0.000 0.267 266 T C 2.070 176.727 174.700 -0.072 0.000 1.036 266 T CA 2.333 64.363 62.100 -0.118 0.000 1.148 266 T CB -0.734 67.989 68.868 -0.242 0.000 0.863 266 T HN 0.140 nan 8.240 nan 0.000 0.436 267 A N 1.400 124.151 122.820 -0.116 0.000 1.930 267 A HA -0.015 4.305 4.320 0.001 0.000 0.217 267 A C 2.263 179.824 177.584 -0.037 0.000 1.175 267 A CA 0.961 52.931 52.037 -0.112 0.000 0.627 267 A CB -0.609 18.261 19.000 -0.217 0.000 0.815 267 A HN 0.413 nan 8.150 nan 0.000 0.443 268 I N 0.288 120.867 120.570 0.015 0.000 2.113 268 I HA -0.199 3.971 4.170 0.001 0.000 0.238 268 I C 2.596 178.749 176.117 0.060 0.000 1.070 268 I CA 1.916 63.246 61.300 0.050 0.000 1.332 268 I CB -1.697 36.367 38.000 0.105 0.000 1.044 268 I HN 0.249 nan 8.210 nan 0.000 0.402 269 S N 1.340 117.121 115.700 0.135 0.000 2.387 269 S HA -0.192 4.279 4.470 0.001 0.000 0.230 269 S C 2.239 176.956 174.600 0.196 0.000 1.035 269 S CA 1.489 59.829 58.200 0.232 0.000 1.014 269 S CB -0.505 62.922 63.200 0.379 0.000 0.836 269 S HN 0.580 nan 8.310 nan 0.000 0.466 270 A N 1.717 124.620 122.820 0.139 0.000 1.877 270 A HA -0.010 4.311 4.320 0.001 0.000 0.216 270 A C 2.047 179.673 177.584 0.070 0.000 1.186 270 A CA 1.113 53.224 52.037 0.124 0.000 0.620 270 A CB -0.661 18.375 19.000 0.060 0.000 0.822 270 A HN 0.369 nan 8.150 nan 0.000 0.443 271 L N 0.070 121.309 121.223 0.026 0.000 2.083 271 L HA -0.152 4.189 4.340 0.001 0.000 0.209 271 L C 2.361 179.205 176.870 -0.044 0.000 1.083 271 L CA 1.945 56.790 54.840 0.009 0.000 0.752 271 L CB -1.477 40.588 42.059 0.011 0.000 0.899 271 L HN 0.526 nan 8.230 nan 0.000 0.433 272 E N -1.494 118.625 120.200 -0.135 0.000 2.072 272 E HA -0.206 4.145 4.350 0.001 0.000 0.191 272 E C 1.444 177.778 176.600 -0.444 0.000 0.985 272 E CA 1.037 57.239 56.400 -0.331 0.000 0.801 272 E CB -0.013 29.364 29.700 -0.539 0.000 0.750 272 E HN 0.429 nan 8.360 nan 0.000 0.452 273 Y N -0.313 120.038 120.300 0.085 0.000 2.461 273 Y HA 0.242 4.793 4.550 0.001 0.000 0.277 273 Y C 1.202 177.129 175.900 0.044 0.000 1.182 273 Y CA 0.317 58.446 58.100 0.048 0.000 1.276 273 Y CB 0.566 39.058 38.460 0.053 0.000 1.087 273 Y HN 0.055 nan 8.280 nan 0.000 0.519 274 G N 0.699 109.561 108.800 0.103 0.000 2.246 274 G HA2 -0.224 3.736 3.960 0.001 0.000 0.273 274 G HA3 -0.224 3.736 3.960 0.001 0.000 0.273 274 G C -0.471 174.502 174.900 0.123 0.000 1.055 274 G CA 0.277 45.435 45.100 0.098 0.000 0.851 274 G HN 0.144 nan 8.290 nan 0.000 0.500 275 V N 1.266 121.259 119.914 0.133 0.000 2.459 275 V HA 0.527 4.648 4.120 0.001 0.000 0.295 275 V C -1.185 174.971 176.094 0.104 0.000 1.029 275 V CA -1.399 60.980 62.300 0.132 0.000 0.874 275 V CB 2.025 33.935 31.823 0.145 0.000 0.985 275 V HN 0.263 nan 8.190 nan 0.000 0.438 276 P HA 0.126 nan 4.420 nan 0.000 0.230 276 P C -0.317 176.956 177.300 -0.045 0.000 1.791 276 P CA 0.010 63.168 63.100 0.096 0.000 1.020 276 P CB 0.375 32.213 31.700 0.229 0.000 1.977 277 V N 3.072 122.958 119.914 -0.046 0.000 2.222 277 V HA 0.022 4.143 4.120 0.001 0.000 0.253 277 V C 2.091 178.127 176.094 -0.096 0.000 1.210 277 V CA 0.386 62.618 62.300 -0.114 0.000 1.079 277 V CB -0.411 31.376 31.823 -0.061 0.000 1.265 277 V HN 0.423 nan 8.190 nan 0.000 0.494 278 T N 0.802 115.286 114.554 -0.116 0.000 2.985 278 T HA -0.055 4.296 4.350 0.001 0.000 0.266 278 T C 1.660 176.358 174.700 -0.004 0.000 1.076 278 T CA 0.843 62.930 62.100 -0.021 0.000 1.135 278 T CB 0.080 68.976 68.868 0.048 0.000 0.890 278 T HN 0.415 nan 8.240 nan 0.000 0.480 279 L N -0.134 121.070 121.223 -0.032 0.000 2.102 279 L HA 0.131 4.471 4.340 0.001 0.000 0.202 279 L C 2.149 179.016 176.870 -0.005 0.000 1.076 279 L CA 0.764 55.618 54.840 0.023 0.000 0.761 279 L CB -0.246 41.840 42.059 0.045 0.000 0.921 279 L HN 0.068 nan 8.230 nan 0.000 0.444 280 I N 0.572 121.106 120.570 -0.060 0.000 2.335 280 I HA -0.199 3.972 4.170 0.001 0.000 0.251 280 I C 2.559 178.602 176.117 -0.123 0.000 1.129 280 I CA 1.401 62.642 61.300 -0.098 0.000 1.402 280 I CB -2.108 35.795 38.000 -0.162 0.000 1.069 280 I HN 0.310 nan 8.210 nan 0.000 0.424 281 G N 0.042 108.766 108.800 -0.127 0.000 2.404 281 G HA2 -0.185 3.776 3.960 0.001 0.000 0.215 281 G HA3 -0.185 3.776 3.960 0.001 0.000 0.215 281 G C 1.560 176.354 174.900 -0.175 0.000 1.174 281 G CA 0.256 45.228 45.100 -0.214 0.000 0.780 281 G HN 0.282 nan 8.290 nan 0.000 0.537 282 E N 0.916 121.120 120.200 0.006 0.000 2.153 282 E HA -0.066 4.285 4.350 0.001 0.000 0.194 282 E C 2.860 179.522 176.600 0.103 0.000 0.988 282 E CA 0.994 57.464 56.400 0.117 0.000 0.811 282 E CB -0.480 29.300 29.700 0.133 0.000 0.746 282 E HN 0.353 nan 8.360 nan 0.000 0.466 283 A N 0.680 123.534 122.820 0.056 0.000 1.855 283 A HA -0.136 4.185 4.320 0.001 0.000 0.215 283 A C 2.613 180.252 177.584 0.092 0.000 1.191 283 A CA 1.564 53.649 52.037 0.080 0.000 0.613 283 A CB -0.720 18.337 19.000 0.094 0.000 0.829 283 A HN 0.143 nan 8.150 nan 0.000 0.442 284 V N -1.003 118.924 119.914 0.020 0.000 2.295 284 V HA -0.231 3.889 4.120 0.001 0.000 0.246 284 V C 2.301 178.423 176.094 0.047 0.000 1.049 284 V CA 1.953 64.254 62.300 0.003 0.000 1.024 284 V CB -1.055 30.641 31.823 -0.213 0.000 0.648 284 V HN 0.521 nan 8.190 nan 0.000 0.447 285 F N 0.748 120.724 119.950 0.045 0.000 2.451 285 F HA 0.005 4.533 4.527 0.001 0.000 0.299 285 F C 2.279 178.097 175.800 0.029 0.000 1.101 285 F CA 0.517 58.538 58.000 0.033 0.000 1.436 285 F CB -1.195 37.824 39.000 0.032 0.000 1.074 285 F HN 0.108 nan 8.300 nan 0.000 0.553 286 A N 0.101 123.040 122.820 0.200 0.000 1.897 286 A HA -0.118 4.202 4.320 0.001 0.000 0.215 286 A C 2.444 180.072 177.584 0.075 0.000 1.181 286 A CA 0.943 53.050 52.037 0.117 0.000 0.620 286 A CB -0.440 18.611 19.000 0.085 0.000 0.821 286 A HN 0.223 nan 8.150 nan 0.000 0.443 287 R N -0.580 119.956 120.500 0.060 0.000 2.073 287 R HA -0.159 4.182 4.340 0.001 0.000 0.234 287 R C 2.243 178.569 176.300 0.044 0.000 1.134 287 R CA 1.681 57.791 56.100 0.016 0.000 0.952 287 R CB -0.858 29.433 30.300 -0.014 0.000 0.850 287 R HN 0.631 nan 8.270 nan 0.000 0.433 288 C N 0.945 120.302 119.300 0.095 0.000 2.411 288 C HA -0.077 4.384 4.460 0.001 0.000 0.279 288 C C 2.629 177.657 174.990 0.064 0.000 1.288 288 C CA 0.302 59.377 59.018 0.094 0.000 1.764 288 C CB -1.064 26.775 27.740 0.165 0.000 1.974 288 C HN 0.483 nan 8.230 nan 0.000 0.498 289 L N 1.790 123.054 121.223 0.069 0.000 2.056 289 L HA -0.126 4.215 4.340 0.001 0.000 0.207 289 L C 2.748 179.633 176.870 0.025 0.000 1.078 289 L CA 2.142 57.007 54.840 0.040 0.000 0.749 289 L CB -0.445 41.643 42.059 0.048 0.000 0.901 289 L HN 0.524 nan 8.230 nan 0.000 0.433 290 S N -1.920 113.792 115.700 0.020 0.000 2.447 290 S HA -0.122 4.348 4.470 0.001 0.000 0.233 290 S C 1.852 176.450 174.600 -0.002 0.000 1.006 290 S CA 1.155 59.357 58.200 0.003 0.000 0.957 290 S CB -0.247 62.947 63.200 -0.011 0.000 0.773 290 S HN 0.419 nan 8.310 nan 0.000 0.507 291 S N 1.577 117.279 115.700 0.003 0.000 2.447 291 S HA 0.182 4.652 4.470 0.001 0.000 0.233 291 S C 0.553 175.154 174.600 0.001 0.000 1.006 291 S CA 0.435 58.634 58.200 -0.001 0.000 0.957 291 S CB -0.299 62.905 63.200 0.005 0.000 0.773 291 S HN 0.375 nan 8.310 nan 0.000 0.507 292 L N 2.299 123.525 121.223 0.005 0.000 2.873 292 L HA 0.292 4.633 4.340 0.001 0.000 0.236 292 L C 1.573 178.444 176.870 0.002 0.000 1.375 292 L CA 0.170 55.012 54.840 0.003 0.000 1.239 292 L CB -0.993 41.068 42.059 0.003 0.000 1.603 292 L HN 0.093 nan 8.230 nan 0.000 0.430 293 K N 0.777 121.176 120.400 -0.001 0.000 2.057 293 K HA -0.150 4.170 4.320 0.001 0.000 0.207 293 K C 0.975 177.574 176.600 -0.000 0.000 1.049 293 K CA 1.336 57.623 56.287 -0.002 0.000 0.931 293 K CB 0.399 32.895 32.500 -0.006 0.000 0.714 293 K HN 0.448 nan 8.250 nan 0.000 0.440 294 D N 0.383 120.782 120.400 -0.001 0.000 2.178 294 D HA -0.155 4.485 4.640 0.001 0.000 0.202 294 D C 1.790 178.090 176.300 0.001 0.000 0.974 294 D CA 0.890 54.890 54.000 -0.000 0.000 0.841 294 D CB 0.091 40.890 40.800 -0.001 0.000 0.953 294 D HN 0.415 nan 8.370 nan 0.000 0.478 295 E N 0.687 120.887 120.200 0.001 0.000 2.072 295 E HA -0.103 4.248 4.350 0.001 0.000 0.191 295 E C 2.211 178.813 176.600 0.003 0.000 0.985 295 E CA 0.483 56.884 56.400 0.001 0.000 0.801 295 E CB 0.242 29.942 29.700 -0.001 0.000 0.750 295 E HN 0.154 nan 8.360 nan 0.000 0.452 296 R N 0.135 120.638 120.500 0.004 0.000 2.081 296 R HA -0.116 4.225 4.340 0.001 0.000 0.235 296 R C 2.424 178.729 176.300 0.009 0.000 1.131 296 R CA 1.148 57.253 56.100 0.008 0.000 0.960 296 R CB -0.333 29.973 30.300 0.010 0.000 0.856 296 R HN 0.245 nan 8.270 nan 0.000 0.436 297 I N 0.761 121.334 120.570 0.007 0.000 2.208 297 I HA -0.295 3.875 4.170 0.001 0.000 0.245 297 I C 2.431 178.551 176.117 0.006 0.000 1.097 297 I CA 1.288 62.592 61.300 0.007 0.000 1.363 297 I CB -0.188 37.814 38.000 0.004 0.000 1.051 297 I HN 0.092 nan 8.210 nan 0.000 0.413 298 Q N 0.488 120.290 119.800 0.004 0.000 2.119 298 Q HA -0.098 4.242 4.340 0.001 0.000 0.201 298 Q C 2.236 178.238 176.000 0.004 0.000 0.972 298 Q CA 1.909 57.714 55.803 0.003 0.000 0.847 298 Q CB -0.368 28.371 28.738 0.001 0.000 0.903 298 Q HN 0.557 nan 8.270 nan 0.000 0.433 299 A N -0.272 122.550 122.820 0.004 0.000 1.872 299 A HA -0.141 4.179 4.320 0.001 0.000 0.214 299 A C 2.163 179.751 177.584 0.007 0.000 1.187 299 A CA 1.679 53.719 52.037 0.005 0.000 0.614 299 A CB -0.849 18.154 19.000 0.005 0.000 0.826 299 A HN 0.481 nan 8.150 nan 0.000 0.442 300 S N 0.378 116.084 115.700 0.010 0.000 2.440 300 S HA -0.196 4.275 4.470 0.001 0.000 0.240 300 S C 1.625 176.231 174.600 0.009 0.000 1.014 300 S CA 1.571 59.778 58.200 0.012 0.000 0.980 300 S CB -0.388 62.820 63.200 0.015 0.000 0.775 300 S HN 0.645 nan 8.310 nan 0.000 0.499 301 K N 0.858 121.262 120.400 0.007 0.000 2.243 301 K HA 0.150 4.470 4.320 0.001 0.000 0.201 301 K C 1.951 178.554 176.600 0.004 0.000 1.051 301 K CA 0.696 56.987 56.287 0.006 0.000 0.970 301 K CB -0.000 32.503 32.500 0.005 0.000 0.755 301 K HN 0.381 nan 8.250 nan 0.000 0.465 302 K N 0.203 120.605 120.400 0.004 0.000 2.365 302 K HA 0.204 4.524 4.320 0.001 0.000 0.195 302 K C 0.330 176.931 176.600 0.003 0.000 1.079 302 K CA 0.112 56.401 56.287 0.003 0.000 0.979 302 K CB 0.609 33.110 32.500 0.001 0.000 0.929 302 K HN 0.007 nan 8.250 nan 0.000 0.523 303 L N 2.383 123.608 121.223 0.004 0.000 2.287 303 L HA 0.296 4.636 4.340 0.001 0.000 0.287 303 L C -0.317 176.556 176.870 0.005 0.000 1.022 303 L CA -0.873 53.970 54.840 0.004 0.000 0.814 303 L CB 1.247 43.308 42.059 0.005 0.000 1.217 303 L HN -0.215 nan 8.230 nan 0.000 0.420 304 K N 1.391 121.794 120.400 0.004 0.000 2.126 304 K HA 0.556 4.876 4.320 0.001 0.000 0.257 304 K C 0.349 176.951 176.600 0.004 0.000 1.007 304 K CA -0.046 56.243 56.287 0.004 0.000 0.928 304 K CB 1.348 33.849 32.500 0.003 0.000 1.013 304 K HN 0.646 nan 8.250 nan 0.000 0.473 305 G N 0.875 109.677 108.800 0.004 0.000 2.795 305 G HA2 0.493 4.453 3.960 0.001 0.000 0.267 305 G HA3 0.493 4.453 3.960 0.001 0.000 0.267 305 G C -2.093 172.808 174.900 0.002 0.000 1.362 305 G CA -0.938 44.164 45.100 0.003 0.000 1.048 305 G HN 0.589 nan 8.290 nan 0.000 0.547 306 P HA 0.103 nan 4.420 nan 0.000 0.269 306 P C -0.297 177.003 177.300 0.001 0.000 1.215 306 P CA -0.270 62.831 63.100 0.001 0.000 0.780 306 P CB 0.785 32.486 31.700 0.001 0.000 0.898 307 Q N 1.913 121.714 119.800 0.001 0.000 2.304 307 Q HA -0.071 4.270 4.340 0.001 0.000 0.301 307 Q C 0.008 176.008 176.000 0.000 0.000 1.063 307 Q CA -0.067 55.737 55.803 0.000 0.000 0.947 307 Q CB 0.175 28.913 28.738 -0.000 0.000 1.201 307 Q HN 0.295 nan 8.270 nan 0.000 0.389 308 N N 4.895 123.595 118.700 0.000 0.000 2.405 308 N HA 0.141 4.882 4.740 0.001 0.000 0.260 308 N C -1.284 174.226 175.510 0.001 0.000 1.152 308 N CA 0.001 53.052 53.050 0.001 0.000 0.948 308 N CB 0.300 38.788 38.487 0.002 0.000 1.111 308 N HN 0.478 nan 8.380 nan 0.000 0.485 309 I N 4.941 125.513 120.570 0.002 0.000 2.406 309 I HA 0.365 4.536 4.170 0.001 0.000 0.290 309 I C -1.578 174.544 176.117 0.009 0.000 0.999 309 I CA -1.905 59.395 61.300 -0.000 0.000 1.124 309 I CB 1.266 39.265 38.000 -0.002 0.000 1.289 309 I HN 0.395 nan 8.210 nan 0.000 0.441 310 P HA 0.018 nan 4.420 nan 0.000 0.281 310 P C -0.800 176.537 177.300 0.063 0.000 1.274 310 P CA -0.026 63.091 63.100 0.028 0.000 0.794 310 P CB 0.374 32.079 31.700 0.008 0.000 1.201 311 F N 0.775 120.674 119.950 -0.086 0.000 2.311 311 F HA 0.219 4.746 4.527 0.001 0.000 0.371 311 F C -0.099 175.642 175.800 -0.098 0.000 1.083 311 F CA -0.846 57.075 58.000 -0.131 0.000 1.113 311 F CB 0.418 39.308 39.000 -0.183 0.000 1.349 311 F HN 0.112 nan 8.300 nan 0.000 0.470 312 E N 4.893 124.805 120.200 -0.479 0.000 1.993 312 E HA 0.610 4.961 4.350 0.001 0.000 0.271 312 E C -0.119 176.040 176.600 -0.736 0.000 1.008 312 E CA -0.522 55.601 56.400 -0.463 0.000 0.814 312 E CB 1.023 30.583 29.700 -0.233 0.000 1.098 312 E HN 0.781 nan 8.360 nan 0.000 0.407 313 G N 1.783 109.938 108.800 -1.075 0.000 2.490 313 G HA2 0.209 4.169 3.960 0.001 0.000 0.308 313 G HA3 0.209 4.169 3.960 0.001 0.000 0.308 313 G C -1.826 172.759 174.900 -0.525 0.000 1.286 313 G CA -0.782 43.760 45.100 -0.932 0.000 0.825 313 G HN 0.348 nan 8.290 nan 0.000 0.479 314 D N -0.362 120.012 120.400 -0.042 0.000 2.303 314 D HA 0.409 5.050 4.640 0.001 0.000 0.236 314 D C 1.257 177.833 176.300 0.459 0.000 1.068 314 D CA -0.551 53.561 54.000 0.187 0.000 0.830 314 D CB 1.675 42.549 40.800 0.123 0.000 1.109 314 D HN 0.318 nan 8.370 nan 0.000 0.496 315 K N 2.672 123.322 120.400 0.416 0.000 2.044 315 K HA -0.195 4.126 4.320 0.001 0.000 0.210 315 K C 1.759 178.513 176.600 0.256 0.000 1.049 315 K CA 1.530 58.024 56.287 0.344 0.000 0.927 315 K CB 0.028 32.657 32.500 0.214 0.000 0.713 315 K HN 0.536 nan 8.250 nan 0.000 0.443 316 K N 0.010 120.525 120.400 0.192 0.000 2.288 316 K HA 0.035 4.355 4.320 0.001 0.000 0.201 316 K C 1.970 178.665 176.600 0.159 0.000 1.048 316 K CA 1.272 57.649 56.287 0.150 0.000 0.956 316 K CB 0.095 32.658 32.500 0.106 0.000 0.746 316 K HN -0.135 nan 8.250 nan 0.000 0.461 317 S N 0.786 116.605 115.700 0.199 0.000 2.377 317 S HA -0.028 4.443 4.470 0.001 0.000 0.223 317 S C 1.411 176.143 174.600 0.221 0.000 1.030 317 S CA 0.588 58.897 58.200 0.182 0.000 0.970 317 S CB -0.340 62.976 63.200 0.193 0.000 0.830 317 S HN 0.345 nan 8.310 nan 0.000 0.473 318 F N 2.196 122.229 119.950 0.138 0.000 2.186 318 F HA 0.008 4.535 4.527 0.001 0.000 0.299 318 F C 1.812 177.642 175.800 0.050 0.000 1.090 318 F CA 0.543 58.593 58.000 0.083 0.000 1.307 318 F CB -0.481 38.505 39.000 -0.022 0.000 1.019 318 F HN 0.130 nan 8.300 nan 0.000 0.489 319 L N 0.511 121.788 121.223 0.091 0.000 2.131 319 L HA -0.162 4.178 4.340 0.001 0.000 0.210 319 L C 2.216 179.114 176.870 0.048 0.000 1.092 319 L CA 1.962 56.852 54.840 0.084 0.000 0.759 319 L CB -0.950 41.207 42.059 0.164 0.000 0.903 319 L HN 0.174 nan 8.230 nan 0.000 0.435 320 E N -0.395 119.804 120.200 -0.003 0.000 2.072 320 E HA -0.184 4.167 4.350 0.001 0.000 0.190 320 E C 1.785 178.260 176.600 -0.208 0.000 0.982 320 E CA 1.434 57.778 56.400 -0.093 0.000 0.803 320 E CB -0.238 29.442 29.700 -0.034 0.000 0.755 320 E HN 0.487 nan 8.360 nan 0.000 0.453 321 D N 0.199 120.485 120.400 -0.191 0.000 2.123 321 D HA -0.147 4.493 4.640 0.001 0.000 0.196 321 D C 2.053 178.137 176.300 -0.360 0.000 0.992 321 D CA 1.215 55.072 54.000 -0.238 0.000 0.833 321 D CB -0.242 40.442 40.800 -0.194 0.000 0.954 321 D HN 0.314 nan 8.370 nan 0.000 0.455 322 I N 0.496 120.787 120.570 -0.464 0.000 2.208 322 I HA -0.251 3.919 4.170 0.001 0.000 0.245 322 I C 2.638 178.474 176.117 -0.467 0.000 1.097 322 I CA 0.853 61.947 61.300 -0.342 0.000 1.363 322 I CB -0.206 37.689 38.000 -0.174 0.000 1.051 322 I HN -0.045 nan 8.210 nan 0.000 0.413 323 R N 1.184 121.232 120.500 -0.754 0.000 2.080 323 R HA -0.188 4.153 4.340 0.001 0.000 0.236 323 R C 2.391 178.276 176.300 -0.693 0.000 1.137 323 R CA 1.436 56.806 56.100 -1.217 0.000 0.943 323 R CB 0.019 29.492 30.300 -1.378 0.000 0.846 323 R HN 0.168 nan 8.270 nan 0.000 0.431 324 K N 0.289 120.395 120.400 -0.490 0.000 2.009 324 K HA -0.123 4.197 4.320 0.001 0.000 0.210 324 K C 2.041 178.365 176.600 -0.459 0.000 1.049 324 K CA 1.572 57.649 56.287 -0.349 0.000 0.929 324 K CB -0.674 31.682 32.500 -0.240 0.000 0.714 324 K HN 0.265 nan 8.250 nan 0.000 0.440 325 A N 1.691 124.205 122.820 -0.510 0.000 1.940 325 A HA -0.150 4.171 4.320 0.001 0.000 0.219 325 A C 2.319 179.286 177.584 -1.027 0.000 1.176 325 A CA 1.327 52.889 52.037 -0.791 0.000 0.631 325 A CB -0.654 17.982 19.000 -0.607 0.000 0.814 325 A HN 0.258 nan 8.150 nan 0.000 0.446 326 L N -2.089 118.745 121.223 -0.648 0.000 2.027 326 L HA -0.165 4.176 4.340 0.001 0.000 0.206 326 L C 2.541 179.212 176.870 -0.331 0.000 1.074 326 L CA 1.965 56.599 54.840 -0.344 0.000 0.745 326 L CB -0.424 41.548 42.059 -0.145 0.000 0.898 326 L HN 0.557 nan 8.230 nan 0.000 0.433 327 Y N 0.547 120.533 120.300 -0.523 0.000 2.145 327 Y HA -0.278 4.272 4.550 0.001 0.000 0.286 327 Y C 2.362 177.962 175.900 -0.500 0.000 1.145 327 Y CA 1.284 59.100 58.100 -0.473 0.000 1.148 327 Y CB -0.753 37.451 38.460 -0.425 0.000 0.981 327 Y HN 0.246 nan 8.280 nan 0.000 0.507 328 A N -0.718 121.634 122.820 -0.781 0.000 1.858 328 A HA -0.192 4.129 4.320 0.001 0.000 0.216 328 A C 2.481 179.473 177.584 -0.987 0.000 1.190 328 A CA 2.262 53.624 52.037 -1.125 0.000 0.617 328 A CB -1.246 16.692 19.000 -1.769 0.000 0.827 328 A HN 0.470 nan 8.150 nan 0.000 0.443 329 S N -0.516 114.613 115.700 -0.951 0.000 2.399 329 S HA -0.160 4.311 4.470 0.001 0.000 0.231 329 S C 1.927 176.467 174.600 -0.101 0.000 1.022 329 S CA 1.588 59.580 58.200 -0.346 0.000 0.983 329 S CB -0.237 62.868 63.200 -0.158 0.000 0.803 329 S HN 0.662 nan 8.310 nan 0.000 0.480 330 K N 1.310 121.617 120.400 -0.155 0.000 2.063 330 K HA -0.055 4.266 4.320 0.001 0.000 0.208 330 K C 1.899 178.595 176.600 0.160 0.000 1.048 330 K CA 1.313 57.590 56.287 -0.015 0.000 0.928 330 K CB -0.276 32.057 32.500 -0.278 0.000 0.713 330 K HN 0.310 nan 8.250 nan 0.000 0.442 331 I N 1.113 121.689 120.570 0.009 0.000 2.226 331 I HA -0.290 3.880 4.170 0.001 0.000 0.245 331 I C 2.093 178.346 176.117 0.226 0.000 1.100 331 I CA 0.734 62.168 61.300 0.224 0.000 1.374 331 I CB -0.319 37.706 38.000 0.042 0.000 1.057 331 I HN 0.200 nan 8.210 nan 0.000 0.413 332 I N 0.304 120.967 120.570 0.155 0.000 2.179 332 I HA -0.292 3.878 4.170 0.001 0.000 0.242 332 I C 2.805 179.008 176.117 0.143 0.000 1.088 332 I CA 1.560 62.988 61.300 0.213 0.000 1.357 332 I CB -1.415 36.769 38.000 0.308 0.000 1.051 332 I HN 0.221 nan 8.210 nan 0.000 0.409 333 S N -0.049 115.758 115.700 0.178 0.000 2.383 333 S HA -0.210 4.261 4.470 0.001 0.000 0.229 333 S C 2.173 176.838 174.600 0.108 0.000 1.030 333 S CA 1.344 59.608 58.200 0.106 0.000 1.002 333 S CB -0.305 62.977 63.200 0.136 0.000 0.829 333 S HN 0.365 nan 8.310 nan 0.000 0.467 334 Y N 1.446 121.858 120.300 0.187 0.000 2.263 334 Y HA 0.168 4.719 4.550 0.001 0.000 0.292 334 Y C 2.683 178.743 175.900 0.265 0.000 1.130 334 Y CA 0.594 58.873 58.100 0.299 0.000 1.179 334 Y CB -0.937 37.745 38.460 0.371 0.000 0.998 334 Y HN 0.347 nan 8.280 nan 0.000 0.532 335 A N 0.020 122.989 122.820 0.249 0.000 1.902 335 A HA -0.250 4.071 4.320 0.001 0.000 0.217 335 A C 2.097 179.747 177.584 0.110 0.000 1.181 335 A CA 1.795 53.911 52.037 0.132 0.000 0.623 335 A CB -0.693 18.350 19.000 0.072 0.000 0.818 335 A HN 0.527 nan 8.150 nan 0.000 0.443 336 Q N -0.685 119.107 119.800 -0.012 0.000 2.170 336 Q HA -0.111 4.229 4.340 0.001 0.000 0.203 336 Q C 2.174 178.181 176.000 0.011 0.000 0.976 336 Q CA 1.069 56.801 55.803 -0.118 0.000 0.858 336 Q CB -0.410 28.148 28.738 -0.299 0.000 0.907 336 Q HN 0.700 nan 8.270 nan 0.000 0.433 337 G N 0.432 109.275 108.800 0.071 0.000 2.453 337 G HA2 -0.233 3.728 3.960 0.001 0.000 0.215 337 G HA3 -0.233 3.728 3.960 0.001 0.000 0.215 337 G C 0.968 175.944 174.900 0.126 0.000 1.201 337 G CA 0.451 45.597 45.100 0.076 0.000 0.784 337 G HN 0.240 nan 8.290 nan 0.000 0.545 338 F N 0.538 120.546 119.950 0.097 0.000 2.451 338 F HA 0.176 4.703 4.527 0.000 0.000 0.299 338 F C 2.805 178.628 175.800 0.037 0.000 1.101 338 F CA 0.663 58.710 58.000 0.078 0.000 1.436 338 F CB -0.097 38.950 39.000 0.079 0.000 1.074 338 F HN 0.051 nan 8.300 nan 0.000 0.553 339 M N -0.681 119.042 119.600 0.205 0.000 2.067 339 M HA -0.239 4.241 4.480 0.001 0.000 0.260 339 M C 2.394 178.773 176.300 0.131 0.000 1.069 339 M CA 1.624 57.005 55.300 0.135 0.000 1.117 339 M CB -0.688 31.981 32.600 0.114 0.000 1.334 339 M HN 0.172 nan 8.290 nan 0.000 0.407 340 L N 0.285 121.594 121.223 0.142 0.000 2.043 340 L HA -0.273 4.067 4.340 0.001 0.000 0.212 340 L C 2.362 179.367 176.870 0.224 0.000 1.075 340 L CA 1.237 56.193 54.840 0.192 0.000 0.752 340 L CB -0.211 41.971 42.059 0.206 0.000 0.891 340 L HN 0.290 nan 8.230 nan 0.000 0.432 341 L N -0.115 121.233 121.223 0.209 0.000 2.046 341 L HA -0.234 4.107 4.340 0.001 0.000 0.208 341 L C 2.718 179.727 176.870 0.231 0.000 1.077 341 L CA 1.714 56.686 54.840 0.219 0.000 0.747 341 L CB -0.858 41.282 42.059 0.135 0.000 0.896 341 L HN 0.222 nan 8.230 nan 0.000 0.432 342 R N -1.168 119.459 120.500 0.211 0.000 2.081 342 R HA -0.231 4.110 4.340 0.001 0.000 0.235 342 R C 2.308 178.646 176.300 0.063 0.000 1.131 342 R CA 1.559 57.758 56.100 0.167 0.000 0.960 342 R CB -0.109 30.203 30.300 0.021 0.000 0.856 342 R HN 0.302 nan 8.270 nan 0.000 0.436 343 Q N 0.278 120.092 119.800 0.024 0.000 2.084 343 Q HA -0.075 4.266 4.340 0.001 0.000 0.202 343 Q C 1.782 177.629 176.000 -0.255 0.000 0.978 343 Q CA 2.144 57.908 55.803 -0.064 0.000 0.844 343 Q CB -0.323 28.422 28.738 0.012 0.000 0.898 343 Q HN 0.422 nan 8.270 nan 0.000 0.426 344 A N 0.417 123.073 122.820 -0.273 0.000 1.865 344 A HA -0.100 4.221 4.320 0.001 0.000 0.217 344 A C 2.332 179.592 177.584 -0.540 0.000 1.191 344 A CA 2.174 53.882 52.037 -0.548 0.000 0.623 344 A CB -1.373 17.194 19.000 -0.723 0.000 0.826 344 A HN 0.528 nan 8.150 nan 0.000 0.444 345 A N -0.314 122.379 122.820 -0.212 0.000 1.917 345 A HA -0.188 4.133 4.320 0.001 0.000 0.219 345 A C 2.444 179.893 177.584 -0.226 0.000 1.182 345 A CA 2.919 54.903 52.037 -0.088 0.000 0.633 345 A CB -1.501 17.562 19.000 0.105 0.000 0.819 345 A HN 0.848 nan 8.150 nan 0.000 0.448 346 T N -3.041 111.383 114.554 -0.218 0.000 2.985 346 T HA -0.024 4.326 4.350 0.001 0.000 0.266 346 T C 1.603 176.062 174.700 -0.402 0.000 1.076 346 T CA 1.498 63.460 62.100 -0.231 0.000 1.135 346 T CB -0.115 68.671 68.868 -0.137 0.000 0.890 346 T HN 0.473 nan 8.240 nan 0.000 0.480 347 E N -0.059 119.742 120.200 -0.666 0.000 2.299 347 E HA 0.176 4.526 4.350 0.001 0.000 0.193 347 E C 0.747 176.681 176.600 -1.110 0.000 0.998 347 E CA 0.546 56.395 56.400 -0.919 0.000 0.851 347 E CB -0.100 28.782 29.700 -1.363 0.000 0.795 347 E HN 0.654 nan 8.360 nan 0.000 0.492 348 F N -1.396 118.076 119.950 -0.797 0.000 2.724 348 F HA 0.371 4.898 4.527 0.000 0.000 0.306 348 F C 1.238 176.612 175.800 -0.711 0.000 1.100 348 F CA 0.319 57.786 58.000 -0.888 0.000 1.255 348 F CB 1.074 39.076 39.000 -1.665 0.000 1.072 348 F HN 0.013 nan 8.300 nan 0.000 0.589 349 G N 0.112 108.651 108.800 -0.436 0.000 2.248 349 G HA2 -0.242 3.719 3.960 0.001 0.000 0.263 349 G HA3 -0.242 3.719 3.960 0.001 0.000 0.263 349 G C -0.403 174.474 174.900 -0.039 0.000 1.082 349 G CA -0.549 44.439 45.100 -0.186 0.000 0.863 349 G HN 0.128 nan 8.290 nan 0.000 0.495 350 W N -0.176 121.103 121.300 -0.035 0.000 2.512 350 W HA 0.636 5.296 4.660 -0.000 0.000 0.335 350 W C 0.453 176.918 176.519 -0.090 0.000 1.088 350 W CA -0.840 56.461 57.345 -0.073 0.000 1.236 350 W CB 1.183 30.562 29.460 -0.135 0.000 1.307 350 W HN 0.090 nan 8.180 nan 0.000 0.567 351 T N 4.418 119.050 114.554 0.130 0.000 3.316 351 T HA 0.355 4.706 4.350 0.001 0.000 0.341 351 T C 0.414 175.066 174.700 -0.080 0.000 1.397 351 T CA -0.414 61.702 62.100 0.028 0.000 1.085 351 T CB -0.429 68.453 68.868 0.023 0.000 1.160 351 T HN -0.021 nan 8.240 nan 0.000 0.694 352 L N 2.962 124.079 121.223 -0.177 0.000 2.426 352 L HA 0.335 4.675 4.340 0.001 0.000 0.271 352 L C 0.861 177.359 176.870 -0.621 0.000 1.169 352 L CA -0.651 53.923 54.840 -0.443 0.000 0.836 352 L CB 0.327 42.021 42.059 -0.609 0.000 1.112 352 L HN 0.422 nan 8.230 nan 0.000 0.465 353 N N 1.734 120.119 118.700 -0.524 0.000 2.485 353 N HA 0.122 4.863 4.740 0.001 0.000 0.243 353 N C 0.212 175.404 175.510 -0.530 0.000 0.987 353 N CA -0.253 52.556 53.050 -0.402 0.000 0.940 353 N CB 0.690 39.052 38.487 -0.208 0.000 1.122 353 N HN 0.335 nan 8.380 nan 0.000 0.509 354 Y N 1.867 122.010 120.300 -0.262 0.000 2.314 354 Y HA 0.108 4.658 4.550 0.001 0.000 0.293 354 Y C 2.259 177.914 175.900 -0.409 0.000 1.129 354 Y CA 1.212 59.038 58.100 -0.458 0.000 1.201 354 Y CB -0.251 37.608 38.460 -1.002 0.000 0.999 354 Y HN 0.648 nan 8.280 nan 0.000 0.541 355 G N -0.185 108.540 108.800 -0.125 0.000 2.408 355 G HA2 -0.159 3.801 3.960 0.001 0.000 0.217 355 G HA3 -0.159 3.801 3.960 0.001 0.000 0.217 355 G C 2.001 176.871 174.900 -0.050 0.000 1.150 355 G CA 0.849 45.952 45.100 0.005 0.000 0.776 355 G HN 0.508 nan 8.290 nan 0.000 0.542 356 G N 1.232 109.964 108.800 -0.114 0.000 2.433 356 G HA2 -0.172 3.788 3.960 0.001 0.000 0.216 356 G HA3 -0.172 3.788 3.960 0.001 0.000 0.216 356 G C 1.764 176.537 174.900 -0.211 0.000 1.186 356 G CA 0.814 45.833 45.100 -0.136 0.000 0.779 356 G HN 0.411 nan 8.290 nan 0.000 0.543 357 I N 1.601 121.965 120.570 -0.344 0.000 2.194 357 I HA -0.278 3.892 4.170 0.001 0.000 0.246 357 I C 3.288 179.050 176.117 -0.590 0.000 1.093 357 I CA 1.196 62.142 61.300 -0.590 0.000 1.355 357 I CB -0.182 37.377 38.000 -0.735 0.000 1.046 357 I HN 0.257 nan 8.210 nan 0.000 0.413 358 A N 0.305 122.983 122.820 -0.237 0.000 1.933 358 A HA -0.186 4.135 4.320 0.001 0.000 0.218 358 A C 2.383 180.016 177.584 0.082 0.000 1.175 358 A CA 1.356 53.413 52.037 0.034 0.000 0.628 358 A CB -0.733 18.351 19.000 0.141 0.000 0.814 358 A HN 0.463 nan 8.150 nan 0.000 0.444 359 L N -1.148 120.084 121.223 0.015 0.000 2.056 359 L HA -0.110 4.230 4.340 0.001 0.000 0.207 359 L C 2.560 179.472 176.870 0.070 0.000 1.078 359 L CA 1.485 56.357 54.840 0.053 0.000 0.749 359 L CB -0.258 41.817 42.059 0.026 0.000 0.901 359 L HN 0.424 nan 8.230 nan 0.000 0.433 360 M N -1.649 117.947 119.600 -0.006 0.000 2.446 360 M HA -0.231 4.249 4.480 0.001 0.000 0.263 360 M C 0.967 177.434 176.300 0.280 0.000 1.066 360 M CA 1.358 56.686 55.300 0.046 0.000 1.087 360 M CB -0.137 32.415 32.600 -0.079 0.000 1.406 360 M HN 0.358 nan 8.290 nan 0.000 0.459 361 W N -1.209 120.131 121.300 0.067 0.000 3.127 361 W HA 0.246 4.907 4.660 0.002 0.000 0.344 361 W C 1.900 178.503 176.519 0.139 0.000 1.151 361 W CA -0.283 57.130 57.345 0.114 0.000 1.765 361 W CB -0.606 28.977 29.460 0.206 0.000 1.085 361 W HN 0.181 nan 8.180 nan 0.000 0.596 362 R N 0.225 120.912 120.500 0.311 0.000 2.275 362 R HA 0.196 4.537 4.340 0.001 0.000 0.199 362 R C 0.774 177.173 176.300 0.164 0.000 0.989 362 R CA 0.791 57.028 56.100 0.230 0.000 1.016 362 R CB 0.035 30.437 30.300 0.171 0.000 0.918 362 R HN 0.038 nan 8.270 nan 0.000 0.473 363 G N -2.800 106.083 108.800 0.138 0.000 2.642 363 G HA2 0.455 4.416 3.960 0.001 0.000 0.293 363 G HA3 0.455 4.416 3.960 0.001 0.000 0.293 363 G C 0.228 175.153 174.900 0.042 0.000 1.341 363 G CA -0.144 45.004 45.100 0.080 0.000 0.916 363 G HN 0.121 nan 8.290 nan 0.000 0.474 364 G N -0.885 107.909 108.800 -0.010 0.000 3.639 364 G HA2 -0.274 3.687 3.960 0.001 0.000 0.224 364 G HA3 -0.274 3.687 3.960 0.001 0.000 0.224 364 G C 1.484 176.313 174.900 -0.117 0.000 1.339 364 G CA 1.331 46.397 45.100 -0.057 0.000 0.933 364 G HN 2.297 nan 8.290 nan 0.000 0.568 365 C N 1.167 120.417 119.300 -0.083 0.000 2.705 365 C HA 0.667 5.127 4.460 0.001 0.000 0.382 365 C C 2.233 177.192 174.990 -0.052 0.000 1.322 365 C CA 0.010 58.960 59.018 -0.113 0.000 2.290 365 C CB -0.225 27.412 27.740 -0.171 0.000 2.650 365 C HN 0.597 nan 8.230 nan 0.000 0.695 366 I N 2.047 122.651 120.570 0.057 0.000 2.394 366 I HA -0.136 4.035 4.170 0.001 0.000 0.251 366 I C 2.163 178.448 176.117 0.279 0.000 1.136 366 I CA 1.592 62.985 61.300 0.155 0.000 1.425 366 I CB -0.292 37.832 38.000 0.207 0.000 1.079 366 I HN 0.796 nan 8.210 nan 0.000 0.425 367 I N 0.277 120.996 120.570 0.247 0.000 3.646 367 I HA 0.044 4.215 4.170 0.001 0.000 0.301 367 I C 1.159 177.456 176.117 0.300 0.000 1.276 367 I CA -0.344 61.095 61.300 0.233 0.000 1.254 367 I CB -0.697 37.373 38.000 0.115 0.000 1.020 367 I HN 0.155 nan 8.210 nan 0.000 0.473 368 R N 2.559 123.216 120.500 0.262 0.000 2.640 368 R HA 0.367 4.708 4.340 0.001 0.000 0.270 368 R C -0.462 176.003 176.300 0.274 0.000 1.024 368 R CA 0.370 56.621 56.100 0.252 0.000 1.085 368 R CB 0.240 30.634 30.300 0.156 0.000 0.963 368 R HN 0.464 nan 8.270 nan 0.000 0.426 369 S N 0.581 116.441 115.700 0.266 0.000 2.636 369 S HA 0.129 4.600 4.470 0.001 0.000 0.266 369 S C 0.479 175.219 174.600 0.232 0.000 1.147 369 S CA -0.729 57.620 58.200 0.249 0.000 0.815 369 S CB 1.080 64.447 63.200 0.279 0.000 1.119 369 S HN 0.234 nan 8.310 nan 0.000 0.470 370 V N 0.650 120.686 119.914 0.204 0.000 2.358 370 V HA -0.060 4.060 4.120 0.001 0.000 0.246 370 V C 2.023 178.242 176.094 0.208 0.000 1.047 370 V CA 2.305 64.704 62.300 0.166 0.000 1.035 370 V CB -1.136 30.764 31.823 0.128 0.000 0.658 370 V HN 0.788 nan 8.190 nan 0.000 0.452 371 F N 0.425 120.431 119.950 0.095 0.000 2.085 371 F HA -0.276 4.252 4.527 0.001 0.000 0.299 371 F C 2.154 178.029 175.800 0.126 0.000 1.096 371 F CA 1.710 59.781 58.000 0.118 0.000 1.227 371 F CB -0.363 38.692 39.000 0.093 0.000 0.983 371 F HN 0.021 nan 8.300 nan 0.000 0.482 372 L N 0.188 121.517 121.223 0.177 0.000 2.127 372 L HA -0.185 4.156 4.340 0.001 0.000 0.211 372 L C 2.725 179.637 176.870 0.070 0.000 1.089 372 L CA 1.899 56.824 54.840 0.142 0.000 0.757 372 L CB -2.335 39.903 42.059 0.299 0.000 0.899 372 L HN 0.396 nan 8.230 nan 0.000 0.434 373 G N -0.444 108.394 108.800 0.063 0.000 2.418 373 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 373 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 373 G C 1.754 176.618 174.900 -0.059 0.000 1.158 373 G CA 0.569 45.679 45.100 0.017 0.000 0.771 373 G HN 0.245 nan 8.290 nan 0.000 0.545 374 K N 0.130 120.447 120.400 -0.138 0.000 2.211 374 K HA 0.192 4.512 4.320 0.001 0.000 0.203 374 K C 2.310 178.874 176.600 -0.059 0.000 1.050 374 K CA 0.341 56.438 56.287 -0.316 0.000 0.945 374 K CB -0.239 31.875 32.500 -0.644 0.000 0.732 374 K HN 0.393 nan 8.250 nan 0.000 0.451 375 I N 0.457 121.020 120.570 -0.011 0.000 2.202 375 I HA -0.254 3.917 4.170 0.001 0.000 0.242 375 I C 2.325 178.492 176.117 0.083 0.000 1.091 375 I CA 0.866 62.149 61.300 -0.028 0.000 1.368 375 I CB -0.223 37.654 38.000 -0.205 0.000 1.058 375 I HN 0.103 nan 8.210 nan 0.000 0.410 376 K N 1.296 121.742 120.400 0.078 0.000 2.059 376 K HA -0.256 4.064 4.320 0.001 0.000 0.212 376 K C 1.588 178.250 176.600 0.103 0.000 1.050 376 K CA 2.059 58.414 56.287 0.112 0.000 0.927 376 K CB -0.537 32.003 32.500 0.067 0.000 0.714 376 K HN 0.243 nan 8.250 nan 0.000 0.447 377 D N 0.091 120.508 120.400 0.027 0.000 2.133 377 D HA -0.183 4.457 4.640 0.001 0.000 0.192 377 D C 1.767 178.070 176.300 0.005 0.000 1.001 377 D CA 1.798 55.793 54.000 -0.008 0.000 0.844 377 D CB -0.323 40.422 40.800 -0.092 0.000 0.944 377 D HN 0.335 nan 8.370 nan 0.000 0.447 378 A N -0.004 122.815 122.820 -0.001 0.000 1.883 378 A HA -0.177 4.143 4.320 0.001 0.000 0.217 378 A C 2.007 179.474 177.584 -0.195 0.000 1.186 378 A CA 1.237 53.204 52.037 -0.117 0.000 0.624 378 A CB -1.019 17.843 19.000 -0.229 0.000 0.822 378 A HN 0.231 nan 8.150 nan 0.000 0.444 379 F N 0.181 120.117 119.950 -0.023 0.000 2.661 379 F HA -0.002 4.526 4.527 0.001 0.000 0.298 379 F C 1.690 177.508 175.800 0.029 0.000 1.137 379 F CA 0.830 58.837 58.000 0.011 0.000 1.454 379 F CB 0.003 39.026 39.000 0.038 0.000 1.103 379 F HN 0.194 nan 8.300 nan 0.000 0.577 380 D N -0.096 120.398 120.400 0.156 0.000 2.137 380 D HA -0.042 4.599 4.640 0.001 0.000 0.202 380 D C 2.286 178.624 176.300 0.063 0.000 0.970 380 D CA 0.869 54.929 54.000 0.099 0.000 0.837 380 D CB -0.267 40.573 40.800 0.067 0.000 0.981 380 D HN 0.179 nan 8.370 nan 0.000 0.475 381 R N 0.026 120.546 120.500 0.034 0.000 2.096 381 R HA -0.039 4.302 4.340 0.001 0.000 0.235 381 R C 0.440 176.748 176.300 0.014 0.000 1.127 381 R CA 0.815 56.924 56.100 0.014 0.000 0.968 381 R CB 0.007 30.304 30.300 -0.005 0.000 0.861 381 R HN -0.004 nan 8.270 nan 0.000 0.440 382 N N -0.752 117.951 118.700 0.005 0.000 2.653 382 N HA 0.158 4.898 4.740 0.001 0.000 0.261 382 N C -2.476 173.078 175.510 0.072 0.000 1.216 382 N CA -1.902 51.154 53.050 0.011 0.000 0.784 382 N CB 1.644 40.106 38.487 -0.042 0.000 1.327 382 N HN -0.259 nan 8.380 nan 0.000 0.539 383 P HA 0.007 nan 4.420 nan 0.000 0.221 383 P C 0.983 178.445 177.300 0.270 0.000 1.145 383 P CA 0.990 64.250 63.100 0.266 0.000 0.795 383 P CB 0.257 32.068 31.700 0.185 0.000 0.775 384 G N -1.312 107.578 108.800 0.149 0.000 3.141 384 G HA2 0.053 4.014 3.960 0.001 0.000 0.218 384 G HA3 0.053 4.014 3.960 0.001 0.000 0.218 384 G C 0.208 175.149 174.900 0.069 0.000 1.170 384 G CA -0.196 44.976 45.100 0.120 0.000 0.769 384 G HN 0.181 nan 8.290 nan 0.000 0.546 385 L N 0.939 122.167 121.223 0.009 0.000 2.601 385 L HA 0.058 4.399 4.340 0.001 0.000 0.277 385 L C 1.701 178.541 176.870 -0.051 0.000 1.219 385 L CA 0.465 55.240 54.840 -0.108 0.000 0.915 385 L CB 0.794 42.619 42.059 -0.389 0.000 1.160 385 L HN 0.284 nan 8.230 nan 0.000 0.494 386 Q N 3.421 123.208 119.800 -0.021 0.000 2.212 386 Q HA -0.013 4.327 4.340 0.001 0.000 0.199 386 Q C 0.071 176.096 176.000 0.041 0.000 0.950 386 Q CA 0.690 56.508 55.803 0.024 0.000 0.863 386 Q CB 0.314 29.082 28.738 0.050 0.000 0.944 386 Q HN 0.789 nan 8.270 nan 0.000 0.465 387 N N -0.680 118.033 118.700 0.022 0.000 2.367 387 N HA 0.018 4.758 4.740 0.001 0.000 0.278 387 N C -0.294 175.181 175.510 -0.058 0.000 1.117 387 N CA -0.172 52.901 53.050 0.039 0.000 0.867 387 N CB 1.553 40.129 38.487 0.148 0.000 1.649 387 N HN 0.132 nan 8.380 nan 0.000 0.479 388 L N 3.658 124.806 121.223 -0.125 0.000 2.201 388 L HA 0.154 4.494 4.340 0.001 0.000 0.212 388 L C 1.940 178.727 176.870 -0.139 0.000 1.105 388 L CA 1.421 56.080 54.840 -0.301 0.000 0.775 388 L CB -0.311 41.479 42.059 -0.449 0.000 0.913 388 L HN 0.682 nan 8.230 nan 0.000 0.440 389 L N -1.558 119.670 121.223 0.009 0.000 2.265 389 L HA -0.211 4.130 4.340 0.001 0.000 0.215 389 L C 2.026 179.012 176.870 0.193 0.000 1.117 389 L CA 0.294 55.230 54.840 0.161 0.000 0.782 389 L CB -0.465 41.726 42.059 0.219 0.000 0.914 389 L HN 0.269 nan 8.230 nan 0.000 0.441 390 L N -0.583 120.723 121.223 0.139 0.000 2.313 390 L HA -0.028 4.312 4.340 0.001 0.000 0.214 390 L C 0.871 177.796 176.870 0.091 0.000 1.119 390 L CA 0.842 55.751 54.840 0.114 0.000 0.809 390 L CB -0.977 41.130 42.059 0.080 0.000 0.933 390 L HN 0.201 nan 8.230 nan 0.000 0.449 391 D N -0.704 119.757 120.400 0.102 0.000 2.424 391 D HA -0.069 4.571 4.640 0.001 0.000 0.244 391 D C 1.147 177.549 176.300 0.171 0.000 1.134 391 D CA 0.102 54.181 54.000 0.131 0.000 0.881 391 D CB 0.810 41.744 40.800 0.223 0.000 1.191 391 D HN 0.054 nan 8.370 nan 0.000 0.445 392 D N 2.963 123.423 120.400 0.101 0.000 2.116 392 D HA -0.235 4.405 4.640 0.001 0.000 0.193 392 D C 1.612 177.930 176.300 0.031 0.000 0.998 392 D CA 1.018 55.055 54.000 0.062 0.000 0.836 392 D CB -0.257 40.568 40.800 0.042 0.000 0.951 392 D HN 0.521 nan 8.370 nan 0.000 0.449 393 F N 0.826 120.686 119.950 -0.150 0.000 2.095 393 F HA -0.248 4.280 4.527 0.001 0.000 0.298 393 F C 2.087 177.621 175.800 -0.444 0.000 1.104 393 F CA 1.476 59.259 58.000 -0.361 0.000 1.232 393 F CB -0.410 38.218 39.000 -0.621 0.000 0.987 393 F HN -0.164 nan 8.300 nan 0.000 0.475 394 F N 0.883 120.874 119.950 0.069 0.000 2.206 394 F HA -0.066 4.461 4.527 0.001 0.000 0.298 394 F C 2.292 178.042 175.800 -0.083 0.000 1.090 394 F CA 1.342 59.319 58.000 -0.039 0.000 1.323 394 F CB -0.906 38.121 39.000 0.046 0.000 1.028 394 F HN -0.014 nan 8.300 nan 0.000 0.492 395 K N 0.118 120.579 120.400 0.103 0.000 2.097 395 K HA -0.062 4.258 4.320 0.001 0.000 0.205 395 K C 1.698 178.290 176.600 -0.013 0.000 1.050 395 K CA 1.865 58.205 56.287 0.087 0.000 0.938 395 K CB -1.228 31.336 32.500 0.108 0.000 0.718 395 K HN 0.008 nan 8.250 nan 0.000 0.442 396 S N 1.138 116.776 115.700 -0.103 0.000 2.368 396 S HA -0.050 4.420 4.470 0.001 0.000 0.224 396 S C 2.236 176.704 174.600 -0.220 0.000 1.029 396 S CA 0.983 59.090 58.200 -0.154 0.000 0.988 396 S CB -0.661 62.422 63.200 -0.196 0.000 0.838 396 S HN 0.542 nan 8.310 nan 0.000 0.462 397 A N 1.841 124.440 122.820 -0.369 0.000 1.883 397 A HA -0.119 4.202 4.320 0.001 0.000 0.217 397 A C 2.487 179.922 177.584 -0.248 0.000 1.186 397 A CA 2.122 53.940 52.037 -0.366 0.000 0.624 397 A CB -1.190 17.482 19.000 -0.547 0.000 0.822 397 A HN 0.535 nan 8.150 nan 0.000 0.444 398 V N -0.728 119.062 119.914 -0.206 0.000 2.453 398 V HA -0.212 3.909 4.120 0.001 0.000 0.247 398 V C 2.174 178.209 176.094 -0.099 0.000 1.048 398 V CA 1.941 64.118 62.300 -0.205 0.000 1.049 398 V CB -1.350 30.332 31.823 -0.234 0.000 0.672 398 V HN 0.791 nan 8.190 nan 0.000 0.457 399 E N 0.933 121.113 120.200 -0.033 0.000 2.150 399 E HA -0.263 4.088 4.350 0.001 0.000 0.193 399 E C 2.066 178.661 176.600 -0.008 0.000 0.985 399 E CA 1.492 57.903 56.400 0.019 0.000 0.814 399 E CB -0.725 29.000 29.700 0.041 0.000 0.752 399 E HN 0.699 nan 8.360 nan 0.000 0.466 400 N N 0.339 119.010 118.700 -0.049 0.000 2.223 400 N HA -0.102 4.638 4.740 0.001 0.000 0.185 400 N C 1.017 176.501 175.510 -0.044 0.000 1.016 400 N CA 1.394 54.413 53.050 -0.052 0.000 0.863 400 N CB -0.007 38.430 38.487 -0.082 0.000 0.983 400 N HN 0.295 nan 8.380 nan 0.000 0.429 401 C N 0.752 120.018 119.300 -0.056 0.000 2.791 401 C HA 0.221 4.682 4.460 0.001 0.000 0.270 401 C C 2.284 177.312 174.990 0.062 0.000 1.257 401 C CA -0.655 58.333 59.018 -0.049 0.000 1.699 401 C CB -0.235 27.405 27.740 -0.167 0.000 1.904 401 C HN 0.398 nan 8.230 nan 0.000 0.603 402 Q N 2.296 122.148 119.800 0.087 0.000 2.012 402 Q HA -0.238 4.103 4.340 0.001 0.000 0.211 402 Q C 1.951 178.016 176.000 0.110 0.000 1.009 402 Q CA 2.586 58.466 55.803 0.128 0.000 0.866 402 Q CB -0.635 28.155 28.738 0.087 0.000 0.945 402 Q HN 0.802 nan 8.270 nan 0.000 0.414 403 D N -0.705 119.737 120.400 0.071 0.000 2.117 403 D HA -0.093 4.547 4.640 0.001 0.000 0.197 403 D C 1.782 178.131 176.300 0.080 0.000 0.987 403 D CA 1.496 55.535 54.000 0.064 0.000 0.829 403 D CB -0.370 40.459 40.800 0.048 0.000 0.961 403 D HN 0.045 nan 8.370 nan 0.000 0.460 404 S N -0.096 115.646 115.700 0.070 0.000 2.355 404 S HA -0.109 4.361 4.470 0.001 0.000 0.222 404 S C 1.472 176.132 174.600 0.100 0.000 1.031 404 S CA 0.782 59.015 58.200 0.054 0.000 0.993 404 S CB -0.600 62.586 63.200 -0.023 0.000 0.859 404 S HN 0.433 nan 8.310 nan 0.000 0.453 405 W N 3.186 124.408 121.300 -0.130 0.000 2.338 405 W HA -0.055 4.605 4.660 0.001 0.000 0.304 405 W C 2.119 178.590 176.519 -0.079 0.000 1.212 405 W CA 1.067 58.310 57.345 -0.171 0.000 1.264 405 W CB -0.561 28.777 29.460 -0.202 0.000 1.142 405 W HN 0.207 nan 8.180 nan 0.000 0.512 406 R N -0.590 119.957 120.500 0.078 0.000 2.119 406 R HA -0.044 4.297 4.340 0.001 0.000 0.222 406 R C 2.360 178.703 176.300 0.072 0.000 1.088 406 R CA 1.115 57.205 56.100 -0.016 0.000 0.984 406 R CB -0.545 29.736 30.300 -0.033 0.000 0.884 406 R HN 0.131 nan 8.270 nan 0.000 0.447 407 R N 1.009 121.581 120.500 0.120 0.000 2.073 407 R HA -0.108 4.233 4.340 0.001 0.000 0.234 407 R C 2.234 178.698 176.300 0.274 0.000 1.134 407 R CA 1.584 57.792 56.100 0.180 0.000 0.952 407 R CB -0.247 30.171 30.300 0.198 0.000 0.850 407 R HN 0.204 nan 8.270 nan 0.000 0.433 408 A N 1.382 124.358 122.820 0.260 0.000 1.865 408 A HA -0.169 4.151 4.320 0.001 0.000 0.217 408 A C 2.056 179.830 177.584 0.317 0.000 1.191 408 A CA 1.485 53.703 52.037 0.301 0.000 0.623 408 A CB -0.543 18.497 19.000 0.066 0.000 0.826 408 A HN 0.289 nan 8.150 nan 0.000 0.444 409 I N -0.041 120.677 120.570 0.247 0.000 2.208 409 I HA -0.184 3.987 4.170 0.001 0.000 0.245 409 I C 2.725 178.945 176.117 0.172 0.000 1.097 409 I CA 1.973 63.410 61.300 0.229 0.000 1.363 409 I CB -1.648 36.429 38.000 0.128 0.000 1.051 409 I HN 0.405 nan 8.210 nan 0.000 0.413 410 S N 0.273 116.059 115.700 0.142 0.000 2.368 410 S HA -0.157 4.313 4.470 0.001 0.000 0.225 410 S C 2.090 176.761 174.600 0.117 0.000 1.030 410 S CA 2.164 60.429 58.200 0.108 0.000 0.999 410 S CB -0.252 63.003 63.200 0.091 0.000 0.844 410 S HN 0.520 nan 8.310 nan 0.000 0.459 411 T N 0.932 115.585 114.554 0.165 0.000 2.746 411 T HA 0.003 4.354 4.350 0.001 0.000 0.267 411 T C 1.928 176.693 174.700 0.108 0.000 1.039 411 T CA 1.267 63.441 62.100 0.124 0.000 1.142 411 T CB -1.128 67.809 68.868 0.115 0.000 0.866 411 T HN 0.548 nan 8.240 nan 0.000 0.444 412 G N 1.214 110.114 108.800 0.168 0.000 2.440 412 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 412 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 412 G C 1.703 176.641 174.900 0.063 0.000 1.154 412 G CA 0.929 46.099 45.100 0.117 0.000 0.767 412 G HN 0.434 nan 8.290 nan 0.000 0.552 413 V N 0.184 120.145 119.914 0.079 0.000 2.343 413 V HA -0.214 3.907 4.120 0.001 0.000 0.247 413 V C 2.894 179.009 176.094 0.035 0.000 1.051 413 V CA 2.295 64.628 62.300 0.054 0.000 1.036 413 V CB -0.430 31.429 31.823 0.060 0.000 0.654 413 V HN 0.339 nan 8.190 nan 0.000 0.451 414 Q N -0.275 119.547 119.800 0.036 0.000 2.119 414 Q HA -0.038 4.303 4.340 0.001 0.000 0.201 414 Q C 2.228 178.234 176.000 0.010 0.000 0.972 414 Q CA 1.735 57.551 55.803 0.023 0.000 0.847 414 Q CB -0.485 28.267 28.738 0.025 0.000 0.903 414 Q HN 0.658 nan 8.270 nan 0.000 0.433 415 A N -0.792 122.032 122.820 0.006 0.000 2.119 415 A HA 0.212 4.533 4.320 0.001 0.000 0.217 415 A C 1.555 179.123 177.584 -0.028 0.000 1.153 415 A CA 1.087 53.115 52.037 -0.014 0.000 0.692 415 A CB -0.534 18.448 19.000 -0.029 0.000 0.799 415 A HN 0.491 nan 8.150 nan 0.000 0.458 416 G N -1.393 107.394 108.800 -0.022 0.000 2.132 416 G HA2 -0.201 3.760 3.960 0.001 0.000 0.234 416 G HA3 -0.201 3.760 3.960 0.001 0.000 0.234 416 G C 0.054 174.914 174.900 -0.067 0.000 0.989 416 G CA 0.131 45.213 45.100 -0.029 0.000 0.676 416 G HN 0.446 nan 8.290 nan 0.000 0.522 417 I N 3.145 123.654 120.570 -0.102 0.000 2.337 417 I HA 0.235 4.405 4.170 0.001 0.000 0.291 417 I C -1.312 174.746 176.117 -0.098 0.000 1.046 417 I CA -2.083 59.092 61.300 -0.209 0.000 1.324 417 I CB 1.045 38.879 38.000 -0.277 0.000 1.409 417 I HN -0.045 nan 8.210 nan 0.000 0.494 418 P HA -0.005 nan 4.420 nan 0.000 0.261 418 P C -0.590 176.717 177.300 0.012 0.000 1.203 418 P CA 0.246 63.357 63.100 0.017 0.000 0.767 418 P CB 0.476 32.215 31.700 0.066 0.000 0.785 419 M N 5.940 125.554 119.600 0.023 0.000 3.036 419 M HA 0.184 4.665 4.480 0.001 0.000 0.323 419 M C -1.304 175.046 176.300 0.082 0.000 1.248 419 M CA -1.711 53.590 55.300 0.001 0.000 0.819 419 M CB 1.386 34.014 32.600 0.048 0.000 1.361 419 M HN 0.182 nan 8.290 nan 0.000 0.510 420 P HA -0.204 nan 4.420 nan 0.000 0.216 420 P C 1.040 178.438 177.300 0.162 0.000 1.157 420 P CA 1.864 65.037 63.100 0.121 0.000 0.880 420 P CB 0.088 31.854 31.700 0.111 0.000 0.791 421 C N -2.561 116.837 119.300 0.163 0.000 2.464 421 C HA 0.053 4.514 4.460 0.001 0.000 0.278 421 C C 2.684 177.911 174.990 0.396 0.000 1.375 421 C CA 0.071 59.226 59.018 0.229 0.000 1.761 421 C CB -2.081 25.776 27.740 0.194 0.000 1.944 421 C HN 0.097 nan 8.230 nan 0.000 0.509 422 F N 2.164 122.229 119.950 0.192 0.000 2.187 422 F HA -0.070 4.457 4.527 0.001 0.000 0.295 422 F C 2.732 178.699 175.800 0.278 0.000 1.091 422 F CA 1.836 60.000 58.000 0.274 0.000 1.308 422 F CB -1.453 37.692 39.000 0.242 0.000 1.030 422 F HN 0.293 nan 8.300 nan 0.000 0.487 423 T N -2.614 112.168 114.554 0.380 0.000 2.701 423 T HA -0.170 4.180 4.350 0.001 0.000 0.263 423 T C 1.970 176.799 174.700 0.214 0.000 1.040 423 T CA 1.901 64.141 62.100 0.233 0.000 1.147 423 T CB -1.334 67.639 68.868 0.174 0.000 0.865 423 T HN 0.289 nan 8.240 nan 0.000 0.426 424 T N 1.057 115.748 114.554 0.227 0.000 2.849 424 T HA 0.124 4.474 4.350 0.001 0.000 0.270 424 T C 2.250 177.126 174.700 0.295 0.000 1.066 424 T CA 0.963 63.197 62.100 0.224 0.000 1.130 424 T CB -0.722 68.260 68.868 0.191 0.000 0.864 424 T HN 0.556 nan 8.240 nan 0.000 0.481 425 A N 1.156 124.189 122.820 0.356 0.000 1.970 425 A HA 0.285 4.606 4.320 0.001 0.000 0.216 425 A C 2.313 180.208 177.584 0.519 0.000 1.170 425 A CA 0.602 52.930 52.037 0.485 0.000 0.645 425 A CB -0.576 18.740 19.000 0.527 0.000 0.816 425 A HN 0.445 nan 8.150 nan 0.000 0.447 426 L N -0.211 121.154 121.223 0.237 0.000 2.095 426 L HA -0.048 4.293 4.340 0.001 0.000 0.204 426 L C 2.330 179.205 176.870 0.009 0.000 1.080 426 L CA 2.099 56.799 54.840 -0.234 0.000 0.759 426 L CB -0.863 40.901 42.059 -0.491 0.000 0.914 426 L HN 0.362 nan 8.230 nan 0.000 0.439 427 S N 0.149 115.909 115.700 0.101 0.000 2.356 427 S HA -0.221 4.249 4.470 0.001 0.000 0.223 427 S C 1.734 176.429 174.600 0.158 0.000 1.032 427 S CA 1.528 59.788 58.200 0.101 0.000 1.005 427 S CB -0.573 62.698 63.200 0.119 0.000 0.867 427 S HN 0.492 nan 8.310 nan 0.000 0.449 428 F N 1.390 121.419 119.950 0.131 0.000 2.095 428 F HA -0.174 4.353 4.527 0.001 0.000 0.298 428 F C 2.162 178.088 175.800 0.209 0.000 1.104 428 F CA 1.366 59.462 58.000 0.160 0.000 1.232 428 F CB -0.666 38.436 39.000 0.170 0.000 0.987 428 F HN 0.221 nan 8.300 nan 0.000 0.475 429 Y N 1.337 121.709 120.300 0.120 0.000 2.128 429 Y HA -0.237 4.313 4.550 0.001 0.000 0.284 429 Y C 2.217 178.112 175.900 -0.007 0.000 1.154 429 Y CA 2.231 60.367 58.100 0.059 0.000 1.149 429 Y CB -0.852 37.699 38.460 0.151 0.000 0.976 429 Y HN 0.078 nan 8.280 nan 0.000 0.505 430 D N -0.656 119.701 120.400 -0.072 0.000 2.178 430 D HA -0.080 4.560 4.640 0.001 0.000 0.202 430 D C 2.323 178.589 176.300 -0.056 0.000 0.974 430 D CA 1.301 55.249 54.000 -0.085 0.000 0.841 430 D CB -0.717 40.070 40.800 -0.022 0.000 0.953 430 D HN 0.522 nan 8.370 nan 0.000 0.478 431 G N -0.263 108.469 108.800 -0.113 0.000 2.414 431 G HA2 -0.300 3.660 3.960 0.001 0.000 0.215 431 G HA3 -0.300 3.660 3.960 0.001 0.000 0.215 431 G C 1.603 176.428 174.900 -0.125 0.000 1.188 431 G CA 0.446 45.473 45.100 -0.121 0.000 0.783 431 G HN 0.275 nan 8.290 nan 0.000 0.537 432 Y N 1.533 121.576 120.300 -0.428 0.000 2.224 432 Y HA -0.049 4.501 4.550 0.001 0.000 0.289 432 Y C 3.010 178.749 175.900 -0.269 0.000 1.146 432 Y CA 1.564 59.417 58.100 -0.412 0.000 1.182 432 Y CB -0.077 37.953 38.460 -0.716 0.000 0.983 432 Y HN 0.080 nan 8.280 nan 0.000 0.524 433 R N -0.936 119.406 120.500 -0.263 0.000 2.127 433 R HA -0.149 4.192 4.340 0.001 0.000 0.238 433 R C -0.015 176.138 176.300 -0.244 0.000 1.134 433 R CA 1.170 57.087 56.100 -0.305 0.000 0.975 433 R CB -0.498 29.575 30.300 -0.378 0.000 0.865 433 R HN 0.308 nan 8.270 nan 0.000 0.447 434 H N -0.774 118.160 119.070 -0.228 0.000 2.742 434 H HA 0.163 4.720 4.556 0.001 0.000 0.302 434 H C 0.689 175.921 175.328 -0.160 0.000 1.069 434 H CA 0.077 56.026 56.048 -0.164 0.000 1.446 434 H CB 1.488 31.174 29.762 -0.126 0.000 1.462 434 H HN 0.177 nan 8.280 nan 0.000 0.499 435 A N 3.601 126.373 122.820 -0.081 0.000 2.121 435 A HA -0.042 4.279 4.320 0.001 0.000 0.218 435 A C 0.732 178.299 177.584 -0.028 0.000 1.154 435 A CA 0.788 52.779 52.037 -0.077 0.000 0.679 435 A CB -0.149 18.797 19.000 -0.089 0.000 0.795 435 A HN 0.582 nan 8.150 nan 0.000 0.458 436 M N -0.270 119.341 119.600 0.018 0.000 2.263 436 M HA 0.656 5.136 4.480 0.001 0.000 0.295 436 M C -1.533 174.786 176.300 0.032 0.000 1.028 436 M CA -0.401 54.910 55.300 0.019 0.000 0.921 436 M CB 1.409 34.018 32.600 0.016 0.000 1.601 436 M HN 0.095 nan 8.290 nan 0.000 0.440 437 L N 5.902 127.122 121.223 -0.004 0.000 2.323 437 L HA 0.650 4.990 4.340 0.001 0.000 0.265 437 L C -1.715 175.136 176.870 -0.032 0.000 1.012 437 L CA -1.917 52.901 54.840 -0.037 0.000 0.820 437 L CB 2.326 44.363 42.059 -0.037 0.000 1.334 437 L HN 0.551 nan 8.230 nan 0.000 0.427 438 P HA -0.015 nan 4.420 nan 0.000 0.251 438 P C 0.858 178.143 177.300 -0.024 0.000 1.251 438 P CA 0.206 63.286 63.100 -0.034 0.000 0.763 438 P CB 0.155 31.831 31.700 -0.041 0.000 1.067 439 A N 1.200 124.011 122.820 -0.015 0.000 2.070 439 A HA -0.250 4.071 4.320 0.001 0.000 0.220 439 A C 2.030 179.612 177.584 -0.004 0.000 1.159 439 A CA 1.811 53.847 52.037 -0.001 0.000 0.656 439 A CB -1.509 17.498 19.000 0.012 0.000 0.800 439 A HN 0.398 nan 8.150 nan 0.000 0.453 440 N N -0.005 118.687 118.700 -0.013 0.000 2.149 440 N HA -0.179 4.562 4.740 0.001 0.000 0.188 440 N C 1.401 176.881 175.510 -0.050 0.000 1.019 440 N CA 1.519 54.553 53.050 -0.026 0.000 0.857 440 N CB -0.503 37.967 38.487 -0.029 0.000 0.997 440 N HN 0.340 nan 8.380 nan 0.000 0.426 441 L N 0.627 121.821 121.223 -0.050 0.000 2.141 441 L HA 0.101 4.441 4.340 0.001 0.000 0.209 441 L C 1.843 178.670 176.870 -0.072 0.000 1.094 441 L CA 1.164 55.960 54.840 -0.073 0.000 0.763 441 L CB -0.494 41.529 42.059 -0.059 0.000 0.908 441 L HN 0.319 nan 8.230 nan 0.000 0.437 442 I N -1.040 119.509 120.570 -0.034 0.000 2.142 442 I HA -0.273 3.898 4.170 0.001 0.000 0.240 442 I C 2.481 178.587 176.117 -0.017 0.000 1.078 442 I CA 0.897 62.192 61.300 -0.009 0.000 1.343 442 I CB -0.473 37.537 38.000 0.015 0.000 1.046 442 I HN 0.300 nan 8.210 nan 0.000 0.405 443 Q N 0.714 120.513 119.800 -0.002 0.000 2.096 443 Q HA -0.211 4.130 4.340 0.001 0.000 0.204 443 Q C 2.416 178.418 176.000 0.002 0.000 0.982 443 Q CA 2.052 57.878 55.803 0.037 0.000 0.850 443 Q CB -0.517 28.261 28.738 0.067 0.000 0.901 443 Q HN 0.594 nan 8.270 nan 0.000 0.422 444 A N 1.561 124.318 122.820 -0.105 0.000 1.898 444 A HA -0.227 4.093 4.320 0.001 0.000 0.216 444 A C 2.072 179.440 177.584 -0.361 0.000 1.181 444 A CA 1.735 53.634 52.037 -0.230 0.000 0.620 444 A CB -0.512 18.284 19.000 -0.339 0.000 0.819 444 A HN 0.549 nan 8.150 nan 0.000 0.442 445 Q N -0.653 118.967 119.800 -0.300 0.000 2.172 445 Q HA -0.096 4.245 4.340 0.001 0.000 0.200 445 Q C 2.060 177.652 176.000 -0.680 0.000 0.964 445 Q CA 1.107 56.697 55.803 -0.355 0.000 0.855 445 Q CB -0.333 28.336 28.738 -0.114 0.000 0.918 445 Q HN 0.625 nan 8.270 nan 0.000 0.444 446 R N 1.085 121.309 120.500 -0.460 0.000 2.083 446 R HA -0.163 4.178 4.340 0.001 0.000 0.237 446 R C 1.944 178.036 176.300 -0.347 0.000 1.137 446 R CA 1.824 57.637 56.100 -0.478 0.000 0.951 446 R CB -0.274 30.037 30.300 0.020 0.000 0.851 446 R HN 0.330 nan 8.270 nan 0.000 0.434 447 D N -0.440 119.930 120.400 -0.051 0.000 2.178 447 D HA -0.187 4.454 4.640 0.001 0.000 0.202 447 D C 1.585 178.009 176.300 0.207 0.000 0.974 447 D CA 0.861 54.975 54.000 0.190 0.000 0.841 447 D CB -0.004 41.163 40.800 0.612 0.000 0.953 447 D HN 0.161 nan 8.370 nan 0.000 0.478 448 Y N 0.571 120.733 120.300 -0.229 0.000 2.060 448 Y HA -0.194 4.357 4.550 0.001 0.000 0.276 448 Y C 1.903 177.747 175.900 -0.094 0.000 1.127 448 Y CA 2.233 60.198 58.100 -0.225 0.000 1.104 448 Y CB -0.999 37.136 38.460 -0.542 0.000 0.983 448 Y HN 0.115 nan 8.280 nan 0.000 0.483 449 F N -1.593 118.590 119.950 0.388 0.000 2.615 449 F HA 0.369 4.897 4.527 0.001 0.000 0.297 449 F C 1.855 177.710 175.800 0.092 0.000 1.124 449 F CA 0.653 58.812 58.000 0.266 0.000 1.451 449 F CB -0.909 38.176 39.000 0.141 0.000 1.103 449 F HN 0.013 nan 8.300 nan 0.000 0.569 450 G N -0.928 107.777 108.800 -0.158 0.000 3.274 450 G HA2 0.404 4.364 3.960 0.001 0.000 0.250 450 G HA3 0.404 4.364 3.960 0.001 0.000 0.250 450 G C 1.002 175.568 174.900 -0.557 0.000 1.024 450 G CA -0.026 44.922 45.100 -0.254 0.000 0.840 450 G HN 0.728 nan 8.290 nan 0.000 0.522 451 A N 0.556 123.136 122.820 -0.400 0.000 2.798 451 A HA -0.261 4.060 4.320 0.001 0.000 0.282 451 A C 1.423 178.748 177.584 -0.432 0.000 1.464 451 A CA 1.303 52.993 52.037 -0.578 0.000 0.844 451 A CB -2.363 16.259 19.000 -0.630 0.000 1.006 451 A HN 0.546 nan 8.150 nan 0.000 0.577 452 H N 0.272 119.287 119.070 -0.091 0.000 2.521 452 H HA 0.056 4.612 4.556 0.001 0.000 0.286 452 H C 1.394 176.743 175.328 0.035 0.000 1.034 452 H CA 2.411 58.443 56.048 -0.028 0.000 1.278 452 H CB -0.432 29.331 29.762 0.002 0.000 1.386 452 H HN 1.670 nan 8.280 nan 0.000 0.567 453 T N -1.803 112.878 114.554 0.210 0.000 0.541 453 T HA -0.174 4.177 4.350 0.001 0.000 0.774 453 T C -0.637 174.341 174.700 0.462 0.000 0.992 453 T CA 0.328 62.598 62.100 0.282 0.000 4.077 453 T CB -1.516 67.480 68.868 0.213 0.000 2.303 453 T HN 0.571 nan 8.240 nan 0.000 0.398 454 Y N -0.510 119.995 120.300 0.342 0.000 2.638 454 Y HA 0.919 5.470 4.550 0.001 0.000 0.339 454 Y C -0.259 175.631 175.900 -0.015 0.000 1.084 454 Y CA -1.476 56.758 58.100 0.224 0.000 1.068 454 Y CB 1.272 39.845 38.460 0.188 0.000 1.294 454 Y HN 0.972 nan 8.280 nan 0.000 0.480 455 E N 0.821 121.073 120.200 0.086 0.000 2.249 455 E HA 0.519 4.869 4.350 0.001 0.000 0.263 455 E C -1.649 175.002 176.600 0.085 0.000 0.950 455 E CA -1.127 55.160 56.400 -0.189 0.000 0.827 455 E CB 2.177 31.682 29.700 -0.324 0.000 1.220 455 E HN 0.460 nan 8.360 nan 0.000 0.411 456 L N 2.013 123.241 121.223 0.009 0.000 2.352 456 L HA 0.130 4.470 4.340 0.001 0.000 0.269 456 L C 0.767 177.639 176.870 0.003 0.000 1.034 456 L CA -0.146 54.729 54.840 0.059 0.000 0.806 456 L CB 1.226 43.313 42.059 0.046 0.000 1.244 456 L HN 0.587 nan 8.230 nan 0.000 0.447 457 L N 1.781 123.012 121.223 0.012 0.000 1.971 457 L HA -0.049 4.291 4.340 0.001 0.000 0.215 457 L C 1.023 177.886 176.870 -0.013 0.000 1.072 457 L CA 1.732 56.570 54.840 -0.002 0.000 0.758 457 L CB -1.212 40.847 42.059 0.001 0.000 0.889 457 L HN 0.747 nan 8.230 nan 0.000 0.433 458 A N -1.276 121.538 122.820 -0.010 0.000 2.304 458 A HA 0.386 4.706 4.320 0.001 0.000 0.271 458 A C 0.539 178.107 177.584 -0.026 0.000 1.091 458 A CA -0.200 51.828 52.037 -0.016 0.000 0.812 458 A CB 0.143 19.137 19.000 -0.010 0.000 1.056 458 A HN 0.399 nan 8.150 nan 0.000 0.489 459 K N -1.230 119.151 120.400 -0.031 0.000 3.150 459 K HA -0.111 4.210 4.320 0.001 0.000 0.267 459 K C -2.721 173.834 176.600 -0.076 0.000 1.028 459 K CA 0.737 56.996 56.287 -0.046 0.000 0.753 459 K CB -2.124 30.349 32.500 -0.046 0.000 1.288 459 K HN 0.551 nan 8.250 nan 0.000 0.473 460 P HA 0.083 nan 4.420 nan 0.000 0.267 460 P C 1.068 178.306 177.300 -0.102 0.000 1.209 460 P CA 1.129 64.174 63.100 -0.091 0.000 0.763 460 P CB 1.220 32.891 31.700 -0.049 0.000 0.816 461 G N 2.435 111.120 108.800 -0.192 0.000 2.796 461 G HA2 -0.137 3.824 3.960 0.001 0.000 0.198 461 G HA3 -0.137 3.824 3.960 0.001 0.000 0.198 461 G C -0.303 174.488 174.900 -0.182 0.000 1.062 461 G CA -0.403 44.624 45.100 -0.121 0.000 0.752 461 G HN 0.655 nan 8.290 nan 0.000 0.487 462 Q N 0.551 120.228 119.800 -0.206 0.000 2.256 462 Q HA 0.712 5.053 4.340 0.001 0.000 0.254 462 Q C -1.057 174.773 176.000 -0.284 0.000 0.916 462 Q CA -0.675 55.058 55.803 -0.116 0.000 0.932 462 Q CB 1.359 30.061 28.738 -0.060 0.000 1.207 462 Q HN 0.216 nan 8.270 nan 0.000 0.426 463 F N 2.269 122.187 119.950 -0.053 0.000 2.404 463 F HA 0.489 5.016 4.527 0.001 0.000 0.339 463 F C -0.272 175.430 175.800 -0.163 0.000 1.105 463 F CA -0.849 57.098 58.000 -0.089 0.000 1.087 463 F CB 1.050 40.025 39.000 -0.042 0.000 1.143 463 F HN 0.459 nan 8.300 nan 0.000 0.491 464 I N 1.993 122.443 120.570 -0.201 0.000 2.646 464 I HA 0.369 4.540 4.170 0.001 0.000 0.299 464 I C -0.916 174.974 176.117 -0.379 0.000 1.036 464 I CA -0.707 60.364 61.300 -0.381 0.000 1.074 464 I CB 1.934 39.536 38.000 -0.663 0.000 1.258 464 I HN 0.492 nan 8.210 nan 0.000 0.430 465 H N 2.460 121.358 119.070 -0.286 0.000 2.609 465 H HA 0.618 5.175 4.556 0.001 0.000 0.344 465 H C -1.272 173.947 175.328 -0.182 0.000 1.040 465 H CA -0.558 55.411 56.048 -0.132 0.000 1.216 465 H CB 1.465 31.203 29.762 -0.039 0.000 1.529 465 H HN 0.596 nan 8.280 nan 0.000 0.519 466 T N 4.495 118.760 114.554 -0.480 0.000 2.875 466 T HA 0.121 4.472 4.350 0.001 0.000 0.284 466 T C 0.133 174.177 174.700 -1.093 0.000 0.995 466 T CA -0.745 60.831 62.100 -0.874 0.000 1.060 466 T CB 0.298 68.424 68.868 -1.238 0.000 0.967 466 T HN 0.631 nan 8.240 nan 0.000 0.476 467 N N 1.854 120.088 118.700 -0.778 0.000 2.415 467 N HA 0.119 4.860 4.740 0.001 0.000 0.246 467 N C -0.080 175.160 175.510 -0.450 0.000 1.078 467 N CA -0.632 52.124 53.050 -0.491 0.000 0.942 467 N CB 0.253 38.563 38.487 -0.295 0.000 1.140 467 N HN 0.649 nan 8.380 nan 0.000 0.501 468 W N 2.017 123.103 121.300 -0.357 0.000 2.588 468 W HA 0.116 4.776 4.660 0.001 0.000 0.277 468 W C 2.066 178.398 176.519 -0.312 0.000 1.221 468 W CA 0.119 57.261 57.345 -0.337 0.000 1.355 468 W CB -0.720 28.518 29.460 -0.370 0.000 1.083 468 W HN 0.363 nan 8.180 nan 0.000 0.581 469 T N 0.121 114.580 114.554 -0.158 0.000 2.840 469 T HA -0.199 4.152 4.350 0.001 0.000 0.255 469 T C 0.903 175.619 174.700 0.027 0.000 1.037 469 T CA 1.915 63.957 62.100 -0.098 0.000 1.162 469 T CB -0.835 67.991 68.868 -0.070 0.000 0.833 469 T HN 0.278 nan 8.240 nan 0.000 0.486 470 G N -1.221 107.593 108.800 0.023 0.000 2.759 470 G HA2 0.456 4.416 3.960 0.001 0.000 0.297 470 G HA3 0.456 4.416 3.960 0.001 0.000 0.297 470 G C -1.468 173.478 174.900 0.076 0.000 1.434 470 G CA -0.633 44.508 45.100 0.068 0.000 0.980 470 G HN 0.191 nan 8.290 nan 0.000 0.531 471 H N 0.880 119.967 119.070 0.028 0.000 2.680 471 H HA 0.540 5.097 4.556 0.001 0.000 0.224 471 H C 0.909 176.235 175.328 -0.004 0.000 1.866 471 H CA 0.582 56.631 56.048 0.001 0.000 1.302 471 H CB -0.111 29.659 29.762 0.013 0.000 1.709 471 H HN 1.404 nan 8.280 nan 0.000 0.537 472 G N 0.067 108.954 108.800 0.146 0.000 2.373 472 G HA2 0.378 4.339 3.960 0.001 0.000 0.634 472 G HA3 0.378 4.339 3.960 0.001 0.000 0.634 472 G C -0.022 174.910 174.900 0.053 0.000 1.267 472 G CA -0.228 44.916 45.100 0.073 0.000 1.008 472 G HN 1.086 nan 8.290 nan 0.000 0.497 473 G N 0.000 108.822 108.800 0.036 0.000 5.446 473 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 473 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 473 G CA 0.000 45.119 45.100 0.031 0.000 0.502 473 G HN 0.000 nan 8.290 nan 0.000 0.925