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 3fv9_1_A DATA FIRST_RESID 1 DATA SEQUENCE LKITRIDIHR TDLPVRGXXX XXXXXXXXHS YDATIVSIET DTGLTGWGES DATA SEQUENCE TPFGSTYIAA HAGGTRAALE LLAPAILGMD PRQHDRIWDR MRDTLKGHRD DATA SEQUENCE ARAALDIACW DIAAQAAGLP LCDMTGGRVA GPVPVISSIG GDTPEAMRAK DATA SEQUENCE VARHRAQGFK GHSIKIGASE AEGGPALDAE RITACLADRQ PGEWYLADAN DATA SEQUENCE NGLTVEHALR MLSLLPPGLD IVLEAPCASW AETKSLRARC ALPLLLDELI DATA SEQUENCE QTETDLIAAI RDDLCDGVGL KVSKQGGITP MLRQRAIAAA AGMVMSVQDT DATA SEQUENCE VGSQISFAAI LHLAQSTPRH LLRCALDTRA MTTAELAEID APLRDGGASA DATA SEQUENCE PSDPGLGLRV NRDALGTPVK TFGD 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.849 176.870 -0.035 0.000 1.165 1 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 1 L CB 0.000 42.035 42.059 -0.039 0.000 0.961 2 K N 4.550 124.931 120.400 -0.031 0.000 2.427 2 K HA 0.647 4.967 4.320 -0.000 0.000 0.252 2 K C -0.965 175.617 176.600 -0.030 0.000 0.931 2 K CA -0.732 55.537 56.287 -0.029 0.000 0.793 2 K CB 1.768 34.254 32.500 -0.024 0.000 1.211 2 K HN 0.627 nan 8.250 nan 0.000 0.426 3 I N 3.357 123.908 120.570 -0.031 0.000 2.533 3 I HA -0.024 4.146 4.170 -0.000 0.000 0.284 3 I C 1.322 177.426 176.117 -0.022 0.000 1.109 3 I CA 0.440 61.723 61.300 -0.030 0.000 1.412 3 I CB 1.150 39.131 38.000 -0.031 0.000 1.396 3 I HN 0.832 nan 8.210 nan 0.000 0.543 4 T N 2.712 117.254 114.554 -0.019 0.000 2.955 4 T HA 0.235 4.584 4.350 -0.000 0.000 0.251 4 T C 0.574 175.274 174.700 -0.001 0.000 1.002 4 T CA -0.337 61.757 62.100 -0.010 0.000 0.970 4 T CB 0.410 69.271 68.868 -0.012 0.000 1.091 4 T HN 0.571 nan 8.240 nan 0.000 0.495 5 R N 0.164 120.660 120.500 -0.006 0.000 2.566 5 R HA 0.672 5.011 4.340 -0.000 0.000 0.271 5 R C -2.205 174.094 176.300 -0.002 0.000 1.071 5 R CA -0.782 55.320 56.100 0.005 0.000 0.915 5 R CB 1.588 31.882 30.300 -0.011 0.000 1.228 5 R HN 0.275 nan 8.270 nan 0.000 0.449 6 I N 3.161 123.757 120.570 0.044 0.000 2.447 6 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 6 I C -1.054 175.097 176.117 0.056 0.000 1.023 6 I CA -0.903 60.425 61.300 0.046 0.000 1.083 6 I CB 2.193 40.242 38.000 0.082 0.000 1.245 6 I HN 0.441 nan 8.210 nan 0.000 0.434 7 D N 6.924 127.317 120.400 -0.013 0.000 2.256 7 D HA 0.450 5.090 4.640 -0.000 0.000 0.240 7 D C -0.425 175.822 176.300 -0.088 0.000 1.062 7 D CA -0.221 53.725 54.000 -0.089 0.000 0.832 7 D CB 2.285 43.023 40.800 -0.103 0.000 1.135 7 D HN 0.137 nan 8.370 nan 0.000 0.484 8 I N 3.171 123.662 120.570 -0.131 0.000 2.336 8 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 8 I C 0.472 176.484 176.117 -0.176 0.000 0.991 8 I CA -0.457 60.827 61.300 -0.028 0.000 1.227 8 I CB 0.701 38.741 38.000 0.066 0.000 1.366 8 I HN 0.236 nan 8.210 nan 0.000 0.466 9 H N 5.358 124.498 119.070 0.118 0.000 2.621 9 H HA 0.525 5.080 4.556 -0.000 0.000 0.360 9 H C -0.475 174.911 175.328 0.097 0.000 1.163 9 H CA -0.852 55.263 56.048 0.113 0.000 1.194 9 H CB 2.918 32.773 29.762 0.155 0.000 1.649 9 H HN 0.451 nan 8.280 nan 0.000 0.532 10 R N 1.257 121.872 120.500 0.192 0.000 2.437 10 R HA 0.380 4.720 4.340 -0.000 0.000 0.310 10 R C -1.263 175.112 176.300 0.124 0.000 0.955 10 R CA -0.398 55.782 56.100 0.134 0.000 0.851 10 R CB 1.670 32.023 30.300 0.089 0.000 1.161 10 R HN 0.692 nan 8.270 nan 0.000 0.446 11 T N 2.117 116.735 114.554 0.108 0.000 2.956 11 T HA 0.148 4.498 4.350 -0.000 0.000 0.312 11 T C -1.610 173.135 174.700 0.074 0.000 1.151 11 T CA -0.704 61.446 62.100 0.083 0.000 1.024 11 T CB 1.486 70.397 68.868 0.071 0.000 1.140 11 T HN 0.705 nan 8.240 nan 0.000 0.473 12 D N 3.065 123.500 120.400 0.058 0.000 2.312 12 D HA 0.406 5.046 4.640 -0.000 0.000 0.252 12 D C -0.265 176.070 176.300 0.058 0.000 1.150 12 D CA -0.220 53.812 54.000 0.053 0.000 0.870 12 D CB 0.486 41.304 40.800 0.030 0.000 1.153 12 D HN 0.402 nan 8.370 nan 0.000 0.457 13 L N 5.917 127.194 121.223 0.089 0.000 2.297 13 L HA 0.419 4.759 4.340 -0.000 0.000 0.277 13 L C -2.156 174.767 176.870 0.089 0.000 1.040 13 L CA -2.118 52.789 54.840 0.113 0.000 0.867 13 L CB 1.090 43.261 42.059 0.187 0.000 1.244 13 L HN 0.265 nan 8.230 nan 0.000 0.433 14 P HA 0.011 nan 4.420 nan 0.000 0.268 14 P C 0.005 177.307 177.300 0.005 0.000 1.205 14 P CA -0.186 62.906 63.100 -0.014 0.000 0.771 14 P CB 0.708 32.403 31.700 -0.008 0.000 0.858 15 V N 4.374 124.242 119.914 -0.076 0.000 2.599 15 V HA -0.039 4.080 4.120 -0.000 0.000 0.300 15 V C 1.266 177.367 176.094 0.012 0.000 1.034 15 V CA 0.300 62.589 62.300 -0.019 0.000 1.115 15 V CB -0.327 31.415 31.823 -0.136 0.000 0.934 15 V HN 0.487 nan 8.190 nan 0.000 0.485 16 R N 3.535 124.066 120.500 0.052 0.000 2.248 16 R HA 0.524 4.864 4.340 -0.000 0.000 0.328 16 R C 0.445 176.754 176.300 0.015 0.000 1.067 16 R CA 0.896 57.012 56.100 0.026 0.000 0.924 16 R CB 0.145 30.460 30.300 0.026 0.000 1.013 16 R HN 1.149 nan 8.270 nan 0.000 0.454 30 S N -0.137 115.398 115.700 -0.274 0.000 2.611 30 S HA 0.652 5.122 4.470 -0.000 0.000 0.268 30 S C -2.057 172.199 174.600 -0.573 0.000 1.156 30 S CA -0.876 57.087 58.200 -0.396 0.000 0.817 30 S CB 2.189 65.304 63.200 -0.141 0.000 1.122 30 S HN 0.301 nan 8.310 nan 0.000 0.466 31 Y N 0.346 120.635 120.300 -0.018 0.000 2.393 31 Y HA 0.552 5.102 4.550 -0.000 0.000 0.341 31 Y C -0.271 175.631 175.900 0.003 0.000 0.988 31 Y CA -0.791 57.290 58.100 -0.031 0.000 1.078 31 Y CB 1.408 39.846 38.460 -0.036 0.000 1.203 31 Y HN 0.724 nan 8.280 nan 0.000 0.453 32 D N 2.644 123.140 120.400 0.160 0.000 2.411 32 D HA 0.432 5.072 4.640 -0.000 0.000 0.225 32 D C -0.711 175.661 176.300 0.121 0.000 1.156 32 D CA 0.010 54.077 54.000 0.112 0.000 0.874 32 D CB 0.615 41.467 40.800 0.086 0.000 1.034 32 D HN 0.665 nan 8.370 nan 0.000 0.502 33 A N 3.215 126.105 122.820 0.117 0.000 2.306 33 A HA 0.606 4.926 4.320 -0.000 0.000 0.314 33 A C 0.058 177.711 177.584 0.115 0.000 1.164 33 A CA -0.527 51.578 52.037 0.113 0.000 0.822 33 A CB 0.890 19.954 19.000 0.107 0.000 1.130 33 A HN 0.468 nan 8.150 nan 0.000 0.496 34 T N 2.558 117.184 114.554 0.121 0.000 2.772 34 T HA 0.539 4.889 4.350 -0.000 0.000 0.288 34 T C -0.604 174.199 174.700 0.172 0.000 0.994 34 T CA 0.148 62.332 62.100 0.140 0.000 0.951 34 T CB 0.254 69.192 68.868 0.115 0.000 0.933 34 T HN 0.384 nan 8.240 nan 0.000 0.447 35 I N 3.345 124.054 120.570 0.231 0.000 2.433 35 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 35 I C -0.400 175.964 176.117 0.413 0.000 1.001 35 I CA -0.674 60.797 61.300 0.286 0.000 1.119 35 I CB 1.942 40.077 38.000 0.224 0.000 1.289 35 I HN 0.312 nan 8.210 nan 0.000 0.438 36 V N 5.018 125.146 119.914 0.356 0.000 2.495 36 V HA 0.583 4.703 4.120 -0.000 0.000 0.298 36 V C -0.153 176.009 176.094 0.113 0.000 1.031 36 V CA -0.583 61.875 62.300 0.263 0.000 0.871 36 V CB 1.983 33.897 31.823 0.152 0.000 0.988 36 V HN 0.829 nan 8.190 nan 0.000 0.432 37 S N 5.609 121.231 115.700 -0.130 0.000 2.509 37 S HA 0.811 5.281 4.470 -0.000 0.000 0.297 37 S C -0.806 173.595 174.600 -0.333 0.000 1.118 37 S CA -0.675 57.120 58.200 -0.675 0.000 1.074 37 S CB 1.502 63.906 63.200 -1.327 0.000 1.038 37 S HN 0.495 nan 8.310 nan 0.000 0.498 38 I N 1.906 122.279 120.570 -0.330 0.000 2.436 38 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 38 I C -0.163 175.849 176.117 -0.176 0.000 1.010 38 I CA -0.516 60.681 61.300 -0.171 0.000 1.098 38 I CB 1.967 39.911 38.000 -0.093 0.000 1.266 38 I HN 0.710 nan 8.210 nan 0.000 0.434 39 E N 3.675 123.805 120.200 -0.116 0.000 2.202 39 E HA 0.478 4.828 4.350 -0.000 0.000 0.272 39 E C -0.506 176.062 176.600 -0.054 0.000 0.951 39 E CA -0.700 55.648 56.400 -0.086 0.000 0.813 39 E CB 2.246 31.906 29.700 -0.067 0.000 1.151 39 E HN 0.644 nan 8.360 nan 0.000 0.398 40 T N -1.930 112.598 114.554 -0.042 0.000 2.948 40 T HA 0.120 4.470 4.350 -0.000 0.000 0.285 40 T C 0.818 175.505 174.700 -0.023 0.000 1.019 40 T CA -0.752 61.329 62.100 -0.032 0.000 1.013 40 T CB 1.090 69.940 68.868 -0.030 0.000 1.117 40 T HN 0.502 nan 8.240 nan 0.000 0.533 41 D N 0.212 120.600 120.400 -0.020 0.000 2.264 41 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 41 D C 1.773 178.066 176.300 -0.012 0.000 0.966 41 D CA 1.599 55.591 54.000 -0.014 0.000 0.864 41 D CB -1.009 39.783 40.800 -0.014 0.000 0.933 41 D HN 0.734 nan 8.370 nan 0.000 0.499 42 T N -4.169 110.377 114.554 -0.013 0.000 3.113 42 T HA 0.353 4.703 4.350 -0.000 0.000 0.256 42 T C 1.700 176.397 174.700 -0.005 0.000 1.131 42 T CA 0.496 62.591 62.100 -0.009 0.000 1.074 42 T CB -0.132 68.730 68.868 -0.010 0.000 0.944 42 T HN 0.413 nan 8.240 nan 0.000 0.516 43 G N 1.078 109.874 108.800 -0.006 0.000 2.131 43 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.223 43 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.223 43 G C -0.141 174.761 174.900 0.002 0.000 0.990 43 G CA -0.083 45.017 45.100 -0.001 0.000 0.671 43 G HN 0.617 nan 8.290 nan 0.000 0.521 44 L N 0.939 122.158 121.223 -0.005 0.000 2.395 44 L HA 0.598 4.938 4.340 -0.000 0.000 0.269 44 L C 0.505 177.361 176.870 -0.024 0.000 1.133 44 L CA -0.152 54.686 54.840 -0.003 0.000 0.812 44 L CB 1.289 43.345 42.059 -0.005 0.000 1.125 44 L HN 0.135 nan 8.230 nan 0.000 0.452 45 T N 1.139 115.682 114.554 -0.018 0.000 2.812 45 T HA 0.567 4.917 4.350 -0.000 0.000 0.282 45 T C 0.088 174.732 174.700 -0.094 0.000 0.990 45 T CA -0.613 61.425 62.100 -0.102 0.000 0.960 45 T CB 1.743 70.557 68.868 -0.091 0.000 0.948 45 T HN 0.757 nan 8.240 nan 0.000 0.438 46 G N 1.373 110.060 108.800 -0.188 0.000 2.432 46 G HA2 0.662 4.622 3.960 -0.000 0.000 0.331 46 G HA3 0.662 4.622 3.960 -0.000 0.000 0.331 46 G C -1.777 172.975 174.900 -0.247 0.000 1.170 46 G CA -0.811 44.240 45.100 -0.082 0.000 0.943 46 G HN 0.640 nan 8.290 nan 0.000 0.483 47 W N -0.301 121.038 121.300 0.065 0.000 2.844 47 W HA 0.672 5.332 4.660 -0.000 0.000 0.340 47 W C 0.254 176.820 176.519 0.077 0.000 1.093 47 W CA -0.506 56.879 57.345 0.067 0.000 1.212 47 W CB 3.016 32.504 29.460 0.047 0.000 1.422 47 W HN 0.833 nan 8.180 nan 0.000 0.515 48 G N 1.154 110.159 108.800 0.342 0.000 2.706 48 G HA2 0.549 4.509 3.960 -0.000 0.000 0.297 48 G HA3 0.549 4.509 3.960 -0.000 0.000 0.297 48 G C -2.149 172.888 174.900 0.230 0.000 1.403 48 G CA -0.715 44.528 45.100 0.238 0.000 0.954 48 G HN 0.388 nan 8.290 nan 0.000 0.500 49 E N -0.134 120.172 120.200 0.176 0.000 2.248 49 E HA 0.641 4.991 4.350 -0.000 0.000 0.267 49 E C -1.304 175.374 176.600 0.130 0.000 0.877 49 E CA -0.757 55.735 56.400 0.153 0.000 0.759 49 E CB 2.033 31.809 29.700 0.126 0.000 1.182 49 E HN 0.376 nan 8.360 nan 0.000 0.418 50 S N 2.832 118.608 115.700 0.126 0.000 2.733 50 S HA 0.357 4.827 4.470 -0.000 0.000 0.294 50 S C -1.409 173.255 174.600 0.107 0.000 1.149 50 S CA -0.484 57.784 58.200 0.113 0.000 1.034 50 S CB 1.410 64.679 63.200 0.115 0.000 1.015 50 S HN 0.486 nan 8.310 nan 0.000 0.486 51 T N 5.534 120.147 114.554 0.099 0.000 2.963 51 T HA 0.592 4.941 4.350 -0.000 0.000 0.328 51 T C -3.062 171.702 174.700 0.107 0.000 1.048 51 T CA -1.840 60.319 62.100 0.098 0.000 1.033 51 T CB 0.941 69.862 68.868 0.090 0.000 1.010 51 T HN 0.340 nan 8.240 nan 0.000 0.469 52 P HA 0.158 nan 4.420 nan 0.000 0.266 52 P C -0.777 176.646 177.300 0.205 0.000 1.195 52 P CA -0.343 62.873 63.100 0.194 0.000 0.768 52 P CB 0.152 31.970 31.700 0.196 0.000 0.838 53 F N 3.871 123.878 119.950 0.094 0.000 2.494 53 F HA 0.370 4.897 4.527 -0.000 0.000 0.351 53 F C 1.292 177.213 175.800 0.201 0.000 1.205 53 F CA 0.897 58.933 58.000 0.059 0.000 1.125 53 F CB -0.923 37.981 39.000 -0.160 0.000 1.268 53 F HN 0.633 nan 8.300 nan 0.000 0.593 54 G N 3.944 112.725 108.800 -0.032 0.000 2.581 54 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.291 54 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.291 54 G C 0.611 175.608 174.900 0.161 0.000 1.277 54 G CA 0.293 45.416 45.100 0.038 0.000 0.959 54 G HN 1.332 nan 8.290 nan 0.000 0.554 55 S N -2.114 113.674 115.700 0.147 0.000 2.701 55 S HA 0.426 4.896 4.470 -0.000 0.000 0.242 55 S C 1.124 175.806 174.600 0.137 0.000 1.025 55 S CA 1.087 59.378 58.200 0.152 0.000 1.016 55 S CB 0.508 63.752 63.200 0.073 0.000 0.977 55 S HN 1.942 nan 8.310 nan 0.000 0.546 56 T N -2.568 112.098 114.554 0.187 0.000 3.170 56 T HA 0.264 4.614 4.350 -0.000 0.000 0.288 56 T C 0.826 175.666 174.700 0.233 0.000 0.992 56 T CA -0.351 61.847 62.100 0.164 0.000 0.909 56 T CB -0.457 68.488 68.868 0.128 0.000 1.133 56 T HN 0.245 nan 8.240 nan 0.000 0.530 57 Y N 3.383 123.798 120.300 0.192 0.000 2.130 57 Y HA 0.377 4.927 4.550 -0.000 0.000 0.287 57 Y C 0.588 176.551 175.900 0.106 0.000 1.124 57 Y CA 0.349 58.553 58.100 0.173 0.000 1.118 57 Y CB 0.058 38.668 38.460 0.249 0.000 0.994 57 Y HN 0.503 nan 8.280 nan 0.000 0.497 58 I N -2.898 117.612 120.570 -0.101 0.000 3.457 58 I HA 0.707 4.877 4.170 -0.000 0.000 0.307 58 I C -0.215 175.903 176.117 0.002 0.000 1.138 58 I CA -1.441 59.764 61.300 -0.158 0.000 0.974 58 I CB 1.450 39.310 38.000 -0.233 0.000 1.324 58 I HN -0.103 nan 8.210 nan 0.000 0.485 59 A N 1.644 124.456 122.820 -0.013 0.000 2.981 59 A HA 0.735 5.055 4.320 -0.000 0.000 0.280 59 A C 0.131 177.741 177.584 0.043 0.000 1.743 59 A CA 0.365 52.409 52.037 0.012 0.000 1.430 59 A CB -1.681 17.306 19.000 -0.022 0.000 1.085 59 A HN 1.134 nan 8.150 nan 0.000 0.597 60 A N 1.956 124.847 122.820 0.120 0.000 2.594 60 A HA 0.757 5.077 4.320 -0.000 0.000 0.296 60 A C -0.798 176.949 177.584 0.273 0.000 1.061 60 A CA -0.409 51.729 52.037 0.167 0.000 0.689 60 A CB 0.818 19.897 19.000 0.132 0.000 1.280 60 A HN 1.500 nan 8.150 nan 0.000 0.406 61 H N -1.533 117.591 119.070 0.089 0.000 3.037 61 H HA 0.767 5.323 4.556 -0.000 0.000 0.355 61 H C 0.696 176.080 175.328 0.093 0.000 1.263 61 H CA -0.318 55.784 56.048 0.091 0.000 1.129 61 H CB 1.546 31.351 29.762 0.072 0.000 1.861 61 H HN 0.941 nan 8.280 nan 0.000 0.546 62 A N 1.738 124.569 122.820 0.018 0.000 1.892 62 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 62 A C 2.351 179.849 177.584 -0.144 0.000 1.188 62 A CA 2.102 54.123 52.037 -0.027 0.000 0.631 62 A CB -1.637 17.396 19.000 0.055 0.000 0.822 62 A HN 0.970 nan 8.150 nan 0.000 0.447 63 G N -0.926 107.748 108.800 -0.211 0.000 2.450 63 G HA2 0.011 3.971 3.960 -0.000 0.000 0.220 63 G HA3 0.011 3.971 3.960 -0.000 0.000 0.220 63 G C 1.446 176.145 174.900 -0.336 0.000 1.130 63 G CA 1.314 46.303 45.100 -0.186 0.000 0.760 63 G HN 0.747 nan 8.290 nan 0.000 0.557 64 G N 0.130 108.423 108.800 -0.845 0.000 2.403 64 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.216 64 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.216 64 G C 1.831 176.668 174.900 -0.106 0.000 1.154 64 G CA 1.603 46.465 45.100 -0.397 0.000 0.784 64 G HN 0.365 nan 8.290 nan 0.000 0.538 65 T N 0.873 115.362 114.554 -0.109 0.000 2.684 65 T HA -0.117 4.232 4.350 -0.000 0.000 0.267 65 T C 2.468 177.171 174.700 0.006 0.000 1.036 65 T CA 1.253 63.353 62.100 -0.001 0.000 1.148 65 T CB -0.156 68.725 68.868 0.021 0.000 0.863 65 T HN 0.235 nan 8.240 nan 0.000 0.436 66 R N 0.816 121.310 120.500 -0.009 0.000 2.092 66 R HA 0.113 4.453 4.340 -0.000 0.000 0.231 66 R C 2.845 179.155 176.300 0.016 0.000 1.119 66 R CA 1.111 57.223 56.100 0.020 0.000 0.970 66 R CB -0.432 29.883 30.300 0.025 0.000 0.864 66 R HN 0.371 nan 8.270 nan 0.000 0.440 67 A N 1.173 123.988 122.820 -0.008 0.000 1.933 67 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 67 A C 2.321 179.881 177.584 -0.040 0.000 1.175 67 A CA 1.618 53.652 52.037 -0.006 0.000 0.628 67 A CB -0.499 18.502 19.000 0.002 0.000 0.814 67 A HN 0.386 nan 8.150 nan 0.000 0.444 68 A N -0.381 122.403 122.820 -0.060 0.000 1.930 68 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 68 A C 2.086 179.607 177.584 -0.104 0.000 1.175 68 A CA 1.269 53.225 52.037 -0.136 0.000 0.627 68 A CB -0.522 18.407 19.000 -0.119 0.000 0.815 68 A HN 0.457 nan 8.150 nan 0.000 0.443 69 L N -0.374 120.820 121.223 -0.048 0.000 2.191 69 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 69 L C 2.415 179.223 176.870 -0.104 0.000 1.103 69 L CA 0.874 55.682 54.840 -0.052 0.000 0.769 69 L CB -0.434 41.638 42.059 0.022 0.000 0.908 69 L HN 0.345 nan 8.230 nan 0.000 0.438 70 E N 0.204 120.390 120.200 -0.022 0.000 2.160 70 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 70 E C 2.226 178.736 176.600 -0.150 0.000 0.991 70 E CA 1.252 57.664 56.400 0.019 0.000 0.810 70 E CB -0.077 29.671 29.700 0.080 0.000 0.742 70 E HN 0.545 nan 8.360 nan 0.000 0.466 71 L N -0.299 120.828 121.223 -0.159 0.000 2.168 71 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 71 L C 2.544 179.278 176.870 -0.228 0.000 1.078 71 L CA 0.360 55.093 54.840 -0.179 0.000 0.780 71 L CB -0.326 41.641 42.059 -0.154 0.000 0.939 71 L HN 0.071 nan 8.230 nan 0.000 0.451 72 L N -0.018 121.074 121.223 -0.218 0.000 2.072 72 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 72 L C 2.916 179.636 176.870 -0.249 0.000 1.079 72 L CA 1.109 55.829 54.840 -0.201 0.000 0.752 72 L CB -0.710 41.261 42.059 -0.146 0.000 0.906 72 L HN 0.215 nan 8.230 nan 0.000 0.436 73 A N 0.743 123.347 122.820 -0.360 0.000 1.858 73 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 73 A C -0.086 177.205 177.584 -0.488 0.000 1.190 73 A CA 1.658 53.439 52.037 -0.427 0.000 0.617 73 A CB -1.847 16.845 19.000 -0.514 0.000 0.827 73 A HN 0.281 nan 8.150 nan 0.000 0.443 74 P HA -0.064 nan 4.420 nan 0.000 0.220 74 P C 1.485 178.662 177.300 -0.206 0.000 1.148 74 P CA 1.682 64.544 63.100 -0.397 0.000 0.803 74 P CB -0.122 31.368 31.700 -0.349 0.000 0.782 75 A N -0.081 122.616 122.820 -0.204 0.000 2.067 75 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 75 A C 1.953 179.476 177.584 -0.102 0.000 1.158 75 A CA 1.344 53.301 52.037 -0.133 0.000 0.661 75 A CB -1.356 17.564 19.000 -0.133 0.000 0.801 75 A HN 0.391 nan 8.150 nan 0.000 0.452 76 I N -3.707 116.799 120.570 -0.108 0.000 3.968 76 I HA 0.324 4.494 4.170 -0.000 0.000 0.328 76 I C 0.044 176.126 176.117 -0.057 0.000 1.290 76 I CA -0.436 60.821 61.300 -0.071 0.000 1.163 76 I CB -0.037 37.929 38.000 -0.057 0.000 1.024 76 I HN -0.051 nan 8.210 nan 0.000 0.413 77 L N 3.339 124.524 121.223 -0.063 0.000 2.559 77 L HA 0.125 4.465 4.340 -0.000 0.000 0.282 77 L C 1.523 178.374 176.870 -0.031 0.000 1.232 77 L CA 1.387 56.205 54.840 -0.037 0.000 0.885 77 L CB 0.093 42.139 42.059 -0.023 0.000 1.131 77 L HN 0.645 nan 8.230 nan 0.000 0.498 78 G N 2.532 111.317 108.800 -0.025 0.000 2.205 78 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.261 78 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.261 78 G C 0.314 175.196 174.900 -0.029 0.000 0.980 78 G CA 0.119 45.204 45.100 -0.024 0.000 0.632 78 G HN 0.481 nan 8.290 nan 0.000 0.533 79 M N 0.666 120.246 119.600 -0.033 0.000 2.202 79 M HA 0.342 4.822 4.480 -0.000 0.000 0.316 79 M C 0.126 176.401 176.300 -0.042 0.000 1.138 79 M CA -0.417 54.861 55.300 -0.037 0.000 1.151 79 M CB 0.461 33.039 32.600 -0.036 0.000 1.422 79 M HN 0.114 nan 8.290 nan 0.000 0.471 80 D N 2.744 123.115 120.400 -0.049 0.000 2.339 80 D HA 0.166 4.806 4.640 -0.000 0.000 0.241 80 D C -1.754 174.501 176.300 -0.075 0.000 1.183 80 D CA -1.940 52.023 54.000 -0.060 0.000 0.859 80 D CB 1.084 41.845 40.800 -0.065 0.000 1.067 80 D HN 0.218 nan 8.370 nan 0.000 0.484 81 P HA -0.064 nan 4.420 nan 0.000 0.231 81 P C 0.792 178.001 177.300 -0.151 0.000 1.158 81 P CA 0.572 63.620 63.100 -0.087 0.000 0.763 81 P CB 0.309 31.968 31.700 -0.068 0.000 0.805 82 R N -0.453 119.953 120.500 -0.157 0.000 2.275 82 R HA 0.083 4.423 4.340 -0.000 0.000 0.199 82 R C 1.201 177.345 176.300 -0.260 0.000 0.989 82 R CA 0.399 56.369 56.100 -0.216 0.000 1.016 82 R CB -0.186 30.019 30.300 -0.159 0.000 0.918 82 R HN 0.350 nan 8.270 nan 0.000 0.473 83 Q N 1.452 121.122 119.800 -0.216 0.000 3.150 83 Q HA 0.030 4.370 4.340 -0.000 0.000 0.297 83 Q C 0.582 176.441 176.000 -0.234 0.000 1.382 83 Q CA -0.219 55.428 55.803 -0.260 0.000 1.059 83 Q CB 0.378 29.020 28.738 -0.159 0.000 1.559 83 Q HN 0.553 nan 8.270 nan 0.000 0.548 84 H N -0.369 118.594 119.070 -0.178 0.000 2.390 84 H HA -0.168 4.388 4.556 -0.000 0.000 0.298 84 H C 0.241 175.623 175.328 0.090 0.000 1.106 84 H CA 1.254 57.248 56.048 -0.090 0.000 1.297 84 H CB 0.277 29.922 29.762 -0.194 0.000 1.375 84 H HN 0.341 nan 8.280 nan 0.000 0.509 85 D N 0.725 121.119 120.400 -0.010 0.000 2.149 85 D HA -0.060 4.580 4.640 -0.000 0.000 0.201 85 D C 2.442 178.831 176.300 0.147 0.000 0.972 85 D CA 0.541 54.622 54.000 0.135 0.000 0.835 85 D CB -0.017 40.811 40.800 0.047 0.000 0.966 85 D HN 0.296 nan 8.370 nan 0.000 0.476 86 R N 0.380 120.900 120.500 0.034 0.000 2.090 86 R HA 0.065 4.405 4.340 -0.000 0.000 0.228 86 R C 2.496 178.832 176.300 0.059 0.000 1.110 86 R CA 0.239 56.360 56.100 0.035 0.000 0.973 86 R CB -0.659 29.629 30.300 -0.021 0.000 0.869 86 R HN 0.313 nan 8.270 nan 0.000 0.440 87 I N -0.082 120.532 120.570 0.074 0.000 2.226 87 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 87 I C 2.508 178.715 176.117 0.150 0.000 1.100 87 I CA 1.117 62.469 61.300 0.085 0.000 1.374 87 I CB -0.345 37.707 38.000 0.086 0.000 1.057 87 I HN 0.269 nan 8.210 nan 0.000 0.413 88 W N 2.449 123.776 121.300 0.046 0.000 2.335 88 W HA -0.256 4.403 4.660 -0.000 0.000 0.311 88 W C 1.995 178.535 176.519 0.035 0.000 1.213 88 W CA 1.847 59.229 57.345 0.062 0.000 1.274 88 W CB -0.234 29.285 29.460 0.099 0.000 1.148 88 W HN 0.217 nan 8.180 nan 0.000 0.498 89 D N 0.057 120.553 120.400 0.160 0.000 2.123 89 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 89 D C 2.028 178.295 176.300 -0.054 0.000 0.992 89 D CA 1.790 55.813 54.000 0.037 0.000 0.833 89 D CB -0.504 40.342 40.800 0.076 0.000 0.954 89 D HN 0.093 nan 8.370 nan 0.000 0.455 90 R N 0.460 120.936 120.500 -0.040 0.000 2.096 90 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 90 R C 2.199 178.428 176.300 -0.118 0.000 1.127 90 R CA 1.131 57.191 56.100 -0.066 0.000 0.968 90 R CB -0.400 29.871 30.300 -0.047 0.000 0.861 90 R HN 0.166 nan 8.270 nan 0.000 0.440 91 M N -0.422 119.076 119.600 -0.170 0.000 2.132 91 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 91 M C 2.317 178.448 176.300 -0.282 0.000 1.065 91 M CA 1.726 56.882 55.300 -0.240 0.000 1.122 91 M CB -0.249 32.171 32.600 -0.300 0.000 1.365 91 M HN 0.110 nan 8.290 nan 0.000 0.411 92 R N 0.376 120.665 120.500 -0.352 0.000 2.081 92 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 92 R C 1.503 177.712 176.300 -0.151 0.000 1.131 92 R CA 1.295 57.229 56.100 -0.278 0.000 0.960 92 R CB -0.337 29.805 30.300 -0.262 0.000 0.856 92 R HN 0.354 nan 8.270 nan 0.000 0.436 93 D N -0.760 119.568 120.400 -0.121 0.000 2.312 93 D HA -0.059 4.581 4.640 -0.000 0.000 0.211 93 D C 1.430 177.680 176.300 -0.084 0.000 0.964 93 D CA 1.094 55.046 54.000 -0.080 0.000 0.877 93 D CB 0.072 40.836 40.800 -0.061 0.000 0.924 93 D HN 0.183 nan 8.370 nan 0.000 0.515 94 T N 0.029 114.518 114.554 -0.108 0.000 2.939 94 T HA 0.108 4.458 4.350 -0.000 0.000 0.254 94 T C 0.601 175.232 174.700 -0.115 0.000 1.041 94 T CA 0.210 62.245 62.100 -0.109 0.000 1.142 94 T CB 0.508 69.300 68.868 -0.128 0.000 0.874 94 T HN -0.027 nan 8.240 nan 0.000 0.452 95 L N 0.858 122.005 121.223 -0.127 0.000 2.614 95 L HA 0.461 4.801 4.340 -0.000 0.000 0.264 95 L C -1.011 175.814 176.870 -0.076 0.000 0.940 95 L CA -0.761 54.005 54.840 -0.122 0.000 0.903 95 L CB 1.649 43.590 42.059 -0.196 0.000 1.306 95 L HN -0.203 nan 8.230 nan 0.000 0.410 96 K N 3.620 124.011 120.400 -0.015 0.000 2.326 96 K HA 0.574 4.894 4.320 -0.000 0.000 0.275 96 K C 0.831 177.511 176.600 0.133 0.000 1.018 96 K CA 1.056 57.357 56.287 0.023 0.000 0.962 96 K CB 0.453 32.968 32.500 0.026 0.000 0.953 96 K HN 1.030 nan 8.250 nan 0.000 0.475 97 G N 2.848 111.685 108.800 0.062 0.000 2.566 97 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.280 97 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.280 97 G C -0.491 174.489 174.900 0.132 0.000 1.225 97 G CA 0.417 45.551 45.100 0.057 0.000 0.966 97 G HN 1.077 nan 8.290 nan 0.000 0.560 98 H N -0.697 118.367 119.070 -0.010 0.000 2.626 98 H HA -0.153 4.403 4.556 -0.000 0.000 0.317 98 H C 1.757 177.085 175.328 -0.000 0.000 1.140 98 H CA 1.270 57.316 56.048 -0.003 0.000 1.134 98 H CB -1.098 28.650 29.762 -0.023 0.000 1.486 98 H HN 0.643 nan 8.280 nan 0.000 0.417 99 R N 0.582 121.136 120.500 0.091 0.000 2.148 99 R HA -0.121 4.219 4.340 -0.000 0.000 0.227 99 R C 1.886 178.270 176.300 0.140 0.000 1.103 99 R CA 1.344 57.519 56.100 0.126 0.000 0.983 99 R CB -0.013 30.392 30.300 0.174 0.000 0.874 99 R HN 0.657 nan 8.270 nan 0.000 0.451 100 D N 0.802 121.274 120.400 0.120 0.000 2.123 100 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 100 D C 1.620 177.989 176.300 0.114 0.000 0.992 100 D CA 1.618 55.690 54.000 0.120 0.000 0.833 100 D CB -0.249 40.617 40.800 0.110 0.000 0.954 100 D HN 0.219 nan 8.370 nan 0.000 0.455 101 A N 0.960 123.844 122.820 0.107 0.000 1.897 101 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 101 A C 2.408 180.035 177.584 0.071 0.000 1.181 101 A CA 1.000 53.084 52.037 0.078 0.000 0.620 101 A CB -0.482 18.551 19.000 0.055 0.000 0.821 101 A HN 0.115 nan 8.150 nan 0.000 0.443 102 R N -0.262 120.278 120.500 0.066 0.000 2.105 102 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 102 R C 2.445 178.851 176.300 0.176 0.000 1.135 102 R CA 1.203 57.348 56.100 0.074 0.000 0.967 102 R CB -0.524 29.780 30.300 0.006 0.000 0.861 102 R HN 0.521 nan 8.270 nan 0.000 0.442 103 A N 1.446 124.377 122.820 0.185 0.000 1.865 103 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 103 A C 2.423 180.106 177.584 0.165 0.000 1.191 103 A CA 1.926 54.076 52.037 0.188 0.000 0.623 103 A CB -0.783 18.310 19.000 0.155 0.000 0.826 103 A HN 0.417 nan 8.150 nan 0.000 0.444 104 A N -0.537 122.369 122.820 0.143 0.000 1.902 104 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 104 A C 2.202 179.870 177.584 0.140 0.000 1.181 104 A CA 1.583 53.706 52.037 0.143 0.000 0.623 104 A CB -0.590 18.491 19.000 0.136 0.000 0.818 104 A HN 0.486 nan 8.150 nan 0.000 0.443 105 L N -0.957 120.340 121.223 0.123 0.000 2.072 105 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 105 L C 2.390 179.352 176.870 0.152 0.000 1.079 105 L CA 1.744 56.647 54.840 0.105 0.000 0.752 105 L CB -0.581 41.517 42.059 0.065 0.000 0.906 105 L HN 0.475 nan 8.230 nan 0.000 0.436 106 D N 0.468 120.998 120.400 0.216 0.000 2.097 106 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 106 D C 2.154 178.664 176.300 0.351 0.000 0.989 106 D CA 1.291 55.483 54.000 0.318 0.000 0.827 106 D CB 0.048 41.086 40.800 0.396 0.000 0.966 106 D HN 0.220 nan 8.370 nan 0.000 0.456 107 I N 0.535 121.255 120.570 0.249 0.000 2.179 107 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 107 I C 2.507 178.760 176.117 0.225 0.000 1.088 107 I CA 1.135 62.564 61.300 0.216 0.000 1.357 107 I CB -0.365 37.723 38.000 0.148 0.000 1.051 107 I HN 0.069 nan 8.210 nan 0.000 0.409 108 A N -0.210 122.717 122.820 0.178 0.000 1.933 108 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 108 A C 2.433 180.077 177.584 0.100 0.000 1.175 108 A CA 1.925 54.036 52.037 0.122 0.000 0.628 108 A CB -1.252 17.780 19.000 0.054 0.000 0.814 108 A HN 0.561 nan 8.150 nan 0.000 0.444 109 C N -3.003 116.365 119.300 0.113 0.000 2.446 109 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 109 C C 2.367 177.370 174.990 0.021 0.000 1.275 109 C CA 0.474 59.517 59.018 0.040 0.000 1.727 109 C CB -1.722 26.029 27.740 0.017 0.000 2.010 109 C HN 0.834 nan 8.230 nan 0.000 0.486 110 W N 1.134 122.450 121.300 0.027 0.000 2.388 110 W HA -0.094 4.566 4.660 -0.000 0.000 0.294 110 W C 2.268 178.777 176.519 -0.015 0.000 1.212 110 W CA 1.649 58.994 57.345 -0.000 0.000 1.271 110 W CB -0.524 28.919 29.460 -0.028 0.000 1.126 110 W HN 0.338 nan 8.180 nan 0.000 0.535 111 D N 0.386 120.917 120.400 0.218 0.000 2.092 111 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 111 D C 1.920 178.268 176.300 0.079 0.000 0.994 111 D CA 1.776 55.854 54.000 0.130 0.000 0.828 111 D CB -0.465 40.423 40.800 0.147 0.000 0.963 111 D HN 0.106 nan 8.370 nan 0.000 0.450 112 I N 0.636 121.237 120.570 0.051 0.000 2.118 112 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 112 I C 2.556 178.669 176.117 -0.007 0.000 1.070 112 I CA 1.424 62.730 61.300 0.010 0.000 1.327 112 I CB -0.364 37.625 38.000 -0.018 0.000 1.034 112 I HN 0.046 nan 8.210 nan 0.000 0.405 113 A N 0.507 123.307 122.820 -0.033 0.000 1.902 113 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 113 A C 2.515 180.088 177.584 -0.018 0.000 1.181 113 A CA 1.997 53.989 52.037 -0.075 0.000 0.623 113 A CB -0.933 17.937 19.000 -0.217 0.000 0.818 113 A HN 0.459 nan 8.150 nan 0.000 0.443 114 A N -0.925 121.916 122.820 0.035 0.000 1.930 114 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 114 A C 2.117 179.711 177.584 0.017 0.000 1.175 114 A CA 1.609 53.670 52.037 0.040 0.000 0.627 114 A CB -0.536 18.489 19.000 0.042 0.000 0.815 114 A HN 0.654 nan 8.150 nan 0.000 0.443 115 Q N -0.685 119.126 119.800 0.019 0.000 2.084 115 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 115 Q C 2.372 178.378 176.000 0.010 0.000 0.978 115 Q CA 1.480 57.294 55.803 0.018 0.000 0.844 115 Q CB -0.369 28.386 28.738 0.028 0.000 0.898 115 Q HN 0.686 nan 8.270 nan 0.000 0.426 116 A N 0.563 123.383 122.820 -0.000 0.000 2.015 116 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 116 A C 2.063 179.644 177.584 -0.005 0.000 1.163 116 A CA 1.373 53.406 52.037 -0.007 0.000 0.646 116 A CB -0.350 18.638 19.000 -0.021 0.000 0.806 116 A HN 0.367 nan 8.150 nan 0.000 0.448 117 A N -1.682 121.137 122.820 -0.002 0.000 2.218 117 A HA 0.428 4.747 4.320 -0.000 0.000 0.209 117 A C 1.686 179.274 177.584 0.008 0.000 1.168 117 A CA 1.060 53.099 52.037 0.002 0.000 0.804 117 A CB -0.819 18.185 19.000 0.007 0.000 0.834 117 A HN 1.820 nan 8.150 nan 0.000 0.482 118 G N -0.814 107.992 108.800 0.009 0.000 2.221 118 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.265 118 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.265 118 G C -0.167 174.742 174.900 0.014 0.000 1.041 118 G CA 0.618 45.725 45.100 0.012 0.000 0.807 118 G HN 0.500 nan 8.290 nan 0.000 0.502 119 L N 0.331 121.562 121.223 0.013 0.000 2.370 119 L HA 0.574 4.914 4.340 -0.000 0.000 0.266 119 L C -1.965 174.904 176.870 -0.002 0.000 1.002 119 L CA -2.717 52.131 54.840 0.013 0.000 0.818 119 L CB 2.656 44.727 42.059 0.019 0.000 1.325 119 L HN -0.112 nan 8.230 nan 0.000 0.418 120 P HA -0.003 nan 4.420 nan 0.000 0.272 120 P C 0.543 177.764 177.300 -0.132 0.000 1.223 120 P CA -0.399 62.679 63.100 -0.038 0.000 0.784 120 P CB 1.141 32.903 31.700 0.102 0.000 0.923 121 L N 3.855 124.810 121.223 -0.446 0.000 2.079 121 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 121 L C 2.456 179.249 176.870 -0.129 0.000 1.081 121 L CA 2.101 56.737 54.840 -0.339 0.000 0.752 121 L CB -1.330 40.402 42.059 -0.545 0.000 0.896 121 L HN 0.570 nan 8.230 nan 0.000 0.433 122 C N -2.181 117.153 119.300 0.058 0.000 2.422 122 C HA -0.083 4.377 4.460 -0.000 0.000 0.279 122 C C 2.091 177.104 174.990 0.038 0.000 1.305 122 C CA 0.570 59.657 59.018 0.115 0.000 1.757 122 C CB -1.413 26.441 27.740 0.190 0.000 1.962 122 C HN 0.533 nan 8.230 nan 0.000 0.499 123 D N 0.250 120.672 120.400 0.037 0.000 2.323 123 D HA 0.068 4.708 4.640 -0.000 0.000 0.209 123 D C 2.132 178.450 176.300 0.030 0.000 0.973 123 D CA 0.715 54.731 54.000 0.027 0.000 0.874 123 D CB -0.244 40.573 40.800 0.028 0.000 0.930 123 D HN 0.498 nan 8.370 nan 0.000 0.521 124 M N 0.133 119.756 119.600 0.038 0.000 2.541 124 M HA 0.002 4.482 4.480 -0.000 0.000 0.252 124 M C 0.881 177.240 176.300 0.100 0.000 1.125 124 M CA 0.829 56.184 55.300 0.092 0.000 1.091 124 M CB 0.092 32.783 32.600 0.151 0.000 1.420 124 M HN -0.051 nan 8.290 nan 0.000 0.486 125 T N -3.311 111.248 114.554 0.009 0.000 3.275 125 T HA 0.554 4.903 4.350 -0.000 0.000 0.265 125 T C 0.980 175.651 174.700 -0.049 0.000 0.978 125 T CA 0.327 62.386 62.100 -0.068 0.000 0.923 125 T CB 0.326 69.073 68.868 -0.201 0.000 1.126 125 T HN 0.487 nan 8.240 nan 0.000 0.538 126 G N -0.151 108.644 108.800 -0.009 0.000 2.481 126 G HA2 0.341 4.301 3.960 -0.000 0.000 0.200 126 G HA3 0.341 4.301 3.960 -0.000 0.000 0.200 126 G C 0.563 175.462 174.900 -0.002 0.000 1.012 126 G CA -0.118 44.977 45.100 -0.008 0.000 0.676 126 G HN 1.940 nan 8.290 nan 0.000 0.488 127 G N -0.594 108.205 108.800 -0.002 0.000 2.697 127 G HA2 0.396 4.356 3.960 -0.000 0.000 0.684 127 G HA3 0.396 4.356 3.960 -0.000 0.000 0.684 127 G C -0.395 174.503 174.900 -0.003 0.000 1.274 127 G CA 0.414 45.516 45.100 0.003 0.000 0.806 127 G HN 1.058 nan 8.290 nan 0.000 0.644 128 R N 0.941 121.442 120.500 0.002 0.000 2.480 128 R HA 0.319 4.659 4.340 -0.000 0.000 0.303 128 R C 0.514 176.806 176.300 -0.014 0.000 0.985 128 R CA -0.235 55.862 56.100 -0.006 0.000 1.051 128 R CB 0.230 30.529 30.300 -0.002 0.000 0.935 128 R HN 0.457 nan 8.270 nan 0.000 0.410 129 V N 4.670 124.571 119.914 -0.023 0.000 2.583 129 V HA 0.195 4.315 4.120 -0.000 0.000 0.287 129 V C 0.690 176.769 176.094 -0.026 0.000 1.051 129 V CA -0.274 62.012 62.300 -0.023 0.000 1.010 129 V CB 1.145 32.951 31.823 -0.029 0.000 0.988 129 V HN 0.977 nan 8.190 nan 0.000 0.478 130 A N 4.239 127.047 122.820 -0.021 0.000 2.531 130 A HA 0.576 4.896 4.320 -0.000 0.000 0.236 130 A C 0.936 178.502 177.584 -0.030 0.000 1.062 130 A CA 0.727 52.750 52.037 -0.023 0.000 0.760 130 A CB -0.578 18.411 19.000 -0.018 0.000 0.995 130 A HN 2.254 nan 8.150 nan 0.000 0.501 131 G N 1.905 110.687 108.800 -0.032 0.000 2.746 131 G HA2 0.048 4.008 3.960 -0.000 0.000 0.685 131 G HA3 0.048 4.008 3.960 -0.000 0.000 0.685 131 G C -2.990 171.882 174.900 -0.046 0.000 1.350 131 G CA -0.448 44.630 45.100 -0.037 0.000 0.837 131 G HN 0.820 nan 8.290 nan 0.000 0.564 132 P HA 0.448 nan 4.420 nan 0.000 0.274 132 P C 0.169 177.432 177.300 -0.062 0.000 1.237 132 P CA -0.581 62.485 63.100 -0.056 0.000 0.793 132 P CB 0.914 32.579 31.700 -0.058 0.000 0.977 133 V N 4.442 124.318 119.914 -0.064 0.000 2.488 133 V HA 0.169 4.289 4.120 -0.000 0.000 0.277 133 V C -1.966 174.094 176.094 -0.057 0.000 1.046 133 V CA -1.438 60.822 62.300 -0.066 0.000 0.986 133 V CB 0.442 32.223 31.823 -0.069 0.000 0.989 133 V HN 0.559 nan 8.190 nan 0.000 0.475 134 P HA 0.121 nan 4.420 nan 0.000 0.267 134 P C -0.585 176.699 177.300 -0.026 0.000 1.205 134 P CA 0.131 63.192 63.100 -0.064 0.000 0.765 134 P CB 0.568 32.218 31.700 -0.083 0.000 0.828 135 V N 5.648 125.568 119.914 0.009 0.000 2.472 135 V HA 0.283 4.403 4.120 -0.000 0.000 0.290 135 V C 0.658 176.852 176.094 0.167 0.000 1.037 135 V CA -0.765 61.593 62.300 0.096 0.000 0.908 135 V CB 1.592 33.496 31.823 0.134 0.000 0.985 135 V HN 0.488 nan 8.190 nan 0.000 0.454 136 I N 4.042 124.675 120.570 0.104 0.000 2.575 136 I HA 0.244 4.414 4.170 -0.000 0.000 0.285 136 I C 0.758 176.840 176.117 -0.058 0.000 1.085 136 I CA 0.531 61.863 61.300 0.053 0.000 1.403 136 I CB 1.316 39.351 38.000 0.059 0.000 1.409 136 I HN 0.787 nan 8.210 nan 0.000 0.557 137 S N 5.486 121.068 115.700 -0.196 0.000 2.525 137 S HA 0.429 4.899 4.470 -0.000 0.000 0.278 137 S C -0.392 174.172 174.600 -0.061 0.000 1.234 137 S CA -0.590 57.388 58.200 -0.369 0.000 1.058 137 S CB 1.000 63.979 63.200 -0.368 0.000 0.983 137 S HN 0.604 nan 8.310 nan 0.000 0.495 138 S N 4.450 120.127 115.700 -0.039 0.000 2.437 138 S HA 0.532 5.002 4.470 -0.000 0.000 0.305 138 S C -0.545 174.103 174.600 0.079 0.000 1.109 138 S CA -0.808 57.406 58.200 0.023 0.000 1.099 138 S CB 0.591 63.779 63.200 -0.021 0.000 1.004 138 S HN 0.691 nan 8.310 nan 0.000 0.475 139 I N 3.288 123.889 120.570 0.052 0.000 2.405 139 I HA 0.324 4.494 4.170 -0.000 0.000 0.280 139 I C 0.997 177.113 176.117 -0.001 0.000 1.027 139 I CA -0.379 60.926 61.300 0.009 0.000 1.161 139 I CB 0.294 38.295 38.000 0.000 0.000 1.300 139 I HN 0.705 nan 8.210 nan 0.000 0.463 140 G N 3.987 112.784 108.800 -0.004 0.000 2.594 140 G HA2 0.378 4.338 3.960 -0.000 0.000 0.243 140 G HA3 0.378 4.338 3.960 -0.000 0.000 0.243 140 G C 0.516 175.414 174.900 -0.004 0.000 1.229 140 G CA -0.408 44.694 45.100 0.003 0.000 0.843 140 G HN 0.747 nan 8.290 nan 0.000 0.578 141 G N 0.063 108.866 108.800 0.005 0.000 2.272 141 G HA2 0.426 4.385 3.960 -0.000 0.000 0.247 141 G HA3 0.426 4.385 3.960 -0.000 0.000 0.247 141 G C -0.359 174.541 174.900 -0.001 0.000 1.272 141 G CA 0.226 45.328 45.100 0.003 0.000 0.921 141 G HN 0.645 nan 8.290 nan 0.000 0.495 142 D N -0.468 119.927 120.400 -0.008 0.000 2.865 142 D HA 0.305 4.945 4.640 -0.000 0.000 0.343 142 D C 0.475 176.765 176.300 -0.015 0.000 1.372 142 D CA -0.029 53.964 54.000 -0.012 0.000 0.862 142 D CB 0.686 41.474 40.800 -0.020 0.000 1.425 142 D HN 0.581 nan 8.370 nan 0.000 0.501 143 T N -0.804 113.740 114.554 -0.018 0.000 2.903 143 T HA 0.257 4.606 4.350 -0.000 0.000 0.314 143 T C -1.773 172.909 174.700 -0.029 0.000 1.078 143 T CA -0.550 61.538 62.100 -0.020 0.000 1.114 143 T CB 1.041 69.897 68.868 -0.019 0.000 0.987 143 T HN 0.078 nan 8.240 nan 0.000 0.548 144 P HA -0.124 nan 4.420 nan 0.000 0.215 144 P C 1.670 178.942 177.300 -0.047 0.000 1.157 144 P CA 1.080 64.156 63.100 -0.041 0.000 0.874 144 P CB 0.087 31.763 31.700 -0.040 0.000 0.790 145 E N -0.691 119.485 120.200 -0.040 0.000 2.106 145 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 145 E C 2.079 178.653 176.600 -0.044 0.000 0.984 145 E CA 1.367 57.743 56.400 -0.040 0.000 0.806 145 E CB -0.939 28.742 29.700 -0.032 0.000 0.750 145 E HN 0.170 nan 8.360 nan 0.000 0.458 146 A N 1.153 123.948 122.820 -0.041 0.000 1.902 146 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 146 A C 2.304 179.851 177.584 -0.062 0.000 1.181 146 A CA 1.547 53.557 52.037 -0.045 0.000 0.623 146 A CB -0.504 18.475 19.000 -0.036 0.000 0.818 146 A HN 0.153 nan 8.150 nan 0.000 0.443 147 M N -1.360 118.203 119.600 -0.062 0.000 2.117 147 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 147 M C 2.383 178.625 176.300 -0.096 0.000 1.065 147 M CA 1.854 57.109 55.300 -0.076 0.000 1.114 147 M CB -0.303 32.261 32.600 -0.061 0.000 1.361 147 M HN 0.501 nan 8.290 nan 0.000 0.408 148 R N 0.594 121.044 120.500 -0.084 0.000 2.096 148 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 148 R C 2.089 178.339 176.300 -0.084 0.000 1.127 148 R CA 1.659 57.706 56.100 -0.088 0.000 0.968 148 R CB -0.206 30.049 30.300 -0.074 0.000 0.861 148 R HN 0.358 nan 8.270 nan 0.000 0.440 149 A N 0.874 123.649 122.820 -0.075 0.000 1.929 149 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 149 A C 2.054 179.580 177.584 -0.097 0.000 1.176 149 A CA 1.320 53.318 52.037 -0.065 0.000 0.628 149 A CB -0.364 18.607 19.000 -0.049 0.000 0.816 149 A HN 0.344 nan 8.150 nan 0.000 0.444 150 K N -0.276 120.036 120.400 -0.147 0.000 2.057 150 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 150 K C 1.838 178.214 176.600 -0.373 0.000 1.049 150 K CA 1.459 57.578 56.287 -0.280 0.000 0.931 150 K CB -0.256 32.069 32.500 -0.292 0.000 0.714 150 K HN 0.225 nan 8.250 nan 0.000 0.440 151 V N 1.244 121.014 119.914 -0.240 0.000 2.332 151 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 151 V C 2.364 178.426 176.094 -0.053 0.000 1.055 151 V CA 2.087 64.266 62.300 -0.202 0.000 1.038 151 V CB -0.679 30.996 31.823 -0.248 0.000 0.651 151 V HN 0.484 nan 8.190 nan 0.000 0.450 152 A N -0.460 122.333 122.820 -0.044 0.000 1.902 152 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 152 A C 2.373 179.998 177.584 0.069 0.000 1.181 152 A CA 1.952 54.002 52.037 0.021 0.000 0.623 152 A CB -0.511 18.489 19.000 0.001 0.000 0.818 152 A HN 0.502 nan 8.150 nan 0.000 0.443 153 R N -1.636 118.887 120.500 0.040 0.000 2.081 153 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 153 R C 2.160 178.624 176.300 0.274 0.000 1.131 153 R CA 1.569 57.735 56.100 0.109 0.000 0.960 153 R CB -0.387 29.948 30.300 0.060 0.000 0.856 153 R HN 0.629 nan 8.270 nan 0.000 0.436 154 H N -0.219 118.929 119.070 0.130 0.000 2.389 154 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 154 H C 1.941 177.486 175.328 0.361 0.000 1.081 154 H CA 1.163 57.342 56.048 0.218 0.000 1.345 154 H CB -0.183 29.636 29.762 0.096 0.000 1.393 154 H HN 0.137 nan 8.280 nan 0.000 0.520 155 R N 0.682 121.429 120.500 0.412 0.000 2.083 155 R HA -0.122 4.217 4.340 -0.000 0.000 0.237 155 R C 2.276 178.704 176.300 0.213 0.000 1.137 155 R CA 1.383 57.669 56.100 0.309 0.000 0.951 155 R CB -0.260 30.175 30.300 0.224 0.000 0.851 155 R HN 0.284 nan 8.270 nan 0.000 0.434 156 A N 0.674 123.602 122.820 0.180 0.000 1.978 156 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 156 A C 1.874 179.528 177.584 0.117 0.000 1.170 156 A CA 1.473 53.585 52.037 0.125 0.000 0.636 156 A CB -0.326 18.736 19.000 0.105 0.000 0.810 156 A HN 0.559 nan 8.150 nan 0.000 0.448 157 Q N -1.984 117.924 119.800 0.181 0.000 2.444 157 Q HA 0.263 4.603 4.340 -0.000 0.000 0.206 157 Q C 1.126 177.107 176.000 -0.031 0.000 0.948 157 Q CA 0.413 56.292 55.803 0.126 0.000 0.946 157 Q CB 0.193 29.089 28.738 0.263 0.000 1.027 157 Q HN 0.877 nan 8.270 nan 0.000 0.513 158 G N 0.242 109.047 108.800 0.007 0.000 2.179 158 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 158 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 158 G C -0.185 174.610 174.900 -0.176 0.000 0.990 158 G CA -0.657 44.377 45.100 -0.110 0.000 0.646 158 G HN 0.226 nan 8.290 nan 0.000 0.517 159 F N 0.670 120.605 119.950 -0.024 0.000 2.484 159 F HA 0.564 5.091 4.527 -0.000 0.000 0.360 159 F C 1.512 177.239 175.800 -0.122 0.000 1.101 159 F CA 0.468 58.405 58.000 -0.105 0.000 1.251 159 F CB 1.243 40.151 39.000 -0.153 0.000 1.132 159 F HN -0.041 nan 8.300 nan 0.000 0.570 160 K N 1.371 121.763 120.400 -0.012 0.000 2.329 160 K HA 0.248 4.568 4.320 -0.000 0.000 0.198 160 K C 0.714 177.216 176.600 -0.163 0.000 1.085 160 K CA 0.187 56.455 56.287 -0.033 0.000 0.961 160 K CB 0.541 33.040 32.500 -0.003 0.000 0.971 160 K HN 0.713 nan 8.250 nan 0.000 0.502 161 G N 0.276 108.955 108.800 -0.202 0.000 2.356 161 G HA2 0.359 4.319 3.960 -0.000 0.000 0.322 161 G HA3 0.359 4.319 3.960 -0.000 0.000 0.322 161 G C -1.236 173.427 174.900 -0.395 0.000 1.125 161 G CA -0.389 44.648 45.100 -0.105 0.000 0.885 161 G HN 0.177 nan 8.290 nan 0.000 0.467 162 H N 0.774 119.765 119.070 -0.132 0.000 2.667 162 H HA 0.387 4.943 4.556 -0.000 0.000 0.353 162 H C -0.838 174.452 175.328 -0.063 0.000 1.072 162 H CA -0.521 55.463 56.048 -0.107 0.000 1.214 162 H CB 2.289 31.957 29.762 -0.156 0.000 1.600 162 H HN 0.471 nan 8.280 nan 0.000 0.527 163 S N 4.095 119.848 115.700 0.089 0.000 2.420 163 S HA 0.392 4.862 4.470 -0.000 0.000 0.313 163 S C 0.135 174.763 174.600 0.047 0.000 1.079 163 S CA -0.864 57.361 58.200 0.041 0.000 1.104 163 S CB -0.636 62.583 63.200 0.031 0.000 0.969 163 S HN 0.549 nan 8.310 nan 0.000 0.471 164 I N 2.572 123.162 120.570 0.033 0.000 2.354 164 I HA 0.647 4.817 4.170 -0.000 0.000 0.292 164 I C -0.419 175.697 176.117 -0.002 0.000 0.989 164 I CA -0.983 60.332 61.300 0.024 0.000 1.188 164 I CB 1.229 39.250 38.000 0.035 0.000 1.342 164 I HN 0.205 nan 8.210 nan 0.000 0.457 165 K N 7.972 128.369 120.400 -0.005 0.000 2.276 165 K HA 0.570 4.890 4.320 -0.000 0.000 0.283 165 K C -0.365 176.231 176.600 -0.006 0.000 1.044 165 K CA -0.275 56.007 56.287 -0.008 0.000 0.944 165 K CB 1.687 34.184 32.500 -0.005 0.000 1.012 165 K HN 0.840 nan 8.250 nan 0.000 0.472 166 I N -3.031 117.534 120.570 -0.008 0.000 3.042 166 I HA 0.807 4.977 4.170 -0.000 0.000 0.310 166 I C 0.195 176.304 176.117 -0.013 0.000 1.117 166 I CA -1.074 60.225 61.300 -0.001 0.000 1.003 166 I CB 2.544 40.546 38.000 0.004 0.000 1.228 166 I HN 0.547 nan 8.210 nan 0.000 0.443 167 G N 2.317 111.113 108.800 -0.007 0.000 2.481 167 G HA2 0.387 4.347 3.960 -0.000 0.000 0.234 167 G HA3 0.387 4.347 3.960 -0.000 0.000 0.234 167 G C -0.501 174.397 174.900 -0.004 0.000 2.038 167 G CA -0.257 44.805 45.100 -0.063 0.000 0.899 167 G HN 1.077 nan 8.290 nan 0.000 0.543 168 A N 0.915 123.789 122.820 0.091 0.000 2.331 168 A HA 0.842 5.162 4.320 -0.000 0.000 0.283 168 A C 1.114 178.792 177.584 0.157 0.000 1.142 168 A CA 0.491 52.598 52.037 0.117 0.000 0.812 168 A CB 0.563 19.634 19.000 0.117 0.000 1.074 168 A HN 2.073 nan 8.150 nan 0.000 0.497 169 S N 1.905 117.658 115.700 0.088 0.000 2.589 169 S HA 0.102 4.572 4.470 -0.000 0.000 0.265 169 S C 0.742 175.391 174.600 0.082 0.000 1.342 169 S CA -0.047 58.203 58.200 0.083 0.000 1.005 169 S CB 0.559 63.788 63.200 0.048 0.000 0.909 169 S HN 0.669 nan 8.310 nan 0.000 0.555 170 E N 1.579 121.819 120.200 0.068 0.000 2.085 170 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 170 E C 2.431 179.042 176.600 0.019 0.000 0.994 170 E CA 1.687 58.107 56.400 0.033 0.000 0.801 170 E CB -1.133 28.581 29.700 0.024 0.000 0.743 170 E HN 0.841 nan 8.360 nan 0.000 0.453 171 A N 1.369 124.203 122.820 0.022 0.000 1.908 171 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 171 A C 1.979 179.571 177.584 0.014 0.000 1.181 171 A CA 1.812 53.858 52.037 0.015 0.000 0.627 171 A CB -0.532 18.478 19.000 0.016 0.000 0.818 171 A HN 0.256 nan 8.150 nan 0.000 0.445 172 E N -2.084 118.129 120.200 0.021 0.000 2.347 172 E HA 0.197 4.546 4.350 -0.000 0.000 0.196 172 E C 1.231 177.839 176.600 0.013 0.000 1.008 172 E CA 0.458 56.870 56.400 0.019 0.000 0.852 172 E CB -0.061 29.656 29.700 0.028 0.000 0.783 172 E HN 0.766 nan 8.360 nan 0.000 0.505 173 G N -0.374 108.432 108.800 0.009 0.000 2.273 173 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.162 173 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.162 173 G C 0.711 175.598 174.900 -0.022 0.000 1.006 173 G CA -0.288 44.808 45.100 -0.007 0.000 0.704 173 G HN 0.629 nan 8.290 nan 0.000 0.487 174 G N 0.781 109.581 108.800 0.001 0.000 2.574 174 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.282 174 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.282 174 G C -0.616 174.184 174.900 -0.166 0.000 1.257 174 G CA 1.011 46.082 45.100 -0.049 0.000 0.956 174 G HN 0.648 nan 8.290 nan 0.000 0.560 175 P HA -0.018 nan 4.420 nan 0.000 0.216 175 P C 2.232 179.437 177.300 -0.157 0.000 1.150 175 P CA 3.170 66.003 63.100 -0.446 0.000 0.843 175 P CB -0.322 31.102 31.700 -0.461 0.000 0.787 176 A N -0.607 122.138 122.820 -0.125 0.000 1.902 176 A HA -0.192 4.127 4.320 -0.000 0.000 0.217 176 A C 2.140 179.696 177.584 -0.047 0.000 1.181 176 A CA 1.581 53.575 52.037 -0.072 0.000 0.623 176 A CB -1.681 17.282 19.000 -0.061 0.000 0.818 176 A HN 0.168 nan 8.150 nan 0.000 0.443 177 L N 0.193 121.395 121.223 -0.035 0.000 2.017 177 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 177 L C 1.656 178.524 176.870 -0.004 0.000 1.073 177 L CA 2.539 57.371 54.840 -0.014 0.000 0.745 177 L CB -0.710 41.350 42.059 0.001 0.000 0.894 177 L HN 0.362 nan 8.230 nan 0.000 0.432 178 D N -0.214 120.198 120.400 0.020 0.000 2.144 178 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 178 D C 2.157 178.457 176.300 0.000 0.000 0.984 178 D CA 1.438 55.460 54.000 0.036 0.000 0.834 178 D CB -0.075 40.797 40.800 0.120 0.000 0.955 178 D HN 0.515 nan 8.370 nan 0.000 0.465 179 A N 1.196 124.006 122.820 -0.016 0.000 1.902 179 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 179 A C 2.083 179.641 177.584 -0.044 0.000 1.181 179 A CA 1.393 53.410 52.037 -0.033 0.000 0.623 179 A CB -0.506 18.470 19.000 -0.041 0.000 0.818 179 A HN 0.182 nan 8.150 nan 0.000 0.443 180 E N -0.597 119.579 120.200 -0.040 0.000 2.106 180 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 180 E C 2.310 178.879 176.600 -0.051 0.000 0.984 180 E CA 0.968 57.342 56.400 -0.045 0.000 0.806 180 E CB -0.138 29.540 29.700 -0.038 0.000 0.750 180 E HN 0.534 nan 8.360 nan 0.000 0.458 181 R N 0.332 120.806 120.500 -0.043 0.000 2.081 181 R HA -0.105 4.234 4.340 -0.000 0.000 0.235 181 R C 2.339 178.597 176.300 -0.070 0.000 1.131 181 R CA 1.106 57.177 56.100 -0.048 0.000 0.960 181 R CB -0.229 30.053 30.300 -0.030 0.000 0.856 181 R HN 0.188 nan 8.270 nan 0.000 0.436 182 I N 0.266 120.793 120.570 -0.071 0.000 2.202 182 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 182 I C 2.655 178.687 176.117 -0.142 0.000 1.091 182 I CA 1.714 62.952 61.300 -0.103 0.000 1.368 182 I CB -0.568 37.381 38.000 -0.085 0.000 1.058 182 I HN 0.346 nan 8.210 nan 0.000 0.410 183 T N -0.571 113.916 114.554 -0.113 0.000 2.746 183 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 183 T C 2.000 176.621 174.700 -0.132 0.000 1.039 183 T CA 1.082 63.111 62.100 -0.119 0.000 1.142 183 T CB -0.562 68.255 68.868 -0.085 0.000 0.866 183 T HN 0.327 nan 8.240 nan 0.000 0.444 184 A N 0.832 123.585 122.820 -0.111 0.000 1.877 184 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 184 A C 2.802 180.303 177.584 -0.139 0.000 1.186 184 A CA 1.564 53.538 52.037 -0.105 0.000 0.620 184 A CB -1.477 17.475 19.000 -0.080 0.000 0.822 184 A HN 0.712 nan 8.150 nan 0.000 0.443 185 C N -0.507 118.694 119.300 -0.164 0.000 2.410 185 C HA -0.017 4.443 4.460 -0.000 0.000 0.281 185 C C 2.343 177.107 174.990 -0.377 0.000 1.318 185 C CA 0.902 59.795 59.018 -0.207 0.000 1.776 185 C CB -1.338 26.305 27.740 -0.162 0.000 1.942 185 C HN 0.576 nan 8.230 nan 0.000 0.508 186 L N 0.276 121.235 121.223 -0.440 0.000 2.567 186 L HA 0.104 4.444 4.340 -0.000 0.000 0.225 186 L C 2.668 179.371 176.870 -0.278 0.000 1.119 186 L CA 0.691 55.195 54.840 -0.560 0.000 0.871 186 L CB -0.782 40.974 42.059 -0.506 0.000 1.036 186 L HN 0.240 nan 8.230 nan 0.000 0.459 187 A N 0.198 122.906 122.820 -0.186 0.000 1.972 187 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 187 A C 1.419 178.960 177.584 -0.072 0.000 1.169 187 A CA 1.554 53.525 52.037 -0.111 0.000 0.635 187 A CB -0.202 18.745 19.000 -0.088 0.000 0.810 187 A HN 0.356 nan 8.150 nan 0.000 0.446 188 D N -0.481 119.882 120.400 -0.062 0.000 2.463 188 D HA 0.086 4.726 4.640 -0.000 0.000 0.224 188 D C 0.360 176.672 176.300 0.020 0.000 1.174 188 D CA -0.215 53.775 54.000 -0.017 0.000 0.829 188 D CB -0.069 40.725 40.800 -0.009 0.000 0.993 188 D HN 0.669 nan 8.370 nan 0.000 0.497 189 R N 0.675 121.184 120.500 0.014 0.000 2.590 189 R HA 0.157 4.497 4.340 -0.000 0.000 0.274 189 R C -0.037 176.324 176.300 0.102 0.000 1.061 189 R CA 0.003 56.165 56.100 0.103 0.000 1.081 189 R CB 0.781 31.146 30.300 0.108 0.000 0.984 189 R HN -0.205 nan 8.270 nan 0.000 0.448 190 Q N 1.916 121.800 119.800 0.140 0.000 2.297 190 Q HA 0.432 4.772 4.340 -0.000 0.000 0.269 190 Q C -2.337 173.733 176.000 0.117 0.000 1.051 190 Q CA -2.433 53.434 55.803 0.107 0.000 0.869 190 Q CB 1.384 30.181 28.738 0.098 0.000 1.346 190 Q HN 0.555 nan 8.270 nan 0.000 0.457 191 P HA 0.050 nan 4.420 nan 0.000 0.265 191 P C 0.423 177.778 177.300 0.091 0.000 1.187 191 P CA 1.009 64.160 63.100 0.084 0.000 0.766 191 P CB 0.259 31.994 31.700 0.059 0.000 0.820 192 G N 0.807 109.667 108.800 0.099 0.000 2.136 192 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.242 192 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.242 192 G C -0.039 174.931 174.900 0.117 0.000 0.989 192 G CA -0.250 44.905 45.100 0.092 0.000 0.682 192 G HN 0.557 nan 8.290 nan 0.000 0.522 193 E N -1.721 118.579 120.200 0.167 0.000 2.250 193 E HA 0.647 4.997 4.350 -0.000 0.000 0.265 193 E C -0.660 176.089 176.600 0.249 0.000 1.033 193 E CA -0.931 55.575 56.400 0.176 0.000 0.888 193 E CB 1.305 31.144 29.700 0.231 0.000 1.151 193 E HN 0.284 nan 8.360 nan 0.000 0.412 194 W N 1.872 123.095 121.300 -0.128 0.000 3.097 194 W HA 0.396 5.056 4.660 -0.000 0.000 0.335 194 W C -1.995 174.376 176.519 -0.246 0.000 1.114 194 W CA -0.415 56.893 57.345 -0.062 0.000 1.231 194 W CB 0.996 30.426 29.460 -0.049 0.000 1.388 194 W HN 0.412 nan 8.180 nan 0.000 0.485 195 Y N 5.998 125.962 120.300 -0.559 0.000 2.425 195 Y HA 0.655 5.205 4.550 -0.000 0.000 0.344 195 Y C -0.888 174.498 175.900 -0.857 0.000 0.969 195 Y CA -1.184 56.614 58.100 -0.504 0.000 1.052 195 Y CB 2.031 40.350 38.460 -0.235 0.000 1.215 195 Y HN 0.262 nan 8.280 nan 0.000 0.451 196 L N 3.051 123.982 121.223 -0.487 0.000 2.372 196 L HA 0.834 5.174 4.340 -0.000 0.000 0.274 196 L C -0.713 176.068 176.870 -0.150 0.000 0.988 196 L CA -0.733 53.857 54.840 -0.417 0.000 0.833 196 L CB 1.313 43.123 42.059 -0.416 0.000 1.236 196 L HN 0.709 nan 8.230 nan 0.000 0.410 197 A N 3.342 126.094 122.820 -0.113 0.000 2.343 197 A HA 0.438 4.758 4.320 -0.000 0.000 0.305 197 A C -0.570 176.988 177.584 -0.044 0.000 1.308 197 A CA -0.385 51.617 52.037 -0.059 0.000 0.949 197 A CB -0.206 18.762 19.000 -0.053 0.000 1.148 197 A HN 0.656 nan 8.150 nan 0.000 0.545 198 D N 3.030 123.412 120.400 -0.030 0.000 2.373 198 D HA 0.503 5.143 4.640 -0.000 0.000 0.227 198 D C 0.761 177.050 176.300 -0.018 0.000 1.091 198 D CA 0.237 54.225 54.000 -0.019 0.000 0.840 198 D CB 1.504 42.295 40.800 -0.015 0.000 1.060 198 D HN 0.407 nan 8.370 nan 0.000 0.502 199 A N 3.785 126.592 122.820 -0.021 0.000 2.275 199 A HA 0.080 4.400 4.320 -0.000 0.000 0.212 199 A C 0.835 178.408 177.584 -0.019 0.000 1.201 199 A CA -0.118 51.900 52.037 -0.032 0.000 0.843 199 A CB -0.630 18.337 19.000 -0.056 0.000 0.873 199 A HN 0.800 nan 8.150 nan 0.000 0.492 200 N N 0.610 119.315 118.700 0.007 0.000 2.714 200 N HA -0.228 4.512 4.740 -0.000 0.000 0.252 200 N C 0.005 175.530 175.510 0.024 0.000 1.014 200 N CA 0.853 53.929 53.050 0.043 0.000 0.735 200 N CB -1.748 36.777 38.487 0.063 0.000 0.924 200 N HN 0.704 nan 8.380 nan 0.000 0.540 201 N N -2.975 115.723 118.700 -0.004 0.000 2.741 201 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 201 N C 0.777 176.271 175.510 -0.027 0.000 1.115 201 N CA 0.598 53.637 53.050 -0.019 0.000 0.724 201 N CB -0.907 37.567 38.487 -0.020 0.000 1.090 201 N HN 0.660 nan 8.380 nan 0.000 0.558 202 G N -0.486 108.287 108.800 -0.045 0.000 3.192 202 G HA2 0.345 4.305 3.960 -0.000 0.000 0.239 202 G HA3 0.345 4.305 3.960 -0.000 0.000 0.239 202 G C 0.344 175.170 174.900 -0.124 0.000 1.084 202 G CA -0.157 44.906 45.100 -0.062 0.000 0.784 202 G HN 0.138 nan 8.290 nan 0.000 0.540 203 L N 2.151 123.284 121.223 -0.150 0.000 2.325 203 L HA 0.426 4.766 4.340 -0.000 0.000 0.279 203 L C 0.897 177.708 176.870 -0.099 0.000 1.054 203 L CA -0.935 53.767 54.840 -0.230 0.000 0.804 203 L CB 1.465 43.373 42.059 -0.252 0.000 1.200 203 L HN 0.064 nan 8.230 nan 0.000 0.436 204 T N -1.311 113.211 114.554 -0.054 0.000 2.860 204 T HA 0.155 4.505 4.350 -0.000 0.000 0.299 204 T C 1.311 176.030 174.700 0.032 0.000 1.045 204 T CA -0.833 61.273 62.100 0.011 0.000 1.071 204 T CB 1.405 70.299 68.868 0.044 0.000 0.985 204 T HN 0.281 nan 8.240 nan 0.000 0.537 205 V N 1.167 121.096 119.914 0.024 0.000 2.343 205 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 205 V C 2.910 179.029 176.094 0.043 0.000 1.051 205 V CA 2.145 64.459 62.300 0.024 0.000 1.036 205 V CB -1.005 30.825 31.823 0.011 0.000 0.654 205 V HN 1.045 nan 8.190 nan 0.000 0.451 206 E N 0.135 120.363 120.200 0.047 0.000 2.070 206 E HA -0.326 4.024 4.350 -0.000 0.000 0.197 206 E C 2.173 178.817 176.600 0.073 0.000 1.004 206 E CA 2.308 58.736 56.400 0.046 0.000 0.805 206 E CB -0.251 29.471 29.700 0.037 0.000 0.744 206 E HN 0.850 nan 8.360 nan 0.000 0.451 207 H N -0.473 118.592 119.070 -0.008 0.000 2.321 207 H HA -0.056 4.499 4.556 -0.000 0.000 0.300 207 H C 1.983 177.303 175.328 -0.013 0.000 1.087 207 H CA 1.965 58.008 56.048 -0.009 0.000 1.319 207 H CB -0.043 29.715 29.762 -0.007 0.000 1.379 207 H HN 0.235 nan 8.280 nan 0.000 0.501 208 A N 0.882 123.837 122.820 0.225 0.000 1.902 208 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 208 A C 2.491 180.113 177.584 0.063 0.000 1.181 208 A CA 1.487 53.606 52.037 0.136 0.000 0.623 208 A CB -0.838 18.195 19.000 0.055 0.000 0.818 208 A HN 0.485 nan 8.150 nan 0.000 0.443 209 L N -1.213 120.032 121.223 0.038 0.000 2.046 209 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 209 L C 2.882 179.749 176.870 -0.006 0.000 1.077 209 L CA 1.625 56.471 54.840 0.011 0.000 0.747 209 L CB -0.491 41.572 42.059 0.006 0.000 0.896 209 L HN 0.355 nan 8.230 nan 0.000 0.432 210 R N -0.585 119.903 120.500 -0.019 0.000 2.081 210 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 210 R C 2.310 178.574 176.300 -0.060 0.000 1.131 210 R CA 1.477 57.545 56.100 -0.052 0.000 0.960 210 R CB -0.317 29.928 30.300 -0.091 0.000 0.856 210 R HN 0.334 nan 8.270 nan 0.000 0.436 211 M N 0.370 119.938 119.600 -0.052 0.000 2.117 211 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 211 M C 1.464 177.752 176.300 -0.020 0.000 1.065 211 M CA 1.562 56.842 55.300 -0.034 0.000 1.114 211 M CB 0.054 32.676 32.600 0.037 0.000 1.361 211 M HN 0.098 nan 8.290 nan 0.000 0.408 212 L N -0.110 121.108 121.223 -0.009 0.000 2.083 212 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 212 L C 2.737 179.595 176.870 -0.020 0.000 1.083 212 L CA 1.917 56.749 54.840 -0.013 0.000 0.752 212 L CB -1.465 40.590 42.059 -0.008 0.000 0.899 212 L HN 0.386 nan 8.230 nan 0.000 0.433 213 S N -1.191 114.495 115.700 -0.022 0.000 2.402 213 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 213 S C 1.975 176.558 174.600 -0.029 0.000 1.021 213 S CA 0.786 58.972 58.200 -0.024 0.000 0.974 213 S CB -0.091 63.094 63.200 -0.025 0.000 0.800 213 S HN 0.386 nan 8.310 nan 0.000 0.484 214 L N 1.016 122.218 121.223 -0.035 0.000 2.313 214 L HA 0.224 4.564 4.340 -0.000 0.000 0.214 214 L C 0.418 177.266 176.870 -0.037 0.000 1.119 214 L CA 0.097 54.914 54.840 -0.039 0.000 0.809 214 L CB -0.237 41.793 42.059 -0.049 0.000 0.933 214 L HN 0.245 nan 8.230 nan 0.000 0.449 215 L N 1.794 122.995 121.223 -0.036 0.000 2.453 215 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 215 L C -1.673 175.175 176.870 -0.037 0.000 1.182 215 L CA -1.637 53.179 54.840 -0.039 0.000 0.858 215 L CB -0.110 41.926 42.059 -0.039 0.000 1.120 215 L HN -0.077 nan 8.230 nan 0.000 0.474 216 P HA 0.173 nan 4.420 nan 0.000 0.272 216 P C -2.532 174.748 177.300 -0.034 0.000 1.223 216 P CA -1.129 61.949 63.100 -0.036 0.000 0.784 216 P CB -0.246 31.430 31.700 -0.041 0.000 0.923 217 P HA 0.128 nan 4.420 nan 0.000 0.274 217 P C 0.658 177.943 177.300 -0.024 0.000 1.246 217 P CA 0.325 63.412 63.100 -0.023 0.000 0.795 217 P CB 0.173 31.863 31.700 -0.017 0.000 1.006 218 G N -0.057 108.731 108.800 -0.020 0.000 2.132 218 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.234 218 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.234 218 G C -0.145 174.741 174.900 -0.024 0.000 0.989 218 G CA -0.244 44.846 45.100 -0.017 0.000 0.676 218 G HN 0.453 nan 8.290 nan 0.000 0.522 219 L N 0.732 121.935 121.223 -0.034 0.000 2.350 219 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 219 L C 0.032 176.882 176.870 -0.034 0.000 1.099 219 L CA -0.692 54.117 54.840 -0.051 0.000 0.808 219 L CB 1.221 43.236 42.059 -0.073 0.000 1.149 219 L HN 0.153 nan 8.230 nan 0.000 0.442 220 D N 4.138 124.520 120.400 -0.030 0.000 2.467 220 D HA 0.429 5.069 4.640 -0.000 0.000 0.220 220 D C -1.121 175.164 176.300 -0.025 0.000 1.103 220 D CA -0.183 53.820 54.000 0.005 0.000 0.886 220 D CB 0.716 41.550 40.800 0.057 0.000 1.025 220 D HN 0.241 nan 8.370 nan 0.000 0.514 221 I N 3.459 123.998 120.570 -0.051 0.000 2.692 221 I HA 0.377 4.547 4.170 -0.000 0.000 0.293 221 I C -1.644 174.408 176.117 -0.108 0.000 1.200 221 I CA -0.757 60.480 61.300 -0.106 0.000 1.036 221 I CB 2.213 40.152 38.000 -0.102 0.000 1.258 221 I HN 0.074 nan 8.210 nan 0.000 0.421 222 V N 7.120 126.918 119.914 -0.193 0.000 2.483 222 V HA 0.495 4.615 4.120 -0.000 0.000 0.295 222 V C -0.536 175.493 176.094 -0.107 0.000 1.035 222 V CA -0.755 61.474 62.300 -0.118 0.000 0.896 222 V CB 1.523 33.288 31.823 -0.096 0.000 0.986 222 V HN 0.625 nan 8.190 nan 0.000 0.447 223 L N 4.451 125.643 121.223 -0.051 0.000 2.275 223 L HA 0.565 4.905 4.340 -0.000 0.000 0.288 223 L C -0.122 176.732 176.870 -0.027 0.000 1.046 223 L CA 0.300 55.114 54.840 -0.043 0.000 0.805 223 L CB 1.177 43.216 42.059 -0.033 0.000 1.193 223 L HN 0.837 nan 8.230 nan 0.000 0.426 224 E N 4.994 125.179 120.200 -0.026 0.000 2.183 224 E HA 0.587 4.937 4.350 -0.000 0.000 0.271 224 E C -0.050 176.542 176.600 -0.013 0.000 0.919 224 E CA -0.317 56.079 56.400 -0.007 0.000 0.781 224 E CB 1.445 31.151 29.700 0.011 0.000 1.140 224 E HN 1.028 nan 8.360 nan 0.000 0.402 225 A N 5.094 127.905 122.820 -0.016 0.000 2.466 225 A HA -0.121 4.199 4.320 -0.000 0.000 0.295 225 A C -1.758 175.806 177.584 -0.034 0.000 1.465 225 A CA 0.550 52.574 52.037 -0.022 0.000 0.744 225 A CB -1.306 17.698 19.000 0.006 0.000 1.098 225 A HN 0.721 nan 8.150 nan 0.000 0.402 226 P HA -0.004 nan 4.420 nan 0.000 0.217 226 P C 0.610 177.877 177.300 -0.056 0.000 1.151 226 P CA 1.368 64.438 63.100 -0.050 0.000 0.828 226 P CB 0.007 31.678 31.700 -0.047 0.000 0.788 227 C N -1.473 117.795 119.300 -0.053 0.000 2.971 227 C HA 0.687 5.147 4.460 -0.000 0.000 0.310 227 C C 1.938 176.910 174.990 -0.030 0.000 1.285 227 C CA -0.088 58.904 59.018 -0.044 0.000 1.593 227 C CB 1.237 28.952 27.740 -0.042 0.000 2.076 227 C HN 0.152 nan 8.230 nan 0.000 0.472 228 A N 0.877 123.688 122.820 -0.015 0.000 2.067 228 A HA 0.241 4.561 4.320 -0.000 0.000 0.217 228 A C 0.951 178.549 177.584 0.023 0.000 1.156 228 A CA 1.384 53.421 52.037 -0.001 0.000 0.683 228 A CB -0.251 18.750 19.000 0.001 0.000 0.808 228 A HN 1.145 nan 8.150 nan 0.000 0.455 229 S N -3.764 111.957 115.700 0.035 0.000 2.632 229 S HA 0.386 4.856 4.470 -0.000 0.000 0.289 229 S C 0.462 175.136 174.600 0.123 0.000 1.115 229 S CA -0.538 57.717 58.200 0.091 0.000 0.889 229 S CB 0.494 63.745 63.200 0.085 0.000 1.116 229 S HN 0.369 nan 8.310 nan 0.000 0.486 230 W N 1.274 122.569 121.300 -0.009 0.000 2.335 230 W HA -0.148 4.512 4.660 -0.000 0.000 0.311 230 W C 2.240 178.758 176.519 -0.001 0.000 1.213 230 W CA 2.288 59.630 57.345 -0.004 0.000 1.274 230 W CB -0.785 28.673 29.460 -0.003 0.000 1.148 230 W HN 0.936 nan 8.180 nan 0.000 0.498 231 A N 0.317 123.282 122.820 0.241 0.000 1.933 231 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 231 A C 1.801 179.413 177.584 0.046 0.000 1.175 231 A CA 1.881 54.000 52.037 0.137 0.000 0.628 231 A CB -0.859 18.210 19.000 0.117 0.000 0.814 231 A HN 0.439 nan 8.150 nan 0.000 0.444 232 E N -0.865 119.353 120.200 0.030 0.000 2.072 232 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 232 E C 2.065 178.639 176.600 -0.043 0.000 0.985 232 E CA 1.577 57.976 56.400 -0.001 0.000 0.801 232 E CB -0.262 29.439 29.700 0.001 0.000 0.750 232 E HN 0.592 nan 8.360 nan 0.000 0.452 233 T N 1.114 115.614 114.554 -0.090 0.000 2.746 233 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 233 T C 1.776 176.373 174.700 -0.172 0.000 1.039 233 T CA 1.080 63.085 62.100 -0.159 0.000 1.142 233 T CB -0.086 68.624 68.868 -0.264 0.000 0.866 233 T HN 0.072 nan 8.240 nan 0.000 0.444 234 K N 0.864 121.156 120.400 -0.181 0.000 2.063 234 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 234 K C 2.530 179.099 176.600 -0.053 0.000 1.048 234 K CA 1.411 57.628 56.287 -0.117 0.000 0.928 234 K CB -0.108 32.361 32.500 -0.050 0.000 0.713 234 K HN 0.245 nan 8.250 nan 0.000 0.442 235 S N 1.381 117.062 115.700 -0.032 0.000 2.356 235 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 235 S C 1.761 176.348 174.600 -0.022 0.000 1.032 235 S CA 1.063 59.254 58.200 -0.015 0.000 1.005 235 S CB -0.318 62.880 63.200 -0.003 0.000 0.867 235 S HN 0.249 nan 8.310 nan 0.000 0.449 236 L N 2.383 123.586 121.223 -0.032 0.000 2.017 236 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 236 L C 2.323 179.171 176.870 -0.036 0.000 1.073 236 L CA 1.751 56.573 54.840 -0.030 0.000 0.745 236 L CB -0.736 41.301 42.059 -0.036 0.000 0.894 236 L HN 0.099 nan 8.230 nan 0.000 0.432 237 R N 0.447 120.915 120.500 -0.055 0.000 2.103 237 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 237 R C 2.080 178.361 176.300 -0.032 0.000 1.142 237 R CA 1.846 57.914 56.100 -0.053 0.000 0.960 237 R CB -1.088 29.165 30.300 -0.079 0.000 0.858 237 R HN 0.495 nan 8.270 nan 0.000 0.439 238 A N -0.317 122.489 122.820 -0.025 0.000 2.125 238 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 238 A C 1.509 179.088 177.584 -0.010 0.000 1.156 238 A CA 1.486 53.516 52.037 -0.013 0.000 0.671 238 A CB -0.172 18.824 19.000 -0.007 0.000 0.794 238 A HN 0.361 nan 8.150 nan 0.000 0.459 239 R N -2.172 118.321 120.500 -0.012 0.000 2.668 239 R HA 0.250 4.590 4.340 -0.000 0.000 0.435 239 R C -1.075 175.219 176.300 -0.010 0.000 1.059 239 R CA -0.104 55.991 56.100 -0.008 0.000 1.073 239 R CB 0.796 31.092 30.300 -0.006 0.000 1.401 239 R HN 0.349 nan 8.270 nan 0.000 0.590 240 C N -0.123 119.169 119.300 -0.013 0.000 2.397 240 C HA 0.648 5.108 4.460 -0.000 0.000 0.325 240 C C 1.208 176.192 174.990 -0.011 0.000 1.201 240 C CA -0.354 58.656 59.018 -0.013 0.000 1.377 240 C CB 1.006 28.735 27.740 -0.019 0.000 2.038 240 C HN 0.601 nan 8.230 nan 0.000 0.457 241 A N 4.774 127.589 122.820 -0.008 0.000 2.238 241 A HA 0.366 4.686 4.320 -0.000 0.000 0.210 241 A C 0.398 177.981 177.584 -0.001 0.000 1.179 241 A CA 0.308 52.343 52.037 -0.004 0.000 0.827 241 A CB -0.160 18.839 19.000 -0.003 0.000 0.856 241 A HN 0.704 nan 8.150 nan 0.000 0.488 242 L N 1.419 122.638 121.223 -0.006 0.000 2.417 242 L HA 0.320 4.660 4.340 -0.000 0.000 0.268 242 L C -1.985 174.886 176.870 0.002 0.000 1.158 242 L CA -1.882 52.956 54.840 -0.004 0.000 0.819 242 L CB 0.075 42.126 42.059 -0.014 0.000 1.112 242 L HN 0.081 nan 8.230 nan 0.000 0.458 243 P HA 0.107 nan 4.420 nan 0.000 0.268 243 P C -0.975 176.335 177.300 0.017 0.000 1.205 243 P CA -0.319 62.798 63.100 0.028 0.000 0.771 243 P CB 0.846 32.585 31.700 0.064 0.000 0.858 244 L N 3.787 125.017 121.223 0.010 0.000 2.356 244 L HA 0.519 4.858 4.340 -0.000 0.000 0.277 244 L C -0.916 175.957 176.870 0.004 0.000 0.996 244 L CA -0.755 54.080 54.840 -0.008 0.000 0.822 244 L CB 1.466 43.502 42.059 -0.037 0.000 1.256 244 L HN 0.277 nan 8.230 nan 0.000 0.413 245 L N 5.230 126.461 121.223 0.014 0.000 2.322 245 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 245 L C -1.296 175.576 176.870 0.002 0.000 1.014 245 L CA -0.409 54.449 54.840 0.030 0.000 0.815 245 L CB 1.308 43.417 42.059 0.084 0.000 1.247 245 L HN 0.560 nan 8.230 nan 0.000 0.421 246 L N 4.426 125.644 121.223 -0.008 0.000 2.322 246 L HA 0.443 4.783 4.340 -0.000 0.000 0.279 246 L C -0.364 176.517 176.870 0.019 0.000 1.036 246 L CA -0.343 54.484 54.840 -0.022 0.000 0.807 246 L CB 1.701 43.721 42.059 -0.066 0.000 1.226 246 L HN 0.684 nan 8.230 nan 0.000 0.433 247 D N 0.320 120.736 120.400 0.027 0.000 3.054 247 D HA -0.008 4.632 4.640 -0.000 0.000 0.209 247 D C 1.405 177.728 176.300 0.037 0.000 1.527 247 D CA 0.254 54.291 54.000 0.061 0.000 1.427 247 D CB 0.298 41.156 40.800 0.097 0.000 1.059 247 D HN 0.488 nan 8.370 nan 0.000 0.243 248 E N 0.435 120.622 120.200 -0.022 0.000 2.114 248 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 248 E C 2.073 178.648 176.600 -0.041 0.000 1.008 248 E CA 1.035 57.348 56.400 -0.144 0.000 0.810 248 E CB -0.226 29.351 29.700 -0.206 0.000 0.739 248 E HN 0.335 nan 8.360 nan 0.000 0.456 249 L N 0.374 121.615 121.223 0.030 0.000 2.465 249 L HA -0.019 4.321 4.340 -0.000 0.000 0.224 249 L C 0.290 177.292 176.870 0.220 0.000 1.145 249 L CA 0.077 55.007 54.840 0.149 0.000 0.834 249 L CB -0.037 42.122 42.059 0.167 0.000 0.944 249 L HN 0.104 nan 8.230 nan 0.000 0.451 250 I N 0.294 120.944 120.570 0.134 0.000 2.330 250 I HA 0.136 4.305 4.170 -0.000 0.000 0.286 250 I C 0.469 176.640 176.117 0.090 0.000 1.025 250 I CA 0.334 61.717 61.300 0.137 0.000 1.197 250 I CB 1.291 39.357 38.000 0.111 0.000 1.358 250 I HN 0.259 nan 8.210 nan 0.000 0.467 251 Q N 2.589 122.441 119.800 0.086 0.000 2.534 251 Q HA 0.087 4.427 4.340 -0.000 0.000 0.252 251 Q C 0.764 176.817 176.000 0.088 0.000 0.850 251 Q CA 0.301 56.149 55.803 0.075 0.000 0.974 251 Q CB 0.898 29.669 28.738 0.056 0.000 1.205 251 Q HN 0.772 nan 8.270 nan 0.000 0.593 252 T N -1.685 112.918 114.554 0.081 0.000 2.936 252 T HA 0.266 4.616 4.350 -0.000 0.000 0.282 252 T C 0.596 175.339 174.700 0.071 0.000 1.003 252 T CA -0.552 61.603 62.100 0.093 0.000 1.005 252 T CB 1.549 70.464 68.868 0.079 0.000 1.097 252 T HN -0.122 nan 8.240 nan 0.000 0.532 253 E N 0.424 120.666 120.200 0.069 0.000 2.106 253 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 253 E C 2.385 179.010 176.600 0.041 0.000 0.984 253 E CA 1.814 58.239 56.400 0.042 0.000 0.806 253 E CB -0.697 29.020 29.700 0.028 0.000 0.750 253 E HN 0.922 nan 8.360 nan 0.000 0.458 254 T N -0.755 113.821 114.554 0.037 0.000 2.833 254 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 254 T C 1.285 175.980 174.700 -0.009 0.000 1.054 254 T CA 1.262 63.367 62.100 0.009 0.000 1.135 254 T CB -0.246 68.616 68.868 -0.010 0.000 0.869 254 T HN -0.071 nan 8.240 nan 0.000 0.466 255 D N 1.211 121.615 120.400 0.006 0.000 2.123 255 D HA -0.037 4.603 4.640 -0.000 0.000 0.196 255 D C 1.969 178.370 176.300 0.168 0.000 0.992 255 D CA 0.676 54.697 54.000 0.035 0.000 0.833 255 D CB -0.418 40.443 40.800 0.102 0.000 0.954 255 D HN 0.241 nan 8.370 nan 0.000 0.455 256 L N 0.826 122.126 121.223 0.127 0.000 2.093 256 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 256 L C 2.113 179.054 176.870 0.119 0.000 1.085 256 L CA 0.913 55.830 54.840 0.128 0.000 0.755 256 L CB -0.530 41.572 42.059 0.073 0.000 0.904 256 L HN 0.012 nan 8.230 nan 0.000 0.435 257 I N -0.454 120.165 120.570 0.082 0.000 2.179 257 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 257 I C 2.655 178.828 176.117 0.094 0.000 1.088 257 I CA 1.439 62.778 61.300 0.066 0.000 1.357 257 I CB -1.818 36.203 38.000 0.035 0.000 1.051 257 I HN 0.217 nan 8.210 nan 0.000 0.409 258 A N 0.899 123.775 122.820 0.094 0.000 1.908 258 A HA -0.139 4.180 4.320 -0.000 0.000 0.218 258 A C 2.574 180.407 177.584 0.415 0.000 1.181 258 A CA 2.125 54.247 52.037 0.143 0.000 0.627 258 A CB -0.815 18.093 19.000 -0.154 0.000 0.818 258 A HN 0.421 nan 8.150 nan 0.000 0.445 259 A N -0.168 122.946 122.820 0.490 0.000 1.902 259 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 259 A C 2.118 179.801 177.584 0.165 0.000 1.181 259 A CA 1.515 53.756 52.037 0.340 0.000 0.623 259 A CB -0.590 18.535 19.000 0.209 0.000 0.818 259 A HN 0.500 nan 8.150 nan 0.000 0.443 260 I N -1.109 119.541 120.570 0.134 0.000 2.179 260 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 260 I C 2.655 178.822 176.117 0.084 0.000 1.088 260 I CA 1.725 63.075 61.300 0.084 0.000 1.357 260 I CB -0.236 37.803 38.000 0.065 0.000 1.051 260 I HN 0.282 nan 8.210 nan 0.000 0.409 261 R N 1.220 121.781 120.500 0.102 0.000 2.105 261 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 261 R C 1.411 177.770 176.300 0.099 0.000 1.135 261 R CA 1.784 57.938 56.100 0.090 0.000 0.967 261 R CB -0.370 29.983 30.300 0.087 0.000 0.861 261 R HN 0.266 nan 8.270 nan 0.000 0.442 262 D N 0.013 120.497 120.400 0.141 0.000 2.339 262 D HA -0.007 4.633 4.640 -0.000 0.000 0.217 262 D C -0.299 176.037 176.300 0.060 0.000 1.050 262 D CA 0.437 54.513 54.000 0.127 0.000 0.856 262 D CB -0.128 40.803 40.800 0.219 0.000 0.922 262 D HN 0.243 nan 8.370 nan 0.000 0.518 263 D N 0.325 120.755 120.400 0.051 0.000 2.704 263 D HA -0.217 4.423 4.640 -0.000 0.000 0.232 263 D C 0.821 177.114 176.300 -0.012 0.000 1.183 263 D CA 0.071 54.084 54.000 0.021 0.000 0.647 263 D CB -0.936 39.875 40.800 0.018 0.000 1.013 263 D HN 0.161 nan 8.370 nan 0.000 0.415 264 L N -0.137 121.064 121.223 -0.037 0.000 2.375 264 L HA 0.242 4.582 4.340 -0.000 0.000 0.215 264 L C 0.825 177.621 176.870 -0.124 0.000 1.108 264 L CA 1.371 56.135 54.840 -0.127 0.000 0.830 264 L CB 0.267 42.161 42.059 -0.275 0.000 0.959 264 L HN 0.671 nan 8.230 nan 0.000 0.457 265 C N -4.103 115.154 119.300 -0.071 0.000 3.311 265 C HA 0.502 4.962 4.460 -0.000 0.000 0.325 265 C C 0.148 175.130 174.990 -0.014 0.000 1.352 265 C CA -0.742 58.245 59.018 -0.052 0.000 1.308 265 C CB 0.950 28.648 27.740 -0.070 0.000 1.619 265 C HN 0.251 nan 8.230 nan 0.000 0.469 266 D N 0.277 120.678 120.400 0.002 0.000 2.433 266 D HA 0.393 5.033 4.640 -0.000 0.000 0.211 266 D C 0.627 176.945 176.300 0.030 0.000 1.114 266 D CA 0.769 54.781 54.000 0.020 0.000 0.837 266 D CB 1.408 42.227 40.800 0.032 0.000 0.984 266 D HN 1.111 nan 8.370 nan 0.000 0.505 267 G N 0.170 108.987 108.800 0.028 0.000 2.646 267 G HA2 0.457 4.417 3.960 -0.000 0.000 0.291 267 G HA3 0.457 4.417 3.960 -0.000 0.000 0.291 267 G C -2.001 172.917 174.900 0.029 0.000 1.445 267 G CA -0.502 44.619 45.100 0.035 0.000 0.814 267 G HN -0.004 nan 8.290 nan 0.000 0.495 268 V N -0.398 119.533 119.914 0.027 0.000 2.841 268 V HA 0.860 4.980 4.120 -0.000 0.000 0.310 268 V C 0.248 176.364 176.094 0.036 0.000 1.090 268 V CA 0.049 62.366 62.300 0.029 0.000 0.930 268 V CB 2.054 33.890 31.823 0.022 0.000 1.014 268 V HN 1.527 nan 8.190 nan 0.000 0.425 269 G N 6.356 115.186 108.800 0.049 0.000 2.457 269 G HA2 0.532 4.491 3.960 -0.000 0.000 0.316 269 G HA3 0.532 4.491 3.960 -0.000 0.000 0.316 269 G C -0.671 174.259 174.900 0.050 0.000 1.030 269 G CA -0.420 44.714 45.100 0.057 0.000 1.073 269 G HN 0.719 nan 8.290 nan 0.000 0.430 270 L N 2.611 123.849 121.223 0.026 0.000 2.260 270 L HA 0.400 4.740 4.340 -0.000 0.000 0.289 270 L C 0.294 177.177 176.870 0.021 0.000 1.057 270 L CA -0.351 54.499 54.840 0.017 0.000 0.811 270 L CB 1.229 43.279 42.059 -0.016 0.000 1.184 270 L HN 0.326 nan 8.230 nan 0.000 0.429 271 K N 2.392 122.819 120.400 0.046 0.000 2.358 271 K HA 0.275 4.595 4.320 -0.000 0.000 0.260 271 K C 0.780 177.410 176.600 0.050 0.000 0.956 271 K CA -0.621 55.697 56.287 0.052 0.000 0.834 271 K CB 2.577 35.133 32.500 0.094 0.000 1.102 271 K HN 0.280 nan 8.250 nan 0.000 0.431 272 V N 1.368 121.299 119.914 0.029 0.000 2.250 272 V HA -0.343 3.776 4.120 -0.000 0.000 0.250 272 V C 2.134 178.266 176.094 0.063 0.000 1.060 272 V CA 2.649 64.962 62.300 0.022 0.000 1.030 272 V CB -0.561 31.268 31.823 0.010 0.000 0.643 272 V HN 0.950 nan 8.190 nan 0.000 0.445 273 S N -0.467 115.284 115.700 0.086 0.000 2.489 273 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 273 S C 1.899 176.579 174.600 0.133 0.000 0.995 273 S CA 1.241 59.509 58.200 0.114 0.000 0.934 273 S CB -0.240 63.028 63.200 0.114 0.000 0.771 273 S HN 0.672 nan 8.310 nan 0.000 0.522 274 K N 0.856 121.338 120.400 0.137 0.000 2.031 274 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 274 K C 2.111 178.783 176.600 0.120 0.000 1.049 274 K CA 1.184 57.557 56.287 0.142 0.000 0.939 274 K CB -0.122 32.480 32.500 0.170 0.000 0.717 274 K HN 0.230 nan 8.250 nan 0.000 0.438 275 Q N -0.621 119.241 119.800 0.103 0.000 2.172 275 Q HA 0.066 4.406 4.340 -0.000 0.000 0.200 275 Q C 1.207 177.301 176.000 0.156 0.000 0.964 275 Q CA 1.400 57.260 55.803 0.095 0.000 0.855 275 Q CB 0.405 29.164 28.738 0.034 0.000 0.918 275 Q HN 0.622 nan 8.270 nan 0.000 0.444 276 G N -1.008 107.895 108.800 0.171 0.000 2.151 276 G HA2 0.172 4.132 3.960 -0.000 0.000 0.140 276 G HA3 0.172 4.132 3.960 -0.000 0.000 0.140 276 G C 0.385 175.455 174.900 0.283 0.000 1.020 276 G CA 0.016 45.291 45.100 0.291 0.000 0.688 276 G HN 0.778 nan 8.290 nan 0.000 0.500 277 G N -1.026 107.849 108.800 0.126 0.000 2.373 277 G HA2 0.232 4.192 3.960 -0.000 0.000 0.634 277 G HA3 0.232 4.192 3.960 -0.000 0.000 0.634 277 G C 0.587 175.437 174.900 -0.083 0.000 1.267 277 G CA -0.143 45.004 45.100 0.079 0.000 1.008 277 G HN 0.719 nan 8.290 nan 0.000 0.497 278 I N 0.907 121.364 120.570 -0.188 0.000 2.252 278 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 278 I C 3.038 178.817 176.117 -0.563 0.000 1.102 278 I CA 2.584 63.559 61.300 -0.541 0.000 1.385 278 I CB -2.040 35.277 38.000 -1.139 0.000 1.064 278 I HN 0.661 nan 8.210 nan 0.000 0.414 279 T N 2.776 117.144 114.554 -0.309 0.000 2.622 279 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 279 T C -0.321 174.121 174.700 -0.430 0.000 1.047 279 T CA 1.914 63.874 62.100 -0.233 0.000 1.159 279 T CB -1.392 67.444 68.868 -0.054 0.000 0.863 279 T HN 0.304 nan 8.240 nan 0.000 0.422 280 P HA 0.075 nan 4.420 nan 0.000 0.222 280 P C 1.573 178.728 177.300 -0.242 0.000 1.153 280 P CA 0.762 63.601 63.100 -0.435 0.000 0.798 280 P CB -0.162 31.302 31.700 -0.392 0.000 0.796 281 M N -0.578 118.888 119.600 -0.223 0.000 2.149 281 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 281 M C 2.264 178.443 176.300 -0.202 0.000 1.064 281 M CA 1.473 56.663 55.300 -0.183 0.000 1.102 281 M CB -1.424 31.060 32.600 -0.194 0.000 1.369 281 M HN -0.001 nan 8.290 nan 0.000 0.408 282 L N -1.089 119.975 121.223 -0.266 0.000 2.072 282 L HA -0.184 4.156 4.340 -0.000 0.000 0.205 282 L C 2.619 179.393 176.870 -0.161 0.000 1.079 282 L CA 0.989 55.688 54.840 -0.234 0.000 0.752 282 L CB -0.526 41.353 42.059 -0.301 0.000 0.906 282 L HN 0.272 nan 8.230 nan 0.000 0.436 283 R N -0.149 120.250 120.500 -0.168 0.000 2.081 283 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 283 R C 2.289 178.537 176.300 -0.088 0.000 1.131 283 R CA 1.481 57.508 56.100 -0.121 0.000 0.960 283 R CB -0.314 29.895 30.300 -0.152 0.000 0.856 283 R HN 0.474 nan 8.270 nan 0.000 0.436 284 Q N -0.164 119.580 119.800 -0.094 0.000 2.172 284 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 284 Q C 2.155 178.121 176.000 -0.056 0.000 0.964 284 Q CA 0.865 56.634 55.803 -0.057 0.000 0.855 284 Q CB -0.041 28.670 28.738 -0.045 0.000 0.918 284 Q HN 0.248 nan 8.270 nan 0.000 0.444 285 R N 0.650 121.101 120.500 -0.080 0.000 2.081 285 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 285 R C 2.125 178.386 176.300 -0.064 0.000 1.131 285 R CA 1.285 57.337 56.100 -0.080 0.000 0.960 285 R CB -0.207 30.030 30.300 -0.103 0.000 0.856 285 R HN 0.230 nan 8.270 nan 0.000 0.436 286 A N 0.854 123.637 122.820 -0.061 0.000 1.902 286 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 286 A C 2.114 179.682 177.584 -0.026 0.000 1.181 286 A CA 1.372 53.384 52.037 -0.041 0.000 0.623 286 A CB -0.429 18.549 19.000 -0.037 0.000 0.818 286 A HN 0.356 nan 8.150 nan 0.000 0.443 287 I N -0.364 120.192 120.570 -0.024 0.000 2.163 287 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 287 I C 3.008 179.121 176.117 -0.007 0.000 1.081 287 I CA 1.029 62.324 61.300 -0.008 0.000 1.353 287 I CB -0.429 37.570 38.000 -0.001 0.000 1.054 287 I HN 0.337 nan 8.210 nan 0.000 0.407 288 A N 0.897 123.708 122.820 -0.015 0.000 1.883 288 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 288 A C 2.554 180.122 177.584 -0.026 0.000 1.186 288 A CA 2.116 54.142 52.037 -0.017 0.000 0.624 288 A CB -1.019 17.963 19.000 -0.029 0.000 0.822 288 A HN 0.442 nan 8.150 nan 0.000 0.444 289 A N -0.193 122.604 122.820 -0.039 0.000 1.908 289 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 289 A C 2.523 180.101 177.584 -0.009 0.000 1.181 289 A CA 2.372 54.385 52.037 -0.040 0.000 0.627 289 A CB -1.089 17.884 19.000 -0.045 0.000 0.818 289 A HN 1.161 nan 8.150 nan 0.000 0.445 290 A N -0.396 122.422 122.820 -0.003 0.000 1.933 290 A HA 0.189 4.509 4.320 -0.000 0.000 0.218 290 A C 2.350 179.942 177.584 0.013 0.000 1.175 290 A CA 1.936 53.977 52.037 0.008 0.000 0.628 290 A CB -0.812 18.192 19.000 0.007 0.000 0.814 290 A HN 1.136 nan 8.150 nan 0.000 0.444 291 A N -1.846 120.980 122.820 0.010 0.000 2.206 291 A HA 0.394 4.714 4.320 -0.000 0.000 0.211 291 A C 1.829 179.421 177.584 0.014 0.000 1.158 291 A CA 1.240 53.285 52.037 0.015 0.000 0.761 291 A CB -0.950 18.061 19.000 0.017 0.000 0.801 291 A HN 1.911 nan 8.150 nan 0.000 0.473 292 G N -1.302 107.504 108.800 0.010 0.000 2.143 292 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 292 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 292 G C 0.122 175.021 174.900 -0.003 0.000 0.991 292 G CA 0.442 45.550 45.100 0.014 0.000 0.689 292 G HN 0.433 nan 8.290 nan 0.000 0.522 293 M N 0.925 120.517 119.600 -0.013 0.000 2.185 293 M HA 0.449 4.929 4.480 -0.000 0.000 0.357 293 M C 1.224 177.496 176.300 -0.047 0.000 1.260 293 M CA -0.533 54.758 55.300 -0.015 0.000 1.124 293 M CB 1.364 33.961 32.600 -0.006 0.000 1.600 293 M HN 0.378 nan 8.290 nan 0.000 0.467 294 V N 2.071 121.962 119.914 -0.039 0.000 3.051 294 V HA 0.453 4.573 4.120 -0.000 0.000 0.306 294 V C -0.254 175.801 176.094 -0.065 0.000 1.083 294 V CA -0.472 61.779 62.300 -0.081 0.000 1.104 294 V CB 0.858 32.639 31.823 -0.070 0.000 1.027 294 V HN 0.922 nan 8.190 nan 0.000 0.483 295 M N 3.380 122.916 119.600 -0.107 0.000 2.213 295 M HA 0.374 4.854 4.480 -0.000 0.000 0.286 295 M C -0.419 175.823 176.300 -0.097 0.000 1.008 295 M CA -0.091 55.161 55.300 -0.080 0.000 0.937 295 M CB 2.165 34.709 32.600 -0.093 0.000 1.600 295 M HN 0.838 nan 8.290 nan 0.000 0.450 296 S N 2.432 118.108 115.700 -0.039 0.000 2.475 296 S HA 0.566 5.036 4.470 -0.000 0.000 0.281 296 S C -0.662 173.922 174.600 -0.026 0.000 1.198 296 S CA -0.584 57.597 58.200 -0.032 0.000 1.063 296 S CB 0.572 63.805 63.200 0.054 0.000 0.972 296 S HN 0.495 nan 8.310 nan 0.000 0.486 297 V N 6.908 126.796 119.914 -0.043 0.000 2.318 297 V HA 0.437 4.557 4.120 -0.000 0.000 0.271 297 V C 0.175 176.258 176.094 -0.018 0.000 1.030 297 V CA -0.254 62.021 62.300 -0.041 0.000 0.844 297 V CB 0.713 32.494 31.823 -0.070 0.000 1.015 297 V HN 0.914 nan 8.190 nan 0.000 0.460 298 Q N 2.566 122.363 119.800 -0.005 0.000 3.019 298 Q HA 0.630 4.970 4.340 -0.000 0.000 0.337 298 Q C -1.412 174.594 176.000 0.010 0.000 0.900 298 Q CA -0.943 54.864 55.803 0.008 0.000 0.800 298 Q CB 2.160 30.898 28.738 -0.001 0.000 1.437 298 Q HN 0.628 nan 8.270 nan 0.000 0.505 299 D N -1.163 119.240 120.400 0.006 0.000 2.626 299 D HA 0.200 4.840 4.640 -0.000 0.000 0.278 299 D C 0.330 176.609 176.300 -0.036 0.000 1.211 299 D CA 0.065 54.072 54.000 0.012 0.000 0.903 299 D CB 1.797 42.616 40.800 0.031 0.000 1.408 299 D HN 0.574 nan 8.370 nan 0.000 0.454 300 T N -1.272 113.270 114.554 -0.019 0.000 2.652 300 T HA 0.069 4.419 4.350 -0.000 0.000 0.267 300 T C 1.084 175.724 174.700 -0.102 0.000 1.039 300 T CA 1.385 63.429 62.100 -0.093 0.000 1.153 300 T CB -0.135 68.765 68.868 0.054 0.000 0.863 300 T HN 0.435 nan 8.240 nan 0.000 0.428 301 V N -1.357 118.517 119.914 -0.066 0.000 3.121 301 V HA 0.574 4.694 4.120 -0.000 0.000 0.263 301 V C -0.789 175.253 176.094 -0.087 0.000 1.795 301 V CA 0.004 62.215 62.300 -0.149 0.000 0.979 301 V CB 1.362 32.934 31.823 -0.419 0.000 1.335 301 V HN 1.150 nan 8.190 nan 0.000 0.462 302 G N 1.973 110.728 108.800 -0.074 0.000 2.317 302 G HA2 0.634 4.594 3.960 -0.000 0.000 0.293 302 G HA3 0.634 4.594 3.960 -0.000 0.000 0.293 302 G C -0.475 174.439 174.900 0.023 0.000 1.287 302 G CA 0.451 45.552 45.100 0.001 0.000 0.850 302 G HN 2.004 nan 8.290 nan 0.000 0.515 303 S N -1.027 114.700 115.700 0.045 0.000 2.552 303 S HA 0.362 4.832 4.470 -0.000 0.000 0.271 303 S C 1.419 176.061 174.600 0.070 0.000 1.168 303 S CA 0.542 58.765 58.200 0.039 0.000 1.026 303 S CB 0.735 63.948 63.200 0.022 0.000 1.120 303 S HN 0.580 nan 8.310 nan 0.000 0.514 304 Q N 0.150 119.984 119.800 0.057 0.000 2.181 304 Q HA 0.078 4.418 4.340 -0.000 0.000 0.205 304 Q C 1.906 177.984 176.000 0.130 0.000 0.980 304 Q CA 1.650 57.524 55.803 0.118 0.000 0.862 304 Q CB -0.828 27.946 28.738 0.059 0.000 0.905 304 Q HN 0.688 nan 8.270 nan 0.000 0.429 305 I N -0.534 120.074 120.570 0.065 0.000 2.202 305 I HA -0.287 3.882 4.170 -0.000 0.000 0.242 305 I C 2.387 178.562 176.117 0.096 0.000 1.091 305 I CA 1.296 62.635 61.300 0.065 0.000 1.368 305 I CB -0.478 37.550 38.000 0.046 0.000 1.058 305 I HN 0.194 nan 8.210 nan 0.000 0.410 306 S N 0.825 116.588 115.700 0.104 0.000 2.370 306 S HA -0.247 4.223 4.470 -0.000 0.000 0.226 306 S C 2.123 176.796 174.600 0.121 0.000 1.033 306 S CA 1.398 59.659 58.200 0.102 0.000 1.011 306 S CB -0.507 62.748 63.200 0.092 0.000 0.852 306 S HN 0.429 nan 8.310 nan 0.000 0.457 307 F N 2.578 122.529 119.950 0.002 0.000 2.171 307 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 307 F C 2.308 178.106 175.800 -0.003 0.000 1.090 307 F CA 0.978 58.972 58.000 -0.010 0.000 1.293 307 F CB -1.099 37.889 39.000 -0.020 0.000 1.013 307 F HN 0.278 nan 8.300 nan 0.000 0.486 308 A N 0.430 123.180 122.820 -0.117 0.000 1.908 308 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 308 A C 2.471 180.013 177.584 -0.069 0.000 1.181 308 A CA 2.069 54.023 52.037 -0.138 0.000 0.627 308 A CB -1.576 17.453 19.000 0.048 0.000 0.818 308 A HN 0.499 nan 8.150 nan 0.000 0.445 309 A N -0.177 122.625 122.820 -0.028 0.000 1.898 309 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 309 A C 2.123 179.653 177.584 -0.090 0.000 1.181 309 A CA 1.438 53.459 52.037 -0.026 0.000 0.620 309 A CB -0.599 18.397 19.000 -0.006 0.000 0.819 309 A HN 0.496 nan 8.150 nan 0.000 0.442 310 I N -0.864 119.632 120.570 -0.124 0.000 2.127 310 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 310 I C 2.450 178.432 176.117 -0.224 0.000 1.075 310 I CA 1.363 62.583 61.300 -0.134 0.000 1.334 310 I CB -0.323 37.643 38.000 -0.057 0.000 1.040 310 I HN 0.378 nan 8.210 nan 0.000 0.405 311 L N 0.196 121.151 121.223 -0.448 0.000 2.027 311 L HA -0.228 4.111 4.340 -0.000 0.000 0.206 311 L C 2.646 179.305 176.870 -0.352 0.000 1.074 311 L CA 2.011 56.540 54.840 -0.518 0.000 0.745 311 L CB -1.017 40.478 42.059 -0.941 0.000 0.898 311 L HN 0.248 nan 8.230 nan 0.000 0.433 312 H N -0.576 118.348 119.070 -0.243 0.000 2.353 312 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 312 H C 2.347 177.577 175.328 -0.163 0.000 1.090 312 H CA 2.104 58.049 56.048 -0.171 0.000 1.327 312 H CB -0.156 29.520 29.762 -0.143 0.000 1.383 312 H HN 0.342 nan 8.280 nan 0.000 0.508 313 L N 0.027 121.214 121.223 -0.061 0.000 2.017 313 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 313 L C 2.947 179.750 176.870 -0.113 0.000 1.073 313 L CA 0.958 55.728 54.840 -0.116 0.000 0.745 313 L CB -0.497 41.475 42.059 -0.145 0.000 0.894 313 L HN 0.198 nan 8.230 nan 0.000 0.432 314 A N -0.492 122.256 122.820 -0.120 0.000 1.908 314 A HA -0.302 4.017 4.320 -0.000 0.000 0.218 314 A C 2.199 179.719 177.584 -0.107 0.000 1.181 314 A CA 1.935 53.903 52.037 -0.114 0.000 0.627 314 A CB -0.565 18.367 19.000 -0.113 0.000 0.818 314 A HN 0.400 nan 8.150 nan 0.000 0.445 315 Q N 0.572 120.305 119.800 -0.112 0.000 2.226 315 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 315 Q C 1.867 177.829 176.000 -0.064 0.000 0.975 315 Q CA 1.921 57.669 55.803 -0.092 0.000 0.866 315 Q CB -0.306 28.367 28.738 -0.108 0.000 0.915 315 Q HN 0.744 nan 8.270 nan 0.000 0.440 316 S N -2.397 113.265 115.700 -0.063 0.000 2.557 316 S HA 0.198 4.668 4.470 -0.000 0.000 0.223 316 S C 0.264 174.824 174.600 -0.067 0.000 0.969 316 S CA -0.404 57.763 58.200 -0.055 0.000 0.927 316 S CB 0.311 63.479 63.200 -0.053 0.000 0.806 316 S HN 0.070 nan 8.310 nan 0.000 0.489 317 T N 5.233 119.738 114.554 -0.082 0.000 2.832 317 T HA 0.392 4.742 4.350 -0.000 0.000 0.296 317 T C -2.764 171.885 174.700 -0.085 0.000 0.968 317 T CA -1.136 60.908 62.100 -0.094 0.000 1.107 317 T CB 0.820 69.620 68.868 -0.114 0.000 0.916 317 T HN 0.126 nan 8.240 nan 0.000 0.517 318 P HA 0.112 nan 4.420 nan 0.000 0.262 318 P C 0.615 177.856 177.300 -0.098 0.000 1.182 318 P CA -0.186 62.886 63.100 -0.047 0.000 0.761 318 P CB 0.550 32.215 31.700 -0.058 0.000 0.795 319 R N 3.370 123.862 120.500 -0.014 0.000 2.115 319 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 319 R C 1.945 178.212 176.300 -0.056 0.000 1.111 319 R CA 1.852 57.925 56.100 -0.045 0.000 0.976 319 R CB -1.305 28.985 30.300 -0.016 0.000 0.870 319 R HN 0.712 nan 8.270 nan 0.000 0.445 320 H N -2.142 116.880 119.070 -0.079 0.000 2.524 320 H HA 0.092 4.648 4.556 -0.000 0.000 0.282 320 H C 1.396 176.668 175.328 -0.093 0.000 1.016 320 H CA 1.208 57.208 56.048 -0.079 0.000 1.270 320 H CB -0.053 29.678 29.762 -0.053 0.000 1.394 320 H HN 0.196 nan 8.280 nan 0.000 0.568 321 L N -0.120 120.756 121.223 -0.577 0.000 2.463 321 L HA 0.183 4.523 4.340 -0.000 0.000 0.219 321 L C 0.392 177.089 176.870 -0.288 0.000 1.088 321 L CA -0.437 54.149 54.840 -0.422 0.000 0.849 321 L CB 0.233 42.017 42.059 -0.457 0.000 1.012 321 L HN 0.207 nan 8.230 nan 0.000 0.468 322 L N 1.314 122.378 121.223 -0.265 0.000 2.453 322 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 322 L C 0.174 176.843 176.870 -0.336 0.000 1.182 322 L CA 0.615 55.310 54.840 -0.241 0.000 0.858 322 L CB 0.169 42.116 42.059 -0.188 0.000 1.120 322 L HN 0.045 nan 8.230 nan 0.000 0.474 323 R N 4.287 124.561 120.500 -0.378 0.000 2.748 323 R HA 0.368 4.708 4.340 -0.000 0.000 0.283 323 R C -0.923 175.139 176.300 -0.397 0.000 1.507 323 R CA -0.309 55.396 56.100 -0.659 0.000 1.666 323 R CB -0.337 29.377 30.300 -0.977 0.000 1.237 323 R HN 0.898 nan 8.270 nan 0.000 0.633 324 C N -0.644 118.498 119.300 -0.263 0.000 0.168 324 C HA -0.095 4.365 4.460 -0.000 0.000 0.017 324 C C 0.660 175.612 174.990 -0.064 0.000 0.171 324 C CA -0.534 58.414 59.018 -0.117 0.000 0.499 324 C CB -0.841 26.875 27.740 -0.040 0.000 3.212 324 C HN 0.793 nan 8.230 nan 0.000 1.118 325 A N 0.954 123.764 122.820 -0.016 0.000 2.356 325 A HA 0.854 5.174 4.320 -0.000 0.000 0.323 325 A C -0.803 176.824 177.584 0.071 0.000 1.119 325 A CA -0.476 51.572 52.037 0.019 0.000 0.790 325 A CB 0.977 19.989 19.000 0.020 0.000 1.273 325 A HN 1.840 nan 8.150 nan 0.000 0.452 326 L N 1.068 122.340 121.223 0.082 0.000 2.290 326 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 326 L C -0.491 176.481 176.870 0.170 0.000 1.078 326 L CA -0.065 54.824 54.840 0.082 0.000 0.815 326 L CB 0.995 43.074 42.059 0.034 0.000 1.162 326 L HN 0.630 nan 8.230 nan 0.000 0.435 327 D N 2.627 123.062 120.400 0.057 0.000 2.441 327 D HA 0.096 4.736 4.640 -0.000 0.000 0.221 327 D C 1.183 177.363 176.300 -0.201 0.000 1.156 327 D CA 0.282 54.164 54.000 -0.196 0.000 0.896 327 D CB 1.030 41.635 40.800 -0.327 0.000 1.028 327 D HN 0.765 nan 8.370 nan 0.000 0.509 328 T N 1.341 115.834 114.554 -0.103 0.000 2.929 328 T HA -0.162 4.187 4.350 -0.000 0.000 0.271 328 T C 1.734 176.362 174.700 -0.120 0.000 1.085 328 T CA 0.666 62.725 62.100 -0.069 0.000 1.125 328 T CB -0.077 68.804 68.868 0.021 0.000 0.874 328 T HN 0.346 nan 8.240 nan 0.000 0.494 329 R N 1.501 121.857 120.500 -0.240 0.000 2.159 329 R HA 0.090 4.430 4.340 -0.000 0.000 0.237 329 R C 2.738 178.960 176.300 -0.129 0.000 1.131 329 R CA 1.199 57.185 56.100 -0.190 0.000 0.982 329 R CB -0.623 29.506 30.300 -0.284 0.000 0.868 329 R HN 0.545 nan 8.270 nan 0.000 0.453 330 A N 0.455 123.191 122.820 -0.141 0.000 2.168 330 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 330 A C 1.919 179.482 177.584 -0.036 0.000 1.152 330 A CA 0.844 52.829 52.037 -0.088 0.000 0.716 330 A CB -0.212 18.723 19.000 -0.107 0.000 0.794 330 A HN 0.196 nan 8.150 nan 0.000 0.465 331 M N -0.616 118.973 119.600 -0.020 0.000 2.486 331 M HA 0.058 4.538 4.480 -0.000 0.000 0.264 331 M C 0.960 177.335 176.300 0.126 0.000 1.125 331 M CA 1.154 56.483 55.300 0.049 0.000 1.144 331 M CB 0.204 32.809 32.600 0.008 0.000 1.353 331 M HN 0.479 nan 8.290 nan 0.000 0.466 332 T N -3.471 111.132 114.554 0.082 0.000 2.901 332 T HA 0.308 4.658 4.350 -0.000 0.000 0.293 332 T C 0.407 175.135 174.700 0.047 0.000 1.084 332 T CA -0.736 61.431 62.100 0.112 0.000 1.008 332 T CB 1.982 70.945 68.868 0.158 0.000 1.170 332 T HN -0.074 nan 8.240 nan 0.000 0.509 333 T N 1.365 115.944 114.554 0.042 0.000 3.129 333 T HA 0.397 4.747 4.350 -0.000 0.000 0.251 333 T C 1.097 175.804 174.700 0.011 0.000 1.117 333 T CA 0.329 62.439 62.100 0.016 0.000 1.034 333 T CB -0.544 68.330 68.868 0.011 0.000 0.968 333 T HN 1.000 nan 8.240 nan 0.000 0.526 334 A N 1.923 124.756 122.820 0.022 0.000 2.498 334 A HA 0.243 4.563 4.320 -0.000 0.000 0.239 334 A C 0.420 178.001 177.584 -0.006 0.000 1.068 334 A CA 0.098 52.143 52.037 0.013 0.000 0.766 334 A CB 0.222 19.238 19.000 0.027 0.000 1.003 334 A HN 0.165 nan 8.150 nan 0.000 0.497 335 E N 3.010 123.201 120.200 -0.016 0.000 3.037 335 E HA 0.269 4.619 4.350 -0.000 0.000 0.220 335 E C 0.078 176.649 176.600 -0.048 0.000 1.142 335 E CA -0.048 56.334 56.400 -0.029 0.000 0.888 335 E CB 0.793 30.477 29.700 -0.026 0.000 1.329 335 E HN 0.697 nan 8.360 nan 0.000 0.409 336 L N -0.289 120.897 121.223 -0.062 0.000 2.513 336 L HA 0.394 4.734 4.340 -0.000 0.000 0.222 336 L C 0.840 177.611 176.870 -0.165 0.000 1.096 336 L CA 0.178 54.953 54.840 -0.109 0.000 0.857 336 L CB 0.299 42.295 42.059 -0.106 0.000 1.026 336 L HN 0.185 nan 8.230 nan 0.000 0.469 337 A N -0.269 122.477 122.820 -0.123 0.000 2.608 337 A HA 0.555 4.874 4.320 -0.000 0.000 0.292 337 A C -1.257 176.285 177.584 -0.070 0.000 1.066 337 A CA -0.630 51.325 52.037 -0.137 0.000 0.676 337 A CB 1.184 20.074 19.000 -0.184 0.000 1.277 337 A HN 0.047 nan 8.150 nan 0.000 0.413 338 E N -0.008 120.156 120.200 -0.060 0.000 2.242 338 E HA 0.674 5.024 4.350 -0.000 0.000 0.275 338 E C -1.137 175.461 176.600 -0.003 0.000 1.002 338 E CA -0.432 55.954 56.400 -0.024 0.000 0.841 338 E CB 2.350 32.037 29.700 -0.021 0.000 1.109 338 E HN 0.541 nan 8.360 nan 0.000 0.394 339 I N 1.504 122.089 120.570 0.025 0.000 2.722 339 I HA 0.123 4.292 4.170 -0.000 0.000 0.292 339 I C -1.573 174.572 176.117 0.048 0.000 1.267 339 I CA -0.603 60.725 61.300 0.046 0.000 1.036 339 I CB 1.978 40.026 38.000 0.079 0.000 1.281 339 I HN 0.402 nan 8.210 nan 0.000 0.423 340 D N 7.141 127.561 120.400 0.035 0.000 2.558 340 D HA 0.509 5.148 4.640 -0.000 0.000 0.221 340 D C -0.431 175.885 176.300 0.026 0.000 1.143 340 D CA 0.193 54.208 54.000 0.025 0.000 1.010 340 D CB 0.577 41.386 40.800 0.016 0.000 1.068 340 D HN 0.568 nan 8.370 nan 0.000 0.511 341 A N 4.075 126.929 122.820 0.056 0.000 3.409 341 A HA 0.341 4.661 4.320 -0.000 0.000 0.282 341 A C -2.598 175.041 177.584 0.091 0.000 1.064 341 A CA -0.970 51.113 52.037 0.076 0.000 0.889 341 A CB 0.578 19.649 19.000 0.119 0.000 1.251 341 A HN 0.246 nan 8.150 nan 0.000 0.538 342 P HA 0.231 nan 4.420 nan 0.000 0.271 342 P C -0.252 177.041 177.300 -0.013 0.000 1.216 342 P CA -0.237 62.864 63.100 0.001 0.000 0.776 342 P CB 1.043 32.735 31.700 -0.013 0.000 0.881 343 L N 4.039 125.236 121.223 -0.043 0.000 2.456 343 L HA 0.217 4.557 4.340 -0.000 0.000 0.277 343 L C 0.379 177.188 176.870 -0.101 0.000 1.124 343 L CA 0.561 55.356 54.840 -0.075 0.000 0.880 343 L CB -0.770 41.238 42.059 -0.086 0.000 1.192 343 L HN 0.375 nan 8.230 nan 0.000 0.463 344 R N 3.850 124.278 120.500 -0.121 0.000 2.514 344 R HA 0.227 4.567 4.340 -0.000 0.000 0.296 344 R C -0.588 175.611 176.300 -0.169 0.000 1.012 344 R CA -0.508 55.518 56.100 -0.123 0.000 0.897 344 R CB 0.864 31.117 30.300 -0.079 0.000 1.184 344 R HN 0.736 nan 8.270 nan 0.000 0.440 345 D N 2.528 122.809 120.400 -0.199 0.000 2.800 345 D HA -0.167 4.472 4.640 -0.000 0.000 0.232 345 D C 0.634 176.744 176.300 -0.316 0.000 1.137 345 D CA 1.911 55.785 54.000 -0.211 0.000 0.718 345 D CB -0.617 40.105 40.800 -0.131 0.000 1.084 345 D HN 1.056 nan 8.370 nan 0.000 0.432 346 G N -1.809 106.649 108.800 -0.571 0.000 2.160 346 G HA2 0.010 3.970 3.960 -0.000 0.000 0.251 346 G HA3 0.010 3.970 3.960 -0.000 0.000 0.251 346 G C 0.519 175.188 174.900 -0.385 0.000 1.008 346 G CA 0.281 44.906 45.100 -0.791 0.000 0.724 346 G HN 1.071 nan 8.290 nan 0.000 0.514 347 G N -1.838 106.804 108.800 -0.262 0.000 2.695 347 G HA2 1.031 4.991 3.960 -0.000 0.000 0.290 347 G HA3 1.031 4.991 3.960 -0.000 0.000 0.290 347 G C -0.727 174.128 174.900 -0.074 0.000 1.410 347 G CA 0.391 45.414 45.100 -0.129 0.000 0.844 347 G HN 1.740 nan 8.290 nan 0.000 0.478 348 A N -0.372 122.434 122.820 -0.022 0.000 2.572 348 A HA 0.873 5.193 4.320 -0.000 0.000 0.295 348 A C -0.617 176.954 177.584 -0.023 0.000 1.072 348 A CA -0.521 51.527 52.037 0.018 0.000 0.691 348 A CB 1.764 20.860 19.000 0.159 0.000 1.291 348 A HN 1.115 nan 8.150 nan 0.000 0.404 349 S N 0.466 116.144 115.700 -0.037 0.000 2.502 349 S HA 0.676 5.146 4.470 -0.000 0.000 0.304 349 S C 0.214 174.736 174.600 -0.130 0.000 1.097 349 S CA -0.037 58.116 58.200 -0.078 0.000 1.045 349 S CB 1.587 64.754 63.200 -0.056 0.000 1.019 349 S HN 1.620 nan 8.310 nan 0.000 0.481 350 A N 5.135 127.827 122.820 -0.213 0.000 2.511 350 A HA 0.458 4.777 4.320 -0.000 0.000 0.242 350 A C -2.002 175.462 177.584 -0.200 0.000 1.069 350 A CA -0.714 51.096 52.037 -0.378 0.000 0.763 350 A CB -0.533 18.150 19.000 -0.528 0.000 1.001 350 A HN 0.511 nan 8.150 nan 0.000 0.498 351 P HA 0.145 nan 4.420 nan 0.000 0.275 351 P C 0.532 177.869 177.300 0.062 0.000 1.266 351 P CA 0.054 63.144 63.100 -0.018 0.000 0.793 351 P CB 0.846 32.556 31.700 0.017 0.000 1.074 352 S N -2.530 113.203 115.700 0.055 0.000 2.539 352 S HA 0.106 4.575 4.470 -0.000 0.000 0.221 352 S C 0.077 174.714 174.600 0.062 0.000 0.987 352 S CA -0.374 57.862 58.200 0.060 0.000 0.929 352 S CB -0.777 62.442 63.200 0.032 0.000 0.832 352 S HN 0.305 nan 8.310 nan 0.000 0.492 353 D N 3.954 124.394 120.400 0.067 0.000 2.423 353 D HA 0.293 4.933 4.640 -0.000 0.000 0.238 353 D C -2.585 173.746 176.300 0.052 0.000 1.142 353 D CA -0.685 53.349 54.000 0.056 0.000 0.884 353 D CB 0.167 41.003 40.800 0.059 0.000 1.199 353 D HN 0.191 nan 8.370 nan 0.000 0.438 354 P HA 0.177 nan 4.420 nan 0.000 0.269 354 P C 0.657 177.964 177.300 0.011 0.000 1.209 354 P CA 0.325 63.437 63.100 0.020 0.000 0.776 354 P CB 0.790 32.503 31.700 0.023 0.000 0.876 355 G N 1.294 110.079 108.800 -0.024 0.000 2.525 355 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 355 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 355 G C 0.662 175.476 174.900 -0.145 0.000 1.238 355 G CA -0.021 45.055 45.100 -0.039 0.000 0.926 355 G HN 0.464 nan 8.290 nan 0.000 0.574 356 L N 1.800 122.993 121.223 -0.050 0.000 2.291 356 L HA 0.309 4.649 4.340 -0.000 0.000 0.214 356 L C 2.443 179.415 176.870 0.170 0.000 1.120 356 L CA 1.392 56.227 54.840 -0.009 0.000 0.799 356 L CB -0.519 41.594 42.059 0.090 0.000 0.925 356 L HN 2.197 nan 8.230 nan 0.000 0.446 357 G N 0.495 109.366 108.800 0.118 0.000 2.137 357 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.237 357 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.237 357 G C 0.001 174.951 174.900 0.083 0.000 1.002 357 G CA -0.202 44.970 45.100 0.121 0.000 0.702 357 G HN 0.203 nan 8.290 nan 0.000 0.515 358 L N -0.283 120.982 121.223 0.072 0.000 2.334 358 L HA 0.632 4.972 4.340 -0.000 0.000 0.277 358 L C 0.994 177.859 176.870 -0.009 0.000 1.075 358 L CA -0.801 54.049 54.840 0.016 0.000 0.804 358 L CB 1.183 43.230 42.059 -0.020 0.000 1.174 358 L HN 0.096 nan 8.230 nan 0.000 0.438 359 R N 2.472 122.942 120.500 -0.050 0.000 2.312 359 R HA 0.412 4.752 4.340 -0.000 0.000 0.310 359 R C -1.167 175.038 176.300 -0.159 0.000 1.064 359 R CA -0.597 55.465 56.100 -0.064 0.000 0.983 359 R CB 1.431 31.715 30.300 -0.028 0.000 1.139 359 R HN 0.306 nan 8.270 nan 0.000 0.536 360 V N 2.884 122.622 119.914 -0.293 0.000 2.530 360 V HA 0.045 4.165 4.120 -0.000 0.000 0.282 360 V C 0.507 176.402 176.094 -0.331 0.000 1.048 360 V CA -0.619 61.371 62.300 -0.518 0.000 0.997 360 V CB 1.239 32.275 31.823 -1.312 0.000 0.987 360 V HN 0.579 nan 8.190 nan 0.000 0.477 361 N N 4.109 122.645 118.700 -0.274 0.000 2.555 361 N HA 0.129 4.869 4.740 -0.000 0.000 0.244 361 N C 1.151 176.556 175.510 -0.174 0.000 1.114 361 N CA 0.116 53.068 53.050 -0.163 0.000 0.963 361 N CB 0.086 38.506 38.487 -0.112 0.000 1.276 361 N HN 0.588 nan 8.380 nan 0.000 0.510 362 R N 2.169 122.603 120.500 -0.109 0.000 2.091 362 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 362 R C 0.316 176.617 176.300 0.001 0.000 1.136 362 R CA 1.513 57.596 56.100 -0.029 0.000 0.959 362 R CB 0.232 30.611 30.300 0.132 0.000 0.856 362 R HN 0.500 nan 8.270 nan 0.000 0.437 363 D N 0.063 120.468 120.400 0.009 0.000 2.178 363 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 363 D C 1.517 177.821 176.300 0.008 0.000 0.980 363 D CA 1.338 55.352 54.000 0.023 0.000 0.842 363 D CB -0.162 40.649 40.800 0.018 0.000 0.948 363 D HN 0.349 nan 8.370 nan 0.000 0.472 364 A N 0.105 122.909 122.820 -0.027 0.000 2.172 364 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 364 A C 2.091 179.664 177.584 -0.019 0.000 1.154 364 A CA 0.582 52.601 52.037 -0.029 0.000 0.701 364 A CB -0.453 18.513 19.000 -0.056 0.000 0.789 364 A HN 0.241 nan 8.150 nan 0.000 0.465 365 L N -1.343 119.867 121.223 -0.022 0.000 2.529 365 L HA 0.301 4.641 4.340 -0.000 0.000 0.223 365 L C 1.263 178.202 176.870 0.114 0.000 1.113 365 L CA 0.299 55.141 54.840 0.004 0.000 0.861 365 L CB -0.645 41.322 42.059 -0.153 0.000 1.012 365 L HN 0.536 nan 8.230 nan 0.000 0.461 366 G N 0.485 109.348 108.800 0.105 0.000 2.787 366 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.685 366 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.685 366 G C -0.072 174.936 174.900 0.180 0.000 1.437 366 G CA -0.266 44.905 45.100 0.118 0.000 0.872 366 G HN 0.071 nan 8.290 nan 0.000 0.566 367 T N 1.703 116.327 114.554 0.117 0.000 2.934 367 T HA 0.443 4.793 4.350 -0.000 0.000 0.306 367 T C -1.506 173.233 174.700 0.065 0.000 1.042 367 T CA -0.015 62.142 62.100 0.094 0.000 1.145 367 T CB 0.071 68.966 68.868 0.044 0.000 0.982 367 T HN 0.555 nan 8.240 nan 0.000 0.544 368 P HA 0.035 nan 4.420 nan 0.000 0.265 368 P C 1.086 178.311 177.300 -0.124 0.000 1.193 368 P CA -0.282 62.677 63.100 -0.236 0.000 0.765 368 P CB 0.405 31.903 31.700 -0.337 0.000 0.823 369 V N -0.031 119.824 119.914 -0.098 0.000 2.667 369 V HA 0.001 4.121 4.120 -0.000 0.000 0.252 369 V C 0.700 176.735 176.094 -0.099 0.000 1.065 369 V CA 1.549 63.814 62.300 -0.059 0.000 1.083 369 V CB -0.952 30.864 31.823 -0.012 0.000 0.692 369 V HN 0.398 nan 8.190 nan 0.000 0.468 370 K N -0.455 119.859 120.400 -0.143 0.000 2.542 370 K HA 0.624 4.944 4.320 -0.000 0.000 0.259 370 K C -1.154 175.271 176.600 -0.291 0.000 0.932 370 K CA -0.100 56.046 56.287 -0.235 0.000 0.820 370 K CB 2.236 34.625 32.500 -0.185 0.000 1.345 370 K HN 0.247 nan 8.250 nan 0.000 0.432 371 T N 3.292 117.582 114.554 -0.440 0.000 2.861 371 T HA 0.660 5.010 4.350 -0.000 0.000 0.287 371 T C -1.224 173.143 174.700 -0.554 0.000 1.003 371 T CA -0.407 61.492 62.100 -0.335 0.000 0.977 371 T CB 0.317 69.066 68.868 -0.197 0.000 0.996 371 T HN 0.297 nan 8.240 nan 0.000 0.448 372 F N 1.292 121.213 119.950 -0.050 0.000 2.532 372 F HA 0.733 5.260 4.527 -0.000 0.000 0.321 372 F C 1.098 176.874 175.800 -0.039 0.000 1.089 372 F CA 0.049 58.025 58.000 -0.041 0.000 0.926 372 F CB 1.988 40.964 39.000 -0.039 0.000 1.168 372 F HN 0.928 nan 8.300 nan 0.000 0.459 373 G N 2.657 111.542 108.800 0.141 0.000 2.578 373 G HA2 0.108 4.068 3.960 -0.000 0.000 0.232 373 G HA3 0.108 4.068 3.960 -0.000 0.000 0.232 373 G C -1.496 173.416 174.900 0.021 0.000 1.176 373 G CA 0.001 45.139 45.100 0.064 0.000 0.968 373 G HN 1.009 nan 8.290 nan 0.000 0.583 374 D N 0.000 120.404 120.400 0.007 0.000 6.856 374 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 374 D CA 0.000 53.996 54.000 -0.007 0.000 0.868 374 D CB 0.000 40.796 40.800 -0.006 0.000 0.688 374 D HN 0.000 nan 8.370 nan 0.000 0.683