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 2b9v_1_M DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.000 0.000 1.023 50 H CB 0.000 29.762 29.762 0.000 0.000 1.292 51 D N 4.484 124.893 120.400 0.014 0.000 2.358 51 D HA 0.122 4.762 4.640 0.000 0.000 0.258 51 D C -1.205 175.077 176.300 -0.030 0.000 1.223 51 D CA -1.931 52.050 54.000 -0.032 0.000 0.886 51 D CB 1.299 42.098 40.800 -0.001 0.000 1.120 51 D HN 0.289 nan 8.370 nan 0.000 0.482 52 P HA -0.062 nan 4.420 nan 0.000 0.225 52 P C 1.191 178.486 177.300 -0.009 0.000 1.156 52 P CA 0.585 63.660 63.100 -0.042 0.000 0.787 52 P CB 0.269 31.927 31.700 -0.070 0.000 0.802 53 L N -1.323 119.894 121.223 -0.011 0.000 2.612 53 L HA 0.134 4.474 4.340 0.000 0.000 0.230 53 L C 1.579 178.452 176.870 0.006 0.000 1.140 53 L CA 0.445 55.284 54.840 -0.002 0.000 0.896 53 L CB -0.289 41.767 42.059 -0.006 0.000 1.065 53 L HN -0.037 nan 8.230 nan 0.000 0.447 54 S N -2.030 113.678 115.700 0.014 0.000 3.265 54 S HA 0.170 4.640 4.470 0.000 0.000 0.259 54 S C 0.351 174.970 174.600 0.032 0.000 1.089 54 S CA -0.210 58.002 58.200 0.020 0.000 0.811 54 S CB 1.101 64.312 63.200 0.019 0.000 0.858 54 S HN -0.055 nan 8.310 nan 0.000 0.452 55 V N 3.365 123.310 119.914 0.052 0.000 2.347 55 V HA 0.569 4.689 4.120 0.000 0.000 0.280 55 V C -0.602 175.548 176.094 0.093 0.000 1.021 55 V CA -0.418 61.926 62.300 0.074 0.000 0.847 55 V CB 1.266 33.156 31.823 0.111 0.000 0.990 55 V HN 0.273 nan 8.190 nan 0.000 0.444 56 Q N 3.400 123.237 119.800 0.062 0.000 2.400 56 Q HA 0.371 4.711 4.340 0.000 0.000 0.255 56 Q C 0.665 176.694 176.000 0.048 0.000 1.008 56 Q CA -0.067 55.772 55.803 0.058 0.000 0.841 56 Q CB 1.529 30.288 28.738 0.035 0.000 1.220 56 Q HN 0.873 nan 8.270 nan 0.000 0.474 57 T N -0.073 114.519 114.554 0.063 0.000 3.069 57 T HA 0.404 4.754 4.350 0.000 0.000 0.252 57 T C 0.781 175.496 174.700 0.024 0.000 1.053 57 T CA 0.244 62.357 62.100 0.023 0.000 0.964 57 T CB 0.534 69.389 68.868 -0.022 0.000 1.005 57 T HN 0.446 nan 8.240 nan 0.000 0.532 58 G N 1.022 109.844 108.800 0.037 0.000 3.134 58 G HA2 0.551 4.511 3.960 0.000 0.000 0.158 58 G HA3 0.551 4.511 3.960 0.000 0.000 0.158 58 G C -0.807 174.105 174.900 0.020 0.000 1.334 58 G CA -0.503 44.614 45.100 0.028 0.000 1.001 58 G HN 0.356 nan 8.290 nan 0.000 0.600 59 S N -0.958 114.752 115.700 0.018 0.000 2.503 59 S HA 0.409 4.879 4.470 0.000 0.000 0.301 59 S C -0.085 174.523 174.600 0.013 0.000 1.087 59 S CA -0.584 57.624 58.200 0.013 0.000 1.042 59 S CB 1.672 64.879 63.200 0.011 0.000 1.043 59 S HN 0.333 nan 8.310 nan 0.000 0.489 60 D N 2.481 122.888 120.400 0.011 0.000 2.355 60 D HA 0.175 4.815 4.640 0.000 0.000 0.218 60 D C 0.109 176.414 176.300 0.008 0.000 1.004 60 D CA 0.581 54.586 54.000 0.010 0.000 0.880 60 D CB 0.090 40.895 40.800 0.009 0.000 0.911 60 D HN 0.520 nan 8.370 nan 0.000 0.528 61 I N 3.165 123.740 120.570 0.008 0.000 2.301 61 I HA 0.130 4.300 4.170 0.000 0.000 0.292 61 I C -1.522 174.600 176.117 0.008 0.000 1.046 61 I CA -1.640 59.664 61.300 0.008 0.000 1.282 61 I CB 0.823 38.828 38.000 0.007 0.000 1.409 61 I HN -0.203 nan 8.210 nan 0.000 0.484 73 R N 2.124 122.555 120.500 -0.115 0.000 2.641 73 R HA 0.039 4.379 4.340 0.000 0.000 0.269 73 R C 0.199 176.427 176.300 -0.120 0.000 1.074 73 R CA 0.763 56.752 56.100 -0.184 0.000 1.133 73 R CB 0.258 30.250 30.300 -0.512 0.000 1.029 73 R HN 0.146 nan 8.270 nan 0.000 0.488 74 D N 0.537 120.935 120.400 -0.003 0.000 2.388 74 D HA 0.024 4.664 4.640 0.000 0.000 0.221 74 D C -0.543 175.854 176.300 0.161 0.000 1.133 74 D CA -0.117 53.928 54.000 0.076 0.000 0.831 74 D CB -0.121 40.746 40.800 0.111 0.000 0.962 74 D HN 0.488 nan 8.370 nan 0.000 0.502 75 Y N -1.123 119.191 120.300 0.023 0.000 2.638 75 Y HA 0.549 5.099 4.550 0.000 0.000 0.335 75 Y C -1.315 174.601 175.900 0.027 0.000 1.155 75 Y CA -1.899 56.217 58.100 0.028 0.000 1.046 75 Y CB 0.957 39.438 38.460 0.035 0.000 1.303 75 Y HN -0.051 nan 8.280 nan 0.000 0.460 76 I N 0.406 121.081 120.570 0.174 0.000 2.569 76 I HA 0.685 4.855 4.170 0.000 0.000 0.296 76 I C -1.309 174.960 176.117 0.253 0.000 1.028 76 I CA -1.083 60.272 61.300 0.092 0.000 1.082 76 I CB 2.267 40.293 38.000 0.044 0.000 1.264 76 I HN 0.783 nan 8.210 nan 0.000 0.429 77 K N 5.557 126.081 120.400 0.207 0.000 2.323 77 K HA 0.564 4.884 4.320 0.000 0.000 0.259 77 K C -1.091 175.578 176.600 0.114 0.000 0.947 77 K CA -0.706 55.702 56.287 0.202 0.000 0.819 77 K CB 1.738 34.395 32.500 0.262 0.000 1.109 77 K HN 0.743 nan 8.250 nan 0.000 0.429 78 R N 2.778 123.331 120.500 0.088 0.000 2.494 78 R HA 0.252 4.592 4.340 0.000 0.000 0.305 78 R C -0.936 175.366 176.300 0.005 0.000 0.959 78 R CA -0.717 55.418 56.100 0.059 0.000 0.864 78 R CB 1.921 32.265 30.300 0.074 0.000 1.159 78 R HN 0.594 nan 8.270 nan 0.000 0.446 79 E N 2.382 122.572 120.200 -0.016 0.000 2.129 79 E HA 0.363 4.713 4.350 0.000 0.000 0.268 79 E C -0.880 175.645 176.600 -0.125 0.000 0.900 79 E CA -0.659 55.660 56.400 -0.135 0.000 0.755 79 E CB 2.125 31.820 29.700 -0.008 0.000 1.117 79 E HN 0.150 nan 8.360 nan 0.000 0.410 80 V N 2.471 122.237 119.914 -0.245 0.000 3.001 80 V HA 0.436 4.556 4.120 0.000 0.000 0.314 80 V C -0.332 175.592 176.094 -0.285 0.000 1.099 80 V CA -1.101 61.076 62.300 -0.205 0.000 0.989 80 V CB 2.123 33.801 31.823 -0.242 0.000 1.040 80 V HN 0.690 nan 8.190 nan 0.000 0.434 81 M N 2.538 122.015 119.600 -0.206 0.000 2.060 81 M HA 0.395 4.875 4.480 0.000 0.000 0.342 81 M C -0.768 175.358 176.300 -0.290 0.000 1.031 81 M CA -0.367 54.834 55.300 -0.164 0.000 0.981 81 M CB 0.950 33.528 32.600 -0.035 0.000 1.376 81 M HN 0.398 nan 8.290 nan 0.000 0.397 82 V N 6.778 126.424 119.914 -0.447 0.000 2.508 82 V HA 0.252 4.372 4.120 0.000 0.000 0.281 82 V C -1.850 174.088 176.094 -0.260 0.000 1.041 82 V CA -1.051 60.877 62.300 -0.621 0.000 1.016 82 V CB 0.727 32.092 31.823 -0.762 0.000 0.984 82 V HN 0.536 nan 8.190 nan 0.000 0.478 83 P HA 0.317 nan 4.420 nan 0.000 0.285 83 P C -0.541 176.774 177.300 0.024 0.000 1.259 83 P CA -0.475 62.611 63.100 -0.023 0.000 0.794 83 P CB 0.965 32.683 31.700 0.031 0.000 0.940 84 M N 2.805 122.430 119.600 0.040 0.000 2.219 84 M HA 0.262 4.742 4.480 0.000 0.000 0.280 84 M C 2.090 178.436 176.300 0.076 0.000 1.189 84 M CA -0.553 54.789 55.300 0.071 0.000 1.010 84 M CB 0.233 32.874 32.600 0.068 0.000 1.422 84 M HN 0.403 nan 8.290 nan 0.000 0.504 85 R N 0.606 121.154 120.500 0.080 0.000 2.193 85 R HA -0.140 4.200 4.340 0.000 0.000 0.229 85 R C 0.380 176.704 176.300 0.040 0.000 1.110 85 R CA 1.801 57.936 56.100 0.059 0.000 0.988 85 R CB -0.542 29.778 30.300 0.034 0.000 0.871 85 R HN 0.665 nan 8.270 nan 0.000 0.458 86 D N -0.873 119.552 120.400 0.041 0.000 2.363 86 D HA 0.122 4.762 4.640 0.000 0.000 0.214 86 D C 1.122 177.443 176.300 0.035 0.000 1.093 86 D CA 0.446 54.466 54.000 0.034 0.000 0.837 86 D CB 0.587 41.407 40.800 0.034 0.000 0.948 86 D HN 0.387 nan 8.370 nan 0.000 0.507 87 G N -0.200 108.624 108.800 0.039 0.000 2.234 87 G HA2 -0.274 3.686 3.960 0.000 0.000 0.235 87 G HA3 -0.274 3.686 3.960 0.000 0.000 0.235 87 G C 0.233 175.154 174.900 0.034 0.000 0.997 87 G CA 0.091 45.213 45.100 0.036 0.000 0.623 87 G HN 0.366 nan 8.290 nan 0.000 0.514 88 V N 2.233 122.169 119.914 0.038 0.000 2.585 88 V HA 0.330 4.450 4.120 0.000 0.000 0.296 88 V C 0.745 176.857 176.094 0.030 0.000 1.035 88 V CA 0.486 62.809 62.300 0.038 0.000 1.084 88 V CB 1.203 33.055 31.823 0.049 0.000 0.953 88 V HN 0.363 nan 8.190 nan 0.000 0.483 89 K N 5.858 126.273 120.400 0.024 0.000 2.159 89 K HA 0.655 4.975 4.320 0.000 0.000 0.266 89 K C -1.034 175.577 176.600 0.018 0.000 0.975 89 K CA -0.511 55.778 56.287 0.003 0.000 0.865 89 K CB 1.570 34.069 32.500 -0.001 0.000 1.087 89 K HN 0.482 nan 8.250 nan 0.000 0.446 90 L N 3.132 124.348 121.223 -0.012 0.000 2.322 90 L HA 0.335 4.675 4.340 0.000 0.000 0.281 90 L C -0.506 176.374 176.870 0.016 0.000 1.014 90 L CA -1.217 53.640 54.840 0.028 0.000 0.815 90 L CB 0.760 42.833 42.059 0.023 0.000 1.247 90 L HN 0.572 nan 8.230 nan 0.000 0.421 91 Y N 2.718 123.003 120.300 -0.026 0.000 2.569 91 Y HA 0.151 4.701 4.550 0.000 0.000 0.332 91 Y C -0.181 175.703 175.900 -0.026 0.000 1.120 91 Y CA 0.240 58.324 58.100 -0.026 0.000 1.416 91 Y CB 0.545 39.011 38.460 0.010 0.000 1.210 91 Y HN 0.491 nan 8.280 nan 0.000 0.528 92 T N 6.387 120.597 114.554 -0.574 0.000 2.848 92 T HA 0.496 4.846 4.350 0.000 0.000 0.285 92 T C -1.119 173.288 174.700 -0.489 0.000 0.995 92 T CA -0.712 61.147 62.100 -0.402 0.000 0.970 92 T CB 1.228 69.906 68.868 -0.317 0.000 0.976 92 T HN 0.370 nan 8.240 nan 0.000 0.441 93 V N 4.330 124.091 119.914 -0.255 0.000 2.398 93 V HA 0.556 4.676 4.120 0.000 0.000 0.286 93 V C -0.523 175.571 176.094 -0.000 0.000 1.026 93 V CA -0.787 61.438 62.300 -0.126 0.000 0.868 93 V CB 1.140 32.974 31.823 0.020 0.000 0.982 93 V HN 0.763 nan 8.190 nan 0.000 0.443 94 I N 5.078 125.659 120.570 0.019 0.000 2.389 94 I HA 0.457 4.627 4.170 0.000 0.000 0.288 94 I C -0.375 175.792 176.117 0.085 0.000 0.999 94 I CA -0.436 60.898 61.300 0.057 0.000 1.129 94 I CB 2.039 40.083 38.000 0.074 0.000 1.288 94 I HN 0.291 nan 8.210 nan 0.000 0.444 95 V N 7.459 127.424 119.914 0.085 0.000 2.334 95 V HA 0.481 4.601 4.120 0.000 0.000 0.281 95 V C -0.004 176.146 176.094 0.094 0.000 1.016 95 V CA -0.409 61.949 62.300 0.096 0.000 0.832 95 V CB 1.011 32.848 31.823 0.023 0.000 0.999 95 V HN 0.477 nan 8.190 nan 0.000 0.439 96 I N 7.163 127.812 120.570 0.131 0.000 2.404 96 I HA 0.436 4.606 4.170 0.000 0.000 0.293 96 I C -2.438 173.760 176.117 0.136 0.000 0.992 96 I CA -2.283 59.080 61.300 0.105 0.000 1.149 96 I CB 2.514 40.562 38.000 0.079 0.000 1.315 96 I HN 0.387 nan 8.210 nan 0.000 0.446 97 P HA 0.092 nan 4.420 nan 0.000 0.269 97 P C -0.742 176.611 177.300 0.087 0.000 1.209 97 P CA -0.382 62.788 63.100 0.117 0.000 0.776 97 P CB 0.494 32.245 31.700 0.085 0.000 0.876 98 K N 2.292 122.742 120.400 0.083 0.000 2.436 98 K HA -0.007 4.313 4.320 0.000 0.000 0.275 98 K C 0.480 177.098 176.600 0.030 0.000 0.999 98 K CA 0.467 56.780 56.287 0.044 0.000 0.980 98 K CB -0.491 32.024 32.500 0.026 0.000 0.919 98 K HN 0.438 nan 8.250 nan 0.000 0.484 99 N N -0.275 118.435 118.700 0.016 0.000 2.714 99 N HA -0.252 4.488 4.740 0.000 0.000 0.250 99 N C -1.194 174.320 175.510 0.006 0.000 1.117 99 N CA 0.615 53.670 53.050 0.008 0.000 0.719 99 N CB -0.677 37.814 38.487 0.006 0.000 1.081 99 N HN 0.616 nan 8.380 nan 0.000 0.557 100 A N 0.690 123.516 122.820 0.010 0.000 2.366 100 A HA 0.606 4.926 4.320 0.000 0.000 0.272 100 A C 0.524 178.099 177.584 -0.015 0.000 1.135 100 A CA 0.054 52.092 52.037 0.001 0.000 0.804 100 A CB 0.635 19.642 19.000 0.011 0.000 1.064 100 A HN 0.349 nan 8.150 nan 0.000 0.499 101 R N 2.004 122.488 120.500 -0.027 0.000 2.515 101 R HA 0.370 4.710 4.340 0.000 0.000 0.291 101 R C -0.631 175.637 176.300 -0.053 0.000 1.046 101 R CA -0.175 55.903 56.100 -0.037 0.000 0.914 101 R CB 0.550 30.832 30.300 -0.030 0.000 1.191 101 R HN 1.014 nan 8.270 nan 0.000 0.435 102 N N 0.899 119.560 118.700 -0.064 0.000 2.780 102 N HA -0.232 4.508 4.740 0.000 0.000 0.248 102 N C -0.973 174.474 175.510 -0.106 0.000 1.102 102 N CA 0.531 53.532 53.050 -0.081 0.000 0.697 102 N CB -0.921 37.523 38.487 -0.073 0.000 1.028 102 N HN 0.517 nan 8.380 nan 0.000 0.554 103 A N 0.432 123.188 122.820 -0.107 0.000 2.309 103 A HA 0.623 4.943 4.320 0.000 0.000 0.298 103 A C -1.880 175.590 177.584 -0.191 0.000 1.165 103 A CA -1.351 50.595 52.037 -0.152 0.000 0.821 103 A CB 0.721 19.661 19.000 -0.100 0.000 1.102 103 A HN 0.098 nan 8.150 nan 0.000 0.500 104 P HA 0.299 nan 4.420 nan 0.000 0.272 104 P C -0.702 176.497 177.300 -0.168 0.000 1.230 104 P CA 0.095 63.018 63.100 -0.294 0.000 0.788 104 P CB 0.698 32.103 31.700 -0.491 0.000 0.949 105 I N 1.543 122.075 120.570 -0.063 0.000 2.377 105 I HA 0.274 4.444 4.170 0.000 0.000 0.293 105 I C 0.058 176.198 176.117 0.039 0.000 0.987 105 I CA -0.913 60.384 61.300 -0.005 0.000 1.185 105 I CB 1.503 39.479 38.000 -0.041 0.000 1.341 105 I HN 0.141 nan 8.210 nan 0.000 0.455 106 L N 7.784 129.013 121.223 0.010 0.000 2.295 106 L HA 0.502 4.842 4.340 0.000 0.000 0.281 106 L C -1.000 175.758 176.870 -0.186 0.000 1.018 106 L CA -0.394 54.384 54.840 -0.103 0.000 0.841 106 L CB 1.242 43.101 42.059 -0.334 0.000 1.218 106 L HN 0.460 nan 8.230 nan 0.000 0.424 107 L N 4.529 125.668 121.223 -0.139 0.000 2.325 107 L HA 0.805 5.145 4.340 0.000 0.000 0.278 107 L C -0.565 176.198 176.870 -0.178 0.000 1.023 107 L CA 0.436 55.176 54.840 -0.167 0.000 0.811 107 L CB 2.052 44.060 42.059 -0.086 0.000 1.249 107 L HN 0.632 nan 8.230 nan 0.000 0.431 108 T N 4.580 118.986 114.554 -0.247 0.000 2.921 108 T HA 0.553 4.903 4.350 0.000 0.000 0.297 108 T C -0.765 173.942 174.700 0.012 0.000 1.013 108 T CA -0.628 61.393 62.100 -0.131 0.000 0.990 108 T CB 1.295 70.011 68.868 -0.252 0.000 1.023 108 T HN 0.558 nan 8.240 nan 0.000 0.447 109 R N 1.481 122.047 120.500 0.111 0.000 2.393 109 R HA 0.780 5.120 4.340 0.000 0.000 0.310 109 R C -0.382 176.052 176.300 0.223 0.000 0.968 109 R CA -0.811 55.386 56.100 0.161 0.000 0.867 109 R CB 1.876 32.268 30.300 0.154 0.000 1.124 109 R HN 0.564 nan 8.270 nan 0.000 0.450 110 T N 1.734 116.406 114.554 0.197 0.000 2.900 110 T HA 0.411 4.761 4.350 0.000 0.000 0.303 110 T C -2.401 172.269 174.700 -0.050 0.000 1.142 110 T CA -1.918 60.261 62.100 0.131 0.000 1.007 110 T CB 1.926 70.930 68.868 0.227 0.000 1.156 110 T HN 0.357 nan 8.240 nan 0.000 0.490 111 P HA 0.240 nan 4.420 nan 0.000 0.268 111 P C -0.354 176.740 177.300 -0.343 0.000 1.329 111 P CA -0.018 62.782 63.100 -0.501 0.000 0.899 111 P CB -0.095 30.989 31.700 -1.027 0.000 1.378 112 Y N 0.681 120.981 120.300 -0.001 0.000 2.801 112 Y HA 0.308 4.858 4.550 0.000 0.000 0.318 112 Y C 0.553 176.238 175.900 -0.358 0.000 1.073 112 Y CA -1.420 56.642 58.100 -0.063 0.000 1.360 112 Y CB -1.326 37.143 38.460 0.015 0.000 1.220 112 Y HN 0.078 nan 8.280 nan 0.000 0.536 113 N N 0.280 118.602 118.700 -0.630 0.000 2.531 113 N HA -0.226 4.514 4.740 0.000 0.000 0.279 113 N C 1.001 176.305 175.510 -0.344 0.000 1.267 113 N CA 0.179 52.666 53.050 -0.938 0.000 0.663 113 N CB -0.290 37.452 38.487 -1.243 0.000 0.886 113 N HN 0.533 nan 8.380 nan 0.000 0.544 114 A N 3.133 125.881 122.820 -0.121 0.000 1.927 114 A HA -0.255 4.065 4.320 0.000 0.000 0.220 114 A C 1.967 179.543 177.584 -0.013 0.000 1.185 114 A CA 2.035 54.086 52.037 0.023 0.000 0.639 114 A CB -0.353 18.787 19.000 0.233 0.000 0.820 114 A HN 0.769 nan 8.150 nan 0.000 0.451 115 K N -0.919 119.506 120.400 0.042 0.000 2.057 115 K HA -0.121 4.199 4.320 0.000 0.000 0.207 115 K C 2.005 178.564 176.600 -0.069 0.000 1.049 115 K CA 1.480 57.804 56.287 0.063 0.000 0.931 115 K CB -0.491 32.020 32.500 0.018 0.000 0.714 115 K HN 0.415 nan 8.250 nan 0.000 0.440 116 G N 0.672 109.381 108.800 -0.152 0.000 2.403 116 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 116 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 116 G C 1.416 176.186 174.900 -0.216 0.000 1.154 116 G CA -0.011 44.993 45.100 -0.161 0.000 0.784 116 G HN 0.153 nan 8.290 nan 0.000 0.538 117 R N 0.874 121.175 120.500 -0.332 0.000 2.120 117 R HA 0.035 4.375 4.340 0.000 0.000 0.234 117 R C 2.141 178.031 176.300 -0.683 0.000 1.123 117 R CA 1.042 56.807 56.100 -0.559 0.000 0.975 117 R CB -0.591 29.184 30.300 -0.876 0.000 0.866 117 R HN 0.335 nan 8.270 nan 0.000 0.446 118 A N 0.673 123.192 122.820 -0.501 0.000 2.507 118 A HA 0.160 4.480 4.320 0.000 0.000 0.270 118 A C 0.133 177.635 177.584 -0.137 0.000 1.318 118 A CA -0.200 51.672 52.037 -0.275 0.000 0.924 118 A CB 0.029 18.983 19.000 -0.077 0.000 1.061 118 A HN 0.046 nan 8.150 nan 0.000 0.516 119 N N 0.122 118.739 118.700 -0.137 0.000 2.646 119 N HA 0.108 4.848 4.740 0.000 0.000 0.296 119 N C 1.024 176.495 175.510 -0.065 0.000 1.886 119 N CA -0.282 52.726 53.050 -0.070 0.000 0.855 119 N CB 0.255 38.718 38.487 -0.039 0.000 1.336 119 N HN 0.399 nan 8.380 nan 0.000 0.496 120 R N -0.241 120.215 120.500 -0.073 0.000 2.094 120 R HA -0.012 4.328 4.340 0.000 0.000 0.239 120 R C -0.227 176.061 176.300 -0.021 0.000 1.137 120 R CA 1.360 57.433 56.100 -0.045 0.000 0.943 120 R CB 0.005 30.284 30.300 -0.035 0.000 0.850 120 R HN 0.005 nan 8.270 nan 0.000 0.433 121 V N 4.545 124.451 119.914 -0.013 0.000 2.293 121 V HA 0.244 4.364 4.120 0.000 0.000 0.275 121 V C -2.242 173.861 176.094 0.014 0.000 1.021 121 V CA -1.843 60.460 62.300 0.005 0.000 0.815 121 V CB 1.411 33.242 31.823 0.014 0.000 1.025 121 V HN 0.239 nan 8.190 nan 0.000 0.448 122 P HA -0.007 nan 4.420 nan 0.000 0.258 122 P C 0.314 177.645 177.300 0.052 0.000 1.172 122 P CA 0.607 63.722 63.100 0.025 0.000 0.762 122 P CB -0.135 31.575 31.700 0.017 0.000 0.764 123 N N -0.403 118.346 118.700 0.082 0.000 2.708 123 N HA -0.208 4.532 4.740 0.000 0.000 0.249 123 N C 0.263 175.859 175.510 0.144 0.000 1.097 123 N CA 0.272 53.397 53.050 0.125 0.000 0.710 123 N CB -1.259 37.275 38.487 0.078 0.000 1.032 123 N HN 0.614 nan 8.380 nan 0.000 0.551 124 A N -0.000 122.913 122.820 0.155 0.000 2.429 124 A HA 0.252 4.572 4.320 0.000 0.000 0.242 124 A C 1.386 179.113 177.584 0.237 0.000 1.088 124 A CA 0.022 52.147 52.037 0.148 0.000 0.784 124 A CB 0.291 19.353 19.000 0.104 0.000 1.038 124 A HN 0.346 nan 8.150 nan 0.000 0.501 125 L N 0.128 121.447 121.223 0.161 0.000 2.418 125 L HA 0.061 4.401 4.340 0.000 0.000 0.218 125 L C 1.236 178.237 176.870 0.217 0.000 1.125 125 L CA 1.188 56.108 54.840 0.134 0.000 0.835 125 L CB -0.655 41.443 42.059 0.064 0.000 0.953 125 L HN 0.907 nan 8.230 nan 0.000 0.454 126 T N -4.536 110.162 114.554 0.240 0.000 2.887 126 T HA 0.284 4.634 4.350 0.000 0.000 0.288 126 T C 0.617 175.413 174.700 0.160 0.000 1.021 126 T CA -0.680 61.552 62.100 0.220 0.000 1.000 126 T CB 2.406 71.337 68.868 0.106 0.000 1.034 126 T HN -0.013 nan 8.240 nan 0.000 0.467 127 M N 0.912 120.583 119.600 0.118 0.000 2.159 127 M HA -0.019 4.461 4.480 0.000 0.000 0.263 127 M C 2.384 178.622 176.300 -0.103 0.000 1.063 127 M CA 1.530 56.732 55.300 -0.164 0.000 1.110 127 M CB -0.220 32.351 32.600 -0.048 0.000 1.374 127 M HN 0.757 nan 8.290 nan 0.000 0.411 128 R N 0.691 121.181 120.500 -0.017 0.000 2.117 128 R HA -0.168 4.172 4.340 0.000 0.000 0.243 128 R C 1.561 177.849 176.300 -0.020 0.000 1.143 128 R CA 2.179 58.272 56.100 -0.012 0.000 0.968 128 R CB -0.352 29.952 30.300 0.007 0.000 0.863 128 R HN 0.551 nan 8.270 nan 0.000 0.444 129 E N -1.172 119.020 120.200 -0.013 0.000 2.170 129 E HA -0.070 4.280 4.350 0.000 0.000 0.191 129 E C 1.818 178.398 176.600 -0.034 0.000 0.981 129 E CA 0.942 57.337 56.400 -0.008 0.000 0.830 129 E CB 0.047 29.759 29.700 0.021 0.000 0.775 129 E HN 0.116 nan 8.360 nan 0.000 0.470 130 V N 1.165 121.027 119.914 -0.087 0.000 2.591 130 V HA -0.034 4.086 4.120 0.000 0.000 0.249 130 V C 0.838 176.861 176.094 -0.119 0.000 1.053 130 V CA 0.816 63.038 62.300 -0.131 0.000 1.068 130 V CB 0.056 31.698 31.823 -0.302 0.000 0.689 130 V HN 0.077 nan 8.190 nan 0.000 0.462 131 L N 0.774 121.938 121.223 -0.098 0.000 2.360 131 L HA 0.414 4.754 4.340 0.000 0.000 0.271 131 L C -2.149 174.711 176.870 -0.016 0.000 1.057 131 L CA -1.986 52.835 54.840 -0.033 0.000 0.803 131 L CB 0.851 42.914 42.059 0.007 0.000 1.207 131 L HN 0.022 nan 8.230 nan 0.000 0.445 132 P HA -0.065 nan 4.420 nan 0.000 0.270 132 P C 0.062 177.351 177.300 -0.020 0.000 1.227 132 P CA -0.094 63.002 63.100 -0.006 0.000 0.788 132 P CB 0.481 32.185 31.700 0.007 0.000 0.926 133 Q N 1.235 121.009 119.800 -0.043 0.000 2.135 133 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 133 Q C 1.989 177.940 176.000 -0.081 0.000 0.981 133 Q CA 2.163 57.936 55.803 -0.050 0.000 0.856 133 Q CB -1.013 27.711 28.738 -0.023 0.000 0.902 133 Q HN 0.683 nan 8.270 nan 0.000 0.425 134 G N -0.064 108.644 108.800 -0.153 0.000 2.559 134 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 134 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 134 G C 0.457 175.347 174.900 -0.017 0.000 1.126 134 G CA 0.803 45.835 45.100 -0.115 0.000 0.778 134 G HN 0.374 nan 8.290 nan 0.000 0.543 135 D N 0.703 121.105 120.400 0.004 0.000 2.328 135 D HA 0.049 4.689 4.640 0.000 0.000 0.221 135 D C 1.862 178.182 176.300 0.033 0.000 1.072 135 D CA 0.351 54.384 54.000 0.056 0.000 0.850 135 D CB 0.166 40.994 40.800 0.047 0.000 0.922 135 D HN 0.399 nan 8.370 nan 0.000 0.516 136 D N 0.768 121.157 120.400 -0.019 0.000 2.106 136 D HA -0.200 4.440 4.640 0.000 0.000 0.191 136 D C 2.048 178.293 176.300 -0.093 0.000 0.997 136 D CA 1.705 55.685 54.000 -0.033 0.000 0.834 136 D CB -0.909 39.886 40.800 -0.009 0.000 0.956 136 D HN 0.256 nan 8.370 nan 0.000 0.448 137 V N -2.456 117.320 119.914 -0.231 0.000 2.720 137 V HA -0.096 4.024 4.120 0.000 0.000 0.256 137 V C 2.325 178.102 176.094 -0.529 0.000 1.082 137 V CA 1.126 63.177 62.300 -0.415 0.000 1.101 137 V CB -1.239 30.191 31.823 -0.654 0.000 0.693 137 V HN -0.017 nan 8.190 nan 0.000 0.479 138 F N 0.220 119.967 119.950 -0.338 0.000 2.335 138 F HA 0.156 4.683 4.527 0.000 0.000 0.296 138 F C 2.381 178.112 175.800 -0.114 0.000 1.091 138 F CA 1.138 58.887 58.000 -0.418 0.000 1.399 138 F CB -0.585 38.013 39.000 -0.669 0.000 1.067 138 F HN -0.030 nan 8.300 nan 0.000 0.520 139 V N 0.089 120.044 119.914 0.068 0.000 2.427 139 V HA -0.247 3.873 4.120 0.000 0.000 0.248 139 V C 2.028 178.159 176.094 0.061 0.000 1.051 139 V CA 1.868 64.210 62.300 0.070 0.000 1.048 139 V CB -0.553 31.289 31.823 0.031 0.000 0.666 139 V HN 0.312 nan 8.190 nan 0.000 0.456 140 E N 0.345 120.554 120.200 0.015 0.000 2.150 140 E HA -0.116 4.234 4.350 0.000 0.000 0.193 140 E C 2.195 178.816 176.600 0.035 0.000 0.985 140 E CA 1.116 57.520 56.400 0.007 0.000 0.814 140 E CB -0.354 29.328 29.700 -0.031 0.000 0.752 140 E HN 0.634 nan 8.360 nan 0.000 0.466 141 G N -0.210 108.635 108.800 0.076 0.000 2.813 141 G HA2 0.128 4.088 3.960 0.000 0.000 0.209 141 G HA3 0.128 4.088 3.960 0.000 0.000 0.209 141 G C 0.997 176.027 174.900 0.218 0.000 1.150 141 G CA 0.206 45.408 45.100 0.170 0.000 0.785 141 G HN 0.381 nan 8.290 nan 0.000 0.535 142 G N -1.245 107.675 108.800 0.201 0.000 2.149 142 G HA2 -0.279 3.681 3.960 0.000 0.000 0.235 142 G HA3 -0.279 3.681 3.960 0.000 0.000 0.235 142 G C 0.043 175.026 174.900 0.139 0.000 1.018 142 G CA -0.106 45.072 45.100 0.130 0.000 0.728 142 G HN 0.346 nan 8.290 nan 0.000 0.508 143 Y N -0.585 119.748 120.300 0.055 0.000 2.314 143 Y HA 0.611 5.161 4.550 0.000 0.000 0.334 143 Y C 1.481 177.386 175.900 0.009 0.000 1.266 143 Y CA -0.694 57.430 58.100 0.040 0.000 1.391 143 Y CB 0.609 39.109 38.460 0.066 0.000 1.306 143 Y HN 0.179 nan 8.280 nan 0.000 0.558 144 I N 2.542 123.184 120.570 0.120 0.000 2.396 144 I HA 0.332 4.502 4.170 0.000 0.000 0.292 144 I C -0.244 175.903 176.117 0.050 0.000 0.999 144 I CA -0.726 60.613 61.300 0.065 0.000 1.310 144 I CB 1.241 39.253 38.000 0.021 0.000 1.404 144 I HN 0.378 nan 8.210 nan 0.000 0.496 145 R N 5.022 125.533 120.500 0.019 0.000 2.437 145 R HA 0.646 4.986 4.340 0.000 0.000 0.310 145 R C -1.728 174.538 176.300 -0.056 0.000 0.955 145 R CA -0.469 55.598 56.100 -0.055 0.000 0.851 145 R CB 1.434 31.721 30.300 -0.022 0.000 1.161 145 R HN 0.394 nan 8.270 nan 0.000 0.446 146 V N 5.357 125.172 119.914 -0.164 0.000 2.604 146 V HA 0.584 4.704 4.120 0.000 0.000 0.305 146 V C -0.905 175.026 176.094 -0.271 0.000 1.043 146 V CA -0.616 61.617 62.300 -0.113 0.000 0.888 146 V CB 1.652 33.433 31.823 -0.070 0.000 0.995 146 V HN 0.620 nan 8.190 nan 0.000 0.429 147 F N 2.722 122.664 119.950 -0.013 0.000 2.518 147 F HA 0.603 5.130 4.527 0.000 0.000 0.323 147 F C 0.017 175.818 175.800 0.001 0.000 1.129 147 F CA -0.317 57.687 58.000 0.007 0.000 0.920 147 F CB 2.016 41.026 39.000 0.017 0.000 1.160 147 F HN 0.417 nan 8.300 nan 0.000 0.440 148 Q N 2.710 122.625 119.800 0.191 0.000 2.356 148 Q HA 0.302 4.642 4.340 0.000 0.000 0.270 148 Q C -1.648 174.453 176.000 0.168 0.000 1.058 148 Q CA -0.967 54.911 55.803 0.126 0.000 0.802 148 Q CB 1.925 30.698 28.738 0.059 0.000 1.303 148 Q HN 0.485 nan 8.270 nan 0.000 0.444 149 D N 4.216 124.729 120.400 0.189 0.000 2.343 149 D HA 0.195 4.835 4.640 0.000 0.000 0.255 149 D C 0.475 176.862 176.300 0.145 0.000 1.187 149 D CA 0.011 54.116 54.000 0.175 0.000 0.875 149 D CB 0.554 41.486 40.800 0.219 0.000 1.136 149 D HN 0.538 nan 8.370 nan 0.000 0.469 150 I N -0.885 119.765 120.570 0.133 0.000 3.060 150 I HA 0.181 4.351 4.170 0.000 0.000 0.285 150 I C 0.873 177.087 176.117 0.162 0.000 1.190 150 I CA -0.831 60.568 61.300 0.165 0.000 1.363 150 I CB 0.618 38.753 38.000 0.224 0.000 1.396 150 I HN 0.152 nan 8.210 nan 0.000 0.607 151 R N 2.568 123.179 120.500 0.185 0.000 2.504 151 R HA 0.125 4.465 4.340 0.000 0.000 0.291 151 R C 0.954 177.382 176.300 0.213 0.000 0.974 151 R CA 1.256 57.459 56.100 0.172 0.000 1.077 151 R CB -0.218 30.183 30.300 0.169 0.000 0.926 151 R HN 1.153 nan 8.270 nan 0.000 0.407 152 G N 2.944 111.831 108.800 0.145 0.000 2.143 152 G HA2 -0.217 3.743 3.960 0.000 0.000 0.249 152 G HA3 -0.217 3.743 3.960 0.000 0.000 0.249 152 G C -0.480 174.410 174.900 -0.018 0.000 0.981 152 G CA 0.186 45.363 45.100 0.128 0.000 0.665 152 G HN 0.523 nan 8.290 nan 0.000 0.528 153 K N -0.945 119.427 120.400 -0.046 0.000 2.371 153 K HA 0.642 4.962 4.320 0.000 0.000 0.251 153 K C 0.853 177.460 176.600 0.011 0.000 0.934 153 K CA -0.805 55.391 56.287 -0.151 0.000 0.798 153 K CB 1.650 34.035 32.500 -0.191 0.000 1.204 153 K HN 0.153 nan 8.250 nan 0.000 0.427 154 Y N 0.257 120.480 120.300 -0.128 0.000 2.796 154 Y HA -0.449 4.101 4.550 0.000 0.000 0.472 154 Y C 1.767 177.588 175.900 -0.132 0.000 1.126 154 Y CA 2.154 60.179 58.100 -0.124 0.000 2.780 154 Y CB -1.405 36.982 38.460 -0.121 0.000 1.152 154 Y HN 0.813 nan 8.280 nan 0.000 0.616 155 G N -0.005 108.803 108.800 0.014 0.000 2.920 155 G HA2 0.271 4.231 3.960 0.000 0.000 0.208 155 G HA3 0.271 4.231 3.960 0.000 0.000 0.208 155 G C -0.002 174.928 174.900 0.050 0.000 1.159 155 G CA 0.719 45.742 45.100 -0.127 0.000 0.784 155 G HN 0.274 nan 8.290 nan 0.000 0.535 156 S N -0.022 115.732 115.700 0.091 0.000 2.617 156 S HA 0.444 4.914 4.470 0.000 0.000 0.283 156 S C 0.102 174.737 174.600 0.058 0.000 1.189 156 S CA -0.574 57.685 58.200 0.099 0.000 1.036 156 S CB 1.739 65.008 63.200 0.115 0.000 1.014 156 S HN 0.414 nan 8.310 nan 0.000 0.522 157 Q N 0.207 120.042 119.800 0.058 0.000 2.171 157 Q HA 0.680 5.020 4.340 0.000 0.000 0.217 157 Q C 0.496 176.530 176.000 0.058 0.000 0.995 157 Q CA -0.457 55.373 55.803 0.045 0.000 0.979 157 Q CB 0.739 29.500 28.738 0.040 0.000 1.152 157 Q HN 0.984 nan 8.270 nan 0.000 0.525 158 G N 0.564 109.396 108.800 0.053 0.000 2.661 158 G HA2 -0.135 3.825 3.960 0.000 0.000 0.685 158 G HA3 -0.135 3.825 3.960 0.000 0.000 0.685 158 G C -1.573 173.374 174.900 0.079 0.000 1.298 158 G CA -0.871 44.269 45.100 0.067 0.000 0.855 158 G HN 0.544 nan 8.290 nan 0.000 0.560 159 D N -0.242 120.209 120.400 0.085 0.000 2.210 159 D HA 0.454 5.094 4.640 0.000 0.000 0.249 159 D C -0.224 176.165 176.300 0.149 0.000 1.078 159 D CA 0.153 54.210 54.000 0.094 0.000 0.875 159 D CB 1.389 42.227 40.800 0.063 0.000 1.175 159 D HN 0.481 nan 8.370 nan 0.000 0.440 160 Y N 1.756 122.074 120.300 0.029 0.000 2.327 160 Y HA 0.380 4.930 4.550 0.000 0.000 0.336 160 Y C -0.853 175.081 175.900 0.057 0.000 1.035 160 Y CA -0.473 57.650 58.100 0.039 0.000 1.165 160 Y CB 0.817 39.280 38.460 0.005 0.000 1.181 160 Y HN 0.049 nan 8.280 nan 0.000 0.494 161 V N 8.220 127.764 119.914 -0.616 0.000 2.444 161 V HA 0.172 4.292 4.120 0.000 0.000 0.294 161 V C -0.126 175.514 176.094 -0.757 0.000 1.022 161 V CA -1.037 60.966 62.300 -0.495 0.000 0.850 161 V CB 1.266 33.006 31.823 -0.139 0.000 0.992 161 V HN 0.891 nan 8.190 nan 0.000 0.426 162 M N 5.758 124.958 119.600 -0.667 0.000 2.338 162 M HA 0.126 4.606 4.480 0.000 0.000 0.360 162 M C 0.965 177.158 176.300 -0.178 0.000 1.547 162 M CA 0.996 56.017 55.300 -0.465 0.000 1.001 162 M CB -0.557 31.497 32.600 -0.909 0.000 2.008 162 M HN 1.161 nan 8.290 nan 0.000 0.464 163 T N 2.581 117.108 114.554 -0.045 0.000 3.361 163 T HA -0.257 4.093 4.350 0.000 0.000 0.417 163 T C 0.135 174.856 174.700 0.035 0.000 0.769 163 T CA 0.933 62.813 62.100 -0.366 0.000 2.085 163 T CB -1.595 67.035 68.868 -0.396 0.000 1.689 163 T HN 0.975 nan 8.240 nan 0.000 0.639 164 R N 1.822 122.433 120.500 0.184 0.000 2.485 164 R HA 0.141 4.481 4.340 0.000 0.000 0.304 164 R C -2.011 174.445 176.300 0.261 0.000 0.934 164 R CA -0.947 55.270 56.100 0.195 0.000 1.102 164 R CB 0.213 30.626 30.300 0.189 0.000 0.906 164 R HN 0.348 nan 8.270 nan 0.000 0.407 165 P HA 0.106 nan 4.420 nan 0.000 0.272 165 P C -2.453 174.914 177.300 0.112 0.000 1.230 165 P CA -1.143 62.020 63.100 0.107 0.000 0.788 165 P CB 0.314 32.009 31.700 -0.009 0.000 0.949 166 P HA 0.054 nan 4.420 nan 0.000 0.274 166 P C -0.422 176.933 177.300 0.091 0.000 1.256 166 P CA -0.097 63.063 63.100 0.099 0.000 0.795 166 P CB 0.151 31.903 31.700 0.086 0.000 1.038 167 H N -0.561 118.526 119.070 0.027 0.000 3.070 167 H HA 0.389 4.945 4.556 0.000 0.000 0.313 167 H C 0.764 176.097 175.328 0.008 0.000 0.997 167 H CA 2.267 58.324 56.048 0.015 0.000 1.438 167 H CB -0.598 29.169 29.762 0.009 0.000 1.455 167 H HN 0.771 nan 8.280 nan 0.000 0.575 168 G N 3.949 112.456 108.800 -0.489 0.000 2.398 168 G HA2 -0.064 3.896 3.960 0.000 0.000 0.251 168 G HA3 -0.064 3.896 3.960 0.000 0.000 0.251 168 G C -2.051 172.701 174.900 -0.246 0.000 1.277 168 G CA -0.346 44.556 45.100 -0.330 0.000 0.927 168 G HN 0.441 nan 8.290 nan 0.000 0.477 169 P HA 0.013 nan 4.420 nan 0.000 0.218 169 P C 1.764 179.009 177.300 -0.091 0.000 1.148 169 P CA 1.064 64.099 63.100 -0.109 0.000 0.822 169 P CB 0.106 31.754 31.700 -0.086 0.000 0.784 170 L N -2.042 119.123 121.223 -0.096 0.000 2.558 170 L HA 0.147 4.487 4.340 0.000 0.000 0.225 170 L C 0.849 177.694 176.870 -0.042 0.000 1.128 170 L CA 0.342 55.139 54.840 -0.071 0.000 0.868 170 L CB -0.410 41.574 42.059 -0.127 0.000 1.006 170 L HN 0.005 nan 8.230 nan 0.000 0.454 171 N N 0.114 118.777 118.700 -0.061 0.000 2.732 171 N HA 0.152 4.892 4.740 0.000 0.000 0.247 171 N C -2.394 173.082 175.510 -0.056 0.000 1.305 171 N CA -1.260 51.778 53.050 -0.020 0.000 0.762 171 N CB 1.317 39.821 38.487 0.028 0.000 1.361 171 N HN -0.229 nan 8.380 nan 0.000 0.545 172 P HA 0.079 nan 4.420 nan 0.000 0.255 172 P C 0.379 177.744 177.300 0.107 0.000 1.301 172 P CA 0.165 63.249 63.100 -0.026 0.000 0.817 172 P CB -0.178 31.509 31.700 -0.022 0.000 1.259 173 T N -2.470 112.162 114.554 0.130 0.000 2.770 173 T HA 0.230 4.580 4.350 0.000 0.000 0.281 173 T C 1.162 175.955 174.700 0.156 0.000 0.981 173 T CA -0.432 61.741 62.100 0.121 0.000 0.955 173 T CB 0.979 69.899 68.868 0.086 0.000 1.060 173 T HN -0.191 nan 8.240 nan 0.000 0.531 174 K N 0.544 120.983 120.400 0.064 0.000 2.444 174 K HA 0.135 4.455 4.320 0.000 0.000 0.193 174 K C 0.950 177.537 176.600 -0.021 0.000 1.024 174 K CA 0.280 56.558 56.287 -0.016 0.000 1.077 174 K CB -0.013 32.472 32.500 -0.025 0.000 0.833 174 K HN 0.905 nan 8.250 nan 0.000 0.517 175 T N -0.471 114.106 114.554 0.039 0.000 2.906 175 T HA 0.527 4.877 4.350 0.000 0.000 0.295 175 T C -0.819 173.934 174.700 0.088 0.000 1.061 175 T CA -0.885 61.245 62.100 0.050 0.000 1.000 175 T CB 2.645 71.548 68.868 0.058 0.000 1.103 175 T HN 0.041 nan 8.240 nan 0.000 0.486 176 D N -0.060 120.397 120.400 0.094 0.000 2.825 176 D HA 0.291 4.931 4.640 0.000 0.000 0.327 176 D C 0.523 176.899 176.300 0.128 0.000 1.277 176 D CA -0.673 53.398 54.000 0.119 0.000 0.950 176 D CB 0.132 41.007 40.800 0.124 0.000 1.438 176 D HN 0.362 nan 8.370 nan 0.000 0.526 177 E N -0.585 119.699 120.200 0.140 0.000 2.347 177 E HA -0.016 4.334 4.350 0.000 0.000 0.196 177 E C 1.386 178.047 176.600 0.100 0.000 1.008 177 E CA 0.971 57.453 56.400 0.137 0.000 0.852 177 E CB -0.298 29.483 29.700 0.135 0.000 0.783 177 E HN 0.537 nan 8.360 nan 0.000 0.505 178 T N 0.546 115.154 114.554 0.090 0.000 2.809 178 T HA -0.105 4.245 4.350 0.000 0.000 0.260 178 T C 2.133 176.929 174.700 0.160 0.000 1.039 178 T CA 1.919 64.083 62.100 0.106 0.000 1.141 178 T CB -0.278 68.641 68.868 0.086 0.000 0.869 178 T HN 0.401 nan 8.240 nan 0.000 0.437 179 T N 0.577 115.206 114.554 0.124 0.000 2.857 179 T HA -0.107 4.243 4.350 0.000 0.000 0.266 179 T C 1.571 176.392 174.700 0.202 0.000 1.048 179 T CA 1.144 63.324 62.100 0.133 0.000 1.139 179 T CB -0.462 68.425 68.868 0.033 0.000 0.874 179 T HN 0.099 nan 8.240 nan 0.000 0.455 180 D N 2.094 122.590 120.400 0.161 0.000 2.097 180 D HA 0.037 4.677 4.640 0.000 0.000 0.195 180 D C 2.462 178.863 176.300 0.169 0.000 0.989 180 D CA 1.572 55.665 54.000 0.155 0.000 0.827 180 D CB -0.690 40.192 40.800 0.137 0.000 0.966 180 D HN 0.575 nan 8.370 nan 0.000 0.456 181 A N -0.378 122.543 122.820 0.169 0.000 1.969 181 A HA -0.141 4.179 4.320 0.000 0.000 0.218 181 A C 2.158 179.845 177.584 0.172 0.000 1.169 181 A CA 1.108 53.229 52.037 0.140 0.000 0.635 181 A CB -1.084 17.986 19.000 0.117 0.000 0.810 181 A HN 0.384 nan 8.150 nan 0.000 0.445 182 W N 1.088 122.437 121.300 0.082 0.000 2.378 182 W HA -0.148 4.512 4.660 0.000 0.000 0.313 182 W C 1.421 178.015 176.519 0.126 0.000 1.197 182 W CA 1.800 59.226 57.345 0.133 0.000 1.304 182 W CB 0.056 29.595 29.460 0.132 0.000 1.148 182 W HN 0.359 nan 8.180 nan 0.000 0.494 183 D N -0.868 119.840 120.400 0.513 0.000 2.178 183 D HA -0.157 4.483 4.640 0.000 0.000 0.201 183 D C 2.092 178.512 176.300 0.199 0.000 0.980 183 D CA 1.950 56.180 54.000 0.383 0.000 0.842 183 D CB -0.741 40.229 40.800 0.284 0.000 0.948 183 D HN 0.156 nan 8.370 nan 0.000 0.472 184 T N 0.348 114.976 114.554 0.124 0.000 2.770 184 T HA -0.063 4.287 4.350 0.000 0.000 0.263 184 T C 2.283 177.000 174.700 0.029 0.000 1.039 184 T CA 0.622 62.765 62.100 0.071 0.000 1.142 184 T CB -0.264 68.626 68.868 0.037 0.000 0.868 184 T HN -0.032 nan 8.240 nan 0.000 0.435 185 V N 1.865 121.707 119.914 -0.120 0.000 2.407 185 V HA -0.185 3.935 4.120 0.000 0.000 0.248 185 V C 2.341 178.145 176.094 -0.485 0.000 1.055 185 V CA 1.945 64.055 62.300 -0.317 0.000 1.049 185 V CB -0.613 30.926 31.823 -0.474 0.000 0.662 185 V HN 0.468 nan 8.190 nan 0.000 0.455 186 D N -1.482 118.595 120.400 -0.537 0.000 2.144 186 D HA -0.232 4.408 4.640 0.000 0.000 0.200 186 D C 1.854 178.189 176.300 0.059 0.000 0.978 186 D CA 1.228 55.031 54.000 -0.328 0.000 0.833 186 D CB -0.177 40.573 40.800 -0.083 0.000 0.961 186 D HN 0.573 nan 8.370 nan 0.000 0.470 187 W N 0.481 121.747 121.300 -0.057 0.000 2.381 187 W HA -0.021 4.639 4.660 0.000 0.000 0.301 187 W C 1.788 178.300 176.519 -0.011 0.000 1.205 187 W CA 0.964 58.310 57.345 0.001 0.000 1.285 187 W CB -0.142 29.317 29.460 -0.001 0.000 1.133 187 W HN -0.019 nan 8.180 nan 0.000 0.521 188 L N 0.276 121.646 121.223 0.246 0.000 2.056 188 L HA -0.202 4.138 4.340 0.000 0.000 0.207 188 L C 2.423 179.214 176.870 -0.132 0.000 1.078 188 L CA 1.508 56.407 54.840 0.098 0.000 0.749 188 L CB -1.329 40.786 42.059 0.093 0.000 0.901 188 L HN 0.035 nan 8.230 nan 0.000 0.433 189 V N -4.306 115.501 119.914 -0.179 0.000 3.380 189 V HA -0.150 3.970 4.120 0.000 0.000 0.268 189 V C 1.413 177.260 176.094 -0.411 0.000 1.168 189 V CA 1.301 63.435 62.300 -0.277 0.000 1.156 189 V CB -0.929 30.709 31.823 -0.307 0.000 0.785 189 V HN 0.455 nan 8.190 nan 0.000 0.487 190 H N 0.161 119.071 119.070 -0.266 0.000 2.827 190 H HA 0.397 4.953 4.556 0.000 0.000 0.269 190 H C 0.919 176.000 175.328 -0.411 0.000 1.031 190 H CA 0.551 56.431 56.048 -0.280 0.000 1.202 190 H CB 0.344 29.963 29.762 -0.239 0.000 1.511 190 H HN 0.519 nan 8.280 nan 0.000 0.517 191 N N -0.300 118.101 118.700 -0.499 0.000 2.240 191 N HA 0.173 4.913 4.740 0.000 0.000 0.240 191 N C -1.231 174.028 175.510 -0.418 0.000 1.277 191 N CA 0.094 52.742 53.050 -0.670 0.000 0.873 191 N CB 2.278 39.784 38.487 -1.634 0.000 1.222 191 N HN -0.110 nan 8.380 nan 0.000 0.507 192 V N 1.753 121.516 119.914 -0.252 0.000 2.380 192 V HA 0.279 4.399 4.120 0.000 0.000 0.268 192 V C -1.889 174.140 176.094 -0.109 0.000 1.008 192 V CA -1.152 61.073 62.300 -0.125 0.000 0.823 192 V CB 1.637 33.420 31.823 -0.067 0.000 1.053 192 V HN -0.030 nan 8.190 nan 0.000 0.446 193 P HA -0.073 nan 4.420 nan 0.000 0.222 193 P C 1.052 178.315 177.300 -0.063 0.000 1.147 193 P CA 0.924 63.977 63.100 -0.078 0.000 0.790 193 P CB 0.460 32.124 31.700 -0.061 0.000 0.780 194 E N -0.510 119.661 120.200 -0.049 0.000 2.427 194 E HA -0.012 4.338 4.350 0.000 0.000 0.196 194 E C 0.944 177.511 176.600 -0.055 0.000 1.028 194 E CA 0.204 56.579 56.400 -0.041 0.000 0.864 194 E CB -0.355 29.333 29.700 -0.019 0.000 0.813 194 E HN 0.324 nan 8.360 nan 0.000 0.514 195 S N 0.771 116.429 115.700 -0.070 0.000 2.693 195 S HA 0.184 4.654 4.470 0.000 0.000 0.276 195 S C 0.731 175.270 174.600 -0.102 0.000 1.192 195 S CA -0.667 57.481 58.200 -0.087 0.000 0.994 195 S CB 0.870 64.016 63.200 -0.090 0.000 1.012 195 S HN 0.151 nan 8.310 nan 0.000 0.550 196 N N -0.541 118.091 118.700 -0.113 0.000 2.230 196 N HA 0.227 4.967 4.740 0.000 0.000 0.202 196 N C 1.101 176.539 175.510 -0.120 0.000 1.119 196 N CA 0.264 53.247 53.050 -0.112 0.000 0.851 196 N CB -0.318 38.101 38.487 -0.114 0.000 0.990 196 N HN 1.336 nan 8.380 nan 0.000 0.497 197 G N 0.475 109.196 108.800 -0.133 0.000 2.155 197 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 197 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 197 G C -0.487 174.336 174.900 -0.129 0.000 0.983 197 G CA -0.072 44.938 45.100 -0.150 0.000 0.676 197 G HN 0.405 nan 8.290 nan 0.000 0.528 198 R N -0.216 120.214 120.500 -0.118 0.000 2.393 198 R HA 0.642 4.982 4.340 0.000 0.000 0.310 198 R C -0.530 175.706 176.300 -0.105 0.000 0.968 198 R CA -0.648 55.388 56.100 -0.106 0.000 0.867 198 R CB 2.186 32.424 30.300 -0.103 0.000 1.124 198 R HN 0.145 nan 8.270 nan 0.000 0.450 199 V N 1.296 121.147 119.914 -0.106 0.000 2.555 199 V HA 0.660 4.780 4.120 0.000 0.000 0.302 199 V C 0.385 176.414 176.094 -0.108 0.000 1.038 199 V CA -0.814 61.429 62.300 -0.095 0.000 0.887 199 V CB 2.172 33.929 31.823 -0.110 0.000 0.991 199 V HN 0.926 nan 8.190 nan 0.000 0.434 200 G N 3.794 112.551 108.800 -0.071 0.000 2.513 200 G HA2 0.723 4.683 3.960 0.000 0.000 0.317 200 G HA3 0.723 4.683 3.960 0.000 0.000 0.317 200 G C -1.021 173.911 174.900 0.054 0.000 1.277 200 G CA -0.667 44.360 45.100 -0.122 0.000 0.955 200 G HN 0.521 nan 8.290 nan 0.000 0.484 201 M N 1.299 120.954 119.600 0.091 0.000 2.456 201 M HA 0.590 5.070 4.480 0.000 0.000 0.324 201 M C -0.179 176.244 176.300 0.205 0.000 1.124 201 M CA -0.538 54.822 55.300 0.100 0.000 0.959 201 M CB 2.693 35.314 32.600 0.034 0.000 1.692 201 M HN 0.591 nan 8.290 nan 0.000 0.444 202 T N 1.046 115.664 114.554 0.107 0.000 2.762 202 T HA 0.891 5.241 4.350 0.000 0.000 0.301 202 T C -1.355 173.384 174.700 0.064 0.000 1.299 202 T CA -0.022 62.142 62.100 0.107 0.000 1.005 202 T CB 2.125 71.086 68.868 0.155 0.000 1.377 202 T HN 1.018 nan 8.240 nan 0.000 0.504 203 G N 0.931 109.780 108.800 0.082 0.000 2.318 203 G HA2 0.414 4.374 3.960 0.000 0.000 0.302 203 G HA3 0.414 4.374 3.960 0.000 0.000 0.302 203 G C -1.170 173.810 174.900 0.133 0.000 1.633 203 G CA 0.058 45.233 45.100 0.124 0.000 0.965 203 G HN 0.800 nan 8.290 nan 0.000 0.698 204 S N 0.236 116.030 115.700 0.156 0.000 2.593 204 S HA 0.858 5.328 4.470 0.000 0.000 0.297 204 S C 1.073 175.822 174.600 0.249 0.000 1.112 204 S CA 1.324 59.601 58.200 0.129 0.000 1.043 204 S CB 1.424 64.632 63.200 0.013 0.000 1.054 204 S HN 2.499 nan 8.310 nan 0.000 0.516 205 S N 2.018 117.883 115.700 0.276 0.000 4.064 205 S HA -0.324 4.146 4.470 0.000 0.000 0.625 205 S C 0.854 175.721 174.600 0.445 0.000 2.010 205 S CA 1.444 59.905 58.200 0.435 0.000 4.186 205 S CB -1.947 61.593 63.200 0.567 0.000 0.211 205 S HN 1.011 nan 8.310 nan 0.000 0.605 206 Y N 2.202 122.755 120.300 0.423 0.000 2.274 206 Y HA -0.033 4.517 4.550 0.000 0.000 0.290 206 Y C 2.437 178.575 175.900 0.398 0.000 1.145 206 Y CA 2.214 60.541 58.100 0.379 0.000 1.203 206 Y CB -0.144 38.488 38.460 0.287 0.000 0.984 206 Y HN 0.590 nan 8.280 nan 0.000 0.533 207 E N -1.148 119.395 120.200 0.571 0.000 2.347 207 E HA -0.099 4.251 4.350 0.000 0.000 0.196 207 E C 2.204 178.992 176.600 0.314 0.000 1.008 207 E CA 0.612 57.263 56.400 0.419 0.000 0.852 207 E CB -0.133 29.788 29.700 0.369 0.000 0.783 207 E HN 0.601 nan 8.360 nan 0.000 0.505 208 G N 0.826 109.813 108.800 0.312 0.000 2.459 208 G HA2 -0.210 3.750 3.960 0.000 0.000 0.213 208 G HA3 -0.210 3.750 3.960 0.000 0.000 0.213 208 G C 1.294 176.344 174.900 0.249 0.000 1.155 208 G CA -0.077 45.161 45.100 0.231 0.000 0.811 208 G HN 0.268 nan 8.290 nan 0.000 0.534 209 F N 3.165 123.207 119.950 0.153 0.000 2.154 209 F HA -0.188 4.339 4.527 0.000 0.000 0.301 209 F C 2.826 178.702 175.800 0.125 0.000 1.087 209 F CA 2.382 60.441 58.000 0.097 0.000 1.274 209 F CB -0.441 38.506 39.000 -0.087 0.000 1.009 209 F HN 0.197 nan 8.300 nan 0.000 0.485 210 T N -2.397 112.242 114.554 0.141 0.000 2.951 210 T HA -0.076 4.274 4.350 0.000 0.000 0.268 210 T C 1.896 176.592 174.700 -0.006 0.000 1.073 210 T CA 1.240 63.365 62.100 0.042 0.000 1.134 210 T CB -1.069 67.946 68.868 0.245 0.000 0.884 210 T HN 0.175 nan 8.240 nan 0.000 0.479 211 V N 1.170 121.102 119.914 0.030 0.000 2.379 211 V HA -0.057 4.063 4.120 0.000 0.000 0.245 211 V C 2.891 178.971 176.094 -0.024 0.000 1.044 211 V CA 0.976 63.280 62.300 0.007 0.000 1.036 211 V CB -0.580 31.245 31.823 0.004 0.000 0.664 211 V HN 0.372 nan 8.190 nan 0.000 0.453 212 V N -0.467 119.436 119.914 -0.019 0.000 2.427 212 V HA -0.247 3.873 4.120 0.000 0.000 0.248 212 V C 2.514 178.595 176.094 -0.021 0.000 1.051 212 V CA 1.673 63.998 62.300 0.040 0.000 1.048 212 V CB -0.568 31.345 31.823 0.150 0.000 0.666 212 V HN 0.405 nan 8.190 nan 0.000 0.456 213 M N -0.197 119.298 119.600 -0.176 0.000 2.229 213 M HA -0.076 4.404 4.480 0.000 0.000 0.264 213 M C 2.342 178.625 176.300 -0.029 0.000 1.063 213 M CA 1.958 57.158 55.300 -0.167 0.000 1.114 213 M CB -1.292 31.100 32.600 -0.347 0.000 1.387 213 M HN 0.420 nan 8.290 nan 0.000 0.420 214 A N 0.072 122.889 122.820 -0.006 0.000 1.929 214 A HA -0.049 4.271 4.320 0.000 0.000 0.216 214 A C 2.180 179.807 177.584 0.073 0.000 1.176 214 A CA 0.897 52.967 52.037 0.055 0.000 0.628 214 A CB -0.773 18.255 19.000 0.046 0.000 0.816 214 A HN 0.465 nan 8.150 nan 0.000 0.444 215 L N -0.158 121.098 121.223 0.054 0.000 2.456 215 L HA -0.102 4.238 4.340 0.000 0.000 0.224 215 L C 2.131 179.058 176.870 0.095 0.000 1.148 215 L CA 0.286 55.170 54.840 0.073 0.000 0.825 215 L CB -0.418 41.689 42.059 0.081 0.000 0.937 215 L HN 0.397 nan 8.230 nan 0.000 0.450 216 L N -0.666 120.610 121.223 0.089 0.000 2.093 216 L HA -0.102 4.238 4.340 0.000 0.000 0.208 216 L C 0.432 177.358 176.870 0.093 0.000 1.085 216 L CA 0.998 55.891 54.840 0.089 0.000 0.755 216 L CB -0.124 41.980 42.059 0.075 0.000 0.904 216 L HN 0.242 nan 8.230 nan 0.000 0.435 217 D N -0.579 119.890 120.400 0.115 0.000 2.584 217 D HA 0.175 4.815 4.640 0.000 0.000 0.238 217 D C -2.614 173.834 176.300 0.246 0.000 1.302 217 D CA -1.380 52.706 54.000 0.143 0.000 0.884 217 D CB 1.108 41.968 40.800 0.100 0.000 1.456 217 D HN -0.142 nan 8.370 nan 0.000 0.528 218 P HA 0.135 nan 4.420 nan 0.000 0.279 218 P C 0.011 177.427 177.300 0.194 0.000 1.239 218 P CA -0.289 62.921 63.100 0.184 0.000 0.789 218 P CB 0.695 32.445 31.700 0.084 0.000 0.933 219 H N 5.039 124.051 119.070 -0.096 0.000 2.871 219 H HA 0.030 4.586 4.556 0.000 0.000 0.355 219 H C -1.186 174.031 175.328 -0.186 0.000 1.092 219 H CA -0.925 54.856 56.048 -0.446 0.000 1.420 219 H CB 0.758 30.041 29.762 -0.797 0.000 1.400 219 H HN 0.258 nan 8.280 nan 0.000 0.604 220 P HA -0.101 nan 4.420 nan 0.000 0.222 220 P C 0.801 178.096 177.300 -0.008 0.000 1.147 220 P CA 1.355 64.377 63.100 -0.130 0.000 0.790 220 P CB 0.024 31.615 31.700 -0.181 0.000 0.780 221 A N -0.736 122.209 122.820 0.207 0.000 2.169 221 A HA 0.033 4.353 4.320 0.000 0.000 0.212 221 A C 1.122 178.693 177.584 -0.021 0.000 1.153 221 A CA 0.032 52.120 52.037 0.085 0.000 0.756 221 A CB -0.945 18.080 19.000 0.042 0.000 0.813 221 A HN 0.183 nan 8.150 nan 0.000 0.471 222 L N 0.651 121.865 121.223 -0.015 0.000 2.363 222 L HA 0.257 4.598 4.340 0.000 0.000 0.286 222 L C 0.594 177.403 176.870 -0.101 0.000 1.106 222 L CA 0.133 54.931 54.840 -0.069 0.000 0.859 222 L CB 0.311 42.343 42.059 -0.045 0.000 1.223 222 L HN -0.003 nan 8.230 nan 0.000 0.446 223 K N 3.894 124.207 120.400 -0.146 0.000 2.367 223 K HA 0.331 4.651 4.320 0.000 0.000 0.194 223 K C -0.325 176.075 176.600 -0.332 0.000 1.027 223 K CA 0.229 56.404 56.287 -0.186 0.000 1.075 223 K CB 0.567 32.991 32.500 -0.127 0.000 0.845 223 K HN 0.399 nan 8.250 nan 0.000 0.529 224 V N -0.613 119.075 119.914 -0.377 0.000 3.177 224 V HA 0.653 4.773 4.120 0.000 0.000 0.287 224 V C -2.073 173.817 176.094 -0.339 0.000 1.465 224 V CA -0.753 61.254 62.300 -0.488 0.000 1.020 224 V CB 2.155 33.505 31.823 -0.787 0.000 1.152 224 V HN 0.145 nan 8.190 nan 0.000 0.448 225 A N 3.680 126.448 122.820 -0.088 0.000 2.498 225 A HA 1.058 5.378 4.320 0.000 0.000 0.298 225 A C -0.542 177.180 177.584 0.229 0.000 1.075 225 A CA -0.187 51.895 52.037 0.075 0.000 0.714 225 A CB 2.126 21.089 19.000 -0.062 0.000 1.299 225 A HN 2.361 nan 8.150 nan 0.000 0.407 226 A N 2.111 125.051 122.820 0.201 0.000 2.876 226 A HA 0.706 5.026 4.320 0.000 0.000 0.309 226 A C -3.172 174.337 177.584 -0.126 0.000 1.168 226 A CA -1.266 50.759 52.037 -0.020 0.000 0.762 226 A CB 0.580 19.508 19.000 -0.120 0.000 1.262 226 A HN 0.404 nan 8.150 nan 0.000 0.435 227 P HA 0.348 nan 4.420 nan 0.000 0.276 227 P C -0.513 176.767 177.300 -0.033 0.000 1.243 227 P CA 0.370 63.384 63.100 -0.144 0.000 0.768 227 P CB 0.801 32.321 31.700 -0.300 0.000 0.856 228 E N 1.383 121.600 120.200 0.029 0.000 2.171 228 E HA 0.272 4.622 4.350 0.000 0.000 0.271 228 E C -0.090 176.577 176.600 0.113 0.000 0.916 228 E CA -0.745 55.673 56.400 0.030 0.000 0.774 228 E CB 0.706 30.387 29.700 -0.032 0.000 1.128 228 E HN 0.236 nan 8.360 nan 0.000 0.403 229 S N 2.633 118.419 115.700 0.144 0.000 3.317 229 S HA -0.141 4.330 4.470 0.000 0.000 0.358 229 S C -2.162 172.614 174.600 0.294 0.000 0.945 229 S CA 0.188 58.523 58.200 0.224 0.000 1.279 229 S CB -1.496 61.818 63.200 0.189 0.000 0.905 229 S HN 0.454 nan 8.310 nan 0.000 0.507 230 P HA 0.242 nan 4.420 nan 0.000 0.277 230 P C -0.110 177.370 177.300 0.300 0.000 1.240 230 P CA -0.588 62.705 63.100 0.322 0.000 0.798 230 P CB 0.550 32.471 31.700 0.368 0.000 0.979 231 M N 2.325 122.091 119.600 0.276 0.000 2.156 231 M HA 0.101 4.581 4.480 0.000 0.000 0.345 231 M C 0.819 177.304 176.300 0.309 0.000 1.398 231 M CA -0.079 55.328 55.300 0.177 0.000 1.148 231 M CB 0.552 33.151 32.600 -0.002 0.000 1.663 231 M HN 0.128 nan 8.290 nan 0.000 0.464 232 V N 0.380 120.460 119.914 0.277 0.000 2.996 232 V HA 0.162 4.282 4.120 0.000 0.000 0.235 232 V C -0.031 176.234 176.094 0.284 0.000 1.205 232 V CA 0.734 63.227 62.300 0.321 0.000 1.225 232 V CB 0.683 32.705 31.823 0.332 0.000 0.995 232 V HN 0.755 nan 8.190 nan 0.000 0.484 233 D N -0.129 120.395 120.400 0.206 0.000 2.402 233 D HA 0.346 4.986 4.640 0.000 0.000 0.252 233 D C 0.863 177.152 176.300 -0.019 0.000 1.294 233 D CA 0.371 54.441 54.000 0.116 0.000 0.948 233 D CB 1.742 42.518 40.800 -0.040 0.000 1.202 233 D HN 0.175 nan 8.370 nan 0.000 0.561 234 G N 1.886 110.765 108.800 0.133 0.000 2.534 234 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 234 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 234 G C 1.058 175.965 174.900 0.011 0.000 1.128 234 G CA 0.112 45.217 45.100 0.009 0.000 0.784 234 G HN 0.537 nan 8.290 nan 0.000 0.542 235 W N 0.027 121.165 121.300 -0.270 0.000 2.630 235 W HA 0.243 4.903 4.660 0.000 0.000 0.275 235 W C 2.406 178.526 176.519 -0.665 0.000 1.192 235 W CA 0.254 57.311 57.345 -0.480 0.000 1.410 235 W CB 0.238 29.294 29.460 -0.673 0.000 1.075 235 W HN -0.038 nan 8.180 nan 0.000 0.581 236 M N -0.348 118.888 119.600 -0.605 0.000 2.099 236 M HA 0.105 4.585 4.480 0.000 0.000 0.262 236 M C 1.536 176.934 176.300 -1.504 0.000 1.067 236 M CA 1.996 56.510 55.300 -1.309 0.000 1.124 236 M CB -1.396 29.989 32.600 -2.024 0.000 1.353 236 M HN 0.257 nan 8.290 nan 0.000 0.410 237 G N -1.182 106.884 108.800 -1.222 0.000 5.371 237 G HA2 0.112 4.072 3.960 0.000 0.000 0.208 237 G HA3 0.112 4.072 3.960 0.000 0.000 0.208 237 G C -0.136 174.485 174.900 -0.465 0.000 0.815 237 G CA -0.371 44.144 45.100 -0.974 0.000 0.735 237 G HN 0.199 nan 8.290 nan 0.000 0.284 238 D N 0.165 120.410 120.400 -0.258 0.000 3.213 238 D HA 0.139 4.779 4.640 0.000 0.000 0.229 238 D C 0.956 177.154 176.300 -0.171 0.000 1.179 238 D CA -0.156 53.776 54.000 -0.113 0.000 1.218 238 D CB 0.588 41.318 40.800 -0.116 0.000 0.950 238 D HN -0.099 nan 8.370 nan 0.000 0.232 239 D N -0.467 119.639 120.400 -0.489 0.000 2.137 239 D HA -0.030 4.610 4.640 0.000 0.000 0.202 239 D C 2.183 178.099 176.300 -0.639 0.000 0.970 239 D CA 0.745 54.291 54.000 -0.758 0.000 0.837 239 D CB 0.127 40.131 40.800 -1.326 0.000 0.981 239 D HN 0.383 nan 8.370 nan 0.000 0.475 240 W N -0.173 121.071 121.300 -0.093 0.000 2.525 240 W HA 0.130 4.790 4.660 0.000 0.000 0.288 240 W C 0.531 176.696 176.519 -0.590 0.000 1.200 240 W CA -0.472 56.728 57.345 -0.241 0.000 1.349 240 W CB 0.075 29.596 29.460 0.102 0.000 1.102 240 W HN -0.226 nan 8.180 nan 0.000 0.558 241 F N -1.493 118.411 119.950 -0.078 0.000 2.643 241 F HA 0.429 4.956 4.527 0.000 0.000 0.314 241 F C -0.390 175.277 175.800 -0.221 0.000 1.096 241 F CA -1.467 56.384 58.000 -0.248 0.000 0.953 241 F CB 1.213 39.749 39.000 -0.774 0.000 1.345 241 F HN -0.295 nan 8.300 nan 0.000 0.468 242 H N 1.298 120.245 119.070 -0.204 0.000 2.991 242 H HA 0.220 4.776 4.556 0.000 0.000 0.304 242 H C -1.234 173.827 175.328 -0.445 0.000 1.040 242 H CA -0.838 55.013 56.048 -0.328 0.000 1.410 242 H CB 0.782 30.521 29.762 -0.037 0.000 1.529 242 H HN 0.672 nan 8.280 nan 0.000 0.509 243 Y N 1.653 121.568 120.300 -0.642 0.000 3.168 243 Y HA -0.296 4.254 4.550 0.000 0.000 0.207 243 Y C 1.540 176.878 175.900 -0.937 0.000 1.280 243 Y CA 1.440 59.076 58.100 -0.774 0.000 1.235 243 Y CB -1.829 36.311 38.460 -0.533 0.000 1.370 243 Y HN 1.120 nan 8.280 nan 0.000 0.537 244 G N -2.002 105.894 108.800 -1.507 0.000 2.253 244 G HA2 -0.074 3.886 3.960 0.000 0.000 0.251 244 G HA3 -0.074 3.886 3.960 0.000 0.000 0.251 244 G C 0.428 175.215 174.900 -0.187 0.000 0.998 244 G CA -0.048 44.321 45.100 -1.218 0.000 0.621 244 G HN 1.633 nan 8.290 nan 0.000 0.524 245 A N 0.389 123.164 122.820 -0.076 0.000 2.354 245 A HA 0.638 4.958 4.320 0.000 0.000 0.281 245 A C -0.142 177.628 177.584 0.311 0.000 1.174 245 A CA -0.278 51.838 52.037 0.131 0.000 0.828 245 A CB 0.182 19.142 19.000 -0.066 0.000 1.099 245 A HN 1.251 nan 8.150 nan 0.000 0.516 246 F N 3.102 123.134 119.950 0.137 0.000 2.467 246 F HA 0.376 4.903 4.527 0.000 0.000 0.362 246 F C 0.761 176.444 175.800 -0.194 0.000 1.090 246 F CA -0.301 57.599 58.000 -0.166 0.000 1.202 246 F CB 0.674 39.612 39.000 -0.104 0.000 1.113 246 F HN 0.571 nan 8.300 nan 0.000 0.541 247 R N 6.024 125.759 120.500 -1.275 0.000 2.220 247 R HA 0.117 4.457 4.340 0.000 0.000 0.340 247 R C 0.955 176.165 176.300 -1.817 0.000 1.076 247 R CA -0.213 55.066 56.100 -1.369 0.000 0.920 247 R CB 0.649 30.329 30.300 -1.033 0.000 1.062 247 R HN 0.779 nan 8.270 nan 0.000 0.469 248 Q N 1.385 120.326 119.800 -1.431 0.000 2.437 248 Q HA -0.071 4.269 4.340 0.000 0.000 0.210 248 Q C 1.680 176.772 176.000 -1.513 0.000 0.972 248 Q CA 1.066 56.078 55.803 -1.319 0.000 0.903 248 Q CB 0.272 28.345 28.738 -1.109 0.000 0.967 248 Q HN 0.852 nan 8.270 nan 0.000 0.486 249 G N 0.595 108.288 108.800 -1.845 0.000 2.679 249 G HA2 -0.019 3.941 3.960 0.000 0.000 0.212 249 G HA3 -0.019 3.941 3.960 0.000 0.000 0.212 249 G C 1.359 175.620 174.900 -1.066 0.000 1.137 249 G CA 0.573 44.510 45.100 -1.939 0.000 0.787 249 G HN 0.368 nan 8.290 nan 0.000 0.534 250 A N 0.658 122.865 122.820 -1.023 0.000 1.969 250 A HA 0.144 4.464 4.320 0.000 0.000 0.218 250 A C 1.963 178.939 177.584 -1.013 0.000 1.169 250 A CA 0.920 52.461 52.037 -0.827 0.000 0.635 250 A CB -0.419 18.163 19.000 -0.696 0.000 0.810 250 A HN 0.247 nan 8.150 nan 0.000 0.445 251 F N 0.951 120.528 119.950 -0.622 0.000 2.046 251 F HA -0.184 4.343 4.527 0.000 0.000 0.297 251 F C 2.134 177.773 175.800 -0.269 0.000 1.123 251 F CA 1.470 59.236 58.000 -0.390 0.000 1.199 251 F CB -0.987 37.962 39.000 -0.084 0.000 0.972 251 F HN 0.210 nan 8.300 nan 0.000 0.474 252 D N -1.244 119.133 120.400 -0.038 0.000 2.149 252 D HA -0.252 4.388 4.640 0.000 0.000 0.198 252 D C 2.114 178.412 176.300 -0.003 0.000 0.990 252 D CA 1.267 55.255 54.000 -0.021 0.000 0.839 252 D CB -0.720 40.044 40.800 -0.060 0.000 0.948 252 D HN 0.379 nan 8.370 nan 0.000 0.460 253 Y N 0.149 120.344 120.300 -0.176 0.000 2.242 253 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 253 Y C 2.125 178.116 175.900 0.152 0.000 1.137 253 Y CA 1.346 59.431 58.100 -0.025 0.000 1.181 253 Y CB -0.346 38.103 38.460 -0.018 0.000 0.989 253 Y HN -0.077 nan 8.280 nan 0.000 0.527 254 F N -1.515 118.524 119.950 0.149 0.000 2.084 254 F HA -0.251 4.276 4.527 0.000 0.000 0.296 254 F C 2.254 178.026 175.800 -0.046 0.000 1.111 254 F CA 0.905 58.941 58.000 0.060 0.000 1.224 254 F CB -0.615 38.429 39.000 0.073 0.000 0.991 254 F HN -0.176 nan 8.300 nan 0.000 0.471 255 V N -0.974 118.980 119.914 0.067 0.000 2.626 255 V HA -0.257 3.863 4.120 0.000 0.000 0.252 255 V C 2.319 178.446 176.094 0.055 0.000 1.067 255 V CA 1.929 64.227 62.300 -0.002 0.000 1.081 255 V CB -0.496 31.283 31.823 -0.074 0.000 0.686 255 V HN 0.347 nan 8.190 nan 0.000 0.468 256 S N -0.972 114.732 115.700 0.007 0.000 2.414 256 S HA -0.127 4.343 4.470 0.000 0.000 0.227 256 S C 1.882 176.444 174.600 -0.064 0.000 1.022 256 S CA 0.965 59.152 58.200 -0.022 0.000 0.958 256 S CB -0.021 63.161 63.200 -0.030 0.000 0.797 256 S HN 0.588 nan 8.310 nan 0.000 0.493 257 Q N -0.474 119.251 119.800 -0.124 0.000 2.378 257 Q HA 0.339 4.679 4.340 0.000 0.000 0.216 257 Q C 0.847 176.795 176.000 -0.087 0.000 0.892 257 Q CA 0.371 56.066 55.803 -0.180 0.000 0.931 257 Q CB 0.382 28.898 28.738 -0.369 0.000 1.086 257 Q HN 0.564 nan 8.270 nan 0.000 0.528 258 M N -0.733 118.923 119.600 0.094 0.000 2.502 258 M HA 0.144 4.624 4.480 0.000 0.000 0.351 258 M C 0.883 177.317 176.300 0.224 0.000 1.118 258 M CA 0.089 55.510 55.300 0.201 0.000 0.952 258 M CB 0.895 33.709 32.600 0.357 0.000 1.424 258 M HN -0.148 nan 8.290 nan 0.000 0.529 259 T N 1.042 115.705 114.554 0.182 0.000 2.896 259 T HA 0.249 4.599 4.350 0.000 0.000 0.263 259 T C 0.698 175.391 174.700 -0.012 0.000 1.050 259 T CA 0.963 63.144 62.100 0.136 0.000 1.140 259 T CB 0.216 69.161 68.868 0.128 0.000 0.877 259 T HN 0.481 nan 8.240 nan 0.000 0.457 260 A N -0.260 122.523 122.820 -0.063 0.000 2.602 260 A HA 0.683 5.003 4.320 0.000 0.000 0.290 260 A C 0.804 178.263 177.584 -0.208 0.000 1.114 260 A CA -0.665 51.301 52.037 -0.120 0.000 0.683 260 A CB 0.852 19.781 19.000 -0.119 0.000 1.281 260 A HN 0.057 nan 8.150 nan 0.000 0.416 261 R N 0.089 120.464 120.500 -0.207 0.000 2.094 261 R HA -0.120 4.220 4.340 0.000 0.000 0.239 261 R C 1.344 177.326 176.300 -0.529 0.000 1.137 261 R CA 2.486 58.423 56.100 -0.272 0.000 0.943 261 R CB -0.500 29.693 30.300 -0.178 0.000 0.850 261 R HN 0.899 nan 8.270 nan 0.000 0.433 262 G N -1.073 107.403 108.800 -0.540 0.000 2.928 262 G HA2 0.323 4.283 3.960 0.000 0.000 0.163 262 G HA3 0.323 4.283 3.960 0.000 0.000 0.163 262 G C -0.347 174.085 174.900 -0.780 0.000 1.573 262 G CA -0.148 44.395 45.100 -0.930 0.000 1.084 262 G HN 0.454 nan 8.290 nan 0.000 0.569 263 G N -1.071 107.529 108.800 -0.333 0.000 2.442 263 G HA2 0.515 4.475 3.960 0.000 0.000 0.249 263 G HA3 0.515 4.475 3.960 0.000 0.000 0.249 263 G C 0.087 174.944 174.900 -0.072 0.000 1.263 263 G CA 0.574 45.634 45.100 -0.066 0.000 0.846 263 G HN 0.834 nan 8.290 nan 0.000 0.555 264 G N 0.420 109.202 108.800 -0.031 0.000 2.816 264 G HA2 0.581 4.541 3.960 0.000 0.000 0.288 264 G HA3 0.581 4.541 3.960 0.000 0.000 0.288 264 G C -0.684 174.220 174.900 0.006 0.000 1.334 264 G CA -0.813 44.278 45.100 -0.015 0.000 0.978 264 G HN 0.578 nan 8.290 nan 0.000 0.493 265 N N -0.668 118.039 118.700 0.012 0.000 2.525 265 N HA 0.402 5.142 4.740 0.000 0.000 0.288 265 N C -1.070 174.445 175.510 0.009 0.000 1.242 265 N CA -0.462 52.594 53.050 0.010 0.000 0.905 265 N CB 1.874 40.364 38.487 0.005 0.000 1.258 265 N HN 0.366 nan 8.380 nan 0.000 0.551 266 D N 0.168 120.571 120.400 0.005 0.000 2.423 266 D HA 0.386 5.026 4.640 0.000 0.000 0.255 266 D C 0.082 176.380 176.300 -0.003 0.000 1.174 266 D CA -0.183 53.820 54.000 0.005 0.000 1.008 266 D CB 1.008 41.812 40.800 0.007 0.000 1.101 266 D HN 0.284 nan 8.370 nan 0.000 0.516 267 I N 2.128 122.700 120.570 0.003 0.000 2.396 267 I HA 0.154 4.324 4.170 0.000 0.000 0.289 267 I C -1.896 174.206 176.117 -0.025 0.000 1.056 267 I CA -1.599 59.686 61.300 -0.026 0.000 1.365 267 I CB 0.653 38.642 38.000 -0.018 0.000 1.407 267 I HN 0.054 nan 8.210 nan 0.000 0.509 268 P HA 0.123 nan 4.420 nan 0.000 0.265 268 P C -0.718 176.549 177.300 -0.056 0.000 1.193 268 P CA -0.105 62.966 63.100 -0.048 0.000 0.765 268 P CB 0.459 32.123 31.700 -0.060 0.000 0.823 269 R N 2.408 122.890 120.500 -0.030 0.000 2.664 269 R HA 0.338 4.678 4.340 0.000 0.000 0.286 269 R C 1.077 177.362 176.300 -0.026 0.000 0.967 269 R CA -0.893 55.196 56.100 -0.018 0.000 0.933 269 R CB 1.465 31.772 30.300 0.012 0.000 1.146 269 R HN 0.346 nan 8.270 nan 0.000 0.468 270 R N 0.625 121.110 120.500 -0.025 0.000 2.055 270 R HA 0.054 4.394 4.340 0.000 0.000 0.226 270 R C 0.118 176.416 176.300 -0.004 0.000 1.135 270 R CA 1.554 57.642 56.100 -0.021 0.000 0.959 270 R CB 0.018 30.304 30.300 -0.023 0.000 0.854 270 R HN 0.623 nan 8.270 nan 0.000 0.431 271 D N -1.606 118.801 120.400 0.012 0.000 2.299 271 D HA 0.290 4.930 4.640 0.000 0.000 0.243 271 D C -0.019 176.289 176.300 0.013 0.000 0.982 271 D CA 0.216 54.228 54.000 0.019 0.000 0.924 271 D CB 2.164 42.990 40.800 0.043 0.000 1.238 271 D HN 0.258 nan 8.370 nan 0.000 0.484 272 A N 2.019 124.842 122.820 0.005 0.000 2.066 272 A HA -0.055 4.265 4.320 0.000 0.000 0.218 272 A C 0.749 178.319 177.584 -0.024 0.000 1.157 272 A CA 0.850 52.878 52.037 -0.015 0.000 0.670 272 A CB 0.058 19.049 19.000 -0.016 0.000 0.804 272 A HN 0.497 nan 8.150 nan 0.000 0.453 273 D N -0.707 119.701 120.400 0.013 0.000 2.280 273 D HA 0.295 4.935 4.640 0.000 0.000 0.236 273 D C -0.144 176.205 176.300 0.081 0.000 1.082 273 D CA -0.517 53.503 54.000 0.034 0.000 0.834 273 D CB 0.933 41.779 40.800 0.077 0.000 1.100 273 D HN -0.015 nan 8.370 nan 0.000 0.486 274 D N 2.332 122.752 120.400 0.033 0.000 2.224 274 D HA -0.163 4.477 4.640 0.000 0.000 0.205 274 D C 1.342 177.785 176.300 0.239 0.000 0.965 274 D CA 0.621 54.699 54.000 0.129 0.000 0.852 274 D CB -0.098 40.696 40.800 -0.010 0.000 0.947 274 D HN 0.572 nan 8.370 nan 0.000 0.494 275 Y N 1.548 121.907 120.300 0.098 0.000 2.151 275 Y HA -0.276 4.274 4.550 0.000 0.000 0.284 275 Y C 2.246 178.336 175.900 0.318 0.000 1.166 275 Y CA 1.909 60.145 58.100 0.227 0.000 1.163 275 Y CB -0.299 38.288 38.460 0.212 0.000 0.974 275 Y HN -0.097 nan 8.280 nan 0.000 0.511 276 T N 0.467 115.255 114.554 0.390 0.000 2.812 276 T HA -0.139 4.211 4.350 0.000 0.000 0.264 276 T C 1.646 176.461 174.700 0.192 0.000 1.042 276 T CA 1.242 63.502 62.100 0.266 0.000 1.140 276 T CB -0.280 68.706 68.868 0.198 0.000 0.870 276 T HN 0.373 nan 8.240 nan 0.000 0.445 277 N N 0.958 119.765 118.700 0.178 0.000 2.069 277 N HA -0.038 4.702 4.740 0.000 0.000 0.191 277 N C 1.598 177.169 175.510 0.101 0.000 1.031 277 N CA 1.272 54.391 53.050 0.115 0.000 0.852 277 N CB -0.515 38.020 38.487 0.081 0.000 1.018 277 N HN 0.352 nan 8.380 nan 0.000 0.423 278 F N 0.644 120.653 119.950 0.099 0.000 2.206 278 F HA -0.014 4.513 4.527 0.000 0.000 0.298 278 F C 2.169 178.117 175.800 0.246 0.000 1.090 278 F CA 0.177 58.244 58.000 0.112 0.000 1.323 278 F CB -0.397 38.538 39.000 -0.107 0.000 1.028 278 F HN -0.021 nan 8.300 nan 0.000 0.492 279 L N 0.663 122.124 121.223 0.397 0.000 2.017 279 L HA -0.182 4.158 4.340 0.000 0.000 0.208 279 L C 2.115 179.005 176.870 0.034 0.000 1.073 279 L CA 1.895 56.793 54.840 0.098 0.000 0.745 279 L CB -0.733 41.275 42.059 -0.085 0.000 0.894 279 L HN -0.008 nan 8.230 nan 0.000 0.432 280 K N -0.962 119.481 120.400 0.070 0.000 2.148 280 K HA -0.050 4.270 4.320 0.000 0.000 0.204 280 K C 1.999 178.625 176.600 0.043 0.000 1.050 280 K CA 1.092 57.401 56.287 0.037 0.000 0.942 280 K CB -0.247 32.277 32.500 0.041 0.000 0.724 280 K HN 0.437 nan 8.250 nan 0.000 0.446 281 A N 0.688 123.564 122.820 0.092 0.000 1.968 281 A HA 0.089 4.409 4.320 0.000 0.000 0.217 281 A C 1.547 179.198 177.584 0.111 0.000 1.169 281 A CA 1.804 53.903 52.037 0.103 0.000 0.638 281 A CB -0.414 18.702 19.000 0.193 0.000 0.812 281 A HN 0.452 nan 8.150 nan 0.000 0.446 282 G N -1.173 107.692 108.800 0.108 0.000 3.355 282 G HA2 -0.156 3.804 3.960 0.000 0.000 0.247 282 G HA3 -0.156 3.804 3.960 0.000 0.000 0.247 282 G C 0.676 175.673 174.900 0.162 0.000 1.818 282 G CA 0.674 45.801 45.100 0.045 0.000 1.309 282 G HN 1.688 nan 8.290 nan 0.000 0.546 283 S N 1.234 117.111 115.700 0.295 0.000 2.693 283 S HA 0.769 5.239 4.470 0.000 0.000 0.276 283 S C 1.578 176.466 174.600 0.481 0.000 1.192 283 S CA 0.577 59.035 58.200 0.429 0.000 0.994 283 S CB 1.687 65.140 63.200 0.422 0.000 1.012 283 S HN 2.086 nan 8.310 nan 0.000 0.550 284 A N 1.076 124.255 122.820 0.597 0.000 1.930 284 A HA 0.198 4.518 4.320 0.000 0.000 0.217 284 A C 2.108 180.062 177.584 0.616 0.000 1.175 284 A CA 1.441 53.934 52.037 0.759 0.000 0.627 284 A CB -1.698 17.866 19.000 0.940 0.000 0.815 284 A HN 1.114 nan 8.150 nan 0.000 0.443 285 G N -1.058 108.107 108.800 0.607 0.000 2.422 285 G HA2 -0.136 3.824 3.960 0.000 0.000 0.218 285 G HA3 -0.136 3.824 3.960 0.000 0.000 0.218 285 G C 1.865 176.925 174.900 0.267 0.000 1.140 285 G CA 1.351 46.765 45.100 0.524 0.000 0.775 285 G HN 0.533 nan 8.290 nan 0.000 0.545 286 S N -0.396 115.457 115.700 0.255 0.000 2.368 286 S HA -0.076 4.394 4.470 0.000 0.000 0.224 286 S C 2.017 176.641 174.600 0.040 0.000 1.029 286 S CA 1.162 59.446 58.200 0.140 0.000 0.988 286 S CB -0.378 62.917 63.200 0.158 0.000 0.838 286 S HN 0.367 nan 8.310 nan 0.000 0.462 287 F N 2.158 122.055 119.950 -0.088 0.000 2.186 287 F HA 0.065 4.592 4.527 0.000 0.000 0.299 287 F C 2.238 177.745 175.800 -0.488 0.000 1.090 287 F CA 1.187 59.020 58.000 -0.278 0.000 1.307 287 F CB -0.677 38.147 39.000 -0.294 0.000 1.019 287 F HN 0.271 nan 8.300 nan 0.000 0.489 288 A N -0.537 122.007 122.820 -0.460 0.000 1.877 288 A HA -0.163 4.157 4.320 0.000 0.000 0.216 288 A C 2.185 179.505 177.584 -0.439 0.000 1.186 288 A CA 2.228 53.787 52.037 -0.797 0.000 0.620 288 A CB -1.423 16.980 19.000 -0.996 0.000 0.822 288 A HN 0.408 nan 8.150 nan 0.000 0.443 289 T N 0.009 114.437 114.554 -0.210 0.000 2.788 289 T HA -0.162 4.188 4.350 0.000 0.000 0.268 289 T C 2.004 176.585 174.700 -0.198 0.000 1.044 289 T CA 1.744 63.767 62.100 -0.128 0.000 1.139 289 T CB -0.240 68.600 68.868 -0.046 0.000 0.867 289 T HN 0.615 nan 8.240 nan 0.000 0.454 290 Q N 0.214 119.843 119.800 -0.284 0.000 2.224 290 Q HA 0.122 4.462 4.340 0.000 0.000 0.203 290 Q C 2.286 178.044 176.000 -0.404 0.000 0.970 290 Q CA 1.009 56.618 55.803 -0.324 0.000 0.865 290 Q CB -0.082 28.435 28.738 -0.368 0.000 0.922 290 Q HN 0.501 nan 8.270 nan 0.000 0.445 291 A N -0.283 122.217 122.820 -0.534 0.000 2.251 291 A HA 0.320 4.640 4.320 0.000 0.000 0.209 291 A C 1.407 178.825 177.584 -0.276 0.000 1.187 291 A CA 0.662 52.411 52.037 -0.480 0.000 0.823 291 A CB -0.128 18.486 19.000 -0.644 0.000 0.846 291 A HN 0.408 nan 8.150 nan 0.000 0.486 292 G N -0.932 107.742 108.800 -0.210 0.000 2.143 292 G HA2 -0.257 3.703 3.960 0.000 0.000 0.248 292 G HA3 -0.257 3.703 3.960 0.000 0.000 0.248 292 G C 0.687 175.600 174.900 0.021 0.000 0.991 292 G CA 0.475 45.532 45.100 -0.072 0.000 0.689 292 G HN 0.443 nan 8.290 nan 0.000 0.522 293 L N 0.031 121.188 121.223 -0.110 0.000 2.465 293 L HA 0.074 4.414 4.340 0.000 0.000 0.224 293 L C 2.108 179.139 176.870 0.268 0.000 1.145 293 L CA 0.909 55.713 54.840 -0.060 0.000 0.834 293 L CB -0.138 41.630 42.059 -0.483 0.000 0.944 293 L HN 0.081 nan 8.230 nan 0.000 0.451 294 D N 0.206 120.725 120.400 0.198 0.000 2.354 294 D HA -0.209 4.431 4.640 0.000 0.000 0.216 294 D C 1.991 178.390 176.300 0.165 0.000 0.970 294 D CA 0.888 55.017 54.000 0.215 0.000 0.905 294 D CB 0.047 40.891 40.800 0.072 0.000 0.903 294 D HN 0.601 nan 8.370 nan 0.000 0.508 295 Q N -0.733 119.187 119.800 0.200 0.000 2.319 295 Q HA -0.041 4.299 4.340 0.000 0.000 0.202 295 Q C -0.139 175.900 176.000 0.066 0.000 0.896 295 Q CA -0.051 55.806 55.803 0.091 0.000 0.942 295 Q CB -0.087 28.664 28.738 0.021 0.000 1.083 295 Q HN 0.256 nan 8.270 nan 0.000 0.510 296 Y N 1.956 122.306 120.300 0.084 0.000 2.425 296 Y HA 0.216 4.766 4.550 0.000 0.000 0.347 296 Y C -1.549 174.402 175.900 0.084 0.000 0.976 296 Y CA -2.449 55.709 58.100 0.096 0.000 1.190 296 Y CB 1.281 39.821 38.460 0.134 0.000 1.136 296 Y HN 0.066 nan 8.280 nan 0.000 0.517 297 P HA -0.279 nan 4.420 nan 0.000 0.216 297 P C 1.552 178.898 177.300 0.077 0.000 1.154 297 P CA 1.483 64.624 63.100 0.069 0.000 0.865 297 P CB 0.042 31.771 31.700 0.049 0.000 0.789 298 F N -1.091 118.848 119.950 -0.019 0.000 2.134 298 F HA -0.134 4.393 4.527 0.000 0.000 0.299 298 F C 2.278 178.002 175.800 -0.126 0.000 1.097 298 F CA 1.212 59.150 58.000 -0.104 0.000 1.264 298 F CB -0.809 38.069 39.000 -0.203 0.000 1.001 298 F HN 0.001 nan 8.300 nan 0.000 0.479 299 W N 1.288 122.427 121.300 -0.269 0.000 2.363 299 W HA -0.225 4.435 4.660 0.000 0.000 0.296 299 W C 1.996 178.380 176.519 -0.224 0.000 1.212 299 W CA 1.564 58.745 57.345 -0.274 0.000 1.260 299 W CB -0.387 29.029 29.460 -0.073 0.000 1.131 299 W HN 0.167 nan 8.180 nan 0.000 0.530 300 Q N 0.256 119.859 119.800 -0.330 0.000 2.061 300 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 300 Q C 2.375 178.085 176.000 -0.483 0.000 0.984 300 Q CA 2.148 57.688 55.803 -0.440 0.000 0.846 300 Q CB -0.395 28.207 28.738 -0.227 0.000 0.902 300 Q HN 0.302 nan 8.270 nan 0.000 0.421 301 R N 0.238 120.466 120.500 -0.453 0.000 2.070 301 R HA -0.136 4.204 4.340 0.000 0.000 0.233 301 R C 2.335 178.265 176.300 -0.616 0.000 1.137 301 R CA 1.654 57.409 56.100 -0.575 0.000 0.945 301 R CB -0.479 29.465 30.300 -0.594 0.000 0.845 301 R HN 0.345 nan 8.270 nan 0.000 0.430 302 M N 0.367 119.618 119.600 -0.580 0.000 2.117 302 M HA -0.207 4.273 4.480 0.000 0.000 0.262 302 M C 2.426 178.588 176.300 -0.231 0.000 1.065 302 M CA 1.718 56.909 55.300 -0.181 0.000 1.114 302 M CB -0.337 32.212 32.600 -0.085 0.000 1.361 302 M HN 0.236 nan 8.290 nan 0.000 0.408 303 H N 0.060 118.566 119.070 -0.941 0.000 2.421 303 H HA -0.075 4.481 4.556 0.000 0.000 0.298 303 H C 1.560 176.650 175.328 -0.396 0.000 1.087 303 H CA 1.828 57.256 56.048 -1.033 0.000 1.330 303 H CB 0.099 28.997 29.762 -1.441 0.000 1.388 303 H HN 0.539 nan 8.280 nan 0.000 0.526 304 A N 0.221 122.803 122.820 -0.397 0.000 2.169 304 A HA -0.024 4.296 4.320 0.000 0.000 0.212 304 A C 0.362 177.593 177.584 -0.589 0.000 1.153 304 A CA 0.275 52.026 52.037 -0.478 0.000 0.756 304 A CB -0.044 18.597 19.000 -0.598 0.000 0.813 304 A HN 0.461 nan 8.150 nan 0.000 0.471 305 H N -0.520 118.498 119.070 -0.086 0.000 2.386 305 H HA 0.188 4.744 4.556 0.000 0.000 0.232 305 H C -2.080 173.511 175.328 0.440 0.000 1.416 305 H CA -1.464 54.639 56.048 0.092 0.000 1.285 305 H CB 0.518 30.220 29.762 -0.100 0.000 1.625 305 H HN 0.350 nan 8.280 nan 0.000 0.521 306 P HA -0.034 nan 4.420 nan 0.000 0.221 306 P C 0.786 178.338 177.300 0.420 0.000 1.150 306 P CA 0.564 63.922 63.100 0.430 0.000 0.800 306 P CB 0.704 32.538 31.700 0.224 0.000 0.787 307 A N -0.586 122.458 122.820 0.373 0.000 2.248 307 A HA 0.300 4.620 4.320 0.000 0.000 0.316 307 A C -0.491 176.949 177.584 -0.240 0.000 1.101 307 A CA -0.545 51.627 52.037 0.225 0.000 0.875 307 A CB -0.193 18.997 19.000 0.317 0.000 1.207 307 A HN 0.015 nan 8.150 nan 0.000 0.504 308 Y N 1.940 121.634 120.300 -1.010 0.000 2.971 308 Y HA 0.180 4.730 4.550 0.000 0.000 0.384 308 Y C 0.296 175.972 175.900 -0.373 0.000 1.166 308 Y CA -1.171 56.205 58.100 -1.207 0.000 1.973 308 Y CB -1.057 36.401 38.460 -1.670 0.000 2.082 308 Y HN 0.762 nan 8.280 nan 0.000 0.420 309 D N -0.342 119.932 120.400 -0.209 0.000 2.425 309 D HA 0.171 4.811 4.640 0.000 0.000 0.274 309 D C 1.629 177.774 176.300 -0.259 0.000 1.242 309 D CA 0.190 54.098 54.000 -0.153 0.000 1.060 309 D CB 0.018 40.821 40.800 0.005 0.000 1.112 309 D HN 0.187 nan 8.370 nan 0.000 0.561 310 A N -0.841 121.868 122.820 -0.186 0.000 1.948 310 A HA -0.176 4.144 4.320 0.000 0.000 0.220 310 A C 2.029 179.455 177.584 -0.263 0.000 1.177 310 A CA 1.624 53.541 52.037 -0.200 0.000 0.636 310 A CB -1.284 17.640 19.000 -0.127 0.000 0.815 310 A HN 0.551 nan 8.150 nan 0.000 0.449 311 F N -1.082 118.539 119.950 -0.548 0.000 2.126 311 F HA -0.183 4.344 4.527 0.000 0.000 0.299 311 F C 1.887 177.289 175.800 -0.663 0.000 1.096 311 F CA 1.832 59.384 58.000 -0.746 0.000 1.255 311 F CB -0.358 37.841 39.000 -1.335 0.000 0.997 311 F HN 0.423 nan 8.300 nan 0.000 0.479 312 W N 0.168 121.278 121.300 -0.317 0.000 2.525 312 W HA 0.006 4.666 4.660 0.000 0.000 0.288 312 W C 2.510 178.760 176.519 -0.449 0.000 1.200 312 W CA 0.560 57.710 57.345 -0.324 0.000 1.349 312 W CB -0.712 28.610 29.460 -0.231 0.000 1.102 312 W HN -0.079 nan 8.180 nan 0.000 0.558 313 Q N -0.014 119.477 119.800 -0.515 0.000 2.135 313 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 313 Q C 2.358 178.256 176.000 -0.170 0.000 0.981 313 Q CA 1.500 57.036 55.803 -0.446 0.000 0.856 313 Q CB -0.775 27.701 28.738 -0.437 0.000 0.902 313 Q HN 0.408 nan 8.270 nan 0.000 0.425 314 G N 0.136 108.820 108.800 -0.193 0.000 2.679 314 G HA2 -0.176 3.784 3.960 0.000 0.000 0.212 314 G HA3 -0.176 3.784 3.960 0.000 0.000 0.212 314 G C 0.907 175.755 174.900 -0.085 0.000 1.137 314 G CA 0.116 45.135 45.100 -0.135 0.000 0.787 314 G HN 0.299 nan 8.290 nan 0.000 0.534 315 Q N -0.483 119.286 119.800 -0.052 0.000 2.171 315 Q HA 0.351 4.691 4.340 0.000 0.000 0.218 315 Q C 0.757 176.870 176.000 0.188 0.000 0.822 315 Q CA -0.339 55.504 55.803 0.066 0.000 0.987 315 Q CB 1.253 30.022 28.738 0.051 0.000 1.144 315 Q HN 0.304 nan 8.270 nan 0.000 0.494 316 A N 1.534 124.455 122.820 0.168 0.000 2.666 316 A HA 0.168 4.488 4.320 0.000 0.000 0.301 316 A C 1.017 178.720 177.584 0.198 0.000 1.470 316 A CA -0.063 52.107 52.037 0.221 0.000 1.159 316 A CB -0.394 18.746 19.000 0.234 0.000 1.116 316 A HN 0.395 nan 8.150 nan 0.000 0.548 317 L N 0.971 122.328 121.223 0.223 0.000 2.191 317 L HA -0.173 4.167 4.340 0.000 0.000 0.212 317 L C 2.098 179.079 176.870 0.185 0.000 1.103 317 L CA 1.303 56.263 54.840 0.201 0.000 0.769 317 L CB -0.532 41.664 42.059 0.228 0.000 0.908 317 L HN 0.775 nan 8.230 nan 0.000 0.438 318 D N 0.023 120.541 120.400 0.197 0.000 2.117 318 D HA -0.197 4.443 4.640 0.000 0.000 0.197 318 D C 1.844 178.218 176.300 0.123 0.000 0.987 318 D CA 1.131 55.220 54.000 0.149 0.000 0.829 318 D CB -0.282 40.623 40.800 0.176 0.000 0.961 318 D HN 0.158 nan 8.370 nan 0.000 0.460 319 K N 0.304 120.790 120.400 0.144 0.000 2.025 319 K HA -0.000 4.320 4.320 0.000 0.000 0.207 319 K C 2.322 178.980 176.600 0.096 0.000 1.049 319 K CA 0.329 56.687 56.287 0.117 0.000 0.933 319 K CB -0.338 32.238 32.500 0.128 0.000 0.714 319 K HN 0.254 nan 8.250 nan 0.000 0.438 320 I N 1.278 121.910 120.570 0.103 0.000 2.208 320 I HA -0.241 3.929 4.170 0.000 0.000 0.245 320 I C 2.438 178.610 176.117 0.093 0.000 1.097 320 I CA 0.885 62.239 61.300 0.089 0.000 1.363 320 I CB -0.998 37.058 38.000 0.092 0.000 1.051 320 I HN 0.057 nan 8.210 nan 0.000 0.413 321 L N 1.550 122.841 121.223 0.113 0.000 2.083 321 L HA -0.081 4.259 4.340 0.000 0.000 0.209 321 L C 2.581 179.511 176.870 0.100 0.000 1.083 321 L CA 2.012 56.927 54.840 0.125 0.000 0.752 321 L CB -0.849 41.318 42.059 0.180 0.000 0.899 321 L HN 0.186 nan 8.230 nan 0.000 0.433 322 A N -1.239 121.627 122.820 0.077 0.000 1.972 322 A HA -0.254 4.066 4.320 0.000 0.000 0.219 322 A C 2.162 179.775 177.584 0.050 0.000 1.169 322 A CA 1.817 53.885 52.037 0.051 0.000 0.635 322 A CB -0.501 18.519 19.000 0.035 0.000 0.810 322 A HN 0.675 nan 8.150 nan 0.000 0.446 323 Q N -1.256 118.578 119.800 0.056 0.000 2.311 323 Q HA -0.008 4.332 4.340 0.000 0.000 0.203 323 Q C 1.943 177.973 176.000 0.051 0.000 0.954 323 Q CA 0.576 56.409 55.803 0.049 0.000 0.885 323 Q CB 0.054 28.822 28.738 0.050 0.000 0.963 323 Q HN 0.429 nan 8.270 nan 0.000 0.471 324 R N 0.841 121.378 120.500 0.062 0.000 2.173 324 R HA 0.083 4.423 4.340 0.000 0.000 0.208 324 R C 0.037 176.375 176.300 0.063 0.000 1.035 324 R CA 0.264 56.402 56.100 0.063 0.000 1.004 324 R CB 0.051 30.396 30.300 0.075 0.000 0.917 324 R HN 0.113 nan 8.270 nan 0.000 0.462 325 K N 1.586 122.026 120.400 0.067 0.000 4.405 325 K HA -0.123 4.197 4.320 0.000 0.000 0.287 325 K C -2.320 174.322 176.600 0.071 0.000 0.905 325 K CA 0.061 56.386 56.287 0.065 0.000 0.867 325 K CB -0.994 31.534 32.500 0.048 0.000 1.652 325 K HN 0.245 nan 8.250 nan 0.000 0.435 326 P HA -0.012 nan 4.420 nan 0.000 0.272 326 P C 0.520 177.861 177.300 0.068 0.000 1.230 326 P CA 0.037 63.186 63.100 0.082 0.000 0.788 326 P CB 0.767 32.529 31.700 0.103 0.000 0.949 327 T N -3.336 111.244 114.554 0.044 0.000 3.182 327 T HA 0.230 4.580 4.350 0.000 0.000 0.277 327 T C 0.297 174.991 174.700 -0.010 0.000 1.013 327 T CA -0.300 61.816 62.100 0.027 0.000 0.900 327 T CB -0.473 68.409 68.868 0.022 0.000 1.098 327 T HN 0.076 nan 8.240 nan 0.000 0.543 328 V N 3.695 123.600 119.914 -0.015 0.000 2.432 328 V HA 0.358 4.478 4.120 0.000 0.000 0.275 328 V C -2.231 173.810 176.094 -0.089 0.000 1.043 328 V CA -2.150 60.099 62.300 -0.085 0.000 0.925 328 V CB 1.037 32.817 31.823 -0.071 0.000 0.985 328 V HN 0.249 nan 8.190 nan 0.000 0.466 329 P HA 0.108 nan 4.420 nan 0.000 0.264 329 P C -0.538 176.815 177.300 0.087 0.000 1.179 329 P CA 0.542 63.579 63.100 -0.105 0.000 0.763 329 P CB 0.316 31.652 31.700 -0.608 0.000 0.806 330 M N 2.624 122.362 119.600 0.230 0.000 2.457 330 M HA 0.455 4.935 4.480 0.000 0.000 0.300 330 M C -0.978 175.350 176.300 0.046 0.000 1.141 330 M CA -0.826 54.529 55.300 0.091 0.000 0.901 330 M CB 2.237 34.837 32.600 -0.000 0.000 1.687 330 M HN 0.071 nan 8.290 nan 0.000 0.449 331 L N 2.751 123.897 121.223 -0.129 0.000 2.388 331 L HA 0.532 4.872 4.340 0.000 0.000 0.267 331 L C -2.077 174.658 176.870 -0.225 0.000 0.995 331 L CA 0.062 54.778 54.840 -0.206 0.000 0.864 331 L CB 0.765 42.657 42.059 -0.278 0.000 1.216 331 L HN 0.624 nan 8.230 nan 0.000 0.430 332 W N 4.310 125.580 121.300 -0.049 0.000 2.351 332 W HA 0.575 5.235 4.660 0.000 0.000 0.311 332 W C 0.456 176.879 176.519 -0.160 0.000 1.168 332 W CA -0.157 57.160 57.345 -0.046 0.000 1.200 332 W CB 0.990 30.471 29.460 0.035 0.000 1.221 332 W HN 0.393 nan 8.180 nan 0.000 0.519 333 E N 3.843 124.090 120.200 0.078 0.000 2.293 333 E HA 0.374 4.724 4.350 0.000 0.000 0.270 333 E C -1.211 175.415 176.600 0.044 0.000 0.879 333 E CA -0.702 55.673 56.400 -0.041 0.000 0.756 333 E CB 2.180 31.767 29.700 -0.189 0.000 1.208 333 E HN 0.689 nan 8.360 nan 0.000 0.428 334 Q N 1.496 121.319 119.800 0.038 0.000 2.527 334 Q HA 0.630 4.970 4.340 0.000 0.000 0.280 334 Q C -0.732 175.332 176.000 0.106 0.000 0.977 334 Q CA -1.124 54.736 55.803 0.094 0.000 0.837 334 Q CB 0.905 29.691 28.738 0.079 0.000 1.454 334 Q HN 0.472 nan 8.270 nan 0.000 0.387 335 G N 1.033 109.939 108.800 0.177 0.000 2.503 335 G HA2 0.355 4.315 3.960 0.000 0.000 0.257 335 G HA3 0.355 4.315 3.960 0.000 0.000 0.257 335 G C 0.324 175.163 174.900 -0.101 0.000 1.214 335 G CA -0.809 44.367 45.100 0.126 0.000 0.839 335 G HN 0.651 nan 8.290 nan 0.000 0.559 336 L N 0.180 121.204 121.223 -0.332 0.000 2.201 336 L HA 0.032 4.372 4.340 0.000 0.000 0.212 336 L C 1.053 177.592 176.870 -0.551 0.000 1.105 336 L CA 0.680 55.181 54.840 -0.564 0.000 0.775 336 L CB 0.027 41.516 42.059 -0.951 0.000 0.913 336 L HN 0.543 nan 8.230 nan 0.000 0.440 337 W N 0.141 121.373 121.300 -0.114 0.000 1.931 337 W HA 0.212 4.872 4.660 0.000 0.000 0.346 337 W C -0.031 176.427 176.519 -0.101 0.000 0.775 337 W CA -0.995 56.273 57.345 -0.129 0.000 2.738 337 W CB -0.004 29.369 29.460 -0.145 0.000 1.908 337 W HN -0.069 nan 8.180 nan 0.000 0.665 338 D N 2.401 122.865 120.400 0.107 0.000 2.344 338 D HA -0.041 4.599 4.640 0.000 0.000 0.253 338 D C 1.538 177.874 176.300 0.060 0.000 1.255 338 D CA 0.503 54.587 54.000 0.140 0.000 0.894 338 D CB 1.085 41.994 40.800 0.182 0.000 1.067 338 D HN 0.153 nan 8.370 nan 0.000 0.492 339 Q N 2.727 122.505 119.800 -0.035 0.000 2.403 339 Q HA -0.020 4.320 4.340 0.000 0.000 0.203 339 Q C 0.202 176.187 176.000 -0.024 0.000 0.932 339 Q CA 0.796 56.502 55.803 -0.162 0.000 0.945 339 Q CB 0.294 28.722 28.738 -0.515 0.000 1.045 339 Q HN 0.585 nan 8.270 nan 0.000 0.511 340 E N 0.144 120.311 120.200 -0.054 0.000 2.406 340 E HA 0.110 4.460 4.350 0.000 0.000 0.204 340 E C -0.275 176.242 176.600 -0.138 0.000 0.820 340 E CA 0.157 56.450 56.400 -0.178 0.000 1.136 340 E CB 0.697 30.033 29.700 -0.607 0.000 1.129 340 E HN 0.241 nan 8.360 nan 0.000 0.530 341 D N 0.709 121.091 120.400 -0.031 0.000 2.613 341 D HA 0.114 4.754 4.640 0.000 0.000 0.312 341 D C 0.221 176.633 176.300 0.187 0.000 1.202 341 D CA -0.020 54.041 54.000 0.101 0.000 0.825 341 D CB 1.221 42.123 40.800 0.170 0.000 1.113 341 D HN 0.028 nan 8.370 nan 0.000 0.502 342 M N 0.162 119.874 119.600 0.187 0.000 2.349 342 M HA 0.047 4.527 4.480 0.000 0.000 0.266 342 M C 1.577 178.000 176.300 0.206 0.000 1.076 342 M CA 1.067 56.473 55.300 0.178 0.000 1.126 342 M CB 0.152 32.865 32.600 0.189 0.000 1.392 342 M HN 0.386 nan 8.290 nan 0.000 0.440 343 W N 0.427 121.731 121.300 0.006 0.000 2.441 343 W HA 0.032 4.692 4.660 0.000 0.000 0.302 343 W C 1.699 178.322 176.519 0.174 0.000 1.191 343 W CA 1.629 59.000 57.345 0.044 0.000 1.327 343 W CB -0.945 28.389 29.460 -0.209 0.000 1.128 343 W HN 0.314 nan 8.180 nan 0.000 0.522 344 G N 1.516 110.532 108.800 0.361 0.000 2.908 344 G HA2 -0.428 3.532 3.960 0.000 0.000 0.218 344 G HA3 -0.428 3.532 3.960 0.000 0.000 0.218 344 G C 1.652 176.662 174.900 0.183 0.000 1.311 344 G CA 2.741 48.018 45.100 0.295 0.000 0.787 344 G HN 0.401 nan 8.290 nan 0.000 0.700 345 A N 0.101 123.041 122.820 0.200 0.000 1.883 345 A HA -0.027 4.293 4.320 0.000 0.000 0.217 345 A C 2.512 180.082 177.584 -0.024 0.000 1.186 345 A CA 1.871 54.019 52.037 0.185 0.000 0.624 345 A CB -0.459 18.698 19.000 0.261 0.000 0.822 345 A HN 0.579 nan 8.150 nan 0.000 0.444 346 I N -1.633 118.917 120.570 -0.034 0.000 2.315 346 I HA -0.243 3.927 4.170 0.000 0.000 0.248 346 I C 2.242 178.271 176.117 -0.147 0.000 1.117 346 I CA 1.685 62.939 61.300 -0.077 0.000 1.404 346 I CB -0.102 37.812 38.000 -0.143 0.000 1.071 346 I HN 0.477 nan 8.210 nan 0.000 0.419 347 H N 0.076 118.992 119.070 -0.256 0.000 2.436 347 H HA 0.083 4.639 4.556 0.000 0.000 0.294 347 H C 2.190 177.386 175.328 -0.220 0.000 1.048 347 H CA 1.236 57.098 56.048 -0.309 0.000 1.353 347 H CB -0.052 29.353 29.762 -0.594 0.000 1.414 347 H HN 0.415 nan 8.280 nan 0.000 0.536 348 A N 0.248 122.948 122.820 -0.200 0.000 1.872 348 A HA -0.170 4.150 4.320 0.000 0.000 0.214 348 A C 2.082 179.283 177.584 -0.638 0.000 1.187 348 A CA 1.260 53.027 52.037 -0.451 0.000 0.614 348 A CB -1.108 17.413 19.000 -0.798 0.000 0.826 348 A HN 0.667 nan 8.150 nan 0.000 0.442 349 W N 0.725 121.432 121.300 -0.987 0.000 2.358 349 W HA -0.233 4.427 4.660 0.000 0.000 0.303 349 W C 2.134 178.466 176.519 -0.312 0.000 1.208 349 W CA 2.191 59.093 57.345 -0.739 0.000 1.274 349 W CB -0.161 28.969 29.460 -0.550 0.000 1.138 349 W HN 0.396 nan 8.180 nan 0.000 0.515 350 Q N 0.729 120.343 119.800 -0.310 0.000 2.172 350 Q HA -0.039 4.301 4.340 0.000 0.000 0.200 350 Q C 2.178 177.964 176.000 -0.356 0.000 0.964 350 Q CA 2.307 57.830 55.803 -0.467 0.000 0.855 350 Q CB -0.753 27.863 28.738 -0.203 0.000 0.918 350 Q HN 0.281 nan 8.270 nan 0.000 0.444 351 A N -0.106 122.573 122.820 -0.235 0.000 1.930 351 A HA -0.064 4.256 4.320 0.000 0.000 0.217 351 A C 2.023 179.518 177.584 -0.149 0.000 1.175 351 A CA 1.095 53.050 52.037 -0.136 0.000 0.627 351 A CB -0.568 18.399 19.000 -0.056 0.000 0.815 351 A HN 0.434 nan 8.150 nan 0.000 0.443 352 L N -0.698 120.403 121.223 -0.204 0.000 2.027 352 L HA -0.154 4.186 4.340 0.000 0.000 0.206 352 L C 2.630 179.388 176.870 -0.186 0.000 1.074 352 L CA 1.803 56.562 54.840 -0.135 0.000 0.745 352 L CB -0.405 41.614 42.059 -0.066 0.000 0.898 352 L HN 0.429 nan 8.230 nan 0.000 0.433 353 K N 0.099 120.278 120.400 -0.367 0.000 2.057 353 K HA -0.208 4.112 4.320 0.000 0.000 0.207 353 K C 1.471 177.933 176.600 -0.231 0.000 1.049 353 K CA 1.741 57.804 56.287 -0.374 0.000 0.931 353 K CB 0.015 32.096 32.500 -0.699 0.000 0.714 353 K HN 0.252 nan 8.250 nan 0.000 0.440 354 D N -0.195 120.075 120.400 -0.216 0.000 2.312 354 D HA -0.055 4.585 4.640 0.000 0.000 0.211 354 D C 0.920 177.174 176.300 -0.077 0.000 0.964 354 D CA 0.712 54.634 54.000 -0.130 0.000 0.877 354 D CB 0.308 41.042 40.800 -0.109 0.000 0.924 354 D HN 0.304 nan 8.370 nan 0.000 0.515 355 A N 0.339 123.117 122.820 -0.071 0.000 2.423 355 A HA 0.028 4.348 4.320 0.000 0.000 0.246 355 A C 0.272 177.841 177.584 -0.024 0.000 1.278 355 A CA -0.207 51.811 52.037 -0.032 0.000 0.903 355 A CB 0.105 19.095 19.000 -0.016 0.000 0.997 355 A HN -0.037 nan 8.150 nan 0.000 0.510 356 D N 0.172 120.547 120.400 -0.041 0.000 3.003 356 D HA -0.147 4.493 4.640 0.000 0.000 0.223 356 D C -0.086 176.213 176.300 -0.002 0.000 1.204 356 D CA 0.880 54.866 54.000 -0.023 0.000 0.828 356 D CB -0.812 39.982 40.800 -0.010 0.000 0.918 356 D HN 0.340 nan 8.370 nan 0.000 0.401 357 V N 2.985 122.899 119.914 -0.001 0.000 2.715 357 V HA 0.053 4.173 4.120 0.000 0.000 0.299 357 V C 0.756 176.877 176.094 0.046 0.000 1.054 357 V CA 0.136 62.455 62.300 0.031 0.000 1.077 357 V CB 1.251 33.105 31.823 0.052 0.000 0.972 357 V HN 0.164 nan 8.190 nan 0.000 0.484 358 K N 6.109 126.540 120.400 0.052 0.000 2.765 358 K HA 0.648 4.968 4.320 0.000 0.000 0.246 358 K C -0.303 176.337 176.600 0.066 0.000 1.254 358 K CA 0.273 56.594 56.287 0.056 0.000 1.219 358 K CB 0.361 32.889 32.500 0.046 0.000 1.747 358 K HN 0.822 nan 8.250 nan 0.000 0.372 359 A N 1.021 123.892 122.820 0.086 0.000 2.583 359 A HA 0.510 4.830 4.320 0.000 0.000 0.292 359 A C -2.969 174.703 177.584 0.146 0.000 1.045 359 A CA -1.241 50.852 52.037 0.093 0.000 0.672 359 A CB 0.842 19.881 19.000 0.066 0.000 1.283 359 A HN 0.067 nan 8.150 nan 0.000 0.419 360 P HA 0.243 nan 4.420 nan 0.000 0.262 360 P C -0.712 176.758 177.300 0.284 0.000 1.182 360 P CA 0.697 63.961 63.100 0.272 0.000 0.761 360 P CB 0.229 32.175 31.700 0.410 0.000 0.795 361 N N 1.412 120.295 118.700 0.305 0.000 2.685 361 N HA 0.207 4.947 4.740 0.000 0.000 0.252 361 N C -1.552 174.286 175.510 0.547 0.000 1.261 361 N CA -0.301 53.000 53.050 0.418 0.000 0.768 361 N CB 0.640 39.316 38.487 0.315 0.000 1.304 361 N HN 0.067 nan 8.380 nan 0.000 0.536 362 T N 2.059 116.856 114.554 0.405 0.000 2.855 362 T HA 0.485 4.835 4.350 0.000 0.000 0.281 362 T C -0.834 173.871 174.700 0.008 0.000 1.007 362 T CA -0.440 61.796 62.100 0.226 0.000 1.009 362 T CB 1.281 70.139 68.868 -0.016 0.000 0.983 362 T HN 0.330 nan 8.240 nan 0.000 0.455 363 L N 4.029 124.987 121.223 -0.441 0.000 2.307 363 L HA 0.743 5.083 4.340 0.000 0.000 0.284 363 L C -1.158 175.403 176.870 -0.515 0.000 1.023 363 L CA -0.426 53.974 54.840 -0.734 0.000 0.810 363 L CB 1.207 42.271 42.059 -1.658 0.000 1.231 363 L HN 0.436 nan 8.230 nan 0.000 0.423 364 V N 6.433 126.122 119.914 -0.375 0.000 2.487 364 V HA 0.559 4.679 4.120 0.000 0.000 0.298 364 V C -0.213 175.694 176.094 -0.311 0.000 1.028 364 V CA -0.459 61.631 62.300 -0.351 0.000 0.860 364 V CB 1.690 33.292 31.823 -0.369 0.000 0.991 364 V HN 0.778 nan 8.190 nan 0.000 0.427 365 M N 3.888 123.285 119.600 -0.338 0.000 2.204 365 M HA 0.619 5.099 4.480 0.000 0.000 0.293 365 M C 0.201 176.137 176.300 -0.607 0.000 0.994 365 M CA -0.218 54.843 55.300 -0.399 0.000 0.925 365 M CB 2.191 34.536 32.600 -0.425 0.000 1.577 365 M HN 0.777 nan 8.290 nan 0.000 0.439 366 G N 2.244 110.322 108.800 -1.203 0.000 2.667 366 G HA2 0.757 4.717 3.960 0.000 0.000 0.310 366 G HA3 0.757 4.717 3.960 0.000 0.000 0.310 366 G C -2.836 171.041 174.900 -1.705 0.000 1.259 366 G CA -1.349 42.507 45.100 -2.073 0.000 1.019 366 G HN 0.411 nan 8.290 nan 0.000 0.496 367 P HA 0.197 nan 4.420 nan 0.000 0.225 367 P C -1.060 175.878 177.300 -0.602 0.000 1.813 367 P CA -0.076 62.341 63.100 -1.139 0.000 1.013 367 P CB -0.113 30.394 31.700 -1.989 0.000 1.961 368 W N 2.216 123.471 121.300 -0.075 0.000 2.975 368 W HA 0.417 5.077 4.660 0.000 0.000 0.342 368 W C 0.536 177.122 176.519 0.113 0.000 1.168 368 W CA -0.766 56.598 57.345 0.031 0.000 1.141 368 W CB 0.917 30.364 29.460 -0.021 0.000 1.445 368 W HN 0.053 nan 8.180 nan 0.000 0.560 369 R N -0.319 120.394 120.500 0.356 0.000 2.606 369 R HA 0.382 4.722 4.340 0.000 0.000 0.249 369 R C -0.190 176.258 176.300 0.246 0.000 1.127 369 R CA -0.816 55.422 56.100 0.230 0.000 1.133 369 R CB -0.375 29.997 30.300 0.120 0.000 1.243 369 R HN 0.347 nan 8.270 nan 0.000 0.558 370 H N 0.210 119.346 119.070 0.110 0.000 3.157 370 H HA 0.026 4.582 4.556 0.000 0.000 0.299 370 H C -0.269 175.150 175.328 0.151 0.000 0.961 370 H CA 1.631 57.756 56.048 0.129 0.000 1.428 370 H CB -0.041 29.794 29.762 0.122 0.000 1.459 370 H HN 0.704 nan 8.280 nan 0.000 0.566 371 S N 1.884 117.418 115.700 -0.276 0.000 3.382 371 S HA -0.227 4.243 4.470 0.000 0.000 0.293 371 S C 1.818 176.429 174.600 0.018 0.000 1.262 371 S CA 0.853 58.938 58.200 -0.190 0.000 0.969 371 S CB -1.612 61.489 63.200 -0.165 0.000 1.136 371 S HN 1.018 nan 8.310 nan 0.000 0.635 372 G N 0.401 109.219 108.800 0.030 0.000 2.471 372 G HA2 -0.049 3.911 3.960 0.000 0.000 0.219 372 G HA3 -0.049 3.911 3.960 0.000 0.000 0.219 372 G C 1.214 175.903 174.900 -0.351 0.000 1.125 372 G CA 0.887 46.009 45.100 0.036 0.000 0.775 372 G HN 0.687 nan 8.290 nan 0.000 0.548 373 V N 1.098 120.605 119.914 -0.678 0.000 2.688 373 V HA -0.094 4.026 4.120 0.000 0.000 0.256 373 V C 1.632 177.424 176.094 -0.503 0.000 1.084 373 V CA 1.667 63.328 62.300 -1.066 0.000 1.103 373 V CB -0.325 30.930 31.823 -0.946 0.000 0.688 373 V HN 0.336 nan 8.190 nan 0.000 0.480 374 N N -1.230 117.234 118.700 -0.393 0.000 2.314 374 N HA 0.147 4.887 4.740 0.000 0.000 0.200 374 N C -0.260 174.762 175.510 -0.813 0.000 1.135 374 N CA 0.276 53.016 53.050 -0.518 0.000 0.835 374 N CB 0.342 38.482 38.487 -0.580 0.000 0.989 374 N HN 0.629 nan 8.380 nan 0.000 0.478 375 Y N -0.701 119.539 120.300 -0.101 0.000 3.326 375 Y HA 0.286 4.836 4.550 0.000 0.000 0.269 375 Y C 0.412 176.294 175.900 -0.030 0.000 2.118 375 Y CA -1.135 56.936 58.100 -0.047 0.000 0.942 375 Y CB 0.183 38.624 38.460 -0.032 0.000 1.585 375 Y HN -0.235 nan 8.280 nan 0.000 0.542 376 N N 0.551 119.377 118.700 0.210 0.000 2.426 376 N HA 0.234 4.974 4.740 0.000 0.000 0.275 376 N C -0.231 175.387 175.510 0.180 0.000 1.019 376 N CA 0.086 53.225 53.050 0.149 0.000 0.941 376 N CB 1.518 40.075 38.487 0.116 0.000 1.123 376 N HN 0.853 nan 8.380 nan 0.000 0.486 377 G N 1.745 110.684 108.800 0.232 0.000 3.959 377 G HA2 0.071 4.031 3.960 0.000 0.000 0.298 377 G HA3 0.071 4.031 3.960 0.000 0.000 0.298 377 G C 0.646 175.775 174.900 0.382 0.000 1.211 377 G CA -0.301 45.029 45.100 0.384 0.000 1.001 377 G HN 0.545 nan 8.290 nan 0.000 0.561 378 S N -0.123 115.741 115.700 0.273 0.000 2.446 378 S HA 0.091 4.561 4.470 0.000 0.000 0.225 378 S C 1.416 176.104 174.600 0.148 0.000 1.016 378 S CA 0.974 59.302 58.200 0.213 0.000 0.943 378 S CB 0.231 63.501 63.200 0.116 0.000 0.786 378 S HN 0.722 nan 8.310 nan 0.000 0.508 379 T N -0.926 113.708 114.554 0.132 0.000 2.787 379 T HA 0.710 5.061 4.350 0.000 0.000 0.297 379 T C -1.759 172.987 174.700 0.076 0.000 1.221 379 T CA -0.818 61.219 62.100 -0.105 0.000 1.006 379 T CB 1.799 70.596 68.868 -0.119 0.000 1.328 379 T HN -0.027 nan 8.240 nan 0.000 0.509 380 L N 0.917 122.089 121.223 -0.085 0.000 2.737 380 L HA 0.619 4.959 4.340 0.000 0.000 0.261 380 L C 0.523 177.294 176.870 -0.164 0.000 0.949 380 L CA 1.501 56.337 54.840 -0.006 0.000 0.952 380 L CB 0.893 43.045 42.059 0.155 0.000 1.337 380 L HN 1.678 nan 8.230 nan 0.000 0.430 381 G N 5.620 114.347 108.800 -0.123 0.000 2.574 381 G HA2 -0.255 3.705 3.960 0.000 0.000 0.286 381 G HA3 -0.255 3.705 3.960 0.000 0.000 0.286 381 G C -1.776 173.026 174.900 -0.163 0.000 1.212 381 G CA 0.173 45.193 45.100 -0.132 0.000 0.979 381 G HN 0.619 nan 8.290 nan 0.000 0.557 382 P HA 0.254 nan 4.420 nan 0.000 0.249 382 P C 0.781 177.890 177.300 -0.319 0.000 1.229 382 P CA 0.291 63.260 63.100 -0.219 0.000 0.788 382 P CB 0.015 31.587 31.700 -0.213 0.000 1.072 383 L N 0.418 121.400 121.223 -0.402 0.000 2.395 383 L HA 0.279 4.619 4.340 0.000 0.000 0.269 383 L C 0.613 177.046 176.870 -0.729 0.000 1.133 383 L CA -0.200 54.309 54.840 -0.552 0.000 0.812 383 L CB 0.524 42.218 42.059 -0.608 0.000 1.125 383 L HN -0.129 nan 8.230 nan 0.000 0.452 384 E N 1.902 121.671 120.200 -0.718 0.000 2.224 384 E HA 0.508 4.858 4.350 0.000 0.000 0.265 384 E C -1.420 174.828 176.600 -0.587 0.000 0.878 384 E CA -0.511 55.532 56.400 -0.595 0.000 0.759 384 E CB 1.997 31.535 29.700 -0.269 0.000 1.164 384 E HN 0.199 nan 8.360 nan 0.000 0.414 385 F N 0.421 120.364 119.950 -0.012 0.000 2.572 385 F HA 0.290 4.817 4.527 0.000 0.000 0.342 385 F C 0.911 176.739 175.800 0.047 0.000 1.064 385 F CA -1.142 56.861 58.000 0.005 0.000 1.008 385 F CB 0.747 39.648 39.000 -0.165 0.000 1.303 385 F HN 0.205 nan 8.300 nan 0.000 0.492 386 E N 1.804 122.196 120.200 0.321 0.000 1.802 386 E HA 0.390 4.740 4.350 0.000 0.000 0.265 386 E C 0.532 177.262 176.600 0.216 0.000 1.168 386 E CA 0.194 56.729 56.400 0.225 0.000 1.033 386 E CB -0.199 29.631 29.700 0.218 0.000 1.095 386 E HN 0.790 nan 8.360 nan 0.000 0.436 387 G N 3.037 111.945 108.800 0.179 0.000 2.796 387 G HA2 -0.255 3.705 3.960 0.000 0.000 0.571 387 G HA3 -0.255 3.705 3.960 0.000 0.000 0.571 387 G C -0.419 174.612 174.900 0.218 0.000 1.370 387 G CA -0.578 44.631 45.100 0.182 0.000 0.856 387 G HN 0.483 nan 8.290 nan 0.000 0.538 388 D N 0.758 121.292 120.400 0.223 0.000 2.398 388 D HA 0.348 4.988 4.640 0.000 0.000 0.250 388 D C 2.149 178.660 176.300 0.351 0.000 1.287 388 D CA 0.833 54.987 54.000 0.258 0.000 0.992 388 D CB 0.042 40.969 40.800 0.211 0.000 1.071 388 D HN 0.762 nan 8.370 nan 0.000 0.514 389 T N 0.814 115.598 114.554 0.385 0.000 2.833 389 T HA -0.134 4.216 4.350 0.000 0.000 0.269 389 T C 1.848 176.999 174.700 0.752 0.000 1.054 389 T CA 0.932 63.359 62.100 0.545 0.000 1.135 389 T CB -0.094 68.878 68.868 0.174 0.000 0.869 389 T HN 0.257 nan 8.240 nan 0.000 0.466 390 A N 1.505 124.672 122.820 0.578 0.000 1.873 390 A HA -0.087 4.233 4.320 0.000 0.000 0.215 390 A C 2.237 179.971 177.584 0.250 0.000 1.186 390 A CA 1.947 54.125 52.037 0.236 0.000 0.616 390 A CB -1.250 17.681 19.000 -0.114 0.000 0.823 390 A HN 0.724 nan 8.150 nan 0.000 0.442 391 H N -0.308 118.848 119.070 0.144 0.000 2.389 391 H HA -0.080 4.476 4.556 0.000 0.000 0.299 391 H C 2.108 177.486 175.328 0.085 0.000 1.081 391 H CA 2.102 58.194 56.048 0.074 0.000 1.345 391 H CB -0.195 29.601 29.762 0.056 0.000 1.393 391 H HN 0.588 nan 8.280 nan 0.000 0.520 392 Q N -0.972 118.906 119.800 0.131 0.000 2.061 392 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 392 Q C 2.015 177.981 176.000 -0.057 0.000 0.984 392 Q CA 1.921 57.757 55.803 0.055 0.000 0.846 392 Q CB -0.377 28.540 28.738 0.297 0.000 0.902 392 Q HN 0.669 nan 8.270 nan 0.000 0.421 393 Y N 1.104 121.380 120.300 -0.039 0.000 2.145 393 Y HA -0.209 4.341 4.550 0.000 0.000 0.286 393 Y C 2.124 177.961 175.900 -0.106 0.000 1.145 393 Y CA 1.465 59.475 58.100 -0.149 0.000 1.148 393 Y CB 0.066 38.556 38.460 0.049 0.000 0.981 393 Y HN -0.086 nan 8.280 nan 0.000 0.507 394 R N -0.048 120.252 120.500 -0.333 0.000 2.096 394 R HA -0.168 4.172 4.340 0.000 0.000 0.235 394 R C 2.509 178.505 176.300 -0.508 0.000 1.127 394 R CA 1.727 57.576 56.100 -0.418 0.000 0.968 394 R CB -0.322 29.858 30.300 -0.198 0.000 0.861 394 R HN 0.382 nan 8.270 nan 0.000 0.440 395 R N 0.500 120.706 120.500 -0.490 0.000 2.080 395 R HA -0.070 4.270 4.340 0.000 0.000 0.222 395 R C 0.875 176.985 176.300 -0.316 0.000 1.107 395 R CA 1.399 57.232 56.100 -0.445 0.000 0.980 395 R CB 0.226 30.213 30.300 -0.523 0.000 0.879 395 R HN 0.075 nan 8.270 nan 0.000 0.439 396 D N -0.556 119.677 120.400 -0.279 0.000 2.305 396 D HA -0.003 4.637 4.640 0.000 0.000 0.206 396 D C 1.422 177.628 176.300 -0.157 0.000 0.974 396 D CA 0.657 54.546 54.000 -0.186 0.000 0.871 396 D CB 0.782 41.491 40.800 -0.152 0.000 0.947 396 D HN 0.117 nan 8.370 nan 0.000 0.516 397 V N -0.270 119.496 119.914 -0.246 0.000 3.161 397 V HA 0.014 4.134 4.120 0.000 0.000 0.221 397 V C 1.688 177.715 176.094 -0.112 0.000 1.296 397 V CA -0.191 62.009 62.300 -0.167 0.000 1.306 397 V CB -0.140 31.576 31.823 -0.177 0.000 1.171 397 V HN -0.047 nan 8.190 nan 0.000 0.513 398 F N 2.449 122.012 119.950 -0.644 0.000 2.046 398 F HA -0.183 4.344 4.527 0.000 0.000 0.297 398 F C 2.574 178.238 175.800 -0.228 0.000 1.123 398 F CA 2.610 60.310 58.000 -0.500 0.000 1.199 398 F CB -0.538 37.963 39.000 -0.832 0.000 0.972 398 F HN 0.100 nan 8.300 nan 0.000 0.474 399 R N 0.656 120.969 120.500 -0.312 0.000 2.070 399 R HA -0.103 4.237 4.340 0.000 0.000 0.232 399 R C -0.815 175.467 176.300 -0.029 0.000 1.138 399 R CA 1.993 57.837 56.100 -0.427 0.000 0.936 399 R CB -1.890 28.041 30.300 -0.615 0.000 0.839 399 R HN 0.180 nan 8.270 nan 0.000 0.429 400 P HA -0.101 nan 4.420 nan 0.000 0.216 400 P C 1.027 178.432 177.300 0.174 0.000 1.150 400 P CA 1.141 64.277 63.100 0.059 0.000 0.837 400 P CB -0.216 31.498 31.700 0.024 0.000 0.786 401 F N -1.104 118.935 119.950 0.148 0.000 2.102 401 F HA -0.188 4.339 4.527 0.000 0.000 0.298 401 F C 1.975 178.047 175.800 0.453 0.000 1.105 401 F CA 1.366 59.532 58.000 0.275 0.000 1.239 401 F CB -0.510 38.690 39.000 0.333 0.000 0.991 401 F HN -0.238 nan 8.300 nan 0.000 0.474 402 F N 1.230 121.358 119.950 0.297 0.000 2.134 402 F HA -0.181 4.346 4.527 0.000 0.000 0.299 402 F C 2.277 178.182 175.800 0.175 0.000 1.097 402 F CA 1.556 59.709 58.000 0.254 0.000 1.264 402 F CB -1.064 38.184 39.000 0.412 0.000 1.001 402 F HN -0.014 nan 8.300 nan 0.000 0.479 403 D N -0.120 120.463 120.400 0.306 0.000 2.149 403 D HA -0.210 4.430 4.640 0.000 0.000 0.198 403 D C 2.206 178.477 176.300 -0.049 0.000 0.990 403 D CA 1.249 55.340 54.000 0.151 0.000 0.839 403 D CB -0.434 40.429 40.800 0.105 0.000 0.948 403 D HN 0.400 nan 8.370 nan 0.000 0.460 404 E N -0.638 119.451 120.200 -0.184 0.000 2.097 404 E HA -0.221 4.129 4.350 0.000 0.000 0.196 404 E C 1.225 177.457 176.600 -0.613 0.000 1.000 404 E CA 1.150 57.264 56.400 -0.477 0.000 0.804 404 E CB -0.045 29.202 29.700 -0.754 0.000 0.740 404 E HN 0.442 nan 8.360 nan 0.000 0.454 405 Y N -0.998 119.177 120.300 -0.209 0.000 2.458 405 Y HA 0.209 4.759 4.550 0.000 0.000 0.254 405 Y C 1.631 177.425 175.900 -0.177 0.000 1.120 405 Y CA -0.071 57.899 58.100 -0.217 0.000 1.282 405 Y CB 0.587 38.856 38.460 -0.318 0.000 1.109 405 Y HN 0.005 nan 8.280 nan 0.000 0.526 406 L N -0.676 120.531 121.223 -0.027 0.000 2.575 406 L HA 0.189 4.529 4.340 0.000 0.000 0.228 406 L C 0.157 176.965 176.870 -0.103 0.000 1.075 406 L CA 0.463 55.270 54.840 -0.055 0.000 0.867 406 L CB 0.389 42.450 42.059 0.003 0.000 1.097 406 L HN -0.146 nan 8.230 nan 0.000 0.485 407 K N 1.222 121.568 120.400 -0.090 0.000 2.540 407 K HA 0.324 4.644 4.320 0.000 0.000 0.218 407 K C -2.474 174.069 176.600 -0.095 0.000 1.017 407 K CA -1.820 54.404 56.287 -0.105 0.000 1.029 407 K CB 1.317 33.764 32.500 -0.089 0.000 1.348 407 K HN -0.219 nan 8.250 nan 0.000 0.508 408 P HA -0.121 nan 4.420 nan 0.000 0.263 408 P C 0.838 178.093 177.300 -0.076 0.000 1.175 408 P CA 1.209 64.260 63.100 -0.083 0.000 0.761 408 P CB 0.639 32.297 31.700 -0.070 0.000 0.794 409 G N 1.430 110.185 108.800 -0.076 0.000 2.234 409 G HA2 -0.231 3.729 3.960 0.000 0.000 0.235 409 G HA3 -0.231 3.729 3.960 0.000 0.000 0.235 409 G C 0.431 175.290 174.900 -0.067 0.000 0.997 409 G CA -0.012 45.051 45.100 -0.063 0.000 0.623 409 G HN 0.590 nan 8.290 nan 0.000 0.514 410 S N 1.118 116.768 115.700 -0.083 0.000 2.572 410 S HA 0.593 5.063 4.470 0.000 0.000 0.279 410 S C 0.949 175.492 174.600 -0.095 0.000 1.341 410 S CA 0.216 58.368 58.200 -0.081 0.000 1.043 410 S CB 1.311 64.460 63.200 -0.085 0.000 0.887 410 S HN 1.612 nan 8.310 nan 0.000 0.516 411 A N 2.847 125.623 122.820 -0.072 0.000 2.520 411 A HA 0.348 4.668 4.320 0.000 0.000 0.235 411 A C 0.620 178.139 177.584 -0.108 0.000 1.065 411 A CA -0.132 51.865 52.037 -0.067 0.000 0.764 411 A CB 0.031 19.008 19.000 -0.040 0.000 1.002 411 A HN 0.661 nan 8.150 nan 0.000 0.502 412 S N -0.521 115.110 115.700 -0.115 0.000 2.586 412 S HA 0.502 4.972 4.470 0.000 0.000 0.274 412 S C 0.071 174.553 174.600 -0.197 0.000 1.281 412 S CA -0.115 57.961 58.200 -0.207 0.000 1.035 412 S CB 1.071 64.134 63.200 -0.228 0.000 0.962 412 S HN 1.390 nan 8.310 nan 0.000 0.512 413 V N 1.403 121.171 119.914 -0.243 0.000 2.680 413 V HA 0.591 4.711 4.120 0.000 0.000 0.309 413 V C -0.903 175.056 176.094 -0.224 0.000 1.052 413 V CA -0.677 61.559 62.300 -0.107 0.000 0.908 413 V CB 1.612 33.480 31.823 0.075 0.000 1.001 413 V HN 0.912 nan 8.190 nan 0.000 0.431 414 H N 5.202 124.352 119.070 0.133 0.000 2.539 414 H HA 0.473 5.029 4.556 0.000 0.000 0.247 414 H C -0.479 174.945 175.328 0.160 0.000 1.363 414 H CA -0.298 55.837 56.048 0.146 0.000 1.371 414 H CB 1.213 31.035 29.762 0.101 0.000 1.438 414 H HN 0.586 nan 8.280 nan 0.000 0.523 415 L N 4.155 125.528 121.223 0.250 0.000 2.417 415 L HA 0.216 4.556 4.340 0.000 0.000 0.268 415 L C -1.411 175.584 176.870 0.207 0.000 1.158 415 L CA -1.574 53.389 54.840 0.204 0.000 0.819 415 L CB 0.431 42.557 42.059 0.111 0.000 1.112 415 L HN 0.320 nan 8.230 nan 0.000 0.458 416 P HA 0.161 nan 4.420 nan 0.000 0.293 416 P C -0.174 177.247 177.300 0.201 0.000 1.304 416 P CA -0.484 62.737 63.100 0.201 0.000 0.767 416 P CB 0.916 32.741 31.700 0.209 0.000 1.247 417 D N -0.780 119.779 120.400 0.265 0.000 2.123 417 D HA 0.002 4.642 4.640 0.000 0.000 0.196 417 D C 0.569 177.020 176.300 0.251 0.000 0.992 417 D CA 1.650 55.884 54.000 0.389 0.000 0.833 417 D CB -0.247 40.857 40.800 0.507 0.000 0.954 417 D HN 0.538 nan 8.370 nan 0.000 0.455 418 A N -0.698 122.160 122.820 0.064 0.000 2.547 418 A HA 0.636 4.956 4.320 0.000 0.000 0.297 418 A C -1.294 176.103 177.584 -0.311 0.000 1.056 418 A CA -0.592 51.281 52.037 -0.274 0.000 0.688 418 A CB 1.289 19.945 19.000 -0.572 0.000 1.282 418 A HN 0.032 nan 8.150 nan 0.000 0.400 419 I N 2.725 123.036 120.570 -0.432 0.000 2.420 419 I HA 0.433 4.603 4.170 0.000 0.000 0.282 419 I C -0.999 174.920 176.117 -0.329 0.000 1.019 419 I CA -0.087 60.903 61.300 -0.515 0.000 1.130 419 I CB 1.151 38.755 38.000 -0.661 0.000 1.262 419 I HN 0.480 nan 8.210 nan 0.000 0.454 420 I N 5.630 126.027 120.570 -0.288 0.000 2.545 420 I HA 0.301 4.471 4.170 0.000 0.000 0.292 420 I C -0.759 175.215 176.117 -0.239 0.000 1.040 420 I CA -0.974 60.162 61.300 -0.275 0.000 1.068 420 I CB 2.191 39.931 38.000 -0.434 0.000 1.251 420 I HN 0.391 nan 8.210 nan 0.000 0.424 421 Y N 5.741 125.669 120.300 -0.619 0.000 2.346 421 Y HA 0.167 4.717 4.550 0.000 0.000 0.330 421 Y C 0.374 175.941 175.900 -0.555 0.000 1.178 421 Y CA 0.122 57.674 58.100 -0.913 0.000 1.331 421 Y CB 0.688 38.264 38.460 -1.474 0.000 1.253 421 Y HN 0.503 nan 8.280 nan 0.000 0.529 422 N N 3.586 121.736 118.700 -0.916 0.000 2.462 422 N HA 0.026 4.766 4.740 0.000 0.000 0.242 422 N C 0.379 175.613 175.510 -0.460 0.000 1.010 422 N CA 0.272 53.004 53.050 -0.530 0.000 0.939 422 N CB 1.142 39.378 38.487 -0.418 0.000 1.127 422 N HN 0.896 nan 8.380 nan 0.000 0.509 423 T N -0.188 114.291 114.554 -0.125 0.000 3.163 423 T HA 0.040 4.390 4.350 0.000 0.000 0.260 423 T C 1.402 176.188 174.700 0.143 0.000 1.156 423 T CA 0.680 62.875 62.100 0.159 0.000 1.072 423 T CB 0.176 69.191 68.868 0.243 0.000 0.937 423 T HN 0.431 nan 8.240 nan 0.000 0.528 424 G N 1.179 109.881 108.800 -0.163 0.000 2.692 424 G HA2 0.063 4.023 3.960 0.000 0.000 0.209 424 G HA3 0.063 4.023 3.960 0.000 0.000 0.209 424 G C 1.118 175.882 174.900 -0.228 0.000 1.166 424 G CA 0.065 44.946 45.100 -0.365 0.000 0.844 424 G HN 0.375 nan 8.290 nan 0.000 0.596 425 D N 0.757 121.013 120.400 -0.240 0.000 2.348 425 D HA 0.035 4.675 4.640 0.000 0.000 0.216 425 D C 0.504 176.684 176.300 -0.200 0.000 0.970 425 D CA 0.443 54.326 54.000 -0.195 0.000 0.889 425 D CB 0.095 40.780 40.800 -0.192 0.000 0.912 425 D HN 0.149 nan 8.370 nan 0.000 0.524 426 Q N -0.479 119.151 119.800 -0.283 0.000 2.459 426 Q HA -0.216 4.124 4.340 0.000 0.000 0.322 426 Q C -0.436 175.331 176.000 -0.389 0.000 1.427 426 Q CA 0.855 56.499 55.803 -0.265 0.000 0.861 426 Q CB -1.988 26.764 28.738 0.022 0.000 1.137 426 Q HN 0.587 nan 8.270 nan 0.000 0.394 427 K N -2.547 117.375 120.400 -0.797 0.000 2.597 427 K HA 0.604 4.924 4.320 0.000 0.000 0.282 427 K C -1.242 174.953 176.600 -0.675 0.000 0.975 427 K CA -1.018 54.964 56.287 -0.508 0.000 0.867 427 K CB 0.752 33.130 32.500 -0.204 0.000 1.465 427 K HN -0.019 nan 8.250 nan 0.000 0.417 428 W N 1.676 122.851 121.300 -0.209 0.000 2.287 428 W HA 0.269 4.929 4.660 0.000 0.000 0.313 428 W C -0.443 175.974 176.519 -0.169 0.000 1.267 428 W CA 0.292 57.542 57.345 -0.159 0.000 1.201 428 W CB 0.917 30.393 29.460 0.027 0.000 1.196 428 W HN 0.374 nan 8.180 nan 0.000 0.536 429 D N 2.407 122.762 120.400 -0.076 0.000 2.308 429 D HA 0.186 4.826 4.640 0.000 0.000 0.242 429 D C -1.238 174.799 176.300 -0.438 0.000 1.059 429 D CA -0.632 53.179 54.000 -0.315 0.000 0.830 429 D CB 1.117 41.532 40.800 -0.641 0.000 1.161 429 D HN 0.232 nan 8.370 nan 0.000 0.494 430 Y N 1.587 121.640 120.300 -0.412 0.000 2.353 430 Y HA 0.255 4.805 4.550 0.000 0.000 0.340 430 Y C -0.260 175.454 175.900 -0.310 0.000 0.972 430 Y CA -0.714 57.219 58.100 -0.278 0.000 1.157 430 Y CB 0.801 39.188 38.460 -0.122 0.000 1.157 430 Y HN 0.270 nan 8.280 nan 0.000 0.495 431 Y N 3.474 123.814 120.300 0.067 0.000 2.402 431 Y HA 0.281 4.831 4.550 0.000 0.000 0.332 431 Y C 1.381 177.380 175.900 0.166 0.000 0.960 431 Y CA -0.840 57.336 58.100 0.125 0.000 1.228 431 Y CB 1.189 39.736 38.460 0.145 0.000 1.120 431 Y HN 0.640 nan 8.280 nan 0.000 0.491 432 R N 1.258 121.949 120.500 0.317 0.000 2.094 432 R HA -0.100 4.240 4.340 0.000 0.000 0.239 432 R C -0.150 176.309 176.300 0.264 0.000 1.137 432 R CA 1.420 57.667 56.100 0.245 0.000 0.943 432 R CB 0.079 30.493 30.300 0.189 0.000 0.850 432 R HN 0.488 nan 8.270 nan 0.000 0.433 433 S N -1.401 114.465 115.700 0.277 0.000 2.500 433 S HA 0.427 4.897 4.470 0.000 0.000 0.301 433 S C -1.742 173.061 174.600 0.339 0.000 1.092 433 S CA -0.607 57.745 58.200 0.255 0.000 1.030 433 S CB 1.965 65.253 63.200 0.146 0.000 1.031 433 S HN 0.383 nan 8.310 nan 0.000 0.483 434 W N 4.123 125.505 121.300 0.138 0.000 3.479 434 W HA 0.511 5.171 4.660 0.000 0.000 0.304 434 W C -3.061 173.559 176.519 0.167 0.000 1.243 434 W CA -1.464 55.921 57.345 0.067 0.000 1.202 434 W CB 1.098 30.592 29.460 0.056 0.000 1.346 434 W HN 0.409 nan 8.180 nan 0.000 0.539 435 P HA 0.233 nan 4.420 nan 0.000 0.278 435 P C 0.287 177.263 177.300 -0.539 0.000 1.258 435 P CA -0.186 62.136 63.100 -1.296 0.000 0.811 435 P CB 1.593 32.434 31.700 -1.432 0.000 1.063 436 S N -0.600 114.828 115.700 -0.453 0.000 2.528 436 S HA 0.181 4.651 4.470 0.000 0.000 0.219 436 S C 0.582 175.065 174.600 -0.196 0.000 0.985 436 S CA 0.092 58.157 58.200 -0.224 0.000 0.914 436 S CB -0.754 62.356 63.200 -0.150 0.000 0.776 436 S HN 0.402 nan 8.310 nan 0.000 0.526 437 V N -0.620 119.140 119.914 -0.256 0.000 2.760 437 V HA 0.901 5.021 4.120 0.000 0.000 0.309 437 V C -0.357 175.609 176.094 -0.213 0.000 1.077 437 V CA -0.858 61.330 62.300 -0.187 0.000 0.910 437 V CB 0.521 32.257 31.823 -0.145 0.000 1.008 437 V HN 0.842 nan 8.190 nan 0.000 0.424 438 C N 1.430 120.641 119.300 -0.149 0.000 3.253 438 C HA 0.572 5.032 4.460 0.000 0.000 0.362 438 C C 1.069 176.015 174.990 -0.073 0.000 1.487 438 C CA -0.011 58.928 59.018 -0.132 0.000 1.179 438 C CB 1.200 28.845 27.740 -0.159 0.000 1.660 438 C HN 0.974 nan 8.230 nan 0.000 0.438 439 E N 1.227 121.401 120.200 -0.044 0.000 2.077 439 E HA -0.004 4.346 4.350 0.000 0.000 0.193 439 E C 0.695 177.288 176.600 -0.011 0.000 0.989 439 E CA 1.969 58.366 56.400 -0.004 0.000 0.800 439 E CB 0.032 29.758 29.700 0.043 0.000 0.746 439 E HN 0.860 nan 8.360 nan 0.000 0.452 440 S N -0.890 114.795 115.700 -0.024 0.000 2.536 440 S HA 0.324 4.794 4.470 0.000 0.000 0.271 440 S C -0.484 174.094 174.600 -0.037 0.000 1.134 440 S CA -0.859 57.327 58.200 -0.023 0.000 0.897 440 S CB 1.426 64.621 63.200 -0.009 0.000 1.094 440 S HN 0.311 nan 8.310 nan 0.000 0.473 441 N N -0.358 118.322 118.700 -0.033 0.000 2.756 441 N HA -0.146 4.594 4.740 0.000 0.000 0.248 441 N C -0.738 174.741 175.510 -0.052 0.000 1.062 441 N CA 0.569 53.597 53.050 -0.037 0.000 0.696 441 N CB -1.752 36.716 38.487 -0.032 0.000 0.946 441 N HN 0.674 nan 8.380 nan 0.000 0.548 442 C N -1.375 117.892 119.300 -0.055 0.000 3.044 442 C HA 0.365 4.825 4.460 0.000 0.000 0.315 442 C C 2.214 177.172 174.990 -0.054 0.000 1.320 442 C CA -0.436 58.540 59.018 -0.069 0.000 1.582 442 C CB 1.687 29.365 27.740 -0.102 0.000 2.039 442 C HN 0.462 nan 8.230 nan 0.000 0.466 443 T N 0.603 115.123 114.554 -0.057 0.000 2.833 443 T HA 0.138 4.488 4.350 0.000 0.000 0.269 443 T C 0.688 175.363 174.700 -0.042 0.000 1.054 443 T CA 1.623 63.698 62.100 -0.041 0.000 1.135 443 T CB -0.155 68.691 68.868 -0.037 0.000 0.869 443 T HN 0.960 nan 8.240 nan 0.000 0.466 444 G N -0.959 107.807 108.800 -0.057 0.000 2.708 444 G HA2 0.610 4.570 3.960 0.000 0.000 0.289 444 G HA3 0.610 4.570 3.960 0.000 0.000 0.289 444 G C -0.607 174.257 174.900 -0.059 0.000 1.416 444 G CA -0.328 44.741 45.100 -0.052 0.000 0.829 444 G HN 0.332 nan 8.290 nan 0.000 0.480 445 G N -1.314 107.459 108.800 -0.046 0.000 2.705 445 G HA2 0.572 4.532 3.960 0.000 0.000 0.299 445 G HA3 0.572 4.532 3.960 0.000 0.000 0.299 445 G C -0.849 174.024 174.900 -0.044 0.000 1.315 445 G CA -0.659 44.416 45.100 -0.041 0.000 1.045 445 G HN 0.477 nan 8.290 nan 0.000 0.517 446 L N -0.209 120.993 121.223 -0.034 0.000 2.439 446 L HA 0.454 4.794 4.340 0.000 0.000 0.261 446 L C 0.799 177.661 176.870 -0.015 0.000 1.153 446 L CA -0.070 54.751 54.840 -0.033 0.000 0.808 446 L CB 1.367 43.406 42.059 -0.034 0.000 1.126 446 L HN 0.350 nan 8.230 nan 0.000 0.460 447 T N 3.307 117.859 114.554 -0.003 0.000 2.791 447 T HA 0.421 4.771 4.350 0.000 0.000 0.288 447 T C -2.516 172.202 174.700 0.031 0.000 0.999 447 T CA -1.190 60.928 62.100 0.030 0.000 0.952 447 T CB 1.433 70.314 68.868 0.023 0.000 0.938 447 T HN 0.286 nan 8.240 nan 0.000 0.444 448 P HA 0.258 nan 4.420 nan 0.000 0.276 448 P C -0.833 176.220 177.300 -0.411 0.000 1.235 448 P CA -0.734 62.162 63.100 -0.340 0.000 0.772 448 P CB 0.486 31.807 31.700 -0.631 0.000 0.871 449 L N 5.874 126.823 121.223 -0.456 0.000 2.277 449 L HA 0.396 4.736 4.340 0.000 0.000 0.284 449 L C -1.210 175.358 176.870 -0.503 0.000 1.028 449 L CA -0.811 53.686 54.840 -0.571 0.000 0.835 449 L CB -0.423 41.289 42.059 -0.578 0.000 1.215 449 L HN 0.207 nan 8.230 nan 0.000 0.425 450 Y N 4.590 124.738 120.300 -0.254 0.000 2.304 450 Y HA 0.382 4.932 4.550 0.000 0.000 0.328 450 Y C 0.181 175.926 175.900 -0.258 0.000 1.123 450 Y CA -0.470 57.491 58.100 -0.230 0.000 1.218 450 Y CB 0.806 39.134 38.460 -0.220 0.000 1.207 450 Y HN 0.393 nan 8.280 nan 0.000 0.495 451 L N 2.837 123.986 121.223 -0.124 0.000 2.439 451 L HA 0.460 4.800 4.340 0.000 0.000 0.269 451 L C 0.397 177.126 176.870 -0.236 0.000 1.179 451 L CA 0.360 55.004 54.840 -0.327 0.000 0.828 451 L CB 0.148 41.827 42.059 -0.633 0.000 1.106 451 L HN 0.856 nan 8.230 nan 0.000 0.467 452 A N 1.876 124.520 122.820 -0.295 0.000 2.524 452 A HA 0.477 4.797 4.320 0.000 0.000 0.289 452 A C -0.804 176.444 177.584 -0.560 0.000 1.248 452 A CA -0.721 51.102 52.037 -0.358 0.000 0.712 452 A CB 0.635 19.551 19.000 -0.141 0.000 1.312 452 A HN 0.608 nan 8.150 nan 0.000 0.441 453 D N -0.559 119.622 120.400 -0.364 0.000 2.368 453 D HA 0.375 5.015 4.640 0.000 0.000 0.240 453 D C 1.184 177.408 176.300 -0.126 0.000 1.169 453 D CA 1.918 55.786 54.000 -0.221 0.000 0.906 453 D CB 0.674 41.450 40.800 -0.040 0.000 1.187 453 D HN 1.424 nan 8.370 nan 0.000 0.435 454 G N 1.944 110.695 108.800 -0.083 0.000 2.160 454 G HA2 -0.329 3.631 3.960 0.000 0.000 0.251 454 G HA3 -0.329 3.631 3.960 0.000 0.000 0.251 454 G C 0.349 175.294 174.900 0.075 0.000 1.008 454 G CA 0.824 45.936 45.100 0.020 0.000 0.724 454 G HN 0.846 nan 8.290 nan 0.000 0.514 455 H N -2.188 116.822 119.070 -0.100 0.000 2.791 455 H HA -0.094 4.462 4.556 0.000 0.000 0.302 455 H C 1.509 176.831 175.328 -0.010 0.000 1.198 455 H CA 1.961 57.894 56.048 -0.190 0.000 1.145 455 H CB -1.323 28.241 29.762 -0.330 0.000 1.385 455 H HN 1.342 nan 8.280 nan 0.000 0.409 456 G N -0.515 108.347 108.800 0.103 0.000 2.511 456 G HA2 0.669 4.629 3.960 0.000 0.000 0.316 456 G HA3 0.669 4.629 3.960 0.000 0.000 0.316 456 G C -0.605 174.331 174.900 0.061 0.000 1.210 456 G CA -0.878 44.261 45.100 0.066 0.000 0.969 456 G HN 0.162 nan 8.290 nan 0.000 0.492 457 L N 0.238 121.451 121.223 -0.017 0.000 2.436 457 L HA 0.626 4.966 4.340 0.000 0.000 0.268 457 L C -0.300 176.481 176.870 -0.149 0.000 0.974 457 L CA -0.667 54.108 54.840 -0.107 0.000 0.826 457 L CB 2.326 44.295 42.059 -0.149 0.000 1.291 457 L HN 0.597 nan 8.230 nan 0.000 0.406 458 S N 0.890 116.493 115.700 -0.161 0.000 2.541 458 S HA 0.531 5.001 4.470 0.000 0.000 0.271 458 S C 0.009 174.549 174.600 -0.101 0.000 1.133 458 S CA -0.470 57.661 58.200 -0.115 0.000 0.876 458 S CB 1.123 64.325 63.200 0.003 0.000 1.105 458 S HN 0.459 nan 8.310 nan 0.000 0.470 459 F N 1.662 121.661 119.950 0.081 0.000 2.780 459 F HA 0.158 4.685 4.527 0.000 0.000 0.299 459 F C 1.450 177.381 175.800 0.218 0.000 1.146 459 F CA 0.298 58.359 58.000 0.103 0.000 1.428 459 F CB 0.326 39.350 39.000 0.040 0.000 1.115 459 F HN 0.375 nan 8.300 nan 0.000 0.583 460 T N -0.897 113.844 114.554 0.313 0.000 2.806 460 T HA 0.063 4.413 4.350 0.000 0.000 0.290 460 T C -0.562 174.202 174.700 0.107 0.000 0.966 460 T CA -0.379 61.849 62.100 0.214 0.000 1.060 460 T CB 0.389 69.329 68.868 0.120 0.000 0.927 460 T HN 0.127 nan 8.240 nan 0.000 0.485 461 H N 4.575 123.537 119.070 -0.181 0.000 2.899 461 H HA 0.247 4.803 4.556 0.000 0.000 0.303 461 H C -2.179 172.910 175.328 -0.399 0.000 1.042 461 H CA -1.612 53.987 56.048 -0.748 0.000 1.479 461 H CB 0.401 29.810 29.762 -0.589 0.000 1.493 461 H HN 0.280 nan 8.280 nan 0.000 0.534 462 P HA 0.075 nan 4.420 nan 0.000 0.276 462 P C -0.106 177.252 177.300 0.096 0.000 1.243 462 P CA -0.113 62.970 63.100 -0.028 0.000 0.768 462 P CB 1.408 33.075 31.700 -0.055 0.000 0.856 463 A N 3.792 126.630 122.820 0.029 0.000 1.873 463 A HA 0.139 4.459 4.320 0.000 0.000 0.215 463 A C 1.217 178.798 177.584 -0.006 0.000 1.186 463 A CA 1.339 53.369 52.037 -0.012 0.000 0.616 463 A CB -1.043 17.933 19.000 -0.040 0.000 0.823 463 A HN 0.613 nan 8.150 nan 0.000 0.442 464 A N 0.690 123.508 122.820 -0.003 0.000 2.388 464 A HA 0.439 4.759 4.320 0.000 0.000 0.257 464 A C -0.321 177.248 177.584 -0.026 0.000 1.095 464 A CA -0.505 51.525 52.037 -0.011 0.000 0.791 464 A CB 0.105 19.100 19.000 -0.008 0.000 1.029 464 A HN 0.484 nan 8.150 nan 0.000 0.489 465 D N 0.234 120.608 120.400 -0.043 0.000 2.358 465 D HA 0.518 5.158 4.640 0.000 0.000 0.244 465 D C 0.430 176.548 176.300 -0.303 0.000 1.163 465 D CA 1.173 55.111 54.000 -0.104 0.000 0.945 465 D CB 1.544 42.375 40.800 0.053 0.000 1.152 465 D HN 0.817 nan 8.370 nan 0.000 0.451 466 G N -1.333 107.001 108.800 -0.777 0.000 2.451 466 G HA2 0.580 4.540 3.960 0.000 0.000 0.292 466 G HA3 0.580 4.540 3.960 0.000 0.000 0.292 466 G C -2.069 172.069 174.900 -1.269 0.000 1.427 466 G CA -0.171 44.415 45.100 -0.857 0.000 0.792 466 G HN 0.635 nan 8.290 nan 0.000 0.498 467 A N 0.060 122.479 122.820 -0.668 0.000 2.594 467 A HA 0.721 5.041 4.320 0.000 0.000 0.296 467 A C -2.099 175.496 177.584 0.019 0.000 1.056 467 A CA -0.660 51.199 52.037 -0.297 0.000 0.693 467 A CB 1.845 20.758 19.000 -0.145 0.000 1.278 467 A HN 0.528 nan 8.150 nan 0.000 0.408 468 D N 1.174 121.669 120.400 0.157 0.000 2.362 468 D HA 0.674 5.314 4.640 0.000 0.000 0.247 468 D C -0.382 176.055 176.300 0.228 0.000 1.050 468 D CA 0.028 54.142 54.000 0.190 0.000 0.839 468 D CB 2.136 43.053 40.800 0.196 0.000 1.283 468 D HN 0.400 nan 8.370 nan 0.000 0.477 469 S N 0.831 116.654 115.700 0.205 0.000 2.621 469 S HA 0.772 5.242 4.470 0.000 0.000 0.302 469 S C -0.822 173.947 174.600 0.282 0.000 1.093 469 S CA -0.816 57.494 58.200 0.182 0.000 1.017 469 S CB 1.360 64.622 63.200 0.104 0.000 1.077 469 S HN 0.509 nan 8.310 nan 0.000 0.517 470 Y N -2.231 118.151 120.300 0.137 0.000 2.558 470 Y HA 0.720 5.270 4.550 0.000 0.000 0.333 470 Y C -1.561 174.402 175.900 0.105 0.000 1.125 470 Y CA -1.397 56.772 58.100 0.114 0.000 1.039 470 Y CB 0.280 38.813 38.460 0.122 0.000 1.331 470 Y HN 0.333 nan 8.280 nan 0.000 0.456 471 V N 2.584 122.613 119.914 0.191 0.000 2.439 471 V HA 0.511 4.631 4.120 0.000 0.000 0.282 471 V C -0.197 176.000 176.094 0.171 0.000 1.039 471 V CA -0.341 62.019 62.300 0.100 0.000 0.913 471 V CB 1.454 33.331 31.823 0.090 0.000 0.983 471 V HN 0.812 nan 8.190 nan 0.000 0.460 472 S N 3.181 118.936 115.700 0.092 0.000 2.594 472 S HA 0.322 4.792 4.470 0.000 0.000 0.322 472 S C -0.849 173.803 174.600 0.088 0.000 1.085 472 S CA -0.670 57.603 58.200 0.122 0.000 1.116 472 S CB 0.517 63.761 63.200 0.073 0.000 0.979 472 S HN 0.820 nan 8.310 nan 0.000 0.465 473 D N 5.361 125.831 120.400 0.116 0.000 2.392 473 D HA 0.442 5.082 4.640 0.000 0.000 0.228 473 D C -1.803 174.550 176.300 0.088 0.000 1.074 473 D CA -2.259 51.812 54.000 0.117 0.000 0.838 473 D CB 1.891 42.797 40.800 0.178 0.000 1.067 473 D HN 0.222 nan 8.370 nan 0.000 0.511 474 P HA -0.022 nan 4.420 nan 0.000 0.228 474 P C 0.681 177.884 177.300 -0.162 0.000 1.151 474 P CA 0.613 63.702 63.100 -0.020 0.000 0.770 474 P CB 0.301 32.067 31.700 0.110 0.000 0.786 475 A N -1.577 121.165 122.820 -0.130 0.000 2.169 475 A HA -0.040 4.280 4.320 0.000 0.000 0.212 475 A C 0.332 177.613 177.584 -0.505 0.000 1.153 475 A CA 0.846 52.698 52.037 -0.308 0.000 0.756 475 A CB -0.892 17.950 19.000 -0.262 0.000 0.813 475 A HN 0.260 nan 8.150 nan 0.000 0.471 476 H N -0.386 118.678 119.070 -0.011 0.000 2.514 476 H HA 0.263 4.819 4.556 0.000 0.000 0.226 476 H C -2.859 172.524 175.328 0.092 0.000 1.421 476 H CA -1.531 54.563 56.048 0.076 0.000 1.394 476 H CB 0.621 30.432 29.762 0.082 0.000 1.701 476 H HN 0.254 nan 8.280 nan 0.000 0.515 477 P HA 0.022 nan 4.420 nan 0.000 0.274 477 P C 0.198 177.696 177.300 0.330 0.000 1.231 477 P CA -0.342 62.819 63.100 0.102 0.000 0.790 477 P CB 1.647 33.213 31.700 -0.223 0.000 0.951 478 V N 4.534 124.633 119.914 0.308 0.000 2.521 478 V HA 0.088 4.208 4.120 0.000 0.000 0.286 478 V C -1.896 174.472 176.094 0.457 0.000 1.034 478 V CA -1.186 61.308 62.300 0.324 0.000 1.045 478 V CB -0.028 31.951 31.823 0.260 0.000 0.974 478 V HN 0.560 nan 8.190 nan 0.000 0.480 479 P HA 0.086 nan 4.420 nan 0.000 0.271 479 P C 0.489 177.944 177.300 0.258 0.000 1.220 479 P CA -0.254 63.049 63.100 0.338 0.000 0.768 479 P CB 0.327 32.061 31.700 0.057 0.000 0.848 480 F N 5.122 125.080 119.950 0.012 0.000 2.234 480 F HA 0.037 4.564 4.527 0.000 0.000 0.299 480 F C 0.606 176.286 175.800 -0.200 0.000 1.087 480 F CA 0.490 58.361 58.000 -0.214 0.000 1.340 480 F CB -0.697 37.762 39.000 -0.901 0.000 1.031 480 F HN 0.154 nan 8.300 nan 0.000 0.500 481 I N -3.111 116.875 120.570 -0.974 0.000 3.095 481 I HA 0.510 4.680 4.170 0.000 0.000 0.310 481 I C -0.265 175.579 176.117 -0.455 0.000 1.196 481 I CA -1.442 59.432 61.300 -0.710 0.000 0.985 481 I CB 1.680 39.101 38.000 -0.966 0.000 1.250 481 I HN -0.283 nan 8.210 nan 0.000 0.446 482 S N 1.873 117.407 115.700 -0.277 0.000 2.552 482 S HA 0.187 4.657 4.470 0.000 0.000 0.289 482 S C 0.173 174.680 174.600 -0.155 0.000 1.304 482 S CA -0.390 57.704 58.200 -0.176 0.000 1.063 482 S CB 0.027 63.155 63.200 -0.121 0.000 0.848 482 S HN 0.446 nan 8.310 nan 0.000 0.499 483 R N 2.777 123.193 120.500 -0.140 0.000 2.594 483 R HA 0.305 4.645 4.340 0.000 0.000 0.272 483 R C -1.996 174.268 176.300 -0.061 0.000 1.074 483 R CA -1.149 54.888 56.100 -0.106 0.000 1.105 483 R CB -0.173 30.015 30.300 -0.186 0.000 1.008 483 R HN 0.454 nan 8.270 nan 0.000 0.472 484 P HA 0.271 nan 4.420 nan 0.000 0.284 484 P C -1.379 175.959 177.300 0.063 0.000 1.258 484 P CA -0.355 62.749 63.100 0.006 0.000 0.824 484 P CB 0.842 32.541 31.700 -0.002 0.000 1.038 485 F N 0.771 120.651 119.950 -0.116 0.000 2.581 485 F HA 0.642 5.169 4.527 0.000 0.000 0.311 485 F C -1.689 174.000 175.800 -0.185 0.000 1.113 485 F CA -0.615 57.284 58.000 -0.169 0.000 0.935 485 F CB 1.869 40.707 39.000 -0.271 0.000 1.232 485 F HN 0.540 nan 8.300 nan 0.000 0.445 486 A N 5.211 127.327 122.820 -1.173 0.000 2.355 486 A HA 0.541 4.861 4.320 0.000 0.000 0.317 486 A C -0.342 176.381 177.584 -1.435 0.000 1.094 486 A CA -0.616 50.835 52.037 -0.978 0.000 0.764 486 A CB 0.471 19.229 19.000 -0.403 0.000 1.230 486 A HN 0.859 nan 8.150 nan 0.000 0.448 487 F N 1.553 120.989 119.950 -0.856 0.000 2.373 487 F HA -0.156 4.371 4.527 0.000 0.000 0.300 487 F C 2.485 178.052 175.800 -0.388 0.000 1.080 487 F CA 1.750 59.392 58.000 -0.597 0.000 1.417 487 F CB 0.076 38.818 39.000 -0.431 0.000 1.070 487 F HN 0.656 nan 8.300 nan 0.000 0.546 488 A N -0.686 122.036 122.820 -0.163 0.000 2.119 488 A HA -0.105 4.215 4.320 0.000 0.000 0.217 488 A C 1.261 178.805 177.584 -0.067 0.000 1.153 488 A CA 0.390 52.375 52.037 -0.086 0.000 0.692 488 A CB -0.523 18.434 19.000 -0.071 0.000 0.799 488 A HN 0.355 nan 8.150 nan 0.000 0.458 489 Q N 0.731 120.455 119.800 -0.127 0.000 2.664 489 Q HA 0.223 4.563 4.340 0.000 0.000 0.223 489 Q C 0.721 176.819 176.000 0.164 0.000 1.298 489 Q CA -0.310 55.490 55.803 -0.005 0.000 0.965 489 Q CB 0.264 28.978 28.738 -0.039 0.000 1.510 489 Q HN 0.508 nan 8.270 nan 0.000 0.567 490 S N 0.442 116.232 115.700 0.149 0.000 2.383 490 S HA -0.202 4.268 4.470 0.000 0.000 0.229 490 S C 2.017 176.752 174.600 0.225 0.000 1.030 490 S CA 1.629 59.968 58.200 0.232 0.000 1.002 490 S CB -0.036 63.251 63.200 0.144 0.000 0.829 490 S HN 0.761 nan 8.310 nan 0.000 0.467 491 S N 1.774 117.558 115.700 0.140 0.000 2.419 491 S HA -0.052 4.418 4.470 0.000 0.000 0.233 491 S C 1.685 176.364 174.600 0.132 0.000 1.016 491 S CA 0.709 58.970 58.200 0.102 0.000 0.974 491 S CB -0.280 62.955 63.200 0.058 0.000 0.786 491 S HN 0.463 nan 8.310 nan 0.000 0.492 492 R N -0.798 119.827 120.500 0.207 0.000 2.189 492 R HA 0.154 4.494 4.340 0.000 0.000 0.203 492 R C 2.086 178.557 176.300 0.285 0.000 1.012 492 R CA 0.631 56.858 56.100 0.212 0.000 1.015 492 R CB -0.263 30.184 30.300 0.246 0.000 0.938 492 R HN 0.675 nan 8.270 nan 0.000 0.472 493 W N 2.757 124.201 121.300 0.240 0.000 2.409 493 W HA -0.111 4.549 4.660 0.000 0.000 0.299 493 W C 1.027 177.719 176.519 0.287 0.000 1.203 493 W CA 1.083 58.592 57.345 0.274 0.000 1.298 493 W CB 0.080 29.742 29.460 0.337 0.000 1.127 493 W HN -0.063 nan 8.180 nan 0.000 0.528 494 K N 0.188 120.639 120.400 0.084 0.000 2.009 494 K HA -0.175 4.145 4.320 0.000 0.000 0.210 494 K C -1.036 175.487 176.600 -0.128 0.000 1.049 494 K CA 1.915 58.160 56.287 -0.070 0.000 0.929 494 K CB -1.502 31.028 32.500 0.051 0.000 0.714 494 K HN 0.122 nan 8.250 nan 0.000 0.440 495 P HA -0.036 nan 4.420 nan 0.000 0.254 495 P C 0.221 177.436 177.300 -0.141 0.000 1.620 495 P CA -0.070 62.956 63.100 -0.123 0.000 1.050 495 P CB -0.577 31.072 31.700 -0.084 0.000 1.539 496 W N 0.004 121.138 121.300 -0.277 0.000 2.425 496 W HA -0.020 4.640 4.660 0.000 0.000 0.277 496 W C 0.392 176.796 176.519 -0.192 0.000 1.231 496 W CA 0.075 57.261 57.345 -0.265 0.000 1.248 496 W CB -1.246 28.025 29.460 -0.316 0.000 1.117 496 W HN -0.149 nan 8.180 nan 0.000 0.568 497 L N 2.194 122.867 121.223 -0.917 0.000 2.622 497 L HA -0.097 4.243 4.340 0.000 0.000 0.233 497 L C 1.939 178.541 176.870 -0.447 0.000 1.156 497 L CA 0.670 54.998 54.840 -0.853 0.000 0.866 497 L CB -0.354 41.312 42.059 -0.656 0.000 0.980 497 L HN -0.016 nan 8.230 nan 0.000 0.448 498 V N -5.229 114.420 119.914 -0.442 0.000 3.380 498 V HA 0.215 4.335 4.120 0.000 0.000 0.307 498 V C 0.778 176.819 176.094 -0.089 0.000 1.434 498 V CA -0.489 61.560 62.300 -0.419 0.000 1.075 498 V CB -0.108 31.293 31.823 -0.703 0.000 0.954 498 V HN 0.108 nan 8.190 nan 0.000 0.444 499 Q N 1.822 121.595 119.800 -0.045 0.000 2.394 499 Q HA 0.254 4.594 4.340 0.000 0.000 0.248 499 Q C -0.266 175.689 176.000 -0.074 0.000 0.992 499 Q CA 0.148 55.958 55.803 0.012 0.000 0.888 499 Q CB 0.992 29.729 28.738 -0.001 0.000 1.257 499 Q HN 0.530 nan 8.270 nan 0.000 0.462 500 D N 1.382 121.587 120.400 -0.324 0.000 2.458 500 D HA -0.063 4.577 4.640 0.000 0.000 0.243 500 D C 0.180 176.320 176.300 -0.266 0.000 1.146 500 D CA 0.243 53.840 54.000 -0.671 0.000 0.877 500 D CB 0.766 41.011 40.800 -0.926 0.000 1.176 500 D HN 0.188 nan 8.370 nan 0.000 0.461 501 Q N 3.248 122.940 119.800 -0.181 0.000 2.246 501 Q HA 0.106 4.446 4.340 0.000 0.000 0.202 501 Q C 1.439 177.402 176.000 -0.061 0.000 0.883 501 Q CA -0.038 55.737 55.803 -0.046 0.000 0.952 501 Q CB 0.238 28.996 28.738 0.032 0.000 1.078 501 Q HN 0.507 nan 8.270 nan 0.000 0.493 502 R N 0.733 121.162 120.500 -0.119 0.000 2.120 502 R HA -0.147 4.193 4.340 0.000 0.000 0.234 502 R C 1.978 178.239 176.300 -0.065 0.000 1.123 502 R CA 1.201 57.246 56.100 -0.092 0.000 0.975 502 R CB 0.138 30.372 30.300 -0.111 0.000 0.866 502 R HN 0.379 nan 8.270 nan 0.000 0.446 503 E N 0.525 120.687 120.200 -0.062 0.000 2.051 503 E HA -0.206 4.144 4.350 0.000 0.000 0.192 503 E C 1.863 178.451 176.600 -0.020 0.000 0.991 503 E CA 1.293 57.667 56.400 -0.043 0.000 0.799 503 E CB -0.037 29.637 29.700 -0.044 0.000 0.748 503 E HN 0.354 nan 8.360 nan 0.000 0.449 504 A N 1.274 124.095 122.820 0.002 0.000 1.902 504 A HA -0.233 4.087 4.320 0.000 0.000 0.217 504 A C 2.068 179.643 177.584 -0.015 0.000 1.181 504 A CA 1.646 53.695 52.037 0.020 0.000 0.623 504 A CB -0.627 18.411 19.000 0.064 0.000 0.818 504 A HN 0.474 nan 8.150 nan 0.000 0.443 505 E N 0.537 120.720 120.200 -0.029 0.000 2.209 505 E HA -0.175 4.175 4.350 0.000 0.000 0.196 505 E C 1.878 178.441 176.600 -0.062 0.000 0.993 505 E CA 1.399 57.768 56.400 -0.052 0.000 0.819 505 E CB -0.101 29.566 29.700 -0.055 0.000 0.745 505 E HN 0.738 nan 8.360 nan 0.000 0.477 506 S N -0.238 115.432 115.700 -0.050 0.000 2.561 506 S HA 0.045 4.515 4.470 0.000 0.000 0.225 506 S C 0.745 175.320 174.600 -0.042 0.000 0.977 506 S CA -0.242 57.928 58.200 -0.050 0.000 0.926 506 S CB -0.045 63.129 63.200 -0.043 0.000 0.769 506 S HN 0.089 nan 8.310 nan 0.000 0.533 507 R N 1.868 122.348 120.500 -0.034 0.000 2.500 507 R HA 0.352 4.692 4.340 0.000 0.000 0.277 507 R C -1.840 174.446 176.300 -0.023 0.000 1.026 507 R CA -1.994 54.094 56.100 -0.020 0.000 1.058 507 R CB 0.328 30.629 30.300 0.001 0.000 1.078 507 R HN 0.118 nan 8.270 nan 0.000 0.509 508 P HA -0.044 nan 4.420 nan 0.000 0.245 508 P C -0.362 176.982 177.300 0.073 0.000 1.206 508 P CA 0.771 63.886 63.100 0.025 0.000 0.781 508 P CB 0.244 31.963 31.700 0.031 0.000 0.994 509 D N -0.453 119.985 120.400 0.063 0.000 2.491 509 D HA 0.135 4.775 4.640 0.000 0.000 0.228 509 D C -0.153 176.079 176.300 -0.112 0.000 1.183 509 D CA -0.793 53.284 54.000 0.127 0.000 0.827 509 D CB -0.263 40.642 40.800 0.174 0.000 0.989 509 D HN -0.069 nan 8.370 nan 0.000 0.494 510 V N 0.404 120.182 119.914 -0.228 0.000 2.733 510 V HA 0.379 4.499 4.120 0.000 0.000 0.306 510 V C -0.190 175.726 176.094 -0.296 0.000 1.084 510 V CA -1.198 60.895 62.300 -0.344 0.000 0.905 510 V CB 2.224 33.959 31.823 -0.146 0.000 1.010 510 V HN 0.172 nan 8.190 nan 0.000 0.424 511 V N 1.245 120.966 119.914 -0.321 0.000 2.483 511 V HA 0.881 5.001 4.120 0.000 0.000 0.295 511 V C -0.124 175.934 176.094 -0.060 0.000 1.035 511 V CA -0.219 62.017 62.300 -0.107 0.000 0.896 511 V CB 1.604 33.480 31.823 0.090 0.000 0.986 511 V HN 0.837 nan 8.190 nan 0.000 0.447 512 T N 4.344 118.802 114.554 -0.160 0.000 2.848 512 T HA 0.711 5.062 4.350 0.000 0.000 0.285 512 T C -1.338 173.218 174.700 -0.240 0.000 0.995 512 T CA -0.131 61.907 62.100 -0.103 0.000 0.970 512 T CB 1.118 69.926 68.868 -0.099 0.000 0.976 512 T HN 0.653 nan 8.240 nan 0.000 0.441 513 Y N 1.617 121.948 120.300 0.052 0.000 2.462 513 Y HA 0.594 5.145 4.550 0.000 0.000 0.346 513 Y C 0.361 176.255 175.900 -0.010 0.000 0.976 513 Y CA -1.124 56.995 58.100 0.033 0.000 1.044 513 Y CB 1.795 40.246 38.460 -0.015 0.000 1.230 513 Y HN 0.689 nan 8.280 nan 0.000 0.455 514 E N -0.511 119.759 120.200 0.117 0.000 2.366 514 E HA 0.520 4.870 4.350 0.000 0.000 0.278 514 E C -1.200 175.406 176.600 0.011 0.000 0.923 514 E CA -1.187 55.238 56.400 0.042 0.000 0.761 514 E CB 1.900 31.617 29.700 0.028 0.000 1.231 514 E HN 0.539 nan 8.360 nan 0.000 0.443 515 T N -0.210 114.328 114.554 -0.027 0.000 2.754 515 T HA 0.213 4.563 4.350 0.000 0.000 0.286 515 T C 0.441 175.143 174.700 0.003 0.000 0.997 515 T CA -0.794 61.285 62.100 -0.035 0.000 0.982 515 T CB 0.801 69.629 68.868 -0.066 0.000 1.027 515 T HN 0.451 nan 8.240 nan 0.000 0.529 516 E N 0.200 120.408 120.200 0.013 0.000 2.410 516 E HA 0.188 4.538 4.350 0.000 0.000 0.255 516 E C 0.341 176.965 176.600 0.041 0.000 1.194 516 E CA -0.388 56.028 56.400 0.027 0.000 0.955 516 E CB 0.910 30.628 29.700 0.031 0.000 0.988 516 E HN 0.637 nan 8.360 nan 0.000 0.461 517 V N 1.748 121.690 119.914 0.047 0.000 2.673 517 V HA 0.029 4.149 4.120 0.000 0.000 0.303 517 V C 0.117 176.257 176.094 0.077 0.000 1.046 517 V CA -0.187 62.153 62.300 0.066 0.000 1.126 517 V CB -0.135 31.723 31.823 0.057 0.000 0.934 517 V HN 0.402 nan 8.190 nan 0.000 0.487 518 L N 5.724 127.011 121.223 0.106 0.000 2.416 518 L HA 0.316 4.656 4.340 0.000 0.000 0.272 518 L C 0.922 177.847 176.870 0.091 0.000 1.161 518 L CA -0.200 54.703 54.840 0.106 0.000 0.845 518 L CB 0.453 42.594 42.059 0.136 0.000 1.119 518 L HN 0.696 nan 8.230 nan 0.000 0.464 519 D N 0.460 120.904 120.400 0.074 0.000 2.301 519 D HA 0.047 4.687 4.640 0.000 0.000 0.206 519 D C 0.265 176.596 176.300 0.051 0.000 0.979 519 D CA 0.960 54.994 54.000 0.058 0.000 0.874 519 D CB 0.591 41.419 40.800 0.047 0.000 0.968 519 D HN 0.421 nan 8.370 nan 0.000 0.510 520 E N 0.685 120.918 120.200 0.055 0.000 2.292 520 E HA 0.318 4.668 4.350 0.000 0.000 0.272 520 E C -2.485 174.147 176.600 0.054 0.000 0.881 520 E CA -1.941 54.484 56.400 0.042 0.000 0.754 520 E CB 2.568 32.284 29.700 0.028 0.000 1.201 520 E HN -0.060 nan 8.360 nan 0.000 0.425 521 P HA 0.089 nan 4.420 nan 0.000 0.272 521 P C -0.300 177.040 177.300 0.068 0.000 1.223 521 P CA -0.373 62.755 63.100 0.045 0.000 0.784 521 P CB 0.670 32.368 31.700 -0.004 0.000 0.923 522 V N 1.123 121.120 119.914 0.139 0.000 2.487 522 V HA 0.552 4.672 4.120 0.000 0.000 0.298 522 V C -0.346 175.864 176.094 0.193 0.000 1.028 522 V CA -0.954 61.437 62.300 0.150 0.000 0.860 522 V CB 1.599 33.539 31.823 0.194 0.000 0.991 522 V HN 0.363 nan 8.190 nan 0.000 0.427 523 R N 3.968 124.527 120.500 0.098 0.000 2.368 523 R HA 0.790 5.130 4.340 0.000 0.000 0.302 523 R C -0.628 175.738 176.300 0.111 0.000 1.002 523 R CA -0.518 55.624 56.100 0.070 0.000 0.929 523 R CB 1.965 32.280 30.300 0.026 0.000 1.073 523 R HN 0.943 nan 8.270 nan 0.000 0.464 524 V N -1.303 118.686 119.914 0.125 0.000 2.735 524 V HA 0.758 4.878 4.120 0.000 0.000 0.310 524 V C -0.550 175.601 176.094 0.094 0.000 1.061 524 V CA -0.673 61.708 62.300 0.135 0.000 0.913 524 V CB 2.073 34.045 31.823 0.248 0.000 1.005 524 V HN 0.703 nan 8.190 nan 0.000 0.428 525 S N 2.249 117.986 115.700 0.061 0.000 2.653 525 S HA 0.852 5.322 4.470 0.000 0.000 0.268 525 S C -0.200 174.389 174.600 -0.018 0.000 1.153 525 S CA 0.709 58.971 58.200 0.102 0.000 1.036 525 S CB 0.567 63.826 63.200 0.099 0.000 1.103 525 S HN 2.621 nan 8.310 nan 0.000 0.466 526 G N 1.551 110.376 108.800 0.042 0.000 2.302 526 G HA2 0.276 4.236 3.960 0.000 0.000 0.264 526 G HA3 0.276 4.236 3.960 0.000 0.000 0.264 526 G C -1.020 173.819 174.900 -0.101 0.000 1.335 526 G CA -0.034 44.905 45.100 -0.268 0.000 0.982 526 G HN 1.814 nan 8.290 nan 0.000 0.473 527 V N -0.080 119.730 119.914 -0.172 0.000 2.347 527 V HA 0.796 4.916 4.120 0.000 0.000 0.280 527 V C -2.376 173.674 176.094 -0.074 0.000 1.021 527 V CA -1.783 60.465 62.300 -0.087 0.000 0.847 527 V CB 1.302 33.065 31.823 -0.100 0.000 0.990 527 V HN 0.653 nan 8.190 nan 0.000 0.444 528 P HA 0.453 nan 4.420 nan 0.000 0.274 528 P C -0.902 176.338 177.300 -0.099 0.000 1.237 528 P CA -0.275 62.792 63.100 -0.056 0.000 0.793 528 P CB 1.241 32.928 31.700 -0.022 0.000 0.977 529 V N 0.757 120.571 119.914 -0.167 0.000 2.588 529 V HA 0.583 4.703 4.120 0.000 0.000 0.304 529 V C 0.040 175.880 176.094 -0.423 0.000 1.042 529 V CA -1.060 61.057 62.300 -0.306 0.000 0.877 529 V CB 1.573 33.194 31.823 -0.338 0.000 0.996 529 V HN 0.675 nan 8.190 nan 0.000 0.425 530 A N 2.600 125.026 122.820 -0.657 0.000 2.354 530 A HA 0.559 4.879 4.320 0.000 0.000 0.281 530 A C -0.264 176.927 177.584 -0.655 0.000 1.174 530 A CA -0.019 51.592 52.037 -0.710 0.000 0.828 530 A CB 0.077 18.384 19.000 -1.155 0.000 1.099 530 A HN 0.841 nan 8.150 nan 0.000 0.516 531 D N 2.529 122.722 120.400 -0.345 0.000 2.462 531 D HA 0.444 5.084 4.640 0.000 0.000 0.249 531 D C -1.159 175.061 176.300 -0.135 0.000 1.117 531 D CA -0.071 53.851 54.000 -0.131 0.000 0.900 531 D CB 0.563 41.404 40.800 0.068 0.000 1.039 531 D HN 0.332 nan 8.370 nan 0.000 0.516 532 L N 3.750 124.846 121.223 -0.211 0.000 2.317 532 L HA 0.619 4.959 4.340 0.000 0.000 0.281 532 L C -1.523 175.207 176.870 -0.233 0.000 1.024 532 L CA -0.460 54.286 54.840 -0.157 0.000 0.810 532 L CB 0.912 42.873 42.059 -0.164 0.000 1.240 532 L HN 0.157 nan 8.230 nan 0.000 0.427 533 F N 5.113 125.087 119.950 0.040 0.000 2.359 533 F HA 0.750 5.277 4.527 0.000 0.000 0.369 533 F C 0.245 176.026 175.800 -0.031 0.000 1.084 533 F CA -0.278 57.735 58.000 0.023 0.000 1.096 533 F CB 1.377 40.371 39.000 -0.009 0.000 1.335 533 F HN 0.624 nan 8.300 nan 0.000 0.457 534 A N 2.005 124.839 122.820 0.024 0.000 2.435 534 A HA 0.962 5.282 4.320 0.000 0.000 0.304 534 A C -1.255 176.332 177.584 0.005 0.000 1.064 534 A CA -0.628 51.314 52.037 -0.158 0.000 0.727 534 A CB 1.329 19.787 19.000 -0.905 0.000 1.284 534 A HN 0.747 nan 8.150 nan 0.000 0.415 535 A N 0.339 123.215 122.820 0.093 0.000 2.384 535 A HA 0.946 5.266 4.320 0.000 0.000 0.312 535 A C -0.179 177.582 177.584 0.296 0.000 1.113 535 A CA -0.239 51.910 52.037 0.187 0.000 0.779 535 A CB 1.669 20.746 19.000 0.128 0.000 1.307 535 A HN 1.567 nan 8.150 nan 0.000 0.436 536 T N -1.010 113.715 114.554 0.286 0.000 2.900 536 T HA 0.459 4.809 4.350 0.000 0.000 0.303 536 T C 0.924 175.704 174.700 0.133 0.000 1.142 536 T CA 0.281 62.519 62.100 0.231 0.000 1.007 536 T CB 1.319 70.343 68.868 0.260 0.000 1.156 536 T HN 1.326 nan 8.240 nan 0.000 0.490 537 S N 1.716 117.464 115.700 0.081 0.000 2.527 537 S HA 0.304 4.774 4.470 0.000 0.000 0.222 537 S C 1.153 175.786 174.600 0.056 0.000 0.985 537 S CA 0.174 58.410 58.200 0.060 0.000 0.921 537 S CB -0.189 63.036 63.200 0.042 0.000 0.772 537 S HN 0.916 nan 8.310 nan 0.000 0.529 538 G N 1.116 109.952 108.800 0.059 0.000 2.531 538 G HA2 0.440 4.400 3.960 0.000 0.000 0.281 538 G HA3 0.440 4.400 3.960 0.000 0.000 0.281 538 G C 0.403 175.348 174.900 0.074 0.000 1.382 538 G CA 0.083 45.215 45.100 0.053 0.000 1.045 538 G HN 0.387 nan 8.290 nan 0.000 0.533 539 T N -2.836 111.764 114.554 0.078 0.000 3.182 539 T HA 0.360 4.710 4.350 0.000 0.000 0.277 539 T C -0.282 174.505 174.700 0.145 0.000 1.013 539 T CA -0.106 62.053 62.100 0.098 0.000 0.900 539 T CB 0.310 69.235 68.868 0.095 0.000 1.098 539 T HN 0.441 nan 8.240 nan 0.000 0.543 540 D N -0.445 120.026 120.400 0.118 0.000 2.694 540 D HA 0.626 5.266 4.640 0.000 0.000 0.260 540 D C -1.603 174.708 176.300 0.018 0.000 1.250 540 D CA -0.161 53.910 54.000 0.118 0.000 0.763 540 D CB 1.931 42.800 40.800 0.115 0.000 1.311 540 D HN 0.041 nan 8.370 nan 0.000 0.420 541 S N 0.267 115.938 115.700 -0.048 0.000 2.683 541 S HA 0.369 4.839 4.470 0.000 0.000 0.278 541 S C -2.136 172.188 174.600 -0.459 0.000 1.059 541 S CA -0.807 57.205 58.200 -0.314 0.000 0.847 541 S CB 1.296 64.170 63.200 -0.544 0.000 1.078 541 S HN 0.394 nan 8.310 nan 0.000 0.456 542 D N 0.509 120.554 120.400 -0.590 0.000 2.198 542 D HA 0.581 5.221 4.640 0.000 0.000 0.247 542 D C -1.293 174.572 176.300 -0.725 0.000 1.010 542 D CA -0.058 53.673 54.000 -0.447 0.000 0.880 542 D CB 0.970 41.657 40.800 -0.187 0.000 1.209 542 D HN 0.438 nan 8.370 nan 0.000 0.451 543 W N 1.181 122.450 121.300 -0.052 0.000 2.499 543 W HA 0.457 5.117 4.660 0.000 0.000 0.320 543 W C -0.836 175.656 176.519 -0.045 0.000 1.010 543 W CA -0.915 56.395 57.345 -0.058 0.000 1.267 543 W CB 1.229 30.587 29.460 -0.170 0.000 1.316 543 W HN -0.069 nan 8.180 nan 0.000 0.431 544 V N 4.588 124.553 119.914 0.085 0.000 2.407 544 V HA 0.508 4.628 4.120 0.000 0.000 0.278 544 V C -0.209 175.869 176.094 -0.027 0.000 1.037 544 V CA -0.892 61.314 62.300 -0.157 0.000 0.900 544 V CB 1.228 32.697 31.823 -0.589 0.000 0.983 544 V HN 0.294 nan 8.190 nan 0.000 0.459 545 V N 5.726 125.667 119.914 0.046 0.000 2.531 545 V HA 0.511 4.631 4.120 0.000 0.000 0.301 545 V C -0.296 175.834 176.094 0.060 0.000 1.034 545 V CA -0.929 61.418 62.300 0.078 0.000 0.865 545 V CB 1.958 33.853 31.823 0.120 0.000 0.995 545 V HN 0.867 nan 8.190 nan 0.000 0.424 546 K N 4.482 124.913 120.400 0.051 0.000 2.376 546 K HA 0.653 4.973 4.320 0.000 0.000 0.257 546 K C -1.304 175.353 176.600 0.095 0.000 0.939 546 K CA -0.846 55.499 56.287 0.098 0.000 0.809 546 K CB 2.666 35.230 32.500 0.108 0.000 1.121 546 K HN 0.446 nan 8.250 nan 0.000 0.425 547 L N 4.764 126.056 121.223 0.116 0.000 2.272 547 L HA 0.518 4.858 4.340 0.000 0.000 0.289 547 L C -1.216 175.759 176.870 0.176 0.000 1.032 547 L CA -0.191 54.720 54.840 0.119 0.000 0.810 547 L CB 0.541 42.671 42.059 0.118 0.000 1.205 547 L HN 0.591 nan 8.230 nan 0.000 0.422 548 I N 3.735 124.418 120.570 0.188 0.000 2.689 548 I HA 0.348 4.518 4.170 0.000 0.000 0.299 548 I C -1.061 175.273 176.117 0.362 0.000 1.059 548 I CA -0.740 60.700 61.300 0.234 0.000 1.055 548 I CB 2.172 40.271 38.000 0.164 0.000 1.243 548 I HN 0.507 nan 8.210 nan 0.000 0.425 549 D N 5.176 125.826 120.400 0.416 0.000 2.373 549 D HA 0.276 4.916 4.640 0.000 0.000 0.227 549 D C -0.850 175.682 176.300 0.388 0.000 1.091 549 D CA -0.266 54.072 54.000 0.564 0.000 0.840 549 D CB 1.376 42.475 40.800 0.498 0.000 1.060 549 D HN 0.073 nan 8.370 nan 0.000 0.502 550 V N 5.365 125.471 119.914 0.319 0.000 2.427 550 V HA 0.101 4.221 4.120 0.000 0.000 0.268 550 V C 0.817 176.976 176.094 0.109 0.000 1.046 550 V CA -0.660 61.752 62.300 0.186 0.000 0.970 550 V CB 0.854 32.747 31.823 0.116 0.000 1.001 550 V HN 0.504 nan 8.190 nan 0.000 0.476 551 Q N 5.592 125.412 119.800 0.034 0.000 2.535 551 Q HA 0.236 4.576 4.340 0.000 0.000 0.228 551 Q C -2.232 173.596 176.000 -0.286 0.000 1.062 551 Q CA -1.898 53.748 55.803 -0.261 0.000 0.967 551 Q CB -0.224 28.466 28.738 -0.080 0.000 1.273 551 Q HN 0.431 nan 8.270 nan 0.000 0.554 552 P HA -0.058 nan 4.420 nan 0.000 0.265 552 P C 0.042 177.294 177.300 -0.080 0.000 1.187 552 P CA 0.517 63.506 63.100 -0.186 0.000 0.766 552 P CB 0.400 32.017 31.700 -0.139 0.000 0.820 553 A N 3.933 126.730 122.820 -0.039 0.000 1.940 553 A HA -0.180 4.140 4.320 0.000 0.000 0.221 553 A C 0.972 178.548 177.584 -0.013 0.000 1.190 553 A CA 1.854 53.881 52.037 -0.017 0.000 0.647 553 A CB -0.684 18.312 19.000 -0.007 0.000 0.821 553 A HN 0.503 nan 8.150 nan 0.000 0.457 554 M N -0.459 119.131 119.600 -0.016 0.000 2.395 554 M HA 0.334 4.814 4.480 0.000 0.000 0.307 554 M C -0.803 175.486 176.300 -0.018 0.000 1.091 554 M CA -0.083 55.210 55.300 -0.012 0.000 0.919 554 M CB 1.689 34.285 32.600 -0.006 0.000 1.662 554 M HN 0.276 nan 8.290 nan 0.000 0.440 555 T N -0.988 113.556 114.554 -0.017 0.000 3.241 555 T HA 0.403 4.753 4.350 0.000 0.000 0.387 555 T C -2.054 172.637 174.700 -0.015 0.000 1.451 555 T CA -1.384 60.705 62.100 -0.019 0.000 1.363 555 T CB 0.502 69.352 68.868 -0.031 0.000 1.074 555 T HN 0.373 nan 8.240 nan 0.000 0.598 556 P HA -0.060 nan 4.420 nan 0.000 0.221 556 P C 0.538 177.832 177.300 -0.010 0.000 1.145 556 P CA 0.973 64.068 63.100 -0.008 0.000 0.795 556 P CB 0.249 31.947 31.700 -0.004 0.000 0.775 557 D N -0.795 119.598 120.400 -0.012 0.000 2.347 557 D HA -0.029 4.611 4.640 0.000 0.000 0.215 557 D C 0.333 176.620 176.300 -0.023 0.000 0.976 557 D CA 1.139 55.130 54.000 -0.014 0.000 0.884 557 D CB -0.153 40.640 40.800 -0.012 0.000 0.915 557 D HN 0.196 nan 8.370 nan 0.000 0.526 558 D N -1.301 119.082 120.400 -0.028 0.000 2.934 558 D HA 0.124 4.764 4.640 0.000 0.000 0.249 558 D C -2.125 174.155 176.300 -0.034 0.000 1.293 558 D CA -1.549 52.428 54.000 -0.039 0.000 0.812 558 D CB 1.049 41.813 40.800 -0.060 0.000 1.439 558 D HN -0.240 nan 8.370 nan 0.000 0.555 559 P HA -0.223 nan 4.420 nan 0.000 0.218 559 P C 1.265 178.562 177.300 -0.004 0.000 1.150 559 P CA 1.534 64.626 63.100 -0.012 0.000 0.841 559 P CB 0.101 31.795 31.700 -0.010 0.000 0.784 560 K N -1.200 119.196 120.400 -0.007 0.000 2.280 560 K HA -0.057 4.263 4.320 0.000 0.000 0.202 560 K C 1.442 178.073 176.600 0.050 0.000 1.047 560 K CA 1.237 57.534 56.287 0.017 0.000 0.942 560 K CB -0.549 31.955 32.500 0.007 0.000 0.739 560 K HN 0.065 nan 8.250 nan 0.000 0.457 561 M N 1.612 121.211 119.600 -0.001 0.000 2.618 561 M HA 0.111 4.591 4.480 0.000 0.000 0.240 561 M C 0.676 177.010 176.300 0.058 0.000 1.123 561 M CA 0.207 55.503 55.300 -0.007 0.000 1.060 561 M CB -0.331 32.186 32.600 -0.138 0.000 1.535 561 M HN 0.217 nan 8.290 nan 0.000 0.507 562 G N 0.449 109.272 108.800 0.038 0.000 2.298 562 G HA2 0.321 4.281 3.960 0.000 0.000 0.263 562 G HA3 0.321 4.281 3.960 0.000 0.000 0.263 562 G C 1.115 176.040 174.900 0.042 0.000 1.229 562 G CA 0.413 45.526 45.100 0.022 0.000 0.976 562 G HN 0.700 nan 8.290 nan 0.000 0.459 563 G N 1.752 110.570 108.800 0.029 0.000 2.168 563 G HA2 -0.321 3.639 3.960 0.000 0.000 0.263 563 G HA3 -0.321 3.639 3.960 0.000 0.000 0.263 563 G C 0.456 175.399 174.900 0.071 0.000 0.977 563 G CA 0.606 45.726 45.100 0.032 0.000 0.659 563 G HN 1.097 nan 8.290 nan 0.000 0.533 564 Y N 1.653 121.938 120.300 -0.025 0.000 2.717 564 Y HA 0.351 4.901 4.550 0.000 0.000 0.330 564 Y C 0.788 176.695 175.900 0.012 0.000 1.217 564 Y CA 0.652 58.745 58.100 -0.013 0.000 1.506 564 Y CB 0.490 38.937 38.460 -0.023 0.000 1.268 564 Y HN 0.330 nan 8.280 nan 0.000 0.561 565 E N 6.890 127.021 120.200 -0.114 0.000 1.998 565 E HA 0.153 4.503 4.350 0.000 0.000 0.257 565 E C -1.303 175.330 176.600 0.055 0.000 1.038 565 E CA -0.615 55.790 56.400 0.007 0.000 0.869 565 E CB 0.486 30.164 29.700 -0.037 0.000 1.135 565 E HN 0.415 nan 8.360 nan 0.000 0.430 566 L N 4.979 126.371 121.223 0.280 0.000 2.278 566 L HA 0.311 4.651 4.340 0.000 0.000 0.287 566 L C -2.548 174.451 176.870 0.216 0.000 1.072 566 L CA -2.040 52.985 54.840 0.308 0.000 0.819 566 L CB 0.337 42.587 42.059 0.318 0.000 1.176 566 L HN 0.151 nan 8.230 nan 0.000 0.435 567 P HA 0.090 nan 4.420 nan 0.000 0.276 567 P C 0.497 177.975 177.300 0.297 0.000 1.243 567 P CA -0.227 62.997 63.100 0.207 0.000 0.768 567 P CB 1.103 32.914 31.700 0.186 0.000 0.856 568 V N 0.567 120.609 119.914 0.213 0.000 3.431 568 V HA 0.283 4.403 4.120 0.000 0.000 0.253 568 V C 0.524 176.646 176.094 0.048 0.000 1.184 568 V CA 0.527 62.898 62.300 0.119 0.000 1.104 568 V CB -0.022 31.703 31.823 -0.163 0.000 0.799 568 V HN 0.549 nan 8.190 nan 0.000 0.462 569 S N 1.168 116.939 115.700 0.118 0.000 2.590 569 S HA 0.728 5.198 4.470 0.000 0.000 0.286 569 S C -0.989 173.717 174.600 0.176 0.000 1.147 569 S CA -0.658 57.608 58.200 0.109 0.000 0.963 569 S CB 1.083 64.323 63.200 0.066 0.000 1.124 569 S HN 0.607 nan 8.310 nan 0.000 0.458 570 M N 2.803 122.550 119.600 0.244 0.000 2.531 570 M HA 0.794 5.274 4.480 0.000 0.000 0.286 570 M C -1.672 174.908 176.300 0.467 0.000 1.232 570 M CA -0.747 54.751 55.300 0.330 0.000 0.877 570 M CB 2.258 35.094 32.600 0.394 0.000 1.726 570 M HN 0.486 nan 8.290 nan 0.000 0.463 571 D N 0.730 121.396 120.400 0.444 0.000 2.671 571 D HA 0.631 5.271 4.640 0.000 0.000 0.273 571 D C -2.026 174.511 176.300 0.394 0.000 1.264 571 D CA -0.398 53.946 54.000 0.573 0.000 0.788 571 D CB 3.141 44.323 40.800 0.636 0.000 1.324 571 D HN 0.842 nan 8.370 nan 0.000 0.424 572 I N 1.119 121.915 120.570 0.376 0.000 2.603 572 I HA 0.627 4.797 4.170 0.000 0.000 0.300 572 I C -1.471 174.716 176.117 0.117 0.000 1.017 572 I CA -0.899 60.468 61.300 0.112 0.000 1.098 572 I CB 1.521 39.453 38.000 -0.114 0.000 1.279 572 I HN 0.280 nan 8.210 nan 0.000 0.437 573 F N 6.742 126.558 119.950 -0.223 0.000 2.536 573 F HA 0.500 5.027 4.527 0.000 0.000 0.322 573 F C -0.406 175.342 175.800 -0.087 0.000 1.144 573 F CA -0.753 57.041 58.000 -0.342 0.000 0.924 573 F CB 1.169 39.519 39.000 -1.083 0.000 1.181 573 F HN 0.397 nan 8.300 nan 0.000 0.438 574 R N 4.041 124.360 120.500 -0.302 0.000 2.210 574 R HA 0.312 4.652 4.340 0.000 0.000 0.338 574 R C 1.279 177.648 176.300 0.116 0.000 1.062 574 R CA 0.533 56.615 56.100 -0.031 0.000 0.902 574 R CB 0.795 31.152 30.300 0.095 0.000 1.050 574 R HN 0.973 nan 8.270 nan 0.000 0.461 575 G N 5.042 114.018 108.800 0.294 0.000 2.503 575 G HA2 -0.383 3.578 3.960 0.000 0.000 0.221 575 G HA3 -0.383 3.578 3.960 0.000 0.000 0.221 575 G C 1.232 176.369 174.900 0.395 0.000 1.131 575 G CA 1.022 46.459 45.100 0.562 0.000 0.756 575 G HN 0.800 nan 8.290 nan 0.000 0.572 576 R N -0.571 119.989 120.500 0.101 0.000 2.249 576 R HA -0.068 4.272 4.340 0.000 0.000 0.230 576 R C 1.098 177.320 176.300 -0.131 0.000 1.121 576 R CA 1.233 57.309 56.100 -0.040 0.000 0.997 576 R CB -0.579 29.639 30.300 -0.136 0.000 0.867 576 R HN 0.500 nan 8.270 nan 0.000 0.465 577 Y N 0.465 120.915 120.300 0.250 0.000 2.571 577 Y HA 0.297 4.847 4.550 0.000 0.000 0.275 577 Y C 2.184 178.205 175.900 0.203 0.000 1.179 577 Y CA -0.662 57.557 58.100 0.199 0.000 1.242 577 Y CB 0.119 38.739 38.460 0.266 0.000 1.126 577 Y HN -0.021 nan 8.280 nan 0.000 0.524 578 R N 1.183 121.931 120.500 0.412 0.000 2.103 578 R HA -0.197 4.143 4.340 0.000 0.000 0.242 578 R C 1.529 177.838 176.300 0.015 0.000 1.142 578 R CA 1.906 58.172 56.100 0.277 0.000 0.960 578 R CB 0.131 30.455 30.300 0.041 0.000 0.858 578 R HN 0.307 nan 8.270 nan 0.000 0.439 579 K N -1.314 119.081 120.400 -0.009 0.000 2.166 579 K HA 0.011 4.331 4.320 0.000 0.000 0.201 579 K C -0.058 176.497 176.600 -0.075 0.000 1.052 579 K CA 0.602 56.855 56.287 -0.058 0.000 0.969 579 K CB 0.332 32.809 32.500 -0.039 0.000 0.761 579 K HN 0.050 nan 8.250 nan 0.000 0.459 580 D N -1.459 118.917 120.400 -0.040 0.000 2.977 580 D HA 0.114 4.754 4.640 0.000 0.000 0.220 580 D C -0.221 176.132 176.300 0.089 0.000 1.267 580 D CA -0.536 53.451 54.000 -0.022 0.000 0.884 580 D CB 0.960 41.792 40.800 0.055 0.000 1.667 580 D HN -0.213 nan 8.370 nan 0.000 0.536 581 F N 1.783 121.858 119.950 0.209 0.000 2.407 581 F HA 0.121 4.648 4.527 0.000 0.000 0.299 581 F C 2.322 178.125 175.800 0.006 0.000 1.097 581 F CA 0.923 58.981 58.000 0.098 0.000 1.422 581 F CB -0.209 38.709 39.000 -0.137 0.000 1.067 581 F HN 0.487 nan 8.300 nan 0.000 0.539 582 A N -1.334 121.628 122.820 0.238 0.000 2.195 582 A HA 0.103 4.423 4.320 0.000 0.000 0.210 582 A C 0.921 178.613 177.584 0.180 0.000 1.165 582 A CA 0.417 52.535 52.037 0.136 0.000 0.806 582 A CB 0.003 19.052 19.000 0.083 0.000 0.847 582 A HN -0.065 nan 8.150 nan 0.000 0.482 583 K N 1.465 121.999 120.400 0.223 0.000 2.687 583 K HA 0.299 4.619 4.320 0.000 0.000 0.197 583 K C -3.186 173.534 176.600 0.200 0.000 1.049 583 K CA -1.859 54.538 56.287 0.184 0.000 1.030 583 K CB 1.478 34.044 32.500 0.109 0.000 1.261 583 K HN 0.191 nan 8.250 nan 0.000 0.565 584 P HA 0.139 nan 4.420 nan 0.000 0.268 584 P C -0.549 176.829 177.300 0.130 0.000 1.205 584 P CA 0.104 63.293 63.100 0.149 0.000 0.771 584 P CB 1.230 33.001 31.700 0.118 0.000 0.858 585 E N 0.213 120.395 120.200 -0.029 0.000 2.356 585 E HA 0.535 4.885 4.350 0.000 0.000 0.275 585 E C -0.730 175.527 176.600 -0.571 0.000 0.904 585 E CA -1.093 55.096 56.400 -0.352 0.000 0.757 585 E CB 2.473 32.060 29.700 -0.187 0.000 1.232 585 E HN 0.492 nan 8.360 nan 0.000 0.442 586 A N 2.747 124.916 122.820 -1.085 0.000 2.425 586 A HA 0.346 4.666 4.320 0.000 0.000 0.242 586 A C -0.215 177.229 177.584 -0.234 0.000 1.077 586 A CA -0.042 51.563 52.037 -0.720 0.000 0.781 586 A CB 0.203 18.796 19.000 -0.679 0.000 1.020 586 A HN 0.524 nan 8.150 nan 0.000 0.494 587 L N 0.611 121.806 121.223 -0.047 0.000 2.357 587 L HA 0.322 4.662 4.340 0.000 0.000 0.273 587 L C 0.416 177.298 176.870 0.020 0.000 1.080 587 L CA -0.705 54.157 54.840 0.038 0.000 0.803 587 L CB 1.113 43.270 42.059 0.164 0.000 1.174 587 L HN 0.795 nan 8.230 nan 0.000 0.443 588 Q N 3.926 123.739 119.800 0.022 0.000 2.307 588 Q HA 0.225 4.565 4.340 0.000 0.000 0.261 588 Q C -2.362 173.667 176.000 0.049 0.000 1.051 588 Q CA -1.471 54.343 55.803 0.017 0.000 0.911 588 Q CB 0.768 29.509 28.738 0.005 0.000 1.227 588 Q HN 0.146 nan 8.270 nan 0.000 0.418 589 P HA -0.016 nan 4.420 nan 0.000 0.267 589 P C -0.604 176.730 177.300 0.056 0.000 1.200 589 P CA 0.265 63.400 63.100 0.059 0.000 0.772 589 P CB 0.536 32.263 31.700 0.044 0.000 0.855 590 D N -1.780 118.662 120.400 0.070 0.000 3.067 590 D HA -0.217 4.423 4.640 0.000 0.000 0.216 590 D C 0.153 176.486 176.300 0.055 0.000 1.162 590 D CA 1.686 55.724 54.000 0.062 0.000 0.960 590 D CB -1.429 39.397 40.800 0.044 0.000 1.129 590 D HN 0.537 nan 8.370 nan 0.000 0.408 591 A N 0.387 123.241 122.820 0.057 0.000 2.290 591 A HA 0.519 4.839 4.320 0.000 0.000 0.310 591 A C 0.506 178.124 177.584 0.057 0.000 1.202 591 A CA -0.147 51.913 52.037 0.039 0.000 0.837 591 A CB 0.870 19.884 19.000 0.024 0.000 1.139 591 A HN -0.014 nan 8.150 nan 0.000 0.509 592 T N 3.935 118.510 114.554 0.034 0.000 2.738 592 T HA 0.407 4.757 4.350 0.000 0.000 0.293 592 T C -0.040 174.693 174.700 0.055 0.000 0.913 592 T CA 0.568 62.699 62.100 0.051 0.000 1.103 592 T CB -0.624 68.239 68.868 -0.008 0.000 0.880 592 T HN 0.413 nan 8.240 nan 0.000 0.526 593 L N 2.847 124.095 121.223 0.042 0.000 2.334 593 L HA 0.452 4.792 4.340 0.000 0.000 0.273 593 L C 0.483 177.228 176.870 -0.208 0.000 1.013 593 L CA -1.086 53.693 54.840 -0.102 0.000 0.816 593 L CB 1.649 43.566 42.059 -0.235 0.000 1.278 593 L HN 0.627 nan 8.230 nan 0.000 0.431 594 H N 1.806 120.607 119.070 -0.448 0.000 2.604 594 H HA 0.341 4.897 4.556 0.000 0.000 0.306 594 H C -1.571 173.339 175.328 -0.696 0.000 1.075 594 H CA -0.483 55.186 56.048 -0.632 0.000 1.357 594 H CB 0.712 30.182 29.762 -0.487 0.000 1.426 594 H HN 0.404 nan 8.280 nan 0.000 0.470 595 Y N 3.084 123.066 120.300 -0.531 0.000 2.393 595 Y HA 0.210 4.760 4.550 0.000 0.000 0.341 595 Y C -0.404 175.177 175.900 -0.531 0.000 0.988 595 Y CA -0.825 56.962 58.100 -0.521 0.000 1.078 595 Y CB 1.576 39.788 38.460 -0.414 0.000 1.203 595 Y HN 0.687 nan 8.280 nan 0.000 0.453 596 H N 4.423 123.236 119.070 -0.428 0.000 3.108 596 H HA 0.554 5.110 4.556 0.000 0.000 0.329 596 H C -1.751 173.502 175.328 -0.126 0.000 0.978 596 H CA -1.105 54.718 56.048 -0.375 0.000 1.413 596 H CB 0.538 30.025 29.762 -0.457 0.000 1.670 596 H HN 0.507 nan 8.280 nan 0.000 0.512 597 F N 1.202 120.893 119.950 -0.431 0.000 2.641 597 F HA 0.496 5.023 4.527 0.000 0.000 0.308 597 F C -0.647 175.107 175.800 -0.077 0.000 1.105 597 F CA -1.142 56.730 58.000 -0.213 0.000 0.964 597 F CB 0.874 39.643 39.000 -0.385 0.000 1.294 597 F HN 0.385 nan 8.300 nan 0.000 0.442 598 T N 1.206 115.922 114.554 0.270 0.000 2.913 598 T HA 0.646 4.996 4.350 0.000 0.000 0.297 598 T C -0.357 174.571 174.700 0.381 0.000 1.029 598 T CA -0.516 61.713 62.100 0.216 0.000 1.104 598 T CB 1.007 70.034 68.868 0.266 0.000 0.964 598 T HN 0.713 nan 8.240 nan 0.000 0.532 599 L N 2.392 123.731 121.223 0.193 0.000 2.313 599 L HA 0.538 4.878 4.340 0.000 0.000 0.268 599 L C -2.230 174.738 176.870 0.163 0.000 1.010 599 L CA -3.122 51.856 54.840 0.229 0.000 0.814 599 L CB 1.572 43.703 42.059 0.119 0.000 1.304 599 L HN 0.426 nan 8.230 nan 0.000 0.441 600 P HA -0.004 nan 4.420 nan 0.000 0.267 600 P C -0.763 176.548 177.300 0.018 0.000 1.201 600 P CA -0.133 63.017 63.100 0.084 0.000 0.775 600 P CB 0.429 32.172 31.700 0.072 0.000 0.854 601 A N 2.302 125.114 122.820 -0.013 0.000 2.445 601 A HA 0.445 4.765 4.320 0.000 0.000 0.242 601 A C 0.187 177.737 177.584 -0.057 0.000 1.075 601 A CA 0.019 52.059 52.037 0.004 0.000 0.777 601 A CB -0.305 18.739 19.000 0.073 0.000 1.013 601 A HN 0.458 nan 8.150 nan 0.000 0.493 602 V N -0.504 119.408 119.914 -0.004 0.000 2.914 602 V HA 0.854 4.974 4.120 0.000 0.000 0.314 602 V C -0.609 175.498 176.094 0.023 0.000 1.084 602 V CA -0.883 61.386 62.300 -0.053 0.000 0.963 602 V CB 2.187 34.005 31.823 -0.008 0.000 1.025 602 V HN 0.879 nan 8.190 nan 0.000 0.432 603 N N 0.900 119.580 118.700 -0.034 0.000 2.751 603 N HA 0.408 5.148 4.740 0.000 0.000 0.234 603 N C -1.233 174.271 175.510 -0.010 0.000 1.403 603 N CA -0.153 52.905 53.050 0.012 0.000 0.747 603 N CB 0.459 38.921 38.487 -0.042 0.000 1.326 603 N HN 1.132 nan 8.380 nan 0.000 0.532 604 H N -0.223 118.761 119.070 -0.143 0.000 2.941 604 H HA 0.795 5.351 4.556 0.000 0.000 0.344 604 H C -1.382 173.809 175.328 -0.229 0.000 1.235 604 H CA -0.666 55.237 56.048 -0.241 0.000 1.149 604 H CB 1.740 31.282 29.762 -0.367 0.000 1.885 604 H HN -0.054 nan 8.280 nan 0.000 0.558 605 V N 2.696 122.048 119.914 -0.935 0.000 2.569 605 V HA 0.243 4.363 4.120 0.000 0.000 0.301 605 V C -1.065 174.543 176.094 -0.811 0.000 1.044 605 V CA -0.637 61.312 62.300 -0.585 0.000 0.874 605 V CB 1.240 32.846 31.823 -0.361 0.000 1.002 605 V HN 0.579 nan 8.190 nan 0.000 0.424 606 F N 3.964 123.772 119.950 -0.236 0.000 2.405 606 F HA 0.653 5.180 4.527 0.000 0.000 0.358 606 F C 1.022 176.691 175.800 -0.218 0.000 1.151 606 F CA -0.110 57.800 58.000 -0.149 0.000 1.161 606 F CB 0.810 39.851 39.000 0.068 0.000 1.245 606 F HN 0.604 nan 8.300 nan 0.000 0.545 607 A N 4.151 126.749 122.820 -0.371 0.000 2.292 607 A HA 0.342 4.662 4.320 0.000 0.000 0.265 607 A C 0.461 178.042 177.584 -0.005 0.000 1.133 607 A CA -0.741 51.151 52.037 -0.241 0.000 0.807 607 A CB 0.359 19.147 19.000 -0.354 0.000 1.102 607 A HN 0.670 nan 8.150 nan 0.000 0.502 608 K N -0.653 119.781 120.400 0.056 0.000 2.485 608 K HA 0.329 4.649 4.320 0.000 0.000 0.277 608 K C 1.131 177.867 176.600 0.225 0.000 0.990 608 K CA 1.099 57.458 56.287 0.120 0.000 0.994 608 K CB 0.118 32.664 32.500 0.077 0.000 0.906 608 K HN 1.367 nan 8.250 nan 0.000 0.488 609 G N 1.480 110.395 108.800 0.191 0.000 2.253 609 G HA2 -0.245 3.715 3.960 0.000 0.000 0.251 609 G HA3 -0.245 3.715 3.960 0.000 0.000 0.251 609 G C 0.160 175.165 174.900 0.175 0.000 0.998 609 G CA -0.124 45.075 45.100 0.165 0.000 0.621 609 G HN 0.763 nan 8.290 nan 0.000 0.524 610 H N 0.162 119.294 119.070 0.104 0.000 2.490 610 H HA 0.684 5.240 4.556 0.000 0.000 0.354 610 H C 0.546 175.953 175.328 0.131 0.000 1.365 610 H CA -0.214 55.919 56.048 0.142 0.000 1.413 610 H CB 0.839 30.728 29.762 0.211 0.000 1.631 610 H HN 0.237 nan 8.280 nan 0.000 0.607 611 R N 0.222 120.883 120.500 0.268 0.000 2.837 611 R HA 0.448 4.788 4.340 0.000 0.000 0.271 611 R C -0.831 175.551 176.300 0.137 0.000 0.993 611 R CA -0.815 55.374 56.100 0.149 0.000 0.931 611 R CB 1.998 32.350 30.300 0.087 0.000 1.206 611 R HN 0.395 nan 8.270 nan 0.000 0.474 612 I N 2.129 122.671 120.570 -0.046 0.000 2.437 612 I HA 0.439 4.609 4.170 0.000 0.000 0.298 612 I C -0.116 175.955 176.117 -0.077 0.000 0.984 612 I CA -0.468 60.699 61.300 -0.222 0.000 1.214 612 I CB 1.676 39.337 38.000 -0.564 0.000 1.365 612 I HN 0.418 nan 8.210 nan 0.000 0.469 613 M N 6.280 125.875 119.600 -0.010 0.000 2.501 613 M HA 0.660 5.140 4.480 0.000 0.000 0.293 613 M C -2.083 174.245 176.300 0.048 0.000 1.192 613 M CA -0.577 54.745 55.300 0.037 0.000 0.886 613 M CB 2.302 34.945 32.600 0.071 0.000 1.710 613 M HN 0.312 nan 8.290 nan 0.000 0.457 614 V N 3.632 123.592 119.914 0.077 0.000 2.656 614 V HA 0.513 4.633 4.120 0.000 0.000 0.307 614 V C -0.979 175.204 176.094 0.149 0.000 1.051 614 V CA -0.542 61.809 62.300 0.086 0.000 0.893 614 V CB 2.110 33.950 31.823 0.028 0.000 0.999 614 V HN 0.881 nan 8.190 nan 0.000 0.426 615 Q N 3.872 123.735 119.800 0.105 0.000 2.356 615 Q HA 0.710 5.051 4.340 0.000 0.000 0.270 615 Q C -1.441 174.595 176.000 0.059 0.000 1.058 615 Q CA -0.539 55.314 55.803 0.083 0.000 0.802 615 Q CB 3.116 31.877 28.738 0.039 0.000 1.303 615 Q HN 0.637 nan 8.270 nan 0.000 0.444 616 I N 2.607 123.209 120.570 0.053 0.000 2.545 616 I HA 0.367 4.537 4.170 0.000 0.000 0.292 616 I C -0.404 175.648 176.117 -0.109 0.000 1.040 616 I CA -0.529 60.802 61.300 0.051 0.000 1.068 616 I CB 1.872 39.985 38.000 0.189 0.000 1.251 616 I HN 0.630 nan 8.210 nan 0.000 0.424 617 Q N 2.891 122.662 119.800 -0.048 0.000 2.693 617 Q HA 0.561 4.901 4.340 0.000 0.000 0.306 617 Q C -1.217 174.837 176.000 0.090 0.000 0.969 617 Q CA -0.889 54.860 55.803 -0.090 0.000 0.757 617 Q CB 1.998 30.656 28.738 -0.135 0.000 1.494 617 Q HN 0.407 nan 8.270 nan 0.000 0.459 618 S N 0.013 115.777 115.700 0.107 0.000 2.819 618 S HA 0.276 4.746 4.470 0.000 0.000 0.249 618 S C -0.691 173.905 174.600 -0.007 0.000 1.030 618 S CA 0.263 58.445 58.200 -0.031 0.000 1.052 618 S CB 0.581 63.705 63.200 -0.127 0.000 1.017 618 S HN 0.628 nan 8.310 nan 0.000 0.576 619 S N -0.076 115.670 115.700 0.076 0.000 2.556 619 S HA 0.763 5.233 4.470 0.000 0.000 0.271 619 S C -2.031 172.782 174.600 0.354 0.000 1.135 619 S CA -0.645 57.668 58.200 0.189 0.000 0.858 619 S CB 1.720 65.023 63.200 0.171 0.000 1.114 619 S HN 0.240 nan 8.310 nan 0.000 0.468 620 W N 2.407 123.861 121.300 0.257 0.000 1.582 620 W HA 0.486 5.146 4.660 0.000 0.000 0.315 620 W C -2.112 174.593 176.519 0.311 0.000 0.995 620 W CA -1.669 55.858 57.345 0.303 0.000 1.145 620 W CB 0.680 30.318 29.460 0.296 0.000 1.208 620 W HN 0.687 nan 8.180 nan 0.000 0.346 621 F N 5.022 125.167 119.950 0.324 0.000 2.432 621 F HA 0.640 5.167 4.527 0.000 0.000 0.329 621 F C -1.213 174.749 175.800 0.269 0.000 1.076 621 F CA -2.572 55.522 58.000 0.156 0.000 1.018 621 F CB 1.764 40.817 39.000 0.088 0.000 1.201 621 F HN -0.087 nan 8.300 nan 0.000 0.489 622 P HA -0.006 nan 4.420 nan 0.000 0.257 622 P C 1.437 178.171 177.300 -0.944 0.000 1.281 622 P CA 0.329 62.533 63.100 -1.493 0.000 0.826 622 P CB 0.211 31.093 31.700 -1.364 0.000 1.237 623 L N -0.301 120.355 121.223 -0.945 0.000 2.043 623 L HA -0.057 4.283 4.340 0.000 0.000 0.212 623 L C 0.272 176.511 176.870 -1.052 0.000 1.075 623 L CA 1.753 55.877 54.840 -1.193 0.000 0.752 623 L CB -1.200 39.615 42.059 -2.073 0.000 0.891 623 L HN -0.119 nan 8.230 nan 0.000 0.432 624 Y N 0.533 120.576 120.300 -0.428 0.000 2.377 624 Y HA 0.329 4.880 4.550 0.000 0.000 0.339 624 Y C 0.082 175.988 175.900 0.010 0.000 1.011 624 Y CA -1.980 56.003 58.100 -0.194 0.000 1.093 624 Y CB 0.587 39.044 38.460 -0.005 0.000 1.201 624 Y HN 0.192 nan 8.280 nan 0.000 0.455 625 D N 2.202 122.745 120.400 0.238 0.000 2.400 625 D HA 0.044 4.684 4.640 0.000 0.000 0.238 625 D C -0.337 176.196 176.300 0.388 0.000 1.157 625 D CA -0.334 53.892 54.000 0.377 0.000 0.889 625 D CB 0.722 41.790 40.800 0.447 0.000 1.199 625 D HN 0.481 nan 8.370 nan 0.000 0.436 626 R N 1.002 121.744 120.500 0.402 0.000 2.543 626 R HA 0.149 4.490 4.340 0.000 0.000 0.277 626 R C 0.601 177.053 176.300 0.255 0.000 1.074 626 R CA -0.575 55.689 56.100 0.273 0.000 1.076 626 R CB 0.324 30.708 30.300 0.140 0.000 0.993 626 R HN 0.474 nan 8.270 nan 0.000 0.459 627 N N 3.108 121.893 118.700 0.143 0.000 2.444 627 N HA 0.084 4.824 4.740 0.000 0.000 0.271 627 N C -1.922 173.606 175.510 0.031 0.000 1.069 627 N CA -1.895 51.182 53.050 0.045 0.000 0.965 627 N CB 1.457 39.929 38.487 -0.026 0.000 1.092 627 N HN 0.251 nan 8.380 nan 0.000 0.476 628 P HA -0.076 nan 4.420 nan 0.000 0.220 628 P C -0.298 176.937 177.300 -0.109 0.000 1.148 628 P CA 1.115 64.035 63.100 -0.301 0.000 0.803 628 P CB 0.254 31.593 31.700 -0.602 0.000 0.782 629 Q N -3.299 116.455 119.800 -0.077 0.000 2.431 629 Q HA -0.187 4.153 4.340 0.000 0.000 0.230 629 Q C 0.127 176.119 176.000 -0.013 0.000 0.701 629 Q CA 0.769 56.549 55.803 -0.039 0.000 1.290 629 Q CB -1.677 27.045 28.738 -0.027 0.000 1.362 629 Q HN 0.304 nan 8.270 nan 0.000 0.762 630 K N 0.350 120.729 120.400 -0.035 0.000 2.471 630 K HA 0.425 4.746 4.320 0.000 0.000 0.252 630 K C -1.193 175.416 176.600 0.014 0.000 0.938 630 K CA -0.745 55.542 56.287 0.000 0.000 0.796 630 K CB 0.957 33.434 32.500 -0.038 0.000 1.161 630 K HN -0.001 nan 8.250 nan 0.000 0.425 631 F N 5.699 125.618 119.950 -0.052 0.000 2.541 631 F HA 0.199 4.726 4.527 0.000 0.000 0.378 631 F C -0.382 175.384 175.800 -0.056 0.000 1.068 631 F CA 0.107 58.075 58.000 -0.055 0.000 1.199 631 F CB 0.532 39.510 39.000 -0.037 0.000 1.091 631 F HN 0.231 nan 8.300 nan 0.000 0.555 632 V N 4.893 124.429 119.914 -0.629 0.000 2.864 632 V HA 0.526 4.646 4.120 0.000 0.000 0.314 632 V C -2.183 173.500 176.094 -0.686 0.000 1.073 632 V CA -1.949 60.076 62.300 -0.459 0.000 0.956 632 V CB 1.474 33.132 31.823 -0.274 0.000 1.023 632 V HN 0.531 nan 8.190 nan 0.000 0.435 633 P HA -0.102 nan 4.420 nan 0.000 0.215 633 P C 0.174 177.317 177.300 -0.262 0.000 1.157 633 P CA 1.558 64.484 63.100 -0.289 0.000 0.874 633 P CB 0.098 31.731 31.700 -0.111 0.000 0.790 634 N N -1.348 117.232 118.700 -0.200 0.000 2.519 634 N HA 0.176 4.916 4.740 0.000 0.000 0.286 634 N C 0.623 176.053 175.510 -0.134 0.000 1.079 634 N CA -0.391 52.571 53.050 -0.147 0.000 0.878 634 N CB 0.769 39.196 38.487 -0.099 0.000 1.375 634 N HN -0.203 nan 8.380 nan 0.000 0.514 635 I N 2.283 122.740 120.570 -0.189 0.000 2.335 635 I HA -0.238 3.932 4.170 0.000 0.000 0.251 635 I C 1.425 177.535 176.117 -0.012 0.000 1.129 635 I CA 1.157 62.369 61.300 -0.147 0.000 1.402 635 I CB -0.174 37.732 38.000 -0.157 0.000 1.069 635 I HN 0.487 nan 8.210 nan 0.000 0.424 636 F N 0.945 120.944 119.950 0.082 0.000 2.192 636 F HA -0.263 4.264 4.527 0.000 0.000 0.301 636 F C 1.568 177.496 175.800 0.214 0.000 1.079 636 F CA 0.953 59.059 58.000 0.177 0.000 1.303 636 F CB -0.196 38.885 39.000 0.134 0.000 1.024 636 F HN 0.133 nan 8.300 nan 0.000 0.494 637 D N 0.371 120.950 120.400 0.298 0.000 2.395 637 D HA 0.200 4.840 4.640 0.000 0.000 0.226 637 D C 0.524 176.911 176.300 0.145 0.000 1.146 637 D CA 0.126 54.269 54.000 0.238 0.000 0.830 637 D CB -0.246 40.667 40.800 0.188 0.000 0.958 637 D HN 0.038 nan 8.370 nan 0.000 0.501 638 A N 0.847 123.743 122.820 0.126 0.000 2.498 638 A HA 0.162 4.482 4.320 0.000 0.000 0.239 638 A C 0.648 178.321 177.584 0.149 0.000 1.068 638 A CA 0.174 52.228 52.037 0.029 0.000 0.766 638 A CB 0.548 19.457 19.000 -0.151 0.000 1.003 638 A HN -0.008 nan 8.150 nan 0.000 0.497 639 K N 2.570 123.025 120.400 0.092 0.000 2.095 639 K HA 0.367 4.687 4.320 0.000 0.000 0.252 639 K C -1.935 174.820 176.600 0.257 0.000 0.977 639 K CA -1.851 54.530 56.287 0.157 0.000 0.900 639 K CB 0.900 33.453 32.500 0.088 0.000 1.060 639 K HN 0.297 nan 8.250 nan 0.000 0.449 640 P HA -0.263 nan 4.420 nan 0.000 0.216 640 P C 0.792 178.242 177.300 0.249 0.000 1.157 640 P CA 1.507 64.760 63.100 0.256 0.000 0.880 640 P CB 0.084 31.854 31.700 0.117 0.000 0.791 641 A N -0.626 122.279 122.820 0.142 0.000 2.121 641 A HA -0.174 4.146 4.320 0.000 0.000 0.218 641 A C 1.767 179.396 177.584 0.075 0.000 1.154 641 A CA 1.636 53.731 52.037 0.097 0.000 0.679 641 A CB -1.117 17.920 19.000 0.061 0.000 0.795 641 A HN 0.106 nan 8.150 nan 0.000 0.458 642 D N -1.248 119.178 120.400 0.043 0.000 2.224 642 D HA -0.019 4.621 4.640 0.000 0.000 0.205 642 D C -0.238 175.979 176.300 -0.138 0.000 0.965 642 D CA 0.579 54.524 54.000 -0.090 0.000 0.852 642 D CB -0.269 40.394 40.800 -0.227 0.000 0.947 642 D HN 0.554 nan 8.370 nan 0.000 0.494 643 Y N 1.248 121.554 120.300 0.010 0.000 2.605 643 Y HA 0.147 4.697 4.550 0.000 0.000 0.336 643 Y C 0.745 176.648 175.900 0.004 0.000 1.111 643 Y CA 0.182 58.282 58.100 0.001 0.000 1.422 643 Y CB 0.343 38.798 38.460 -0.009 0.000 1.193 643 Y HN -0.324 nan 8.280 nan 0.000 0.526 644 T N 2.847 117.462 114.554 0.101 0.000 2.863 644 T HA 0.461 4.811 4.350 0.000 0.000 0.285 644 T C -0.395 174.344 174.700 0.065 0.000 1.009 644 T CA -0.896 61.246 62.100 0.069 0.000 0.989 644 T CB 1.472 70.361 68.868 0.034 0.000 1.004 644 T HN 0.210 nan 8.240 nan 0.000 0.455 645 V N 2.096 122.047 119.914 0.062 0.000 2.614 645 V HA 0.639 4.759 4.120 0.000 0.000 0.291 645 V C 0.436 176.553 176.094 0.038 0.000 1.049 645 V CA -0.266 62.069 62.300 0.057 0.000 1.038 645 V CB 0.689 32.549 31.823 0.062 0.000 0.980 645 V HN 1.159 nan 8.190 nan 0.000 0.481 646 A N 3.368 126.202 122.820 0.024 0.000 2.515 646 A HA 0.756 5.076 4.320 0.000 0.000 0.298 646 A C -0.306 177.269 177.584 -0.015 0.000 1.059 646 A CA -0.591 51.450 52.037 0.007 0.000 0.698 646 A CB 1.762 20.758 19.000 -0.007 0.000 1.289 646 A HN 0.668 nan 8.150 nan 0.000 0.404 647 T N 3.068 117.616 114.554 -0.011 0.000 2.767 647 T HA 0.476 4.826 4.350 0.000 0.000 0.288 647 T C -0.417 174.246 174.700 -0.062 0.000 0.963 647 T CA -0.277 61.803 62.100 -0.034 0.000 1.019 647 T CB 0.666 69.538 68.868 0.006 0.000 0.923 647 T HN 0.571 nan 8.240 nan 0.000 0.468 648 Q N 1.801 121.475 119.800 -0.210 0.000 2.266 648 Q HA 0.634 4.974 4.340 0.000 0.000 0.261 648 Q C -0.744 175.190 176.000 -0.111 0.000 0.985 648 Q CA -0.682 55.012 55.803 -0.181 0.000 0.873 648 Q CB 2.086 30.468 28.738 -0.593 0.000 1.306 648 Q HN 0.556 nan 8.270 nan 0.000 0.447 649 S N 1.682 117.426 115.700 0.074 0.000 2.672 649 S HA 0.522 4.992 4.470 0.000 0.000 0.291 649 S C -0.521 174.168 174.600 0.149 0.000 1.145 649 S CA -0.583 57.686 58.200 0.114 0.000 1.013 649 S CB 0.719 63.979 63.200 0.101 0.000 1.017 649 S HN 0.376 nan 8.310 nan 0.000 0.487 650 I N 3.051 123.745 120.570 0.206 0.000 2.312 650 I HA 0.313 4.483 4.170 0.000 0.000 0.290 650 I C 0.276 176.497 176.117 0.174 0.000 1.008 650 I CA -0.297 61.118 61.300 0.192 0.000 1.226 650 I CB 0.484 38.646 38.000 0.269 0.000 1.371 650 I HN 0.639 nan 8.210 nan 0.000 0.468 651 H N 5.394 124.497 119.070 0.056 0.000 2.562 651 H HA 0.530 5.086 4.556 0.000 0.000 0.352 651 H C -0.657 174.659 175.328 -0.020 0.000 1.125 651 H CA -0.060 55.961 56.048 -0.045 0.000 1.379 651 H CB 0.550 30.276 29.762 -0.059 0.000 1.464 651 H HN 0.743 nan 8.280 nan 0.000 0.563 652 H N 1.510 120.407 119.070 -0.288 0.000 2.895 652 H HA 0.610 5.166 4.556 0.000 0.000 0.373 652 H C 0.187 175.397 175.328 -0.196 0.000 1.174 652 H CA -0.772 55.177 56.048 -0.164 0.000 1.144 652 H CB 1.164 30.828 29.762 -0.164 0.000 1.793 652 H HN 1.006 nan 8.280 nan 0.000 0.551 653 G N -0.064 108.734 108.800 -0.004 0.000 2.829 653 G HA2 0.306 4.266 3.960 0.000 0.000 0.628 653 G HA3 0.306 4.266 3.960 0.000 0.000 0.628 653 G C 0.537 175.445 174.900 0.015 0.000 1.412 653 G CA 0.469 45.541 45.100 -0.047 0.000 0.864 653 G HN 2.192 nan 8.290 nan 0.000 0.544 654 G N -0.357 108.499 108.800 0.093 0.000 2.566 654 G HA2 -0.201 3.759 3.960 0.000 0.000 0.280 654 G HA3 -0.201 3.759 3.960 0.000 0.000 0.280 654 G C 0.959 175.880 174.900 0.035 0.000 1.225 654 G CA 1.192 46.328 45.100 0.059 0.000 0.966 654 G HN 1.597 nan 8.290 nan 0.000 0.560 655 K N 0.989 121.314 120.400 -0.124 0.000 2.418 655 K HA 0.156 4.476 4.320 0.000 0.000 0.195 655 K C 1.105 177.380 176.600 -0.542 0.000 1.035 655 K CA 1.097 57.249 56.287 -0.225 0.000 1.003 655 K CB 0.286 32.661 32.500 -0.209 0.000 0.793 655 K HN 0.535 nan 8.250 nan 0.000 0.494 656 E N 0.907 120.692 120.200 -0.691 0.000 2.939 656 E HA 0.186 4.536 4.350 0.000 0.000 0.215 656 E C -1.100 175.030 176.600 -0.784 0.000 1.025 656 E CA -0.381 55.141 56.400 -1.465 0.000 1.259 656 E CB 1.176 30.188 29.700 -1.147 0.000 1.228 656 E HN 0.143 nan 8.360 nan 0.000 0.443 657 A N 1.408 123.971 122.820 -0.428 0.000 2.544 657 A HA 0.163 4.483 4.320 0.000 0.000 0.301 657 A C 0.484 178.206 177.584 0.230 0.000 1.368 657 A CA -0.175 51.822 52.037 -0.066 0.000 1.045 657 A CB -0.199 18.611 19.000 -0.317 0.000 1.129 657 A HN 0.086 nan 8.150 nan 0.000 0.540 658 T N 2.719 117.449 114.554 0.294 0.000 2.928 658 T HA 0.409 4.759 4.350 0.000 0.000 0.305 658 T C 0.645 175.392 174.700 0.079 0.000 1.035 658 T CA 0.986 63.239 62.100 0.255 0.000 1.145 658 T CB 0.118 69.063 68.868 0.129 0.000 0.963 658 T HN 1.212 nan 8.240 nan 0.000 0.545 659 S N 2.141 117.831 115.700 -0.015 0.000 2.611 659 S HA 0.620 5.090 4.470 0.000 0.000 0.268 659 S C -1.476 173.003 174.600 -0.202 0.000 1.156 659 S CA -1.133 56.961 58.200 -0.177 0.000 0.817 659 S CB 1.178 64.156 63.200 -0.370 0.000 1.122 659 S HN 0.435 nan 8.310 nan 0.000 0.466 660 I N 2.074 122.500 120.570 -0.239 0.000 2.339 660 I HA 0.315 4.485 4.170 0.000 0.000 0.290 660 I C -0.482 175.516 176.117 -0.198 0.000 0.994 660 I CA -0.674 60.501 61.300 -0.209 0.000 1.191 660 I CB 1.164 39.063 38.000 -0.169 0.000 1.343 660 I HN 0.656 nan 8.210 nan 0.000 0.458 661 L N 7.161 128.280 121.223 -0.173 0.000 2.407 661 L HA 0.299 4.639 4.340 0.000 0.000 0.282 661 L C 0.007 176.827 176.870 -0.083 0.000 1.110 661 L CA -0.139 54.627 54.840 -0.122 0.000 0.863 661 L CB 0.044 42.049 42.059 -0.090 0.000 1.207 661 L HN 0.341 nan 8.230 nan 0.000 0.454 662 L N 6.418 127.617 121.223 -0.040 0.000 2.312 662 L HA 0.372 4.712 4.340 0.000 0.000 0.281 662 L C -1.791 175.085 176.870 0.011 0.000 1.070 662 L CA -1.737 53.110 54.840 0.011 0.000 0.805 662 L CB 1.566 43.673 42.059 0.081 0.000 1.174 662 L HN 0.363 nan 8.230 nan 0.000 0.434 663 P HA 0.085 nan 4.420 nan 0.000 0.225 663 P C -0.286 177.010 177.300 -0.007 0.000 1.813 663 P CA -0.142 62.935 63.100 -0.037 0.000 1.013 663 P CB 0.084 31.737 31.700 -0.078 0.000 1.961 664 V N 3.117 123.035 119.914 0.005 0.000 2.655 664 V HA 0.106 4.226 4.120 0.000 0.000 0.300 664 V C 1.108 177.184 176.094 -0.029 0.000 1.044 664 V CA 0.128 62.430 62.300 0.004 0.000 1.095 664 V CB 1.129 32.931 31.823 -0.036 0.000 0.952 664 V HN 0.303 nan 8.190 nan 0.000 0.485 665 V N 2.483 122.388 119.914 -0.015 0.000 3.001 665 V HA 0.694 4.814 4.120 0.000 0.000 0.314 665 V C -0.370 175.716 176.094 -0.013 0.000 1.099 665 V CA -1.241 61.046 62.300 -0.022 0.000 0.989 665 V CB 1.861 33.674 31.823 -0.017 0.000 1.040 665 V HN 0.737 nan 8.190 nan 0.000 0.434 666 K N 0.000 120.393 120.400 -0.012 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 666 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543