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 1ryy_1_G DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVXXXX XQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSAEGF 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 0.000 175.329 175.328 0.001 0.000 0.993 50 H CA 0.000 56.049 56.048 0.001 0.000 1.023 50 H CB 0.000 29.763 29.762 0.001 0.000 1.292 51 D N 3.561 123.932 120.400 -0.048 0.000 2.325 51 D HA 0.123 4.763 4.640 0.000 0.000 0.251 51 D C -1.402 174.844 176.300 -0.091 0.000 1.196 51 D CA -1.644 52.302 54.000 -0.090 0.000 0.866 51 D CB 1.668 42.456 40.800 -0.021 0.000 1.101 51 D HN 0.350 nan 8.370 nan 0.000 0.476 52 P HA -0.028 nan 4.420 nan 0.000 0.233 52 P C 1.393 178.681 177.300 -0.020 0.000 1.167 52 P CA 0.405 63.458 63.100 -0.080 0.000 0.770 52 P CB 0.462 32.099 31.700 -0.105 0.000 0.837 53 L N -1.665 119.545 121.223 -0.022 0.000 2.558 53 L HA 0.139 4.479 4.340 0.000 0.000 0.225 53 L C 2.071 178.943 176.870 0.005 0.000 1.128 53 L CA 0.593 55.428 54.840 -0.007 0.000 0.868 53 L CB -0.172 41.880 42.059 -0.012 0.000 1.006 53 L HN -0.051 nan 8.230 nan 0.000 0.454 54 S N -1.730 113.977 115.700 0.013 0.000 3.056 54 S HA 0.195 4.665 4.470 0.000 0.000 0.255 54 S C 0.447 175.071 174.600 0.040 0.000 1.079 54 S CA -0.190 58.023 58.200 0.023 0.000 0.810 54 S CB 0.878 64.090 63.200 0.021 0.000 0.810 54 S HN -0.065 nan 8.310 nan 0.000 0.477 55 V N 3.114 123.069 119.914 0.069 0.000 2.394 55 V HA 0.596 4.716 4.120 0.000 0.000 0.282 55 V C -0.490 175.679 176.094 0.124 0.000 1.031 55 V CA -0.515 61.847 62.300 0.105 0.000 0.881 55 V CB 1.229 33.153 31.823 0.169 0.000 0.982 55 V HN 0.297 nan 8.190 nan 0.000 0.451 56 Q N 3.226 123.072 119.800 0.077 0.000 2.357 56 Q HA 0.418 4.758 4.340 0.000 0.000 0.266 56 Q C 0.461 176.488 176.000 0.044 0.000 1.021 56 Q CA -0.090 55.753 55.803 0.066 0.000 0.784 56 Q CB 1.689 30.451 28.738 0.040 0.000 1.243 56 Q HN 0.884 nan 8.270 nan 0.000 0.465 57 T N -0.026 114.558 114.554 0.050 0.000 3.054 57 T HA 0.426 4.776 4.350 0.000 0.000 0.255 57 T C 0.758 175.467 174.700 0.014 0.000 1.035 57 T CA 0.197 62.299 62.100 0.004 0.000 0.941 57 T CB 0.589 69.423 68.868 -0.057 0.000 1.026 57 T HN 0.471 nan 8.240 nan 0.000 0.533 58 G N 0.988 109.807 108.800 0.031 0.000 2.940 58 G HA2 0.559 4.519 3.960 0.000 0.000 0.164 58 G HA3 0.559 4.519 3.960 0.000 0.000 0.164 58 G C -0.903 174.008 174.900 0.019 0.000 1.326 58 G CA -0.606 44.509 45.100 0.025 0.000 1.020 58 G HN 0.299 nan 8.290 nan 0.000 0.586 59 S N -1.185 114.525 115.700 0.017 0.000 2.549 59 S HA 0.388 4.858 4.470 0.000 0.000 0.297 59 S C -0.044 174.564 174.600 0.014 0.000 1.115 59 S CA -0.552 57.656 58.200 0.014 0.000 1.059 59 S CB 1.540 64.747 63.200 0.011 0.000 1.046 59 S HN 0.346 nan 8.310 nan 0.000 0.506 60 D N 2.360 122.767 120.400 0.012 0.000 2.340 60 D HA 0.243 4.883 4.640 0.000 0.000 0.220 60 D C -0.112 176.194 176.300 0.011 0.000 1.039 60 D CA 0.510 54.517 54.000 0.012 0.000 0.866 60 D CB 0.084 40.890 40.800 0.011 0.000 0.913 60 D HN 0.502 nan 8.370 nan 0.000 0.523 61 I N 3.192 123.769 120.570 0.010 0.000 2.312 61 I HA 0.195 4.365 4.170 0.000 0.000 0.290 61 I C -1.865 174.258 176.117 0.010 0.000 1.008 61 I CA -1.824 59.482 61.300 0.010 0.000 1.226 61 I CB 1.444 39.449 38.000 0.009 0.000 1.371 61 I HN -0.231 nan 8.210 nan 0.000 0.468 62 P HA 0.107 nan 4.420 nan 0.000 0.271 62 P C 0.583 177.889 177.300 0.010 0.000 1.233 62 P CA -0.314 62.792 63.100 0.010 0.000 0.789 62 P CB 0.990 32.696 31.700 0.010 0.000 0.951 63 A N 1.817 124.643 122.820 0.011 0.000 1.908 63 A HA -0.063 4.257 4.320 0.000 0.000 0.218 63 A C 1.102 178.693 177.584 0.012 0.000 1.181 63 A CA 1.993 54.037 52.037 0.011 0.000 0.627 63 A CB -0.931 18.075 19.000 0.011 0.000 0.818 63 A HN 0.783 nan 8.150 nan 0.000 0.445 64 S N -3.874 111.833 115.700 0.012 0.000 2.625 64 S HA 0.673 5.143 4.470 0.000 0.000 0.271 64 S C -0.751 173.857 174.600 0.013 0.000 1.161 64 S CA -0.396 57.812 58.200 0.013 0.000 0.820 64 S CB 1.405 64.614 63.200 0.015 0.000 1.137 64 S HN 0.491 nan 8.310 nan 0.000 0.470 72 Q N 0.754 120.527 119.800 -0.044 0.000 2.247 72 Q HA 0.312 4.652 4.340 0.000 0.000 0.211 72 Q C -0.012 175.970 176.000 -0.031 0.000 0.861 72 Q CA -0.017 55.770 55.803 -0.027 0.000 0.949 72 Q CB 0.999 29.727 28.738 -0.016 0.000 1.115 72 Q HN 0.149 nan 8.270 nan 0.000 0.507 73 R N 0.771 121.224 120.500 -0.078 0.000 2.596 73 R HA 0.068 4.408 4.340 0.000 0.000 0.267 73 R C 0.010 176.276 176.300 -0.056 0.000 1.026 73 R CA -0.113 55.922 56.100 -0.108 0.000 1.087 73 R CB 0.678 30.749 30.300 -0.381 0.000 1.132 73 R HN 0.040 nan 8.270 nan 0.000 0.531 74 D N 0.165 120.597 120.400 0.054 0.000 2.424 74 D HA 0.039 4.679 4.640 0.000 0.000 0.220 74 D C -0.634 175.774 176.300 0.180 0.000 1.150 74 D CA -0.137 53.922 54.000 0.098 0.000 0.831 74 D CB -0.080 40.787 40.800 0.112 0.000 0.981 74 D HN 0.452 nan 8.370 nan 0.000 0.500 75 Y N -2.004 118.310 120.300 0.022 0.000 2.625 75 Y HA 0.678 5.228 4.550 -0.000 0.000 0.338 75 Y C -1.724 174.191 175.900 0.026 0.000 1.123 75 Y CA -1.743 56.373 58.100 0.027 0.000 1.046 75 Y CB 1.138 39.618 38.460 0.034 0.000 1.299 75 Y HN -0.227 nan 8.280 nan 0.000 0.464 76 I N 2.484 123.130 120.570 0.128 0.000 2.466 76 I HA 0.391 4.561 4.170 0.000 0.000 0.289 76 I C -0.872 175.353 176.117 0.180 0.000 1.026 76 I CA -0.856 60.466 61.300 0.037 0.000 1.078 76 I CB 2.124 40.142 38.000 0.030 0.000 1.249 76 I HN 0.588 nan 8.210 nan 0.000 0.429 77 K N 6.454 126.942 120.400 0.148 0.000 2.265 77 K HA 0.532 4.852 4.320 0.000 0.000 0.267 77 K C -0.717 175.946 176.600 0.104 0.000 0.994 77 K CA -0.669 55.729 56.287 0.185 0.000 0.860 77 K CB 1.062 33.710 32.500 0.247 0.000 1.099 77 K HN 0.528 nan 8.250 nan 0.000 0.448 78 R N 2.751 123.303 120.500 0.088 0.000 2.445 78 R HA 0.210 4.550 4.340 0.000 0.000 0.308 78 R C -0.903 175.409 176.300 0.020 0.000 0.961 78 R CA -0.517 55.621 56.100 0.065 0.000 0.862 78 R CB 1.474 31.823 30.300 0.081 0.000 1.144 78 R HN 0.591 nan 8.270 nan 0.000 0.447 79 E N 3.094 123.304 120.200 0.016 0.000 2.114 79 E HA 0.273 4.623 4.350 0.000 0.000 0.266 79 E C -0.924 175.653 176.600 -0.040 0.000 0.896 79 E CA -0.664 55.703 56.400 -0.055 0.000 0.750 79 E CB 1.757 31.503 29.700 0.077 0.000 1.121 79 E HN 0.296 nan 8.360 nan 0.000 0.413 80 V N -0.188 119.639 119.914 -0.145 0.000 2.962 80 V HA 0.538 4.658 4.120 0.000 0.000 0.313 80 V C -0.311 175.656 176.094 -0.212 0.000 1.099 80 V CA -1.174 61.051 62.300 -0.125 0.000 0.971 80 V CB 2.105 33.858 31.823 -0.117 0.000 1.028 80 V HN 0.551 nan 8.190 nan 0.000 0.430 81 M N 2.976 122.484 119.600 -0.154 0.000 2.289 81 M HA 0.393 4.873 4.480 0.000 0.000 0.354 81 M C -0.540 175.587 176.300 -0.289 0.000 1.210 81 M CA -0.404 54.816 55.300 -0.134 0.000 1.174 81 M CB 0.711 33.300 32.600 -0.018 0.000 1.297 81 M HN 0.586 nan 8.290 nan 0.000 0.423 82 V N 6.936 126.570 119.914 -0.465 0.000 2.446 82 V HA 0.151 4.271 4.120 0.000 0.000 0.276 82 V C -1.785 174.127 176.094 -0.303 0.000 1.030 82 V CA -0.958 60.939 62.300 -0.671 0.000 1.033 82 V CB 0.139 31.492 31.823 -0.784 0.000 0.993 82 V HN 0.519 nan 8.190 nan 0.000 0.477 83 P HA 0.284 nan 4.420 nan 0.000 0.280 83 P C -0.431 176.872 177.300 0.006 0.000 1.244 83 P CA -0.398 62.673 63.100 -0.049 0.000 0.784 83 P CB 0.960 32.667 31.700 0.011 0.000 0.913 84 M N 2.911 122.528 119.600 0.028 0.000 2.363 84 M HA 0.267 4.747 4.480 0.000 0.000 0.280 84 M C 2.099 178.442 176.300 0.072 0.000 1.182 84 M CA -0.602 54.735 55.300 0.062 0.000 0.974 84 M CB 0.258 32.893 32.600 0.059 0.000 1.452 84 M HN 0.391 nan 8.290 nan 0.000 0.507 85 R N 0.674 121.220 120.500 0.077 0.000 2.193 85 R HA -0.136 4.204 4.340 0.000 0.000 0.229 85 R C 0.472 176.795 176.300 0.038 0.000 1.110 85 R CA 1.772 57.907 56.100 0.058 0.000 0.988 85 R CB -0.555 29.765 30.300 0.035 0.000 0.871 85 R HN 0.675 nan 8.270 nan 0.000 0.458 86 D N -0.672 119.750 120.400 0.037 0.000 2.340 86 D HA 0.097 4.737 4.640 0.000 0.000 0.217 86 D C 1.050 177.370 176.300 0.032 0.000 1.081 86 D CA 0.472 54.490 54.000 0.031 0.000 0.842 86 D CB 0.537 41.355 40.800 0.030 0.000 0.934 86 D HN 0.406 nan 8.370 nan 0.000 0.511 87 G N -0.075 108.746 108.800 0.036 0.000 2.195 87 G HA2 -0.265 3.695 3.960 0.000 0.000 0.246 87 G HA3 -0.265 3.695 3.960 0.000 0.000 0.246 87 G C 0.184 175.102 174.900 0.030 0.000 0.984 87 G CA 0.144 45.264 45.100 0.034 0.000 0.633 87 G HN 0.357 nan 8.290 nan 0.000 0.525 88 V N 1.665 121.599 119.914 0.033 0.000 2.508 88 V HA 0.372 4.492 4.120 0.000 0.000 0.281 88 V C 0.770 176.878 176.094 0.023 0.000 1.041 88 V CA 0.164 62.483 62.300 0.033 0.000 1.016 88 V CB 1.296 33.145 31.823 0.043 0.000 0.984 88 V HN 0.340 nan 8.190 nan 0.000 0.478 89 K N 5.483 125.893 120.400 0.017 0.000 2.143 89 K HA 0.632 4.952 4.320 0.000 0.000 0.272 89 K C -0.911 175.695 176.600 0.011 0.000 1.001 89 K CA -0.348 55.936 56.287 -0.005 0.000 0.915 89 K CB 1.212 33.709 32.500 -0.005 0.000 1.047 89 K HN 0.502 nan 8.250 nan 0.000 0.458 90 L N 3.304 124.514 121.223 -0.021 0.000 2.341 90 L HA 0.321 4.661 4.340 0.000 0.000 0.278 90 L C -0.664 176.216 176.870 0.017 0.000 1.005 90 L CA -1.184 53.666 54.840 0.018 0.000 0.818 90 L CB 0.917 42.979 42.059 0.005 0.000 1.259 90 L HN 0.591 nan 8.230 nan 0.000 0.418 91 Y N 2.731 123.014 120.300 -0.029 0.000 2.537 91 Y HA 0.148 4.698 4.550 0.000 0.000 0.339 91 Y C -0.161 175.727 175.900 -0.021 0.000 1.066 91 Y CA 0.133 58.218 58.100 -0.024 0.000 1.357 91 Y CB 0.573 39.041 38.460 0.015 0.000 1.175 91 Y HN 0.455 nan 8.280 nan 0.000 0.525 92 T N 6.732 120.988 114.554 -0.498 0.000 2.809 92 T HA 0.446 4.796 4.350 0.000 0.000 0.284 92 T C -1.020 173.403 174.700 -0.462 0.000 0.992 92 T CA -0.714 61.158 62.100 -0.381 0.000 0.957 92 T CB 0.862 69.565 68.868 -0.276 0.000 0.942 92 T HN 0.387 nan 8.240 nan 0.000 0.439 93 V N 4.825 124.565 119.914 -0.290 0.000 2.370 93 V HA 0.517 4.637 4.120 0.000 0.000 0.279 93 V C -0.106 175.985 176.094 -0.006 0.000 1.029 93 V CA -0.794 61.412 62.300 -0.156 0.000 0.870 93 V CB 0.727 32.534 31.823 -0.028 0.000 0.984 93 V HN 0.798 nan 8.190 nan 0.000 0.451 94 I N 5.067 125.646 120.570 0.015 0.000 2.382 94 I HA 0.426 4.596 4.170 0.000 0.000 0.286 94 I C -0.562 175.608 176.117 0.089 0.000 1.002 94 I CA -0.711 60.623 61.300 0.057 0.000 1.135 94 I CB 1.906 39.951 38.000 0.075 0.000 1.288 94 I HN 0.309 nan 8.210 nan 0.000 0.448 95 V N 7.610 127.581 119.914 0.094 0.000 2.328 95 V HA 0.452 4.572 4.120 0.000 0.000 0.278 95 V C 0.019 176.177 176.094 0.107 0.000 1.021 95 V CA -0.356 62.016 62.300 0.119 0.000 0.838 95 V CB 1.178 33.038 31.823 0.061 0.000 0.999 95 V HN 0.486 nan 8.190 nan 0.000 0.447 96 I N 7.348 128.000 120.570 0.137 0.000 2.433 96 I HA 0.463 4.633 4.170 0.000 0.000 0.292 96 I C -2.401 173.796 176.117 0.134 0.000 1.001 96 I CA -2.191 59.171 61.300 0.103 0.000 1.119 96 I CB 2.362 40.405 38.000 0.071 0.000 1.289 96 I HN 0.408 nan 8.210 nan 0.000 0.438 97 P HA 0.101 nan 4.420 nan 0.000 0.272 97 P C -0.861 176.488 177.300 0.083 0.000 1.230 97 P CA -0.577 62.590 63.100 0.112 0.000 0.788 97 P CB 0.533 32.280 31.700 0.080 0.000 0.949 98 K N 2.478 122.925 120.400 0.078 0.000 2.448 98 K HA 0.058 4.378 4.320 0.000 0.000 0.278 98 K C 0.620 177.237 176.600 0.027 0.000 1.009 98 K CA 0.426 56.739 56.287 0.043 0.000 0.995 98 K CB -0.600 31.921 32.500 0.034 0.000 0.917 98 K HN 0.406 nan 8.250 nan 0.000 0.481 99 N N 0.255 118.963 118.700 0.015 0.000 2.714 99 N HA -0.241 4.499 4.740 0.000 0.000 0.250 99 N C -0.995 174.516 175.510 0.002 0.000 1.117 99 N CA 1.060 54.114 53.050 0.006 0.000 0.719 99 N CB -1.496 36.993 38.487 0.003 0.000 1.081 99 N HN 0.589 nan 8.380 nan 0.000 0.557 100 A N 0.941 123.765 122.820 0.006 0.000 2.440 100 A HA 0.473 4.793 4.320 0.000 0.000 0.251 100 A C 0.758 178.332 177.584 -0.018 0.000 1.089 100 A CA -0.032 52.003 52.037 -0.004 0.000 0.779 100 A CB 0.371 19.373 19.000 0.003 0.000 1.022 100 A HN 0.395 nan 8.150 nan 0.000 0.492 101 R N 1.438 121.921 120.500 -0.029 0.000 2.574 101 R HA 0.573 4.913 4.340 0.000 0.000 0.288 101 R C -0.476 175.793 176.300 -0.053 0.000 1.004 101 R CA -0.815 55.262 56.100 -0.037 0.000 0.895 101 R CB 0.536 30.818 30.300 -0.031 0.000 1.191 101 R HN 0.688 nan 8.270 nan 0.000 0.444 102 N N 0.111 118.775 118.700 -0.061 0.000 2.714 102 N HA -0.243 4.497 4.740 0.000 0.000 0.252 102 N C -1.125 174.323 175.510 -0.102 0.000 1.014 102 N CA 0.985 53.989 53.050 -0.077 0.000 0.735 102 N CB -0.412 38.034 38.487 -0.069 0.000 0.924 102 N HN 0.799 nan 8.380 nan 0.000 0.540 103 A N 0.432 123.185 122.820 -0.111 0.000 2.312 103 A HA 0.673 4.993 4.320 0.000 0.000 0.326 103 A C -2.074 175.386 177.584 -0.207 0.000 1.172 103 A CA -1.376 50.565 52.037 -0.160 0.000 0.821 103 A CB 0.970 19.899 19.000 -0.118 0.000 1.166 103 A HN 0.089 nan 8.150 nan 0.000 0.493 104 P HA 0.270 nan 4.420 nan 0.000 0.272 104 P C -0.741 176.425 177.300 -0.223 0.000 1.230 104 P CA 0.168 63.057 63.100 -0.351 0.000 0.788 104 P CB 0.713 32.038 31.700 -0.625 0.000 0.949 105 I N 1.519 122.032 120.570 -0.095 0.000 2.404 105 I HA 0.246 4.416 4.170 0.000 0.000 0.293 105 I C 0.005 176.150 176.117 0.045 0.000 0.992 105 I CA -0.968 60.321 61.300 -0.019 0.000 1.149 105 I CB 1.652 39.618 38.000 -0.056 0.000 1.315 105 I HN 0.150 nan 8.210 nan 0.000 0.446 106 L N 8.101 129.343 121.223 0.031 0.000 2.277 106 L HA 0.486 4.826 4.340 0.000 0.000 0.284 106 L C -0.902 175.850 176.870 -0.198 0.000 1.028 106 L CA -0.346 54.432 54.840 -0.103 0.000 0.835 106 L CB 1.161 43.005 42.059 -0.358 0.000 1.215 106 L HN 0.478 nan 8.230 nan 0.000 0.425 107 L N 4.520 125.650 121.223 -0.155 0.000 2.322 107 L HA 0.792 5.132 4.340 0.000 0.000 0.279 107 L C -0.596 176.147 176.870 -0.211 0.000 1.036 107 L CA 0.468 55.197 54.840 -0.186 0.000 0.807 107 L CB 1.995 43.990 42.059 -0.106 0.000 1.226 107 L HN 0.608 nan 8.230 nan 0.000 0.433 108 T N 4.579 118.962 114.554 -0.286 0.000 3.011 108 T HA 0.478 4.828 4.350 0.000 0.000 0.303 108 T C -0.716 173.966 174.700 -0.030 0.000 0.997 108 T CA -0.572 61.411 62.100 -0.195 0.000 1.007 108 T CB 0.968 69.605 68.868 -0.384 0.000 1.017 108 T HN 0.588 nan 8.240 nan 0.000 0.443 109 R N 1.822 122.354 120.500 0.054 0.000 2.265 109 R HA 0.710 5.050 4.340 0.000 0.000 0.319 109 R C -0.155 176.241 176.300 0.160 0.000 1.006 109 R CA -0.688 55.475 56.100 0.106 0.000 0.880 109 R CB 1.511 31.863 30.300 0.086 0.000 1.077 109 R HN 0.509 nan 8.270 nan 0.000 0.454 110 T N 2.282 116.942 114.554 0.175 0.000 2.933 110 T HA 0.386 4.736 4.350 0.000 0.000 0.305 110 T C -2.393 172.336 174.700 0.049 0.000 1.092 110 T CA -1.928 60.251 62.100 0.131 0.000 1.008 110 T CB 1.874 70.886 68.868 0.240 0.000 1.102 110 T HN 0.342 nan 8.240 nan 0.000 0.469 111 P HA 0.239 nan 4.420 nan 0.000 0.268 111 P C -0.273 176.991 177.300 -0.059 0.000 1.329 111 P CA -0.047 62.987 63.100 -0.110 0.000 0.899 111 P CB -0.121 31.483 31.700 -0.159 0.000 1.378 112 Y N 0.627 120.994 120.300 0.110 0.000 2.746 112 Y HA 0.288 4.838 4.550 0.000 0.000 0.312 112 Y C 0.592 176.332 175.900 -0.266 0.000 1.117 112 Y CA -1.465 56.644 58.100 0.015 0.000 1.324 112 Y CB -1.334 37.169 38.460 0.071 0.000 1.173 112 Y HN 0.101 nan 8.280 nan 0.000 0.529 113 N N 0.179 118.605 118.700 -0.457 0.000 2.411 113 N HA -0.212 4.528 4.740 0.000 0.000 0.286 113 N C 0.869 176.202 175.510 -0.296 0.000 1.382 113 N CA 0.227 52.782 53.050 -0.825 0.000 0.630 113 N CB -0.196 37.541 38.487 -1.251 0.000 0.904 113 N HN 0.483 nan 8.380 nan 0.000 0.516 114 A N 3.822 126.592 122.820 -0.083 0.000 1.940 114 A HA -0.215 4.105 4.320 0.000 0.000 0.219 114 A C 1.973 179.555 177.584 -0.002 0.000 1.176 114 A CA 1.966 54.024 52.037 0.035 0.000 0.631 114 A CB -0.256 18.876 19.000 0.220 0.000 0.814 114 A HN 0.780 nan 8.150 nan 0.000 0.446 115 K N -0.790 119.667 120.400 0.095 0.000 2.057 115 K HA -0.094 4.226 4.320 0.000 0.000 0.207 115 K C 1.985 178.555 176.600 -0.050 0.000 1.049 115 K CA 1.405 57.755 56.287 0.105 0.000 0.931 115 K CB -0.476 32.084 32.500 0.099 0.000 0.714 115 K HN 0.392 nan 8.250 nan 0.000 0.440 116 G N 0.602 109.320 108.800 -0.137 0.000 2.403 116 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 116 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 116 G C 1.429 176.206 174.900 -0.205 0.000 1.154 116 G CA 0.064 45.075 45.100 -0.147 0.000 0.784 116 G HN 0.134 nan 8.290 nan 0.000 0.538 117 R N 0.882 121.181 120.500 -0.335 0.000 2.096 117 R HA 0.036 4.376 4.340 0.000 0.000 0.235 117 R C 2.437 178.346 176.300 -0.651 0.000 1.127 117 R CA 1.111 56.867 56.100 -0.572 0.000 0.968 117 R CB -0.770 28.951 30.300 -0.964 0.000 0.861 117 R HN 0.328 nan 8.270 nan 0.000 0.440 118 A N 0.796 123.307 122.820 -0.515 0.000 2.327 118 A HA 0.078 4.398 4.320 0.000 0.000 0.228 118 A C 0.257 177.773 177.584 -0.114 0.000 1.275 118 A CA 0.020 51.918 52.037 -0.232 0.000 0.875 118 A CB -0.068 18.911 19.000 -0.035 0.000 0.925 118 A HN 0.084 nan 8.150 nan 0.000 0.493 119 N N -0.018 118.607 118.700 -0.125 0.000 2.672 119 N HA 0.123 4.863 4.740 0.000 0.000 0.295 119 N C 0.883 176.359 175.510 -0.057 0.000 1.924 119 N CA -0.262 52.752 53.050 -0.060 0.000 0.851 119 N CB 0.281 38.751 38.487 -0.029 0.000 1.281 119 N HN 0.388 nan 8.380 nan 0.000 0.494 120 R N -0.300 120.164 120.500 -0.061 0.000 2.091 120 R HA 0.006 4.346 4.340 0.000 0.000 0.238 120 R C -0.208 176.084 176.300 -0.014 0.000 1.136 120 R CA 1.253 57.332 56.100 -0.035 0.000 0.959 120 R CB 0.287 30.572 30.300 -0.025 0.000 0.856 120 R HN 0.005 nan 8.270 nan 0.000 0.437 121 V N 4.072 123.980 119.914 -0.010 0.000 2.325 121 V HA 0.245 4.365 4.120 0.000 0.000 0.280 121 V C -2.311 173.793 176.094 0.017 0.000 1.016 121 V CA -1.835 60.470 62.300 0.007 0.000 0.818 121 V CB 1.554 33.385 31.823 0.013 0.000 1.019 121 V HN 0.182 nan 8.190 nan 0.000 0.434 122 P HA -0.060 nan 4.420 nan 0.000 0.257 122 P C 0.296 177.630 177.300 0.056 0.000 1.162 122 P CA 0.704 63.823 63.100 0.031 0.000 0.762 122 P CB -0.123 31.591 31.700 0.024 0.000 0.753 123 N N -0.308 118.444 118.700 0.086 0.000 2.716 123 N HA -0.200 4.540 4.740 0.000 0.000 0.250 123 N C 0.325 175.923 175.510 0.147 0.000 1.033 123 N CA 0.453 53.580 53.050 0.129 0.000 0.727 123 N CB -1.286 37.253 38.487 0.087 0.000 0.950 123 N HN 0.625 nan 8.380 nan 0.000 0.541 124 A N -0.168 122.748 122.820 0.161 0.000 2.429 124 A HA 0.274 4.594 4.320 0.000 0.000 0.242 124 A C 1.394 179.124 177.584 0.244 0.000 1.088 124 A CA -0.073 52.055 52.037 0.152 0.000 0.784 124 A CB 0.307 19.364 19.000 0.094 0.000 1.038 124 A HN 0.367 nan 8.150 nan 0.000 0.501 125 L N -0.021 121.301 121.223 0.166 0.000 2.341 125 L HA 0.050 4.390 4.340 0.000 0.000 0.214 125 L C 1.091 178.099 176.870 0.231 0.000 1.115 125 L CA 1.222 56.153 54.840 0.153 0.000 0.820 125 L CB -0.652 41.454 42.059 0.077 0.000 0.944 125 L HN 0.908 nan 8.230 nan 0.000 0.452 126 T N -4.776 109.913 114.554 0.226 0.000 2.887 126 T HA 0.274 4.624 4.350 0.000 0.000 0.288 126 T C 0.581 175.326 174.700 0.076 0.000 1.021 126 T CA -0.668 61.547 62.100 0.192 0.000 1.000 126 T CB 2.405 71.328 68.868 0.091 0.000 1.034 126 T HN -0.045 nan 8.240 nan 0.000 0.467 127 M N 0.564 120.176 119.600 0.019 0.000 2.213 127 M HA -0.015 4.465 4.480 0.000 0.000 0.263 127 M C 2.338 178.549 176.300 -0.150 0.000 1.062 127 M CA 1.431 56.578 55.300 -0.255 0.000 1.105 127 M CB -0.192 32.354 32.600 -0.090 0.000 1.385 127 M HN 0.739 nan 8.290 nan 0.000 0.417 128 R N 0.497 120.967 120.500 -0.050 0.000 2.096 128 R HA -0.116 4.224 4.340 0.000 0.000 0.235 128 R C 1.695 177.973 176.300 -0.038 0.000 1.127 128 R CA 1.942 58.023 56.100 -0.031 0.000 0.968 128 R CB -0.284 30.011 30.300 -0.008 0.000 0.861 128 R HN 0.487 nan 8.270 nan 0.000 0.440 129 E N -0.954 119.226 120.200 -0.033 0.000 2.076 129 E HA -0.102 4.248 4.350 0.000 0.000 0.190 129 E C 1.835 178.407 176.600 -0.047 0.000 0.979 129 E CA 1.133 57.520 56.400 -0.022 0.000 0.807 129 E CB -0.026 29.679 29.700 0.009 0.000 0.761 129 E HN 0.118 nan 8.360 nan 0.000 0.454 130 V N 1.285 121.135 119.914 -0.108 0.000 2.594 130 V HA -0.113 4.007 4.120 0.000 0.000 0.253 130 V C 0.972 176.993 176.094 -0.121 0.000 1.069 130 V CA 0.986 63.197 62.300 -0.148 0.000 1.082 130 V CB -0.043 31.580 31.823 -0.333 0.000 0.680 130 V HN 0.071 nan 8.190 nan 0.000 0.469 131 L N 0.230 121.392 121.223 -0.101 0.000 2.375 131 L HA 0.412 4.752 4.340 0.000 0.000 0.268 131 L C -2.142 174.721 176.870 -0.011 0.000 1.058 131 L CA -2.009 52.814 54.840 -0.030 0.000 0.803 131 L CB 0.940 42.999 42.059 0.001 0.000 1.212 131 L HN -0.007 nan 8.230 nan 0.000 0.451 132 P HA -0.044 nan 4.420 nan 0.000 0.271 132 P C 0.011 177.293 177.300 -0.030 0.000 1.238 132 P CA -0.158 62.939 63.100 -0.004 0.000 0.794 132 P CB 0.485 32.194 31.700 0.015 0.000 0.959 133 Q N 0.861 120.618 119.800 -0.071 0.000 2.124 133 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 133 Q C 1.950 177.879 176.000 -0.117 0.000 0.977 133 Q CA 2.029 57.779 55.803 -0.088 0.000 0.850 133 Q CB -0.962 27.729 28.738 -0.079 0.000 0.901 133 Q HN 0.692 nan 8.270 nan 0.000 0.429 134 G N -0.323 108.363 108.800 -0.189 0.000 2.625 134 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 134 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 134 G C 0.424 175.339 174.900 0.024 0.000 1.132 134 G CA 0.637 45.669 45.100 -0.114 0.000 0.782 134 G HN 0.326 nan 8.290 nan 0.000 0.538 135 D N 0.545 120.962 120.400 0.027 0.000 2.349 135 D HA 0.040 4.680 4.640 0.000 0.000 0.214 135 D C 1.953 178.288 176.300 0.058 0.000 1.063 135 D CA 0.330 54.384 54.000 0.090 0.000 0.847 135 D CB 0.183 41.018 40.800 0.058 0.000 0.933 135 D HN 0.370 nan 8.370 nan 0.000 0.513 136 D N 0.895 121.296 120.400 0.001 0.000 2.133 136 D HA -0.214 4.426 4.640 0.000 0.000 0.192 136 D C 1.998 178.254 176.300 -0.073 0.000 1.001 136 D CA 1.903 55.888 54.000 -0.025 0.000 0.844 136 D CB -0.871 39.916 40.800 -0.020 0.000 0.944 136 D HN 0.274 nan 8.370 nan 0.000 0.447 137 V N -2.636 117.166 119.914 -0.187 0.000 2.667 137 V HA -0.040 4.080 4.120 0.000 0.000 0.252 137 V C 2.386 178.166 176.094 -0.523 0.000 1.065 137 V CA 1.051 63.118 62.300 -0.389 0.000 1.083 137 V CB -1.235 30.228 31.823 -0.599 0.000 0.692 137 V HN 0.005 nan 8.190 nan 0.000 0.468 138 F N 0.285 120.032 119.950 -0.340 0.000 2.367 138 F HA 0.143 4.670 4.527 0.000 0.000 0.298 138 F C 2.350 178.076 175.800 -0.123 0.000 1.094 138 F CA 1.184 58.928 58.000 -0.426 0.000 1.409 138 F CB -0.508 38.127 39.000 -0.610 0.000 1.064 138 F HN -0.022 nan 8.300 nan 0.000 0.528 139 V N -0.278 119.671 119.914 0.059 0.000 2.453 139 V HA -0.217 3.903 4.120 0.000 0.000 0.247 139 V C 2.072 178.193 176.094 0.045 0.000 1.048 139 V CA 1.721 64.057 62.300 0.059 0.000 1.049 139 V CB -0.414 31.422 31.823 0.022 0.000 0.672 139 V HN 0.240 nan 8.190 nan 0.000 0.457 140 E N 0.206 120.405 120.200 -0.002 0.000 2.204 140 E HA -0.106 4.244 4.350 0.000 0.000 0.194 140 E C 2.154 178.761 176.600 0.013 0.000 0.989 140 E CA 1.041 57.435 56.400 -0.009 0.000 0.824 140 E CB -0.289 29.384 29.700 -0.045 0.000 0.756 140 E HN 0.615 nan 8.360 nan 0.000 0.477 141 G N -0.735 108.091 108.800 0.044 0.000 2.880 141 G HA2 0.122 4.082 3.960 0.000 0.000 0.209 141 G HA3 0.122 4.082 3.960 0.000 0.000 0.209 141 G C 0.970 175.990 174.900 0.199 0.000 1.157 141 G CA 0.184 45.368 45.100 0.140 0.000 0.779 141 G HN 0.382 nan 8.290 nan 0.000 0.539 142 G N -1.125 107.781 108.800 0.177 0.000 2.182 142 G HA2 -0.289 3.671 3.960 0.000 0.000 0.248 142 G HA3 -0.289 3.671 3.960 0.000 0.000 0.248 142 G C 0.040 175.020 174.900 0.133 0.000 1.042 142 G CA -0.074 45.097 45.100 0.119 0.000 0.775 142 G HN 0.354 nan 8.290 nan 0.000 0.501 143 Y N -0.783 119.545 120.300 0.047 0.000 2.300 143 Y HA 0.596 5.146 4.550 0.000 0.000 0.328 143 Y C 1.406 177.316 175.900 0.016 0.000 1.270 143 Y CA -0.591 57.537 58.100 0.048 0.000 1.352 143 Y CB 0.687 39.212 38.460 0.109 0.000 1.286 143 Y HN 0.174 nan 8.280 nan 0.000 0.536 144 I N 3.226 123.866 120.570 0.117 0.000 2.315 144 I HA 0.254 4.424 4.170 0.000 0.000 0.291 144 I C -0.263 175.884 176.117 0.049 0.000 1.006 144 I CA -0.732 60.604 61.300 0.060 0.000 1.265 144 I CB 0.895 38.901 38.000 0.010 0.000 1.387 144 I HN 0.340 nan 8.210 nan 0.000 0.475 145 R N 5.684 126.203 120.500 0.030 0.000 2.254 145 R HA 0.554 4.894 4.340 0.000 0.000 0.318 145 R C -1.438 174.835 176.300 -0.045 0.000 1.031 145 R CA -0.394 55.683 56.100 -0.039 0.000 0.905 145 R CB 0.989 31.288 30.300 -0.002 0.000 1.050 145 R HN 0.381 nan 8.270 nan 0.000 0.456 146 V N 6.088 125.907 119.914 -0.158 0.000 2.444 146 V HA 0.487 4.607 4.120 0.000 0.000 0.294 146 V C -1.025 174.919 176.094 -0.250 0.000 1.022 146 V CA -0.604 61.627 62.300 -0.115 0.000 0.850 146 V CB 1.338 33.117 31.823 -0.073 0.000 0.992 146 V HN 0.577 nan 8.190 nan 0.000 0.426 147 F N 3.373 123.305 119.950 -0.030 0.000 2.477 147 F HA 0.595 5.122 4.527 0.000 0.000 0.335 147 F C 0.119 175.899 175.800 -0.034 0.000 1.130 147 F CA -0.268 57.722 58.000 -0.016 0.000 0.948 147 F CB 1.927 40.925 39.000 -0.004 0.000 1.154 147 F HN 0.432 nan 8.300 nan 0.000 0.439 148 Q N 3.019 122.921 119.800 0.170 0.000 2.356 148 Q HA 0.301 4.641 4.340 0.000 0.000 0.270 148 Q C -1.535 174.557 176.000 0.153 0.000 1.058 148 Q CA -0.941 54.921 55.803 0.099 0.000 0.802 148 Q CB 1.814 30.570 28.738 0.029 0.000 1.303 148 Q HN 0.468 nan 8.270 nan 0.000 0.444 149 D N 3.772 124.277 120.400 0.176 0.000 2.351 149 D HA 0.206 4.846 4.640 0.000 0.000 0.251 149 D C 0.345 176.734 176.300 0.148 0.000 1.137 149 D CA -0.029 54.083 54.000 0.186 0.000 0.879 149 D CB 0.605 41.556 40.800 0.251 0.000 1.181 149 D HN 0.551 nan 8.370 nan 0.000 0.448 150 I N -0.772 119.883 120.570 0.142 0.000 3.004 150 I HA 0.231 4.401 4.170 0.000 0.000 0.287 150 I C 0.825 177.036 176.117 0.156 0.000 1.144 150 I CA -0.878 60.515 61.300 0.154 0.000 1.353 150 I CB 0.647 38.766 38.000 0.199 0.000 1.417 150 I HN 0.149 nan 8.210 nan 0.000 0.602 151 R N 2.788 123.392 120.500 0.173 0.000 2.501 151 R HA 0.100 4.440 4.340 0.000 0.000 0.319 151 R C 1.003 177.432 176.300 0.216 0.000 0.913 151 R CA 1.303 57.504 56.100 0.168 0.000 1.104 151 R CB -0.540 29.856 30.300 0.160 0.000 0.901 151 R HN 1.163 nan 8.270 nan 0.000 0.407 152 G N 3.070 111.957 108.800 0.145 0.000 2.176 152 G HA2 -0.224 3.736 3.960 0.000 0.000 0.253 152 G HA3 -0.224 3.736 3.960 0.000 0.000 0.253 152 G C -0.355 174.537 174.900 -0.014 0.000 0.979 152 G CA 0.155 45.332 45.100 0.129 0.000 0.641 152 G HN 0.508 nan 8.290 nan 0.000 0.530 153 K N -0.489 119.881 120.400 -0.050 0.000 2.270 153 K HA 0.674 4.994 4.320 0.000 0.000 0.255 153 K C 0.898 177.532 176.600 0.056 0.000 0.936 153 K CA -0.877 55.331 56.287 -0.133 0.000 0.809 153 K CB 1.245 33.643 32.500 -0.169 0.000 1.131 153 K HN 0.202 nan 8.250 nan 0.000 0.427 154 Y N 0.327 120.564 120.300 -0.105 0.000 2.798 154 Y HA -0.444 4.106 4.550 0.000 0.000 0.472 154 Y C 1.738 177.569 175.900 -0.116 0.000 1.128 154 Y CA 2.188 60.231 58.100 -0.095 0.000 2.775 154 Y CB -1.452 36.961 38.460 -0.079 0.000 1.152 154 Y HN 0.772 nan 8.280 nan 0.000 0.616 155 G N 0.071 108.892 108.800 0.034 0.000 2.920 155 G HA2 0.281 4.241 3.960 0.000 0.000 0.208 155 G HA3 0.281 4.241 3.960 0.000 0.000 0.208 155 G C 0.087 175.005 174.900 0.030 0.000 1.159 155 G CA 0.751 45.764 45.100 -0.145 0.000 0.784 155 G HN 0.270 nan 8.290 nan 0.000 0.535 156 S N -0.148 115.603 115.700 0.086 0.000 2.654 156 S HA 0.456 4.926 4.470 0.000 0.000 0.283 156 S C 0.214 174.847 174.600 0.054 0.000 1.180 156 S CA -0.609 57.648 58.200 0.094 0.000 1.021 156 S CB 1.669 64.937 63.200 0.114 0.000 1.018 156 S HN 0.435 nan 8.310 nan 0.000 0.532 157 Q N 0.285 120.117 119.800 0.053 0.000 2.298 157 Q HA 0.692 5.032 4.340 0.000 0.000 0.181 157 Q C 0.590 176.624 176.000 0.056 0.000 1.004 157 Q CA -0.661 55.166 55.803 0.042 0.000 1.050 157 Q CB 0.289 29.048 28.738 0.035 0.000 1.254 157 Q HN 0.963 nan 8.270 nan 0.000 0.531 158 G N 0.474 109.305 108.800 0.051 0.000 2.796 158 G HA2 -0.163 3.797 3.960 0.000 0.000 0.571 158 G HA3 -0.163 3.797 3.960 0.000 0.000 0.571 158 G C -1.408 173.539 174.900 0.077 0.000 1.370 158 G CA -0.615 44.523 45.100 0.063 0.000 0.856 158 G HN 0.554 nan 8.290 nan 0.000 0.538 159 D N -0.389 120.062 120.400 0.084 0.000 2.210 159 D HA 0.479 5.119 4.640 0.000 0.000 0.249 159 D C -0.295 176.099 176.300 0.157 0.000 1.062 159 D CA 0.130 54.188 54.000 0.096 0.000 0.891 159 D CB 1.364 42.201 40.800 0.062 0.000 1.186 159 D HN 0.452 nan 8.370 nan 0.000 0.432 160 Y N 1.835 122.151 120.300 0.027 0.000 2.328 160 Y HA 0.391 4.941 4.550 0.000 0.000 0.337 160 Y C -1.027 174.893 175.900 0.034 0.000 1.008 160 Y CA -0.654 57.466 58.100 0.033 0.000 1.129 160 Y CB 0.843 39.313 38.460 0.018 0.000 1.185 160 Y HN 0.033 nan 8.280 nan 0.000 0.476 161 V N 8.524 128.118 119.914 -0.534 0.000 2.407 161 V HA 0.205 4.325 4.120 0.000 0.000 0.291 161 V C -0.122 175.516 176.094 -0.761 0.000 1.018 161 V CA -1.054 60.963 62.300 -0.473 0.000 0.842 161 V CB 1.217 32.956 31.823 -0.141 0.000 0.996 161 V HN 0.880 nan 8.190 nan 0.000 0.426 162 M N 6.012 125.120 119.600 -0.819 0.000 2.408 162 M HA 0.141 4.621 4.480 0.000 0.000 0.363 162 M C 0.939 176.983 176.300 -0.427 0.000 1.636 162 M CA 1.142 55.988 55.300 -0.757 0.000 1.029 162 M CB -0.628 31.245 32.600 -1.212 0.000 2.068 162 M HN 1.195 nan 8.290 nan 0.000 0.466 163 T N 2.551 116.937 114.554 -0.280 0.000 3.549 163 T HA -0.255 4.095 4.350 0.000 0.000 0.398 163 T C 0.096 174.824 174.700 0.047 0.000 0.766 163 T CA 0.959 62.853 62.100 -0.344 0.000 2.007 163 T CB -1.627 67.005 68.868 -0.394 0.000 1.727 163 T HN 0.999 nan 8.240 nan 0.000 0.693 164 R N 1.663 122.252 120.500 0.147 0.000 2.526 164 R HA 0.142 4.482 4.340 0.000 0.000 0.319 164 R C -2.029 174.418 176.300 0.245 0.000 0.888 164 R CA -0.848 55.350 56.100 0.164 0.000 1.127 164 R CB 0.197 30.591 30.300 0.156 0.000 0.888 164 R HN 0.372 nan 8.270 nan 0.000 0.410 165 P HA 0.079 nan 4.420 nan 0.000 0.269 165 P C -2.414 174.949 177.300 0.105 0.000 1.209 165 P CA -1.058 62.102 63.100 0.100 0.000 0.776 165 P CB 0.399 32.089 31.700 -0.017 0.000 0.876 166 P HA 0.016 nan 4.420 nan 0.000 0.273 166 P C -0.375 176.979 177.300 0.089 0.000 1.250 166 P CA -0.057 63.104 63.100 0.101 0.000 0.793 166 P CB 0.196 31.953 31.700 0.094 0.000 1.011 167 H N -0.350 118.736 119.070 0.027 0.000 3.157 167 H HA 0.360 4.916 4.556 0.000 0.000 0.299 167 H C 0.748 176.081 175.328 0.008 0.000 0.961 167 H CA 2.158 58.215 56.048 0.015 0.000 1.428 167 H CB -0.649 29.117 29.762 0.007 0.000 1.459 167 H HN 0.738 nan 8.280 nan 0.000 0.566 168 G N 4.020 112.528 108.800 -0.487 0.000 2.392 168 G HA2 -0.017 3.943 3.960 0.000 0.000 0.260 168 G HA3 -0.017 3.943 3.960 0.000 0.000 0.260 168 G C -2.098 172.646 174.900 -0.261 0.000 1.226 168 G CA -0.321 44.565 45.100 -0.356 0.000 0.913 168 G HN 0.432 nan 8.290 nan 0.000 0.483 169 P HA 0.094 nan 4.420 nan 0.000 0.226 169 P C 1.349 178.594 177.300 -0.092 0.000 1.153 169 P CA 0.852 63.885 63.100 -0.112 0.000 0.777 169 P CB 0.193 31.839 31.700 -0.089 0.000 0.794 170 L N -1.976 119.186 121.223 -0.101 0.000 2.640 170 L HA 0.277 4.617 4.340 0.000 0.000 0.230 170 L C 0.612 177.455 176.870 -0.045 0.000 1.123 170 L CA 0.119 54.913 54.840 -0.075 0.000 0.900 170 L CB -0.173 41.807 42.059 -0.131 0.000 1.146 170 L HN -0.065 nan 8.230 nan 0.000 0.484 171 N N 0.207 118.870 118.700 -0.061 0.000 2.793 171 N HA 0.175 4.915 4.740 0.000 0.000 0.251 171 N C -2.430 173.055 175.510 -0.042 0.000 1.308 171 N CA -1.080 51.959 53.050 -0.017 0.000 0.781 171 N CB 1.600 40.103 38.487 0.028 0.000 1.439 171 N HN -0.258 nan 8.380 nan 0.000 0.562 172 P HA 0.080 nan 4.420 nan 0.000 0.255 172 P C 0.459 177.837 177.300 0.131 0.000 1.248 172 P CA 0.270 63.376 63.100 0.010 0.000 0.807 172 P CB -0.047 31.651 31.700 -0.002 0.000 1.150 173 T N -2.328 112.303 114.554 0.129 0.000 2.754 173 T HA 0.176 4.526 4.350 0.000 0.000 0.286 173 T C 1.261 176.039 174.700 0.131 0.000 0.997 173 T CA -0.395 61.771 62.100 0.111 0.000 0.982 173 T CB 0.857 69.770 68.868 0.076 0.000 1.027 173 T HN -0.176 nan 8.240 nan 0.000 0.529 174 K N 0.500 120.928 120.400 0.047 0.000 2.366 174 K HA 0.067 4.387 4.320 0.000 0.000 0.198 174 K C 1.298 177.880 176.600 -0.031 0.000 1.044 174 K CA 0.649 56.919 56.287 -0.028 0.000 0.973 174 K CB -0.415 32.064 32.500 -0.034 0.000 0.767 174 K HN 0.913 nan 8.250 nan 0.000 0.475 175 T N -0.414 114.157 114.554 0.027 0.000 2.930 175 T HA 0.521 4.871 4.350 0.000 0.000 0.290 175 T C -0.583 174.163 174.700 0.075 0.000 1.052 175 T CA -0.865 61.259 62.100 0.039 0.000 1.017 175 T CB 2.524 71.421 68.868 0.048 0.000 1.137 175 T HN 0.080 nan 8.240 nan 0.000 0.511 176 D N -0.712 119.736 120.400 0.080 0.000 2.970 176 D HA 0.224 4.864 4.640 0.000 0.000 0.344 176 D C 0.400 176.760 176.300 0.100 0.000 1.365 176 D CA -0.618 53.442 54.000 0.101 0.000 0.910 176 D CB -0.008 40.859 40.800 0.111 0.000 1.445 176 D HN 0.374 nan 8.370 nan 0.000 0.532 177 E N -0.576 119.684 120.200 0.099 0.000 2.347 177 E HA 0.008 4.358 4.350 0.000 0.000 0.196 177 E C 1.351 177.985 176.600 0.055 0.000 1.008 177 E CA 0.984 57.429 56.400 0.075 0.000 0.852 177 E CB -0.227 29.490 29.700 0.027 0.000 0.783 177 E HN 0.541 nan 8.360 nan 0.000 0.505 178 T N 0.492 115.085 114.554 0.066 0.000 2.809 178 T HA -0.101 4.249 4.350 0.000 0.000 0.260 178 T C 2.114 176.900 174.700 0.144 0.000 1.039 178 T CA 1.920 64.074 62.100 0.090 0.000 1.141 178 T CB -0.328 68.588 68.868 0.081 0.000 0.869 178 T HN 0.373 nan 8.240 nan 0.000 0.437 179 T N 0.533 115.152 114.554 0.109 0.000 2.904 179 T HA -0.093 4.257 4.350 0.000 0.000 0.267 179 T C 1.523 176.332 174.700 0.182 0.000 1.059 179 T CA 1.088 63.260 62.100 0.120 0.000 1.137 179 T CB -0.426 68.455 68.868 0.022 0.000 0.879 179 T HN 0.097 nan 8.240 nan 0.000 0.467 180 D N 1.858 122.340 120.400 0.137 0.000 2.144 180 D HA 0.127 4.767 4.640 0.000 0.000 0.200 180 D C 2.359 178.738 176.300 0.132 0.000 0.978 180 D CA 1.286 55.361 54.000 0.126 0.000 0.833 180 D CB -0.490 40.374 40.800 0.106 0.000 0.961 180 D HN 0.578 nan 8.370 nan 0.000 0.470 181 A N -0.633 122.269 122.820 0.138 0.000 1.970 181 A HA -0.084 4.236 4.320 0.000 0.000 0.216 181 A C 2.119 179.785 177.584 0.137 0.000 1.170 181 A CA 0.662 52.763 52.037 0.106 0.000 0.645 181 A CB -1.001 18.049 19.000 0.083 0.000 0.816 181 A HN 0.344 nan 8.150 nan 0.000 0.447 182 W N 1.227 122.554 121.300 0.045 0.000 2.379 182 W HA -0.145 4.515 4.660 0.000 0.000 0.307 182 W C 1.370 177.921 176.519 0.055 0.000 1.200 182 W CA 1.795 59.191 57.345 0.085 0.000 1.297 182 W CB 0.138 29.665 29.460 0.111 0.000 1.140 182 W HN 0.357 nan 8.180 nan 0.000 0.507 183 D N -1.006 119.659 120.400 0.441 0.000 2.178 183 D HA -0.144 4.496 4.640 0.000 0.000 0.202 183 D C 2.074 178.467 176.300 0.155 0.000 0.974 183 D CA 1.865 56.063 54.000 0.330 0.000 0.841 183 D CB -0.726 40.230 40.800 0.260 0.000 0.953 183 D HN 0.144 nan 8.370 nan 0.000 0.478 184 T N 0.584 115.188 114.554 0.083 0.000 2.737 184 T HA -0.069 4.281 4.350 0.000 0.000 0.265 184 T C 2.283 176.975 174.700 -0.012 0.000 1.038 184 T CA 0.624 62.747 62.100 0.038 0.000 1.144 184 T CB -0.208 68.666 68.868 0.011 0.000 0.866 184 T HN -0.036 nan 8.240 nan 0.000 0.434 185 V N 1.705 121.516 119.914 -0.170 0.000 2.343 185 V HA -0.167 3.953 4.120 0.000 0.000 0.247 185 V C 2.330 178.073 176.094 -0.585 0.000 1.051 185 V CA 1.965 64.046 62.300 -0.364 0.000 1.036 185 V CB -0.612 30.932 31.823 -0.465 0.000 0.654 185 V HN 0.494 nan 8.190 nan 0.000 0.451 186 D N -1.456 118.505 120.400 -0.732 0.000 2.144 186 D HA -0.258 4.382 4.640 0.000 0.000 0.199 186 D C 1.879 178.124 176.300 -0.091 0.000 0.984 186 D CA 1.501 55.153 54.000 -0.580 0.000 0.834 186 D CB -0.165 40.491 40.800 -0.241 0.000 0.955 186 D HN 0.571 nan 8.370 nan 0.000 0.465 187 W N 0.336 121.558 121.300 -0.130 0.000 2.409 187 W HA 0.044 4.704 4.660 0.000 0.000 0.299 187 W C 1.828 178.302 176.519 -0.075 0.000 1.203 187 W CA 0.769 58.097 57.345 -0.028 0.000 1.298 187 W CB -0.199 29.255 29.460 -0.010 0.000 1.127 187 W HN -0.030 nan 8.180 nan 0.000 0.528 188 L N 0.502 121.824 121.223 0.164 0.000 2.083 188 L HA -0.215 4.125 4.340 0.000 0.000 0.209 188 L C 2.349 179.094 176.870 -0.208 0.000 1.083 188 L CA 1.515 56.370 54.840 0.024 0.000 0.752 188 L CB -1.102 40.982 42.059 0.043 0.000 0.899 188 L HN 0.061 nan 8.230 nan 0.000 0.433 189 V N -4.799 114.922 119.914 -0.321 0.000 3.380 189 V HA -0.125 3.995 4.120 0.000 0.000 0.268 189 V C 1.358 177.157 176.094 -0.491 0.000 1.168 189 V CA 1.188 63.240 62.300 -0.413 0.000 1.156 189 V CB -0.859 30.677 31.823 -0.479 0.000 0.785 189 V HN 0.494 nan 8.190 nan 0.000 0.487 190 H N -0.221 118.683 119.070 -0.277 0.000 2.986 190 H HA 0.370 4.926 4.556 0.000 0.000 0.267 190 H C 1.099 176.173 175.328 -0.424 0.000 1.072 190 H CA 0.533 56.407 56.048 -0.290 0.000 1.202 190 H CB 0.452 30.066 29.762 -0.248 0.000 1.535 190 H HN 0.465 nan 8.280 nan 0.000 0.522 191 N N -0.114 118.263 118.700 -0.538 0.000 2.170 191 N HA 0.125 4.865 4.740 0.000 0.000 0.222 191 N C -1.056 174.195 175.510 -0.432 0.000 1.218 191 N CA 0.080 52.706 53.050 -0.707 0.000 0.889 191 N CB 2.172 39.664 38.487 -1.659 0.000 1.083 191 N HN -0.095 nan 8.380 nan 0.000 0.520 192 V N 1.970 121.717 119.914 -0.278 0.000 2.289 192 V HA 0.281 4.401 4.120 0.000 0.000 0.272 192 V C -1.813 174.212 176.094 -0.115 0.000 1.026 192 V CA -1.234 60.979 62.300 -0.144 0.000 0.807 192 V CB 1.601 33.370 31.823 -0.089 0.000 1.044 192 V HN -0.036 nan 8.190 nan 0.000 0.443 193 P HA -0.059 nan 4.420 nan 0.000 0.222 193 P C 1.092 178.357 177.300 -0.059 0.000 1.147 193 P CA 0.830 63.886 63.100 -0.072 0.000 0.790 193 P CB 0.467 32.133 31.700 -0.057 0.000 0.780 194 E N -0.538 119.632 120.200 -0.051 0.000 2.482 194 E HA -0.009 4.341 4.350 0.000 0.000 0.196 194 E C 0.926 177.492 176.600 -0.058 0.000 1.047 194 E CA 0.179 56.553 56.400 -0.043 0.000 0.869 194 E CB -0.231 29.454 29.700 -0.024 0.000 0.836 194 E HN 0.260 nan 8.360 nan 0.000 0.520 195 S N 0.800 116.456 115.700 -0.073 0.000 2.693 195 S HA 0.154 4.624 4.470 0.000 0.000 0.276 195 S C 0.720 175.261 174.600 -0.100 0.000 1.192 195 S CA -0.686 57.459 58.200 -0.092 0.000 0.994 195 S CB 0.911 64.051 63.200 -0.100 0.000 1.012 195 S HN 0.163 nan 8.310 nan 0.000 0.550 196 N N 0.012 118.645 118.700 -0.113 0.000 2.235 196 N HA 0.206 4.946 4.740 0.000 0.000 0.209 196 N C 1.098 176.541 175.510 -0.112 0.000 1.122 196 N CA 0.350 53.337 53.050 -0.106 0.000 0.845 196 N CB -0.303 38.118 38.487 -0.110 0.000 1.004 196 N HN 1.355 nan 8.380 nan 0.000 0.499 197 G N 0.619 109.341 108.800 -0.130 0.000 2.153 197 G HA2 -0.320 3.640 3.960 0.000 0.000 0.252 197 G HA3 -0.320 3.640 3.960 0.000 0.000 0.252 197 G C -0.397 174.419 174.900 -0.139 0.000 0.994 197 G CA -0.018 44.991 45.100 -0.152 0.000 0.698 197 G HN 0.504 nan 8.290 nan 0.000 0.521 198 R N -0.214 120.209 120.500 -0.129 0.000 2.310 198 R HA 0.554 4.894 4.340 0.000 0.000 0.324 198 R C -0.461 175.766 176.300 -0.121 0.000 0.955 198 R CA -0.696 55.332 56.100 -0.120 0.000 0.830 198 R CB 2.279 32.512 30.300 -0.112 0.000 1.154 198 R HN 0.095 nan 8.270 nan 0.000 0.458 199 V N 1.735 121.575 119.914 -0.122 0.000 2.483 199 V HA 0.627 4.747 4.120 0.000 0.000 0.295 199 V C 0.542 176.563 176.094 -0.122 0.000 1.035 199 V CA -0.804 61.431 62.300 -0.110 0.000 0.896 199 V CB 1.912 33.661 31.823 -0.124 0.000 0.986 199 V HN 0.927 nan 8.190 nan 0.000 0.447 200 G N 3.598 112.351 108.800 -0.078 0.000 2.470 200 G HA2 0.689 4.649 3.960 0.000 0.000 0.320 200 G HA3 0.689 4.649 3.960 0.000 0.000 0.320 200 G C -1.004 173.924 174.900 0.047 0.000 1.245 200 G CA -0.649 44.378 45.100 -0.122 0.000 0.935 200 G HN 0.552 nan 8.290 nan 0.000 0.476 201 M N 1.601 121.241 119.600 0.067 0.000 2.364 201 M HA 0.619 5.099 4.480 0.000 0.000 0.334 201 M C -0.130 176.301 176.300 0.219 0.000 1.107 201 M CA -0.407 54.949 55.300 0.094 0.000 0.988 201 M CB 2.539 35.149 32.600 0.016 0.000 1.673 201 M HN 0.605 nan 8.290 nan 0.000 0.441 202 T N 1.480 116.094 114.554 0.101 0.000 2.739 202 T HA 0.880 5.230 4.350 0.000 0.000 0.303 202 T C -1.354 173.371 174.700 0.042 0.000 1.389 202 T CA 0.006 62.164 62.100 0.098 0.000 1.001 202 T CB 2.000 70.949 68.868 0.135 0.000 1.436 202 T HN 0.998 nan 8.240 nan 0.000 0.500 203 G N 0.804 109.643 108.800 0.065 0.000 2.352 203 G HA2 0.438 4.398 3.960 0.000 0.000 0.305 203 G HA3 0.438 4.398 3.960 0.000 0.000 0.305 203 G C -1.338 173.640 174.900 0.130 0.000 1.537 203 G CA 0.017 45.183 45.100 0.110 0.000 0.959 203 G HN 0.767 nan 8.290 nan 0.000 0.668 204 S N -0.302 115.499 115.700 0.168 0.000 2.578 204 S HA 0.859 5.329 4.470 0.000 0.000 0.301 204 S C 1.033 175.802 174.600 0.281 0.000 1.091 204 S CA 1.158 59.451 58.200 0.154 0.000 1.032 204 S CB 1.466 64.694 63.200 0.046 0.000 1.064 204 S HN 2.292 nan 8.310 nan 0.000 0.508 205 S N 1.757 117.645 115.700 0.313 0.000 4.140 205 S HA -0.312 4.158 4.470 0.000 0.000 0.618 205 S C 1.458 176.323 174.600 0.442 0.000 1.896 205 S CA 1.405 59.900 58.200 0.490 0.000 4.240 205 S CB -1.802 61.785 63.200 0.645 0.000 0.208 205 S HN 1.623 nan 8.310 nan 0.000 0.487 206 A N 0.705 123.816 122.820 0.486 0.000 2.119 206 A HA 0.094 4.414 4.320 0.000 0.000 0.217 206 A C 1.676 179.472 177.584 0.353 0.000 1.153 206 A CA 1.644 53.895 52.037 0.357 0.000 0.692 206 A CB -0.525 18.573 19.000 0.165 0.000 0.799 206 A HN 0.725 nan 8.150 nan 0.000 0.458 207 E N -0.584 119.823 120.200 0.344 0.000 2.285 207 E HA -0.030 4.320 4.350 0.000 0.000 0.194 207 E C 1.904 178.652 176.600 0.246 0.000 0.997 207 E CA 0.544 57.111 56.400 0.279 0.000 0.845 207 E CB -0.125 29.759 29.700 0.308 0.000 0.782 207 E HN 0.592 nan 8.360 nan 0.000 0.491 208 G N 0.850 109.820 108.800 0.283 0.000 2.494 208 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 208 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 208 G C 1.282 176.350 174.900 0.280 0.000 1.140 208 G CA -0.119 45.126 45.100 0.241 0.000 0.801 208 G HN 0.238 nan 8.290 nan 0.000 0.536 209 F N 3.152 123.225 119.950 0.204 0.000 2.134 209 F HA -0.122 4.405 4.527 0.000 0.000 0.299 209 F C 2.792 178.701 175.800 0.182 0.000 1.097 209 F CA 2.210 60.335 58.000 0.208 0.000 1.264 209 F CB -0.592 38.535 39.000 0.211 0.000 1.001 209 F HN 0.156 nan 8.300 nan 0.000 0.479 210 T N -1.939 112.598 114.554 -0.027 0.000 2.915 210 T HA -0.104 4.246 4.350 0.000 0.000 0.269 210 T C 1.945 176.594 174.700 -0.084 0.000 1.071 210 T CA 1.351 63.369 62.100 -0.136 0.000 1.132 210 T CB -1.227 67.676 68.868 0.058 0.000 0.878 210 T HN 0.176 nan 8.240 nan 0.000 0.479 211 V N 1.304 121.213 119.914 -0.007 0.000 2.379 211 V HA -0.092 4.028 4.120 0.000 0.000 0.245 211 V C 2.920 179.006 176.094 -0.014 0.000 1.044 211 V CA 1.163 63.460 62.300 -0.005 0.000 1.036 211 V CB -0.733 31.093 31.823 0.005 0.000 0.664 211 V HN 0.381 nan 8.190 nan 0.000 0.453 212 V N -0.546 119.380 119.914 0.021 0.000 2.343 212 V HA -0.272 3.848 4.120 0.000 0.000 0.247 212 V C 2.550 178.665 176.094 0.036 0.000 1.051 212 V CA 1.791 64.159 62.300 0.112 0.000 1.036 212 V CB -0.622 31.356 31.823 0.258 0.000 0.654 212 V HN 0.397 nan 8.190 nan 0.000 0.451 213 M N -0.058 119.468 119.600 -0.123 0.000 2.159 213 M HA -0.114 4.366 4.480 0.000 0.000 0.263 213 M C 2.365 178.653 176.300 -0.020 0.000 1.063 213 M CA 2.160 57.378 55.300 -0.135 0.000 1.110 213 M CB -1.378 31.015 32.600 -0.345 0.000 1.374 213 M HN 0.422 nan 8.290 nan 0.000 0.411 214 A N -0.225 122.589 122.820 -0.010 0.000 1.969 214 A HA -0.058 4.262 4.320 0.000 0.000 0.218 214 A C 2.192 179.816 177.584 0.068 0.000 1.169 214 A CA 0.920 52.983 52.037 0.044 0.000 0.635 214 A CB -0.796 18.221 19.000 0.028 0.000 0.810 214 A HN 0.471 nan 8.150 nan 0.000 0.445 215 L N -0.271 120.987 121.223 0.058 0.000 2.456 215 L HA -0.068 4.272 4.340 0.000 0.000 0.224 215 L C 2.053 178.986 176.870 0.104 0.000 1.148 215 L CA 0.235 55.122 54.840 0.079 0.000 0.825 215 L CB -0.309 41.806 42.059 0.093 0.000 0.937 215 L HN 0.399 nan 8.230 nan 0.000 0.450 216 L N -1.029 120.255 121.223 0.102 0.000 2.156 216 L HA -0.051 4.289 4.340 0.000 0.000 0.208 216 L C 0.370 177.299 176.870 0.100 0.000 1.095 216 L CA 0.891 55.792 54.840 0.102 0.000 0.770 216 L CB -0.025 42.089 42.059 0.092 0.000 0.914 216 L HN 0.189 nan 8.230 nan 0.000 0.439 217 D N -0.678 119.793 120.400 0.118 0.000 2.826 217 D HA 0.174 4.814 4.640 0.000 0.000 0.239 217 D C -2.601 173.847 176.300 0.247 0.000 1.329 217 D CA -1.064 53.023 54.000 0.145 0.000 0.854 217 D CB 1.289 42.149 40.800 0.101 0.000 1.494 217 D HN -0.120 nan 8.370 nan 0.000 0.540 218 P HA 0.169 nan 4.420 nan 0.000 0.279 218 P C -0.085 177.334 177.300 0.198 0.000 1.252 218 P CA -0.324 62.890 63.100 0.189 0.000 0.811 218 P CB 0.975 32.719 31.700 0.075 0.000 1.035 219 H N 2.773 121.759 119.070 -0.139 0.000 2.652 219 H HA 0.101 4.657 4.556 0.000 0.000 0.349 219 H C -1.462 173.721 175.328 -0.243 0.000 1.099 219 H CA -1.301 54.438 56.048 -0.515 0.000 1.417 219 H CB 0.783 29.974 29.762 -0.951 0.000 1.457 219 H HN 0.170 nan 8.280 nan 0.000 0.568 220 P HA -0.155 nan 4.420 nan 0.000 0.218 220 P C 0.883 178.120 177.300 -0.105 0.000 1.146 220 P CA 1.920 64.883 63.100 -0.227 0.000 0.820 220 P CB 0.039 31.570 31.700 -0.281 0.000 0.778 221 A N -1.309 121.536 122.820 0.042 0.000 2.167 221 A HA -0.029 4.291 4.320 0.000 0.000 0.214 221 A C 1.102 178.648 177.584 -0.063 0.000 1.151 221 A CA 0.232 52.273 52.037 0.007 0.000 0.735 221 A CB -1.047 17.953 19.000 -0.000 0.000 0.802 221 A HN 0.161 nan 8.150 nan 0.000 0.467 222 L N 0.951 122.137 121.223 -0.062 0.000 2.401 222 L HA 0.204 4.544 4.340 0.000 0.000 0.283 222 L C 0.876 177.662 176.870 -0.141 0.000 1.151 222 L CA 0.019 54.796 54.840 -0.105 0.000 0.942 222 L CB 0.014 42.026 42.059 -0.078 0.000 1.283 222 L HN 0.070 nan 8.230 nan 0.000 0.442 223 K N 2.918 123.213 120.400 -0.176 0.000 2.228 223 K HA 0.176 4.496 4.320 0.000 0.000 0.202 223 K C 0.203 176.571 176.600 -0.388 0.000 1.051 223 K CA 0.477 56.630 56.287 -0.224 0.000 0.960 223 K CB 0.252 32.666 32.500 -0.142 0.000 0.743 223 K HN 0.390 nan 8.250 nan 0.000 0.458 224 V N -0.414 119.244 119.914 -0.427 0.000 3.048 224 V HA 0.657 4.777 4.120 0.000 0.000 0.303 224 V C -1.939 173.900 176.094 -0.425 0.000 1.214 224 V CA -0.825 61.136 62.300 -0.565 0.000 0.984 224 V CB 2.189 33.493 31.823 -0.865 0.000 1.054 224 V HN 0.207 nan 8.190 nan 0.000 0.430 225 A N 4.084 126.804 122.820 -0.168 0.000 2.475 225 A HA 1.029 5.349 4.320 0.000 0.000 0.301 225 A C -0.550 177.171 177.584 0.228 0.000 1.059 225 A CA -0.149 51.910 52.037 0.037 0.000 0.710 225 A CB 2.120 21.081 19.000 -0.065 0.000 1.288 225 A HN 2.210 nan 8.150 nan 0.000 0.408 226 A N 2.394 125.373 122.820 0.265 0.000 2.876 226 A HA 0.696 5.016 4.320 0.000 0.000 0.309 226 A C -3.191 174.361 177.584 -0.054 0.000 1.168 226 A CA -1.205 50.900 52.037 0.113 0.000 0.762 226 A CB 0.558 19.704 19.000 0.243 0.000 1.262 226 A HN 0.414 nan 8.150 nan 0.000 0.435 227 P HA 0.355 nan 4.420 nan 0.000 0.282 227 P C -0.570 176.743 177.300 0.021 0.000 1.262 227 P CA 0.324 63.379 63.100 -0.075 0.000 0.773 227 P CB 0.787 32.390 31.700 -0.161 0.000 0.879 228 E N 1.631 121.866 120.200 0.058 0.000 2.113 228 E HA 0.271 4.621 4.350 0.000 0.000 0.273 228 E C -0.180 176.507 176.600 0.144 0.000 0.924 228 E CA -0.650 55.782 56.400 0.053 0.000 0.764 228 E CB 0.468 30.154 29.700 -0.025 0.000 1.104 228 E HN 0.284 nan 8.360 nan 0.000 0.406 229 S N 2.411 118.225 115.700 0.191 0.000 3.405 229 S HA -0.143 4.327 4.470 0.000 0.000 0.373 229 S C -2.146 172.650 174.600 0.327 0.000 0.939 229 S CA 0.059 58.418 58.200 0.265 0.000 1.295 229 S CB -1.623 61.745 63.200 0.280 0.000 0.919 229 S HN 0.479 nan 8.310 nan 0.000 0.535 230 P HA 0.341 nan 4.420 nan 0.000 0.276 230 P C -0.169 177.340 177.300 0.348 0.000 1.244 230 P CA -0.821 62.503 63.100 0.374 0.000 0.801 230 P CB 0.582 32.539 31.700 0.429 0.000 1.006 231 M N 2.039 121.855 119.600 0.360 0.000 2.201 231 M HA 0.102 4.582 4.480 0.000 0.000 0.345 231 M C 0.860 177.381 176.300 0.368 0.000 1.352 231 M CA -0.258 55.190 55.300 0.248 0.000 1.218 231 M CB 0.437 33.105 32.600 0.115 0.000 1.512 231 M HN 0.094 nan 8.290 nan 0.000 0.447 232 V N 0.427 120.527 119.914 0.310 0.000 2.627 232 V HA 0.095 4.215 4.120 0.000 0.000 0.239 232 V C 0.416 176.680 176.094 0.283 0.000 1.077 232 V CA 1.061 63.564 62.300 0.338 0.000 1.103 232 V CB 0.314 32.340 31.823 0.339 0.000 0.802 232 V HN 0.719 nan 8.190 nan 0.000 0.482 233 D N -0.126 120.383 120.400 0.182 0.000 2.375 233 D HA 0.303 4.943 4.640 0.000 0.000 0.259 233 D C 0.994 177.255 176.300 -0.065 0.000 1.235 233 D CA 0.323 54.359 54.000 0.061 0.000 0.924 233 D CB 1.425 42.124 40.800 -0.169 0.000 1.143 233 D HN 0.200 nan 8.370 nan 0.000 0.529 234 G N 1.592 110.448 108.800 0.094 0.000 2.535 234 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 234 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 234 G C 1.075 175.966 174.900 -0.014 0.000 1.122 234 G CA 0.221 45.304 45.100 -0.028 0.000 0.769 234 G HN 0.519 nan 8.290 nan 0.000 0.549 235 W N -0.226 120.869 121.300 -0.342 0.000 2.644 235 W HA 0.266 4.926 4.660 0.000 0.000 0.279 235 W C 2.441 178.527 176.519 -0.721 0.000 1.164 235 W CA 0.195 57.209 57.345 -0.552 0.000 1.457 235 W CB 0.195 29.176 29.460 -0.798 0.000 1.087 235 W HN -0.037 nan 8.180 nan 0.000 0.573 236 M N -0.251 118.908 119.600 -0.735 0.000 2.086 236 M HA 0.067 4.547 4.480 0.000 0.000 0.261 236 M C 1.480 176.813 176.300 -1.611 0.000 1.067 236 M CA 2.062 56.462 55.300 -1.499 0.000 1.116 236 M CB -1.388 29.845 32.600 -2.279 0.000 1.348 236 M HN 0.276 nan 8.290 nan 0.000 0.407 237 G N -1.319 106.745 108.800 -1.225 0.000 5.371 237 G HA2 0.102 4.062 3.960 0.000 0.000 0.208 237 G HA3 0.102 4.062 3.960 0.000 0.000 0.208 237 G C -0.176 174.476 174.900 -0.415 0.000 0.815 237 G CA -0.369 44.185 45.100 -0.911 0.000 0.735 237 G HN 0.193 nan 8.290 nan 0.000 0.284 238 D N 0.090 120.350 120.400 -0.233 0.000 2.789 238 D HA 0.157 4.797 4.640 0.000 0.000 0.258 238 D C 1.131 177.346 176.300 -0.142 0.000 1.215 238 D CA -0.175 53.770 54.000 -0.092 0.000 1.113 238 D CB 0.608 41.345 40.800 -0.106 0.000 0.953 238 D HN -0.100 nan 8.370 nan 0.000 0.252 239 D N -0.650 119.466 120.400 -0.473 0.000 2.137 239 D HA -0.028 4.612 4.640 0.000 0.000 0.202 239 D C 2.249 178.197 176.300 -0.587 0.000 0.970 239 D CA 0.729 54.284 54.000 -0.740 0.000 0.837 239 D CB 0.156 40.141 40.800 -1.357 0.000 0.981 239 D HN 0.372 nan 8.370 nan 0.000 0.475 240 W N -0.068 121.173 121.300 -0.099 0.000 2.488 240 W HA 0.109 4.769 4.660 -0.000 0.000 0.304 240 W C 0.750 176.925 176.519 -0.572 0.000 1.175 240 W CA -0.450 56.738 57.345 -0.262 0.000 1.365 240 W CB -0.216 29.294 29.460 0.083 0.000 1.131 240 W HN -0.224 nan 8.180 nan 0.000 0.520 241 F N -1.355 118.562 119.950 -0.054 0.000 2.631 241 F HA 0.469 4.996 4.527 0.000 0.000 0.328 241 F C -0.217 175.470 175.800 -0.188 0.000 1.067 241 F CA -1.328 56.531 58.000 -0.235 0.000 0.969 241 F CB 1.237 39.773 39.000 -0.773 0.000 1.332 241 F HN -0.272 nan 8.300 nan 0.000 0.490 242 H N 1.019 119.982 119.070 -0.178 0.000 3.177 242 H HA 0.180 4.736 4.556 0.000 0.000 0.314 242 H C -1.205 173.919 175.328 -0.339 0.000 1.059 242 H CA -0.731 55.173 56.048 -0.239 0.000 1.515 242 H CB 0.774 30.587 29.762 0.085 0.000 1.672 242 H HN 0.689 nan 8.280 nan 0.000 0.514 243 Y N 1.683 121.632 120.300 -0.585 0.000 3.825 243 Y HA -0.312 4.238 4.550 0.000 0.000 0.221 243 Y C 1.541 176.931 175.900 -0.851 0.000 1.195 243 Y CA 1.729 59.422 58.100 -0.678 0.000 1.699 243 Y CB -1.651 36.573 38.460 -0.393 0.000 1.531 243 Y HN 1.089 nan 8.280 nan 0.000 0.640 244 G N -2.134 105.893 108.800 -1.288 0.000 2.234 244 G HA2 -0.023 3.937 3.960 0.000 0.000 0.235 244 G HA3 -0.023 3.937 3.960 0.000 0.000 0.235 244 G C 0.361 175.194 174.900 -0.112 0.000 0.997 244 G CA -0.156 44.333 45.100 -1.019 0.000 0.623 244 G HN 1.537 nan 8.290 nan 0.000 0.514 245 A N 0.579 123.390 122.820 -0.016 0.000 2.347 245 A HA 0.631 4.952 4.320 0.000 0.000 0.287 245 A C -0.054 177.737 177.584 0.345 0.000 1.199 245 A CA -0.268 51.874 52.037 0.175 0.000 0.851 245 A CB 0.091 19.094 19.000 0.005 0.000 1.118 245 A HN 1.321 nan 8.150 nan 0.000 0.525 246 F N 2.977 123.012 119.950 0.141 0.000 2.495 246 F HA 0.335 4.862 4.527 0.000 0.000 0.365 246 F C 0.784 176.428 175.800 -0.260 0.000 1.090 246 F CA -0.120 57.750 58.000 -0.217 0.000 1.235 246 F CB 0.588 39.492 39.000 -0.160 0.000 1.119 246 F HN 0.571 nan 8.300 nan 0.000 0.562 247 R N 5.842 125.512 120.500 -1.384 0.000 2.235 247 R HA 0.109 4.449 4.340 0.000 0.000 0.338 247 R C 1.041 176.180 176.300 -1.935 0.000 1.087 247 R CA -0.151 55.082 56.100 -1.446 0.000 0.948 247 R CB 0.531 30.190 30.300 -1.067 0.000 1.099 247 R HN 0.785 nan 8.270 nan 0.000 0.483 248 Q N 1.167 120.047 119.800 -1.534 0.000 2.443 248 Q HA -0.115 4.225 4.340 0.000 0.000 0.213 248 Q C 1.643 176.734 176.000 -1.515 0.000 0.982 248 Q CA 1.197 56.188 55.803 -1.352 0.000 0.894 248 Q CB 0.210 28.268 28.738 -1.132 0.000 0.947 248 Q HN 0.838 nan 8.270 nan 0.000 0.480 249 G N 0.180 107.902 108.800 -1.798 0.000 2.744 249 G HA2 0.012 3.972 3.960 0.000 0.000 0.211 249 G HA3 0.012 3.972 3.960 0.000 0.000 0.211 249 G C 1.325 175.545 174.900 -1.133 0.000 1.143 249 G CA 0.513 44.394 45.100 -2.032 0.000 0.788 249 G HN 0.371 nan 8.290 nan 0.000 0.534 250 A N 0.626 122.806 122.820 -1.066 0.000 2.015 250 A HA 0.165 4.485 4.320 0.000 0.000 0.219 250 A C 1.947 178.877 177.584 -1.090 0.000 1.163 250 A CA 0.811 52.301 52.037 -0.911 0.000 0.646 250 A CB -0.422 18.070 19.000 -0.846 0.000 0.806 250 A HN 0.243 nan 8.150 nan 0.000 0.448 251 F N 0.808 120.359 119.950 -0.665 0.000 2.126 251 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 251 F C 2.139 177.798 175.800 -0.234 0.000 1.096 251 F CA 1.258 59.020 58.000 -0.397 0.000 1.255 251 F CB -0.712 38.230 39.000 -0.098 0.000 0.997 251 F HN 0.244 nan 8.300 nan 0.000 0.479 252 D N -1.417 118.961 120.400 -0.037 0.000 2.144 252 D HA -0.220 4.420 4.640 0.000 0.000 0.200 252 D C 2.134 178.454 176.300 0.034 0.000 0.978 252 D CA 1.067 55.065 54.000 -0.003 0.000 0.833 252 D CB -0.515 40.254 40.800 -0.051 0.000 0.961 252 D HN 0.313 nan 8.370 nan 0.000 0.470 253 Y N 0.554 120.780 120.300 -0.124 0.000 2.242 253 Y HA -0.220 4.330 4.550 -0.000 0.000 0.291 253 Y C 2.002 178.037 175.900 0.226 0.000 1.137 253 Y CA 1.217 59.339 58.100 0.038 0.000 1.181 253 Y CB -0.221 38.265 38.460 0.044 0.000 0.989 253 Y HN -0.172 nan 8.280 nan 0.000 0.527 254 F N -0.885 119.159 119.950 0.157 0.000 2.102 254 F HA -0.190 4.337 4.527 0.000 0.000 0.298 254 F C 2.449 178.209 175.800 -0.066 0.000 1.105 254 F CA 1.193 59.231 58.000 0.063 0.000 1.239 254 F CB -1.388 37.646 39.000 0.058 0.000 0.991 254 F HN -0.118 nan 8.300 nan 0.000 0.474 255 V N -0.457 119.490 119.914 0.054 0.000 2.548 255 V HA -0.191 3.929 4.120 0.000 0.000 0.249 255 V C 2.448 178.579 176.094 0.062 0.000 1.055 255 V CA 1.688 63.968 62.300 -0.034 0.000 1.065 255 V CB -0.954 30.812 31.823 -0.094 0.000 0.681 255 V HN 0.460 nan 8.190 nan 0.000 0.462 256 S N -0.836 114.882 115.700 0.030 0.000 2.436 256 S HA -0.131 4.339 4.470 0.000 0.000 0.228 256 S C 1.825 176.417 174.600 -0.014 0.000 1.014 256 S CA 0.948 59.154 58.200 0.010 0.000 0.950 256 S CB -0.070 63.132 63.200 0.003 0.000 0.784 256 S HN 0.618 nan 8.310 nan 0.000 0.504 257 Q N -0.536 119.237 119.800 -0.046 0.000 2.350 257 Q HA 0.351 4.691 4.340 0.000 0.000 0.225 257 Q C 0.973 177.012 176.000 0.066 0.000 0.878 257 Q CA 0.382 56.154 55.803 -0.051 0.000 0.935 257 Q CB 0.353 28.979 28.738 -0.187 0.000 1.099 257 Q HN 0.609 nan 8.270 nan 0.000 0.527 258 M N -0.643 119.073 119.600 0.192 0.000 2.496 258 M HA 0.133 4.613 4.480 0.000 0.000 0.330 258 M C 1.031 177.510 176.300 0.298 0.000 1.133 258 M CA 0.099 55.575 55.300 0.294 0.000 0.964 258 M CB 0.827 33.660 32.600 0.389 0.000 1.401 258 M HN -0.120 nan 8.290 nan 0.000 0.520 259 T N 0.873 115.567 114.554 0.233 0.000 2.896 259 T HA 0.239 4.589 4.350 0.000 0.000 0.263 259 T C 0.767 175.477 174.700 0.016 0.000 1.050 259 T CA 1.019 63.217 62.100 0.163 0.000 1.140 259 T CB 0.228 69.190 68.868 0.156 0.000 0.877 259 T HN 0.481 nan 8.240 nan 0.000 0.457 260 A N -0.213 122.590 122.820 -0.028 0.000 2.567 260 A HA 0.707 5.027 4.320 0.000 0.000 0.289 260 A C 0.822 178.310 177.584 -0.159 0.000 1.177 260 A CA -0.658 51.327 52.037 -0.086 0.000 0.694 260 A CB 0.819 19.761 19.000 -0.096 0.000 1.292 260 A HN 0.054 nan 8.150 nan 0.000 0.425 261 R N -0.436 119.957 120.500 -0.178 0.000 2.081 261 R HA -0.032 4.308 4.340 0.000 0.000 0.235 261 R C 1.258 177.260 176.300 -0.496 0.000 1.131 261 R CA 2.004 57.959 56.100 -0.242 0.000 0.960 261 R CB -0.371 29.835 30.300 -0.157 0.000 0.856 261 R HN 0.855 nan 8.270 nan 0.000 0.436 262 G N -1.002 107.485 108.800 -0.521 0.000 2.829 262 G HA2 0.359 4.319 3.960 0.000 0.000 0.173 262 G HA3 0.359 4.319 3.960 0.000 0.000 0.173 262 G C -0.393 174.025 174.900 -0.804 0.000 1.476 262 G CA -0.200 44.346 45.100 -0.923 0.000 1.072 262 G HN 0.388 nan 8.290 nan 0.000 0.577 263 G N -1.363 107.217 108.800 -0.367 0.000 2.527 263 G HA2 0.520 4.480 3.960 0.000 0.000 0.248 263 G HA3 0.520 4.480 3.960 0.000 0.000 0.248 263 G C 0.041 174.904 174.900 -0.061 0.000 1.231 263 G CA 0.539 45.601 45.100 -0.063 0.000 0.838 263 G HN 0.895 nan 8.290 nan 0.000 0.570 264 G N 0.096 108.891 108.800 -0.009 0.000 2.658 264 G HA2 0.536 4.496 3.960 0.000 0.000 0.292 264 G HA3 0.536 4.496 3.960 0.000 0.000 0.292 264 G C -0.740 174.176 174.900 0.026 0.000 1.320 264 G CA -0.804 44.301 45.100 0.008 0.000 0.933 264 G HN 0.563 nan 8.290 nan 0.000 0.476 265 N N -0.304 118.413 118.700 0.028 0.000 2.476 265 N HA 0.332 5.072 4.740 0.000 0.000 0.276 265 N C -0.855 174.669 175.510 0.024 0.000 1.204 265 N CA -0.413 52.651 53.050 0.024 0.000 0.974 265 N CB 1.858 40.355 38.487 0.017 0.000 1.204 265 N HN 0.404 nan 8.380 nan 0.000 0.543 266 D N 0.142 120.553 120.400 0.019 0.000 2.377 266 D HA 0.315 4.955 4.640 0.000 0.000 0.245 266 D C 0.046 176.351 176.300 0.009 0.000 1.196 266 D CA -0.090 53.921 54.000 0.019 0.000 0.962 266 D CB 0.858 41.669 40.800 0.019 0.000 1.127 266 D HN 0.284 nan 8.370 nan 0.000 0.471 267 I N 2.385 122.963 120.570 0.015 0.000 2.396 267 I HA 0.158 4.328 4.170 0.000 0.000 0.289 267 I C -1.858 174.252 176.117 -0.012 0.000 1.056 267 I CA -1.585 59.708 61.300 -0.012 0.000 1.365 267 I CB 0.743 38.746 38.000 0.004 0.000 1.407 267 I HN 0.140 nan 8.210 nan 0.000 0.509 268 P HA 0.130 nan 4.420 nan 0.000 0.264 268 P C -0.744 176.528 177.300 -0.047 0.000 1.193 268 P CA -0.126 62.950 63.100 -0.040 0.000 0.763 268 P CB 0.463 32.131 31.700 -0.054 0.000 0.810 269 R N 2.447 122.935 120.500 -0.021 0.000 2.668 269 R HA 0.362 4.702 4.340 0.000 0.000 0.279 269 R C 1.076 177.363 176.300 -0.022 0.000 0.976 269 R CA -0.808 55.285 56.100 -0.010 0.000 0.978 269 R CB 1.380 31.692 30.300 0.019 0.000 1.133 269 R HN 0.395 nan 8.270 nan 0.000 0.484 270 R N 0.295 120.784 120.500 -0.019 0.000 2.075 270 R HA 0.079 4.419 4.340 0.000 0.000 0.220 270 R C 0.120 176.419 176.300 -0.001 0.000 1.118 270 R CA 1.242 57.332 56.100 -0.018 0.000 0.986 270 R CB 0.188 30.474 30.300 -0.023 0.000 0.884 270 R HN 0.592 nan 8.270 nan 0.000 0.439 271 D N -1.324 119.084 120.400 0.013 0.000 2.299 271 D HA 0.285 4.925 4.640 0.000 0.000 0.243 271 D C -0.026 176.282 176.300 0.014 0.000 0.982 271 D CA 0.162 54.174 54.000 0.021 0.000 0.924 271 D CB 2.189 43.015 40.800 0.044 0.000 1.238 271 D HN 0.266 nan 8.370 nan 0.000 0.484 272 A N 2.061 124.885 122.820 0.007 0.000 2.066 272 A HA -0.054 4.266 4.320 0.000 0.000 0.218 272 A C 0.773 178.344 177.584 -0.022 0.000 1.157 272 A CA 0.819 52.849 52.037 -0.012 0.000 0.670 272 A CB 0.061 19.053 19.000 -0.013 0.000 0.804 272 A HN 0.495 nan 8.150 nan 0.000 0.453 273 D N -0.529 119.880 120.400 0.015 0.000 2.274 273 D HA 0.303 4.943 4.640 0.000 0.000 0.239 273 D C -0.190 176.157 176.300 0.078 0.000 1.104 273 D CA -0.449 53.575 54.000 0.040 0.000 0.840 273 D CB 0.933 41.788 40.800 0.091 0.000 1.100 273 D HN -0.010 nan 8.370 nan 0.000 0.477 274 D N 2.300 122.716 120.400 0.027 0.000 2.347 274 D HA -0.128 4.512 4.640 0.000 0.000 0.215 274 D C 1.189 177.620 176.300 0.218 0.000 0.976 274 D CA 0.467 54.528 54.000 0.101 0.000 0.884 274 D CB 0.017 40.766 40.800 -0.086 0.000 0.915 274 D HN 0.552 nan 8.370 nan 0.000 0.526 275 Y N 1.116 121.479 120.300 0.104 0.000 2.220 275 Y HA -0.167 4.383 4.550 0.000 0.000 0.291 275 Y C 2.204 178.294 175.900 0.317 0.000 1.129 275 Y CA 1.502 59.740 58.100 0.230 0.000 1.161 275 Y CB -0.205 38.392 38.460 0.227 0.000 0.997 275 Y HN -0.144 nan 8.280 nan 0.000 0.522 276 T N 0.704 115.507 114.554 0.415 0.000 2.737 276 T HA -0.151 4.199 4.350 0.000 0.000 0.265 276 T C 1.659 176.476 174.700 0.194 0.000 1.038 276 T CA 1.395 63.664 62.100 0.281 0.000 1.144 276 T CB -0.317 68.671 68.868 0.200 0.000 0.866 276 T HN 0.333 nan 8.240 nan 0.000 0.434 277 N N 0.872 119.673 118.700 0.167 0.000 2.069 277 N HA -0.040 4.700 4.740 0.000 0.000 0.191 277 N C 1.582 177.134 175.510 0.071 0.000 1.031 277 N CA 1.291 54.400 53.050 0.098 0.000 0.852 277 N CB -0.539 37.983 38.487 0.058 0.000 1.018 277 N HN 0.353 nan 8.380 nan 0.000 0.423 278 F N 0.393 120.383 119.950 0.068 0.000 2.259 278 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 278 F C 2.112 178.065 175.800 0.255 0.000 1.088 278 F CA 0.162 58.203 58.000 0.068 0.000 1.358 278 F CB -0.272 38.594 39.000 -0.224 0.000 1.040 278 F HN -0.008 nan 8.300 nan 0.000 0.505 279 L N 0.357 121.831 121.223 0.418 0.000 2.109 279 L HA -0.121 4.219 4.340 0.000 0.000 0.207 279 L C 2.152 179.045 176.870 0.040 0.000 1.086 279 L CA 1.806 56.724 54.840 0.130 0.000 0.760 279 L CB -0.644 41.375 42.059 -0.067 0.000 0.910 279 L HN -0.052 nan 8.230 nan 0.000 0.437 280 K N -0.980 119.467 120.400 0.079 0.000 2.097 280 K HA -0.045 4.275 4.320 0.000 0.000 0.205 280 K C 1.998 178.627 176.600 0.048 0.000 1.050 280 K CA 1.070 57.383 56.287 0.043 0.000 0.938 280 K CB -0.165 32.363 32.500 0.048 0.000 0.718 280 K HN 0.437 nan 8.250 nan 0.000 0.442 281 A N 0.445 123.322 122.820 0.095 0.000 1.969 281 A HA 0.044 4.364 4.320 0.000 0.000 0.218 281 A C 1.485 179.142 177.584 0.121 0.000 1.169 281 A CA 1.922 54.025 52.037 0.109 0.000 0.635 281 A CB -0.431 18.687 19.000 0.197 0.000 0.810 281 A HN 0.486 nan 8.150 nan 0.000 0.445 282 G N -1.162 107.707 108.800 0.114 0.000 4.045 282 G HA2 -0.184 3.776 3.960 0.000 0.000 0.261 282 G HA3 -0.184 3.776 3.960 0.000 0.000 0.261 282 G C 0.719 175.731 174.900 0.187 0.000 1.772 282 G CA 0.740 45.875 45.100 0.060 0.000 1.264 282 G HN 1.752 nan 8.290 nan 0.000 0.609 283 S N 1.103 116.998 115.700 0.324 0.000 2.713 283 S HA 0.794 5.264 4.470 0.000 0.000 0.283 283 S C 1.574 176.478 174.600 0.507 0.000 1.161 283 S CA 0.559 59.031 58.200 0.454 0.000 0.999 283 S CB 1.707 65.176 63.200 0.447 0.000 1.039 283 S HN 2.094 nan 8.310 nan 0.000 0.548 284 A N 1.002 124.194 122.820 0.619 0.000 1.930 284 A HA 0.191 4.511 4.320 0.000 0.000 0.217 284 A C 2.111 180.098 177.584 0.671 0.000 1.175 284 A CA 1.521 54.038 52.037 0.799 0.000 0.627 284 A CB -1.737 17.827 19.000 0.940 0.000 0.815 284 A HN 1.144 nan 8.150 nan 0.000 0.443 285 G N -1.241 107.955 108.800 0.659 0.000 2.422 285 G HA2 -0.114 3.846 3.960 0.000 0.000 0.218 285 G HA3 -0.114 3.846 3.960 0.000 0.000 0.218 285 G C 1.829 176.894 174.900 0.275 0.000 1.140 285 G CA 1.299 46.731 45.100 0.553 0.000 0.775 285 G HN 0.512 nan 8.290 nan 0.000 0.545 286 S N -0.616 115.241 115.700 0.262 0.000 2.406 286 S HA -0.020 4.450 4.470 0.000 0.000 0.228 286 S C 1.927 176.553 174.600 0.043 0.000 1.020 286 S CA 0.836 59.122 58.200 0.144 0.000 0.965 286 S CB -0.314 62.989 63.200 0.172 0.000 0.798 286 S HN 0.384 nan 8.310 nan 0.000 0.488 287 F N 2.168 122.067 119.950 -0.085 0.000 2.163 287 F HA 0.116 4.643 4.527 -0.000 0.000 0.297 287 F C 2.231 177.734 175.800 -0.495 0.000 1.094 287 F CA 1.102 58.937 58.000 -0.275 0.000 1.290 287 F CB -0.684 38.156 39.000 -0.267 0.000 1.017 287 F HN 0.239 nan 8.300 nan 0.000 0.483 288 A N -0.331 122.162 122.820 -0.544 0.000 1.908 288 A HA -0.194 4.126 4.320 0.000 0.000 0.218 288 A C 2.181 179.479 177.584 -0.477 0.000 1.181 288 A CA 2.396 53.889 52.037 -0.906 0.000 0.627 288 A CB -1.452 16.834 19.000 -1.189 0.000 0.818 288 A HN 0.432 nan 8.150 nan 0.000 0.445 289 T N -0.316 114.094 114.554 -0.240 0.000 2.708 289 T HA -0.171 4.179 4.350 0.000 0.000 0.266 289 T C 2.048 176.625 174.700 -0.204 0.000 1.037 289 T CA 1.732 63.748 62.100 -0.140 0.000 1.146 289 T CB -0.250 68.585 68.868 -0.056 0.000 0.865 289 T HN 0.603 nan 8.240 nan 0.000 0.435 290 Q N 0.130 119.761 119.800 -0.282 0.000 2.291 290 Q HA 0.078 4.418 4.340 0.000 0.000 0.206 290 Q C 2.200 177.965 176.000 -0.393 0.000 0.976 290 Q CA 1.059 56.672 55.803 -0.316 0.000 0.875 290 Q CB -0.100 28.424 28.738 -0.357 0.000 0.927 290 Q HN 0.526 nan 8.270 nan 0.000 0.450 291 A N -0.670 121.843 122.820 -0.512 0.000 2.275 291 A HA 0.333 4.653 4.320 0.000 0.000 0.212 291 A C 1.295 178.724 177.584 -0.259 0.000 1.201 291 A CA 0.601 52.359 52.037 -0.464 0.000 0.843 291 A CB -0.042 18.577 19.000 -0.634 0.000 0.873 291 A HN 0.384 nan 8.150 nan 0.000 0.492 292 G N -0.856 107.826 108.800 -0.198 0.000 2.198 292 G HA2 -0.230 3.730 3.960 0.000 0.000 0.257 292 G HA3 -0.230 3.730 3.960 0.000 0.000 0.257 292 G C 0.525 175.448 174.900 0.039 0.000 1.042 292 G CA 0.465 45.527 45.100 -0.063 0.000 0.791 292 G HN 0.458 nan 8.290 nan 0.000 0.502 293 L N -0.485 120.690 121.223 -0.080 0.000 2.558 293 L HA 0.166 4.506 4.340 0.000 0.000 0.225 293 L C 2.098 179.134 176.870 0.277 0.000 1.128 293 L CA 0.520 55.344 54.840 -0.027 0.000 0.868 293 L CB 0.064 41.852 42.059 -0.452 0.000 1.006 293 L HN 0.102 nan 8.230 nan 0.000 0.454 294 D N 0.152 120.676 120.400 0.206 0.000 2.263 294 D HA -0.206 4.434 4.640 0.000 0.000 0.208 294 D C 2.013 178.412 176.300 0.166 0.000 0.971 294 D CA 0.918 55.049 54.000 0.218 0.000 0.867 294 D CB 0.131 40.973 40.800 0.071 0.000 0.929 294 D HN 0.549 nan 8.370 nan 0.000 0.492 295 Q N -0.764 119.143 119.800 0.178 0.000 2.425 295 Q HA -0.070 4.270 4.340 0.000 0.000 0.204 295 Q C -0.208 175.817 176.000 0.041 0.000 0.933 295 Q CA 0.099 55.942 55.803 0.066 0.000 0.939 295 Q CB -0.125 28.608 28.738 -0.008 0.000 1.044 295 Q HN 0.202 nan 8.270 nan 0.000 0.513 296 Y N 2.015 122.363 120.300 0.080 0.000 2.404 296 Y HA 0.219 4.769 4.550 0.000 0.000 0.344 296 Y C -1.553 174.391 175.900 0.073 0.000 0.995 296 Y CA -2.441 55.713 58.100 0.090 0.000 1.201 296 Y CB 1.243 39.784 38.460 0.135 0.000 1.151 296 Y HN 0.036 nan 8.280 nan 0.000 0.517 297 P HA -0.246 nan 4.420 nan 0.000 0.216 297 P C 1.626 178.960 177.300 0.058 0.000 1.153 297 P CA 1.408 64.541 63.100 0.056 0.000 0.858 297 P CB 0.039 31.760 31.700 0.035 0.000 0.789 298 F N -0.994 118.926 119.950 -0.050 0.000 2.186 298 F HA -0.111 4.416 4.527 0.000 0.000 0.299 298 F C 2.219 177.919 175.800 -0.166 0.000 1.090 298 F CA 1.082 58.989 58.000 -0.156 0.000 1.307 298 F CB -0.728 38.099 39.000 -0.288 0.000 1.019 298 F HN 0.002 nan 8.300 nan 0.000 0.489 299 W N 1.152 122.275 121.300 -0.295 0.000 2.388 299 W HA -0.194 4.466 4.660 0.000 0.000 0.294 299 W C 1.894 178.277 176.519 -0.228 0.000 1.212 299 W CA 1.323 58.506 57.345 -0.270 0.000 1.271 299 W CB -0.366 29.079 29.460 -0.025 0.000 1.126 299 W HN 0.129 nan 8.180 nan 0.000 0.535 300 Q N 0.291 119.872 119.800 -0.366 0.000 2.135 300 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 300 Q C 2.345 178.054 176.000 -0.484 0.000 0.981 300 Q CA 1.879 57.406 55.803 -0.460 0.000 0.856 300 Q CB -0.272 28.324 28.738 -0.237 0.000 0.902 300 Q HN 0.299 nan 8.270 nan 0.000 0.425 301 R N -0.003 120.208 120.500 -0.482 0.000 2.073 301 R HA -0.042 4.298 4.340 0.000 0.000 0.229 301 R C 2.257 178.149 176.300 -0.680 0.000 1.120 301 R CA 1.262 56.998 56.100 -0.607 0.000 0.967 301 R CB -0.303 29.616 30.300 -0.635 0.000 0.862 301 R HN 0.328 nan 8.270 nan 0.000 0.436 302 M N 0.285 119.515 119.600 -0.616 0.000 2.132 302 M HA -0.188 4.292 4.480 0.000 0.000 0.263 302 M C 2.412 178.547 176.300 -0.275 0.000 1.065 302 M CA 1.680 56.846 55.300 -0.224 0.000 1.122 302 M CB -0.305 32.252 32.600 -0.072 0.000 1.365 302 M HN 0.189 nan 8.290 nan 0.000 0.411 303 H N 0.080 118.572 119.070 -0.963 0.000 2.387 303 H HA -0.090 4.466 4.556 0.000 0.000 0.299 303 H C 1.587 176.652 175.328 -0.439 0.000 1.090 303 H CA 1.860 57.276 56.048 -1.053 0.000 1.332 303 H CB 0.098 28.983 29.762 -1.463 0.000 1.386 303 H HN 0.538 nan 8.280 nan 0.000 0.516 304 A N 0.362 122.905 122.820 -0.463 0.000 2.119 304 A HA -0.039 4.281 4.320 0.000 0.000 0.216 304 A C 0.396 177.614 177.584 -0.610 0.000 1.152 304 A CA 0.364 52.088 52.037 -0.523 0.000 0.708 304 A CB -0.066 18.584 19.000 -0.584 0.000 0.805 304 A HN 0.468 nan 8.150 nan 0.000 0.460 305 H N -0.501 118.473 119.070 -0.160 0.000 2.348 305 H HA 0.208 4.764 4.556 0.000 0.000 0.232 305 H C -2.157 173.398 175.328 0.379 0.000 1.419 305 H CA -1.475 54.590 56.048 0.027 0.000 1.416 305 H CB 0.795 30.447 29.762 -0.184 0.000 1.510 305 H HN 0.338 nan 8.280 nan 0.000 0.507 306 P HA 0.049 nan 4.420 nan 0.000 0.231 306 P C 0.655 178.218 177.300 0.438 0.000 1.168 306 P CA 0.400 63.766 63.100 0.443 0.000 0.779 306 P CB 0.804 32.683 31.700 0.299 0.000 0.844 307 A N -0.541 122.489 122.820 0.350 0.000 2.269 307 A HA 0.369 4.689 4.320 0.000 0.000 0.327 307 A C -0.741 176.607 177.584 -0.394 0.000 1.112 307 A CA -0.579 51.545 52.037 0.145 0.000 0.865 307 A CB -0.011 19.163 19.000 0.289 0.000 1.227 307 A HN -0.032 nan 8.150 nan 0.000 0.498 308 Y N 2.283 121.805 120.300 -1.296 0.000 2.889 308 Y HA 0.162 4.712 4.550 0.000 0.000 0.367 308 Y C 0.222 175.865 175.900 -0.429 0.000 1.197 308 Y CA -1.028 56.274 58.100 -1.329 0.000 1.993 308 Y CB -1.118 36.376 38.460 -1.611 0.000 2.112 308 Y HN 0.770 nan 8.280 nan 0.000 0.413 309 D N -0.295 119.968 120.400 -0.228 0.000 2.496 309 D HA 0.276 4.916 4.640 0.000 0.000 0.283 309 D C 1.592 177.744 176.300 -0.247 0.000 1.214 309 D CA 0.067 53.973 54.000 -0.156 0.000 1.089 309 D CB -0.082 40.724 40.800 0.011 0.000 1.141 309 D HN 0.160 nan 8.370 nan 0.000 0.580 310 A N -0.933 121.785 122.820 -0.170 0.000 1.986 310 A HA -0.155 4.165 4.320 0.000 0.000 0.220 310 A C 1.993 179.426 177.584 -0.252 0.000 1.171 310 A CA 1.524 53.449 52.037 -0.187 0.000 0.640 310 A CB -1.271 17.662 19.000 -0.112 0.000 0.811 310 A HN 0.537 nan 8.150 nan 0.000 0.451 311 F N -1.249 118.376 119.950 -0.542 0.000 2.134 311 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 311 F C 1.844 177.269 175.800 -0.625 0.000 1.097 311 F CA 1.676 59.224 58.000 -0.753 0.000 1.264 311 F CB -0.292 37.838 39.000 -1.450 0.000 1.001 311 F HN 0.403 nan 8.300 nan 0.000 0.479 312 W N 0.045 121.154 121.300 -0.318 0.000 2.576 312 W HA 0.062 4.722 4.660 0.000 0.000 0.275 312 W C 2.459 178.724 176.519 -0.424 0.000 1.241 312 W CA 0.330 57.494 57.345 -0.302 0.000 1.328 312 W CB -0.510 28.846 29.460 -0.172 0.000 1.092 312 W HN -0.070 nan 8.180 nan 0.000 0.586 313 Q N -0.121 119.407 119.800 -0.453 0.000 2.167 313 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 313 Q C 2.304 178.195 176.000 -0.183 0.000 0.970 313 Q CA 1.405 56.935 55.803 -0.456 0.000 0.855 313 Q CB -0.551 27.901 28.738 -0.476 0.000 0.911 313 Q HN 0.351 nan 8.270 nan 0.000 0.438 314 G N -0.336 108.349 108.800 -0.191 0.000 2.920 314 G HA2 -0.137 3.823 3.960 0.000 0.000 0.208 314 G HA3 -0.137 3.823 3.960 0.000 0.000 0.208 314 G C 0.907 175.756 174.900 -0.086 0.000 1.159 314 G CA -0.008 45.013 45.100 -0.132 0.000 0.784 314 G HN 0.247 nan 8.290 nan 0.000 0.535 315 Q N -0.584 119.184 119.800 -0.053 0.000 2.217 315 Q HA 0.321 4.661 4.340 0.000 0.000 0.217 315 Q C 0.924 177.038 176.000 0.191 0.000 0.844 315 Q CA -0.335 55.506 55.803 0.064 0.000 0.957 315 Q CB 1.108 29.868 28.738 0.036 0.000 1.127 315 Q HN 0.322 nan 8.270 nan 0.000 0.503 316 A N 1.479 124.399 122.820 0.167 0.000 2.655 316 A HA 0.125 4.445 4.320 0.000 0.000 0.297 316 A C 1.013 178.719 177.584 0.202 0.000 1.461 316 A CA 0.008 52.175 52.037 0.217 0.000 1.146 316 A CB -0.391 18.744 19.000 0.225 0.000 1.108 316 A HN 0.385 nan 8.150 nan 0.000 0.550 317 L N 1.110 122.476 121.223 0.239 0.000 2.261 317 L HA -0.183 4.157 4.340 0.000 0.000 0.216 317 L C 2.057 179.051 176.870 0.206 0.000 1.114 317 L CA 1.377 56.356 54.840 0.232 0.000 0.777 317 L CB -0.471 41.759 42.059 0.286 0.000 0.910 317 L HN 0.797 nan 8.230 nan 0.000 0.440 318 D N 0.088 120.611 120.400 0.206 0.000 2.149 318 D HA -0.190 4.450 4.640 0.000 0.000 0.201 318 D C 1.925 178.305 176.300 0.132 0.000 0.972 318 D CA 1.056 55.148 54.000 0.153 0.000 0.835 318 D CB -0.090 40.822 40.800 0.187 0.000 0.966 318 D HN 0.142 nan 8.370 nan 0.000 0.476 319 K N 0.189 120.680 120.400 0.151 0.000 2.116 319 K HA 0.189 4.509 4.320 0.000 0.000 0.203 319 K C 2.294 178.955 176.600 0.102 0.000 1.052 319 K CA 0.351 56.712 56.287 0.123 0.000 0.952 319 K CB -0.085 32.494 32.500 0.131 0.000 0.729 319 K HN 0.169 nan 8.250 nan 0.000 0.446 320 I N 0.144 120.780 120.570 0.110 0.000 2.202 320 I HA -0.223 3.947 4.170 0.000 0.000 0.242 320 I C 1.967 178.147 176.117 0.104 0.000 1.091 320 I CA 0.600 61.959 61.300 0.098 0.000 1.368 320 I CB -0.170 37.890 38.000 0.100 0.000 1.058 320 I HN 0.081 nan 8.210 nan 0.000 0.410 321 L N 1.271 122.571 121.223 0.129 0.000 2.083 321 L HA -0.135 4.205 4.340 0.000 0.000 0.209 321 L C 2.477 179.419 176.870 0.120 0.000 1.083 321 L CA 2.051 56.978 54.840 0.145 0.000 0.752 321 L CB -0.787 41.397 42.059 0.208 0.000 0.899 321 L HN 0.199 nan 8.230 nan 0.000 0.433 322 A N -1.573 121.304 122.820 0.095 0.000 2.015 322 A HA -0.206 4.114 4.320 0.000 0.000 0.219 322 A C 2.224 179.844 177.584 0.060 0.000 1.163 322 A CA 1.485 53.562 52.037 0.066 0.000 0.646 322 A CB -0.424 18.601 19.000 0.043 0.000 0.806 322 A HN 0.600 nan 8.150 nan 0.000 0.448 323 Q N -1.021 118.818 119.800 0.065 0.000 2.245 323 Q HA 0.018 4.358 4.340 0.000 0.000 0.201 323 Q C 2.096 178.130 176.000 0.057 0.000 0.955 323 Q CA 0.611 56.448 55.803 0.056 0.000 0.870 323 Q CB 0.119 28.889 28.738 0.055 0.000 0.945 323 Q HN 0.436 nan 8.270 nan 0.000 0.461 324 R N 0.640 121.181 120.500 0.068 0.000 2.153 324 R HA 0.052 4.392 4.340 0.000 0.000 0.218 324 R C -0.055 176.284 176.300 0.065 0.000 1.072 324 R CA 0.425 56.566 56.100 0.068 0.000 0.990 324 R CB 0.040 30.388 30.300 0.080 0.000 0.889 324 R HN 0.113 nan 8.270 nan 0.000 0.452 325 K N 1.296 121.738 120.400 0.070 0.000 4.361 325 K HA -0.100 4.220 4.320 0.000 0.000 0.294 325 K C -2.340 174.301 176.600 0.070 0.000 0.970 325 K CA 0.130 56.456 56.287 0.065 0.000 0.913 325 K CB -0.967 31.563 32.500 0.050 0.000 1.583 325 K HN 0.270 nan 8.250 nan 0.000 0.438 326 P HA 0.076 nan 4.420 nan 0.000 0.276 326 P C 0.510 177.849 177.300 0.066 0.000 1.244 326 P CA -0.097 63.051 63.100 0.080 0.000 0.801 326 P CB 0.838 32.600 31.700 0.103 0.000 1.006 327 T N -3.370 111.209 114.554 0.042 0.000 3.132 327 T HA 0.208 4.558 4.350 0.000 0.000 0.274 327 T C 0.402 175.093 174.700 -0.014 0.000 1.011 327 T CA -0.242 61.873 62.100 0.024 0.000 0.899 327 T CB -0.361 68.519 68.868 0.019 0.000 1.089 327 T HN 0.088 nan 8.240 nan 0.000 0.543 328 V N 3.902 123.803 119.914 -0.021 0.000 2.406 328 V HA 0.342 4.462 4.120 0.000 0.000 0.272 328 V C -2.297 173.745 176.094 -0.087 0.000 1.043 328 V CA -2.167 60.076 62.300 -0.094 0.000 0.915 328 V CB 0.976 32.751 31.823 -0.081 0.000 0.988 328 V HN 0.221 nan 8.190 nan 0.000 0.466 329 P HA 0.097 nan 4.420 nan 0.000 0.261 329 P C -0.489 176.866 177.300 0.091 0.000 1.173 329 P CA 0.621 63.674 63.100 -0.078 0.000 0.760 329 P CB 0.290 31.680 31.700 -0.515 0.000 0.783 330 M N 2.841 122.579 119.600 0.229 0.000 2.602 330 M HA 0.472 4.952 4.480 0.000 0.000 0.312 330 M C -0.387 175.978 176.300 0.108 0.000 1.181 330 M CA -0.557 54.804 55.300 0.102 0.000 0.910 330 M CB 2.225 34.789 32.600 -0.060 0.000 1.723 330 M HN 0.130 nan 8.290 nan 0.000 0.459 331 L N 2.305 123.497 121.223 -0.052 0.000 2.490 331 L HA 0.403 4.743 4.340 0.000 0.000 0.256 331 L C -1.822 174.963 176.870 -0.142 0.000 1.089 331 L CA -0.242 54.545 54.840 -0.087 0.000 0.916 331 L CB 0.772 42.825 42.059 -0.011 0.000 1.188 331 L HN 0.777 nan 8.230 nan 0.000 0.476 332 W N 3.374 124.686 121.300 0.019 0.000 2.238 332 W HA 0.340 5.000 4.660 -0.000 0.000 0.321 332 W C 0.659 177.106 176.519 -0.121 0.000 1.293 332 W CA 0.124 57.468 57.345 -0.001 0.000 1.204 332 W CB 0.731 30.227 29.460 0.060 0.000 1.167 332 W HN 0.315 nan 8.180 nan 0.000 0.553 333 E N 3.145 123.426 120.200 0.134 0.000 2.331 333 E HA 0.308 4.658 4.350 0.000 0.000 0.275 333 E C -1.305 175.336 176.600 0.068 0.000 0.895 333 E CA -0.725 55.669 56.400 -0.011 0.000 0.753 333 E CB 2.205 31.814 29.700 -0.153 0.000 1.216 333 E HN 0.670 nan 8.360 nan 0.000 0.434 334 Q N 1.384 121.210 119.800 0.043 0.000 2.527 334 Q HA 0.631 4.971 4.340 0.000 0.000 0.280 334 Q C -0.861 175.180 176.000 0.068 0.000 0.977 334 Q CA -1.096 54.762 55.803 0.091 0.000 0.837 334 Q CB 0.906 29.697 28.738 0.088 0.000 1.454 334 Q HN 0.469 nan 8.270 nan 0.000 0.387 335 G N 1.064 109.942 108.800 0.130 0.000 2.476 335 G HA2 0.384 4.344 3.960 0.000 0.000 0.269 335 G HA3 0.384 4.344 3.960 0.000 0.000 0.269 335 G C 0.267 175.093 174.900 -0.123 0.000 1.195 335 G CA -0.849 44.292 45.100 0.068 0.000 0.843 335 G HN 0.653 nan 8.290 nan 0.000 0.545 336 L N 0.270 121.283 121.223 -0.350 0.000 2.275 336 L HA 0.027 4.367 4.340 0.000 0.000 0.215 336 L C 1.026 177.561 176.870 -0.558 0.000 1.119 336 L CA 0.675 55.178 54.840 -0.562 0.000 0.790 336 L CB 0.045 41.549 42.059 -0.924 0.000 0.919 336 L HN 0.539 nan 8.230 nan 0.000 0.443 337 W N -0.055 121.166 121.300 -0.132 0.000 1.931 337 W HA 0.210 4.870 4.660 0.000 0.000 0.346 337 W C -0.047 176.405 176.519 -0.113 0.000 0.775 337 W CA -0.957 56.303 57.345 -0.142 0.000 2.738 337 W CB 0.032 29.397 29.460 -0.159 0.000 1.908 337 W HN -0.072 nan 8.180 nan 0.000 0.665 338 D N 2.446 122.904 120.400 0.097 0.000 2.348 338 D HA -0.044 4.596 4.640 0.000 0.000 0.259 338 D C 1.645 177.983 176.300 0.064 0.000 1.296 338 D CA 0.502 54.579 54.000 0.129 0.000 0.931 338 D CB 1.033 41.933 40.800 0.167 0.000 1.067 338 D HN 0.187 nan 8.370 nan 0.000 0.503 339 Q N 2.733 122.516 119.800 -0.029 0.000 2.482 339 Q HA -0.071 4.269 4.340 0.000 0.000 0.209 339 Q C 0.225 176.214 176.000 -0.018 0.000 0.961 339 Q CA 1.004 56.727 55.803 -0.134 0.000 0.945 339 Q CB 0.282 28.743 28.738 -0.462 0.000 1.012 339 Q HN 0.578 nan 8.270 nan 0.000 0.515 340 E N -0.033 120.136 120.200 -0.051 0.000 2.414 340 E HA 0.115 4.465 4.350 0.000 0.000 0.208 340 E C -0.239 176.273 176.600 -0.146 0.000 0.820 340 E CA 0.090 56.382 56.400 -0.181 0.000 1.143 340 E CB 0.742 30.081 29.700 -0.603 0.000 1.150 340 E HN 0.240 nan 8.360 nan 0.000 0.540 341 D N 0.663 121.056 120.400 -0.012 0.000 2.772 341 D HA 0.115 4.755 4.640 0.000 0.000 0.326 341 D C 0.403 176.814 176.300 0.186 0.000 1.207 341 D CA -0.031 54.033 54.000 0.107 0.000 0.777 341 D CB 1.093 41.993 40.800 0.167 0.000 1.169 341 D HN 0.001 nan 8.370 nan 0.000 0.506 342 M N 0.120 119.838 119.600 0.197 0.000 2.175 342 M HA -0.032 4.448 4.480 0.000 0.000 0.264 342 M C 1.727 178.152 176.300 0.209 0.000 1.063 342 M CA 1.463 56.876 55.300 0.188 0.000 1.119 342 M CB -0.031 32.702 32.600 0.222 0.000 1.377 342 M HN 0.398 nan 8.290 nan 0.000 0.415 343 W N 0.530 121.836 121.300 0.011 0.000 2.409 343 W HA -0.021 4.639 4.660 -0.000 0.000 0.299 343 W C 1.714 178.324 176.519 0.151 0.000 1.203 343 W CA 1.690 59.059 57.345 0.039 0.000 1.298 343 W CB -1.022 28.301 29.460 -0.227 0.000 1.127 343 W HN 0.340 nan 8.180 nan 0.000 0.528 344 G N 1.476 110.489 108.800 0.354 0.000 3.025 344 G HA2 -0.436 3.524 3.960 0.000 0.000 0.219 344 G HA3 -0.436 3.524 3.960 0.000 0.000 0.219 344 G C 1.621 176.639 174.900 0.196 0.000 1.229 344 G CA 2.760 48.037 45.100 0.295 0.000 0.764 344 G HN 0.409 nan 8.290 nan 0.000 0.857 345 A N 0.159 123.104 122.820 0.207 0.000 1.869 345 A HA -0.117 4.203 4.320 0.000 0.000 0.218 345 A C 2.543 180.102 177.584 -0.041 0.000 1.203 345 A CA 2.341 54.480 52.037 0.170 0.000 0.638 345 A CB -0.647 18.512 19.000 0.265 0.000 0.831 345 A HN 0.813 nan 8.150 nan 0.000 0.450 346 I N -1.403 119.150 120.570 -0.028 0.000 2.163 346 I HA -0.320 3.850 4.170 0.000 0.000 0.243 346 I C 2.301 178.340 176.117 -0.130 0.000 1.085 346 I CA 2.360 63.619 61.300 -0.069 0.000 1.347 346 I CB -0.184 37.736 38.000 -0.133 0.000 1.044 346 I HN 0.515 nan 8.210 nan 0.000 0.408 347 H N 0.085 119.015 119.070 -0.233 0.000 2.428 347 H HA 0.066 4.622 4.556 0.000 0.000 0.296 347 H C 2.163 177.376 175.328 -0.192 0.000 1.062 347 H CA 1.275 57.155 56.048 -0.279 0.000 1.350 347 H CB -0.190 29.245 29.762 -0.544 0.000 1.403 347 H HN 0.467 nan 8.280 nan 0.000 0.533 348 A N 0.135 122.846 122.820 -0.181 0.000 1.897 348 A HA -0.158 4.162 4.320 0.000 0.000 0.215 348 A C 2.090 179.306 177.584 -0.612 0.000 1.181 348 A CA 1.227 53.006 52.037 -0.430 0.000 0.620 348 A CB -0.991 17.533 19.000 -0.794 0.000 0.821 348 A HN 0.678 nan 8.150 nan 0.000 0.443 349 W N 0.619 121.364 121.300 -0.925 0.000 2.381 349 W HA -0.164 4.496 4.660 0.000 0.000 0.301 349 W C 2.139 178.497 176.519 -0.269 0.000 1.205 349 W CA 1.924 58.854 57.345 -0.692 0.000 1.285 349 W CB -0.199 28.957 29.460 -0.507 0.000 1.133 349 W HN 0.377 nan 8.180 nan 0.000 0.521 350 Q N 0.938 120.581 119.800 -0.262 0.000 2.084 350 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 350 Q C 2.284 178.077 176.000 -0.345 0.000 0.978 350 Q CA 2.645 58.186 55.803 -0.438 0.000 0.844 350 Q CB -0.807 27.820 28.738 -0.185 0.000 0.898 350 Q HN 0.291 nan 8.270 nan 0.000 0.426 351 A N -0.083 122.612 122.820 -0.208 0.000 1.933 351 A HA -0.127 4.193 4.320 0.000 0.000 0.218 351 A C 2.040 179.547 177.584 -0.129 0.000 1.175 351 A CA 1.374 53.342 52.037 -0.115 0.000 0.628 351 A CB -0.675 18.306 19.000 -0.031 0.000 0.814 351 A HN 0.450 nan 8.150 nan 0.000 0.444 352 L N -1.019 120.101 121.223 -0.171 0.000 2.156 352 L HA -0.097 4.243 4.340 0.000 0.000 0.208 352 L C 2.560 179.326 176.870 -0.173 0.000 1.095 352 L CA 1.493 56.269 54.840 -0.108 0.000 0.770 352 L CB -0.263 41.784 42.059 -0.019 0.000 0.914 352 L HN 0.386 nan 8.230 nan 0.000 0.439 353 K N -0.086 120.099 120.400 -0.358 0.000 2.103 353 K HA -0.158 4.162 4.320 0.000 0.000 0.204 353 K C 1.460 177.923 176.600 -0.228 0.000 1.052 353 K CA 1.274 57.334 56.287 -0.377 0.000 0.945 353 K CB 0.129 32.196 32.500 -0.722 0.000 0.722 353 K HN 0.219 nan 8.250 nan 0.000 0.443 354 D N 0.153 120.429 120.400 -0.205 0.000 2.224 354 D HA -0.073 4.567 4.640 0.000 0.000 0.205 354 D C 1.216 177.473 176.300 -0.071 0.000 0.965 354 D CA 0.845 54.772 54.000 -0.122 0.000 0.852 354 D CB 0.123 40.862 40.800 -0.101 0.000 0.947 354 D HN 0.252 nan 8.370 nan 0.000 0.494 355 A N 0.383 123.165 122.820 -0.063 0.000 2.278 355 A HA 0.040 4.360 4.320 0.000 0.000 0.212 355 A C 0.188 177.761 177.584 -0.018 0.000 1.213 355 A CA 0.137 52.159 52.037 -0.026 0.000 0.840 355 A CB -0.093 18.903 19.000 -0.007 0.000 0.866 355 A HN 0.027 nan 8.150 nan 0.000 0.489 356 D N -0.986 119.393 120.400 -0.034 0.000 2.812 356 D HA -0.143 4.497 4.640 0.000 0.000 0.237 356 D C -0.136 176.168 176.300 0.005 0.000 1.162 356 D CA 0.847 54.837 54.000 -0.017 0.000 0.740 356 D CB -1.563 39.234 40.800 -0.005 0.000 1.000 356 D HN 0.355 nan 8.370 nan 0.000 0.416 357 V N 2.004 121.921 119.914 0.006 0.000 2.599 357 V HA 0.015 4.135 4.120 0.000 0.000 0.300 357 V C 0.958 177.085 176.094 0.054 0.000 1.034 357 V CA 0.317 62.640 62.300 0.039 0.000 1.115 357 V CB 0.871 32.729 31.823 0.060 0.000 0.934 357 V HN 0.171 nan 8.190 nan 0.000 0.485 358 K N 6.190 126.624 120.400 0.058 0.000 3.165 358 K HA 0.562 4.882 4.320 0.000 0.000 0.259 358 K C -0.214 176.430 176.600 0.074 0.000 1.282 358 K CA 0.310 56.635 56.287 0.062 0.000 1.259 358 K CB 0.355 32.885 32.500 0.050 0.000 1.546 358 K HN 0.773 nan 8.250 nan 0.000 0.384 359 A N 0.988 123.865 122.820 0.095 0.000 2.605 359 A HA 0.505 4.825 4.320 0.000 0.000 0.294 359 A C -2.935 174.747 177.584 0.164 0.000 1.062 359 A CA -1.297 50.805 52.037 0.108 0.000 0.682 359 A CB 1.040 20.089 19.000 0.082 0.000 1.278 359 A HN 0.013 nan 8.150 nan 0.000 0.410 360 P HA 0.204 nan 4.420 nan 0.000 0.263 360 P C -0.807 176.676 177.300 0.305 0.000 1.195 360 P CA 0.601 63.877 63.100 0.292 0.000 0.762 360 P CB 0.229 32.189 31.700 0.434 0.000 0.799 361 N N 2.030 120.924 118.700 0.323 0.000 2.664 361 N HA 0.227 4.967 4.740 0.000 0.000 0.257 361 N C -1.393 174.484 175.510 0.613 0.000 1.108 361 N CA -0.253 53.069 53.050 0.453 0.000 0.822 361 N CB 0.570 39.260 38.487 0.338 0.000 1.199 361 N HN 0.064 nan 8.380 nan 0.000 0.529 362 T N 2.284 117.097 114.554 0.432 0.000 2.823 362 T HA 0.462 4.812 4.350 0.000 0.000 0.279 362 T C -0.690 174.003 174.700 -0.011 0.000 0.998 362 T CA -0.440 61.788 62.100 0.212 0.000 0.994 362 T CB 1.201 70.048 68.868 -0.035 0.000 0.960 362 T HN 0.337 nan 8.240 nan 0.000 0.448 363 L N 4.474 125.397 121.223 -0.499 0.000 2.296 363 L HA 0.767 5.107 4.340 0.000 0.000 0.286 363 L C -1.189 175.370 176.870 -0.518 0.000 1.023 363 L CA -0.420 53.996 54.840 -0.706 0.000 0.812 363 L CB 1.177 42.283 42.059 -1.590 0.000 1.223 363 L HN 0.420 nan 8.230 nan 0.000 0.421 364 V N 6.566 126.259 119.914 -0.368 0.000 2.487 364 V HA 0.542 4.662 4.120 0.000 0.000 0.298 364 V C -0.172 175.717 176.094 -0.341 0.000 1.028 364 V CA -0.402 61.674 62.300 -0.374 0.000 0.860 364 V CB 1.649 33.216 31.823 -0.426 0.000 0.991 364 V HN 0.799 nan 8.190 nan 0.000 0.427 365 M N 4.095 123.478 119.600 -0.360 0.000 2.106 365 M HA 0.567 5.047 4.480 0.000 0.000 0.288 365 M C 0.284 176.222 176.300 -0.604 0.000 0.941 365 M CA -0.189 54.861 55.300 -0.416 0.000 0.934 365 M CB 2.029 34.370 32.600 -0.433 0.000 1.551 365 M HN 0.774 nan 8.290 nan 0.000 0.437 366 G N 2.365 110.463 108.800 -1.170 0.000 2.552 366 G HA2 0.715 4.675 3.960 0.000 0.000 0.318 366 G HA3 0.715 4.675 3.960 0.000 0.000 0.318 366 G C -2.729 171.144 174.900 -1.711 0.000 1.240 366 G CA -1.273 42.594 45.100 -2.055 0.000 1.002 366 G HN 0.413 nan 8.290 nan 0.000 0.493 367 P HA 0.202 nan 4.420 nan 0.000 0.212 367 P C -0.945 175.954 177.300 -0.670 0.000 1.816 367 P CA -0.169 62.212 63.100 -1.197 0.000 0.944 367 P CB -0.117 30.377 31.700 -2.009 0.000 1.896 368 W N 1.585 122.820 121.300 -0.108 0.000 2.820 368 W HA 0.455 5.115 4.660 -0.000 0.000 0.350 368 W C 0.716 177.295 176.519 0.101 0.000 1.116 368 W CA -0.807 56.547 57.345 0.015 0.000 1.146 368 W CB 0.636 30.083 29.460 -0.021 0.000 1.433 368 W HN 0.011 nan 8.180 nan 0.000 0.561 369 R N -0.239 120.465 120.500 0.340 0.000 2.524 369 R HA 0.372 4.712 4.340 0.000 0.000 0.236 369 R C -0.097 176.344 176.300 0.234 0.000 1.240 369 R CA -0.749 55.480 56.100 0.215 0.000 1.111 369 R CB -0.275 30.091 30.300 0.110 0.000 1.436 369 R HN 0.353 nan 8.270 nan 0.000 0.573 370 H N -0.150 118.978 119.070 0.098 0.000 3.070 370 H HA 0.048 4.604 4.556 0.000 0.000 0.313 370 H C -0.223 175.198 175.328 0.155 0.000 0.997 370 H CA 1.451 57.574 56.048 0.125 0.000 1.438 370 H CB 0.185 30.014 29.762 0.112 0.000 1.455 370 H HN 0.708 nan 8.280 nan 0.000 0.575 371 S N 1.870 117.393 115.700 -0.296 0.000 3.127 371 S HA -0.246 4.224 4.470 0.000 0.000 0.281 371 S C 1.860 176.497 174.600 0.062 0.000 1.293 371 S CA 0.980 59.081 58.200 -0.164 0.000 1.156 371 S CB -1.677 61.425 63.200 -0.164 0.000 1.389 371 S HN 1.024 nan 8.310 nan 0.000 0.672 372 G N 0.345 109.198 108.800 0.088 0.000 2.501 372 G HA2 -0.094 3.866 3.960 0.000 0.000 0.220 372 G HA3 -0.094 3.866 3.960 0.000 0.000 0.220 372 G C 1.175 175.880 174.900 -0.325 0.000 1.114 372 G CA 0.978 46.126 45.100 0.081 0.000 0.757 372 G HN 0.656 nan 8.290 nan 0.000 0.559 373 V N 0.940 120.539 119.914 -0.525 0.000 2.759 373 V HA -0.065 4.055 4.120 0.000 0.000 0.256 373 V C 1.614 177.412 176.094 -0.492 0.000 1.080 373 V CA 1.582 63.332 62.300 -0.917 0.000 1.101 373 V CB -0.256 31.162 31.823 -0.677 0.000 0.698 373 V HN 0.367 nan 8.190 nan 0.000 0.477 374 N N -1.368 117.102 118.700 -0.382 0.000 2.268 374 N HA 0.139 4.879 4.740 0.000 0.000 0.204 374 N C -0.227 174.792 175.510 -0.818 0.000 1.124 374 N CA 0.225 52.958 53.050 -0.529 0.000 0.838 374 N CB 0.452 38.578 38.487 -0.602 0.000 0.994 374 N HN 0.568 nan 8.380 nan 0.000 0.489 375 Y N -0.326 119.897 120.300 -0.127 0.000 3.321 375 Y HA 0.315 4.865 4.550 0.000 0.000 0.273 375 Y C 0.522 176.385 175.900 -0.062 0.000 2.038 375 Y CA -1.041 57.016 58.100 -0.071 0.000 0.871 375 Y CB 0.108 38.540 38.460 -0.047 0.000 1.458 375 Y HN -0.237 nan 8.280 nan 0.000 0.600 376 N N 0.474 119.282 118.700 0.180 0.000 2.425 376 N HA 0.245 4.985 4.740 0.000 0.000 0.268 376 N C -0.065 175.538 175.510 0.155 0.000 0.991 376 N CA 0.101 53.226 53.050 0.125 0.000 0.931 376 N CB 1.536 40.087 38.487 0.107 0.000 1.130 376 N HN 0.859 nan 8.380 nan 0.000 0.493 377 G N 1.493 110.410 108.800 0.195 0.000 3.609 377 G HA2 0.018 3.978 3.960 0.000 0.000 0.280 377 G HA3 0.018 3.978 3.960 0.000 0.000 0.280 377 G C 0.921 176.054 174.900 0.388 0.000 1.155 377 G CA -0.198 45.121 45.100 0.364 0.000 0.876 377 G HN 0.508 nan 8.290 nan 0.000 0.535 378 S N -0.066 115.803 115.700 0.282 0.000 2.395 378 S HA 0.047 4.517 4.470 0.000 0.000 0.225 378 S C 1.575 176.294 174.600 0.199 0.000 1.027 378 S CA 1.257 59.598 58.200 0.234 0.000 0.965 378 S CB 0.150 63.426 63.200 0.126 0.000 0.812 378 S HN 0.678 nan 8.310 nan 0.000 0.482 379 T N -0.950 113.697 114.554 0.155 0.000 2.864 379 T HA 0.736 5.086 4.350 0.000 0.000 0.289 379 T C -1.442 173.327 174.700 0.116 0.000 1.082 379 T CA -0.802 61.270 62.100 -0.047 0.000 1.009 379 T CB 1.883 70.691 68.868 -0.100 0.000 1.234 379 T HN -0.009 nan 8.240 nan 0.000 0.526 380 L N 0.765 121.956 121.223 -0.052 0.000 2.845 380 L HA 0.578 4.918 4.340 0.000 0.000 0.253 380 L C 0.441 177.205 176.870 -0.177 0.000 0.959 380 L CA 1.462 56.299 54.840 -0.005 0.000 1.001 380 L CB 0.645 42.805 42.059 0.169 0.000 1.374 380 L HN 1.590 nan 8.230 nan 0.000 0.469 381 G N 5.517 114.234 108.800 -0.138 0.000 2.556 381 G HA2 -0.256 3.704 3.960 0.000 0.000 0.283 381 G HA3 -0.256 3.704 3.960 0.000 0.000 0.283 381 G C -1.736 173.056 174.900 -0.180 0.000 1.177 381 G CA 0.187 45.197 45.100 -0.150 0.000 0.978 381 G HN 0.587 nan 8.290 nan 0.000 0.554 382 P HA 0.259 nan 4.420 nan 0.000 0.245 382 P C 0.965 178.062 177.300 -0.338 0.000 1.206 382 P CA 0.273 63.226 63.100 -0.245 0.000 0.781 382 P CB 0.063 31.608 31.700 -0.259 0.000 0.994 383 L N 0.452 121.420 121.223 -0.425 0.000 2.439 383 L HA 0.199 4.539 4.340 0.000 0.000 0.269 383 L C 0.626 177.061 176.870 -0.724 0.000 1.179 383 L CA 0.184 54.683 54.840 -0.568 0.000 0.828 383 L CB 0.185 41.863 42.059 -0.635 0.000 1.106 383 L HN -0.114 nan 8.230 nan 0.000 0.467 384 E N 1.571 121.337 120.200 -0.723 0.000 2.224 384 E HA 0.467 4.817 4.350 0.000 0.000 0.265 384 E C -1.372 174.884 176.600 -0.573 0.000 0.878 384 E CA -0.491 55.554 56.400 -0.592 0.000 0.759 384 E CB 1.685 31.222 29.700 -0.271 0.000 1.164 384 E HN 0.192 nan 8.360 nan 0.000 0.414 385 F N 0.547 120.490 119.950 -0.011 0.000 2.518 385 F HA 0.313 4.840 4.527 0.000 0.000 0.338 385 F C 0.976 176.806 175.800 0.050 0.000 1.065 385 F CA -1.064 56.941 58.000 0.008 0.000 1.012 385 F CB 0.680 39.584 39.000 -0.160 0.000 1.297 385 F HN 0.205 nan 8.300 nan 0.000 0.489 386 E N 1.817 122.215 120.200 0.330 0.000 1.775 386 E HA 0.360 4.710 4.350 0.000 0.000 0.266 386 E C 0.594 177.326 176.600 0.220 0.000 1.191 386 E CA 0.262 56.800 56.400 0.230 0.000 1.048 386 E CB -0.262 29.568 29.700 0.217 0.000 1.081 386 E HN 0.788 nan 8.360 nan 0.000 0.434 387 G N 3.281 112.191 108.800 0.183 0.000 2.782 387 G HA2 -0.266 3.694 3.960 0.000 0.000 0.228 387 G HA3 -0.266 3.694 3.960 0.000 0.000 0.228 387 G C -0.335 174.697 174.900 0.220 0.000 1.372 387 G CA -0.538 44.672 45.100 0.183 0.000 0.862 387 G HN 0.503 nan 8.290 nan 0.000 0.547 388 D N 0.934 121.469 120.400 0.224 0.000 2.398 388 D HA 0.328 4.968 4.640 0.000 0.000 0.250 388 D C 2.172 178.677 176.300 0.343 0.000 1.287 388 D CA 0.851 55.004 54.000 0.256 0.000 0.992 388 D CB 0.034 40.969 40.800 0.225 0.000 1.071 388 D HN 0.723 nan 8.370 nan 0.000 0.514 389 T N 0.663 115.448 114.554 0.384 0.000 2.867 389 T HA -0.112 4.238 4.350 0.000 0.000 0.268 389 T C 1.816 176.990 174.700 0.791 0.000 1.057 389 T CA 0.895 63.339 62.100 0.573 0.000 1.136 389 T CB 0.004 68.982 68.868 0.183 0.000 0.874 389 T HN 0.247 nan 8.240 nan 0.000 0.466 390 A N 1.459 124.576 122.820 0.494 0.000 1.873 390 A HA -0.057 4.263 4.320 0.000 0.000 0.215 390 A C 2.244 179.921 177.584 0.155 0.000 1.186 390 A CA 1.826 53.880 52.037 0.028 0.000 0.616 390 A CB -1.191 17.587 19.000 -0.370 0.000 0.823 390 A HN 0.700 nan 8.150 nan 0.000 0.442 391 H N -0.435 118.690 119.070 0.091 0.000 2.423 391 H HA -0.045 4.511 4.556 0.000 0.000 0.297 391 H C 2.072 177.441 175.328 0.068 0.000 1.075 391 H CA 2.024 58.099 56.048 0.044 0.000 1.342 391 H CB -0.200 29.585 29.762 0.039 0.000 1.395 391 H HN 0.570 nan 8.280 nan 0.000 0.530 392 Q N -1.038 118.828 119.800 0.110 0.000 2.020 392 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 392 Q C 1.944 177.906 176.000 -0.065 0.000 0.982 392 Q CA 1.923 57.758 55.803 0.052 0.000 0.838 392 Q CB -0.343 28.603 28.738 0.347 0.000 0.899 392 Q HN 0.653 nan 8.270 nan 0.000 0.423 393 Y N 0.860 121.118 120.300 -0.069 0.000 2.181 393 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 393 Y C 1.964 177.788 175.900 -0.125 0.000 1.146 393 Y CA 1.470 59.449 58.100 -0.203 0.000 1.164 393 Y CB -0.020 38.413 38.460 -0.045 0.000 0.982 393 Y HN -0.083 nan 8.280 nan 0.000 0.515 394 R N -0.070 120.233 120.500 -0.327 0.000 2.096 394 R HA -0.153 4.187 4.340 0.000 0.000 0.235 394 R C 2.537 178.573 176.300 -0.441 0.000 1.127 394 R CA 1.670 57.556 56.100 -0.358 0.000 0.968 394 R CB -0.291 29.937 30.300 -0.119 0.000 0.861 394 R HN 0.359 nan 8.270 nan 0.000 0.440 395 R N 0.417 120.652 120.500 -0.441 0.000 2.090 395 R HA -0.066 4.274 4.340 0.000 0.000 0.219 395 R C 0.885 177.002 176.300 -0.306 0.000 1.100 395 R CA 1.316 57.166 56.100 -0.416 0.000 0.991 395 R CB 0.241 30.234 30.300 -0.511 0.000 0.893 395 R HN 0.130 nan 8.270 nan 0.000 0.443 396 D N -0.404 119.833 120.400 -0.271 0.000 2.271 396 D HA -0.024 4.616 4.640 0.000 0.000 0.206 396 D C 1.698 177.902 176.300 -0.159 0.000 0.967 396 D CA 0.745 54.634 54.000 -0.186 0.000 0.867 396 D CB 0.515 41.227 40.800 -0.147 0.000 0.960 396 D HN 0.107 nan 8.370 nan 0.000 0.509 397 V N 0.301 120.070 119.914 -0.243 0.000 2.840 397 V HA -0.014 4.106 4.120 0.000 0.000 0.234 397 V C 1.863 177.876 176.094 -0.135 0.000 1.159 397 V CA -0.051 62.146 62.300 -0.172 0.000 1.194 397 V CB -0.250 31.486 31.823 -0.145 0.000 0.971 397 V HN -0.048 nan 8.190 nan 0.000 0.494 398 F N 2.424 121.958 119.950 -0.693 0.000 2.025 398 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 398 F C 2.668 178.291 175.800 -0.295 0.000 1.132 398 F CA 2.660 60.321 58.000 -0.565 0.000 1.191 398 F CB -0.721 37.731 39.000 -0.913 0.000 0.963 398 F HN 0.103 nan 8.300 nan 0.000 0.481 399 R N 0.664 120.875 120.500 -0.482 0.000 2.094 399 R HA -0.156 4.184 4.340 0.000 0.000 0.239 399 R C -0.834 175.362 176.300 -0.174 0.000 1.137 399 R CA 2.335 58.072 56.100 -0.605 0.000 0.943 399 R CB -1.875 27.972 30.300 -0.755 0.000 0.850 399 R HN 0.220 nan 8.270 nan 0.000 0.433 400 P HA -0.086 nan 4.420 nan 0.000 0.218 400 P C 0.895 178.271 177.300 0.127 0.000 1.149 400 P CA 0.950 64.054 63.100 0.006 0.000 0.817 400 P CB -0.187 31.505 31.700 -0.012 0.000 0.785 401 F N -0.856 119.153 119.950 0.098 0.000 2.146 401 F HA -0.124 4.403 4.527 0.000 0.000 0.298 401 F C 1.919 177.944 175.800 0.374 0.000 1.096 401 F CA 1.341 59.476 58.000 0.226 0.000 1.275 401 F CB -0.766 38.425 39.000 0.319 0.000 1.008 401 F HN -0.228 nan 8.300 nan 0.000 0.480 402 F N 0.936 120.972 119.950 0.143 0.000 2.206 402 F HA -0.112 4.415 4.527 0.000 0.000 0.298 402 F C 2.287 178.146 175.800 0.099 0.000 1.090 402 F CA 1.488 59.563 58.000 0.125 0.000 1.323 402 F CB -1.005 38.133 39.000 0.229 0.000 1.028 402 F HN -0.068 nan 8.300 nan 0.000 0.492 403 D N -0.108 120.433 120.400 0.235 0.000 2.149 403 D HA -0.189 4.451 4.640 0.000 0.000 0.198 403 D C 2.218 178.480 176.300 -0.063 0.000 0.990 403 D CA 1.036 55.106 54.000 0.116 0.000 0.839 403 D CB -0.303 40.534 40.800 0.061 0.000 0.948 403 D HN 0.345 nan 8.370 nan 0.000 0.460 404 E N -0.922 119.158 120.200 -0.200 0.000 2.118 404 E HA -0.197 4.153 4.350 0.000 0.000 0.195 404 E C 1.082 177.327 176.600 -0.592 0.000 0.992 404 E CA 0.975 57.096 56.400 -0.464 0.000 0.804 404 E CB 0.062 29.332 29.700 -0.717 0.000 0.741 404 E HN 0.429 nan 8.360 nan 0.000 0.458 405 Y N -1.126 119.047 120.300 -0.212 0.000 2.481 405 Y HA 0.184 4.734 4.550 0.000 0.000 0.258 405 Y C 1.692 177.483 175.900 -0.181 0.000 1.103 405 Y CA 0.075 58.044 58.100 -0.219 0.000 1.287 405 Y CB 0.484 38.755 38.460 -0.315 0.000 1.108 405 Y HN -0.028 nan 8.280 nan 0.000 0.529 406 L N -0.706 120.499 121.223 -0.030 0.000 2.556 406 L HA 0.197 4.537 4.340 0.000 0.000 0.226 406 L C 0.136 176.941 176.870 -0.109 0.000 1.089 406 L CA 0.468 55.271 54.840 -0.062 0.000 0.864 406 L CB 0.319 42.369 42.059 -0.014 0.000 1.067 406 L HN -0.171 nan 8.230 nan 0.000 0.477 407 K N 1.147 121.492 120.400 -0.092 0.000 2.527 407 K HA 0.327 4.647 4.320 0.000 0.000 0.240 407 K C -2.497 174.047 176.600 -0.094 0.000 0.989 407 K CA -1.823 54.401 56.287 -0.105 0.000 0.985 407 K CB 1.624 34.071 32.500 -0.089 0.000 1.221 407 K HN -0.248 nan 8.250 nan 0.000 0.458 408 P HA -0.015 nan 4.420 nan 0.000 0.263 408 P C 0.649 177.906 177.300 -0.071 0.000 1.195 408 P CA 0.837 63.891 63.100 -0.078 0.000 0.762 408 P CB 0.815 32.475 31.700 -0.066 0.000 0.799 409 G N 1.665 110.422 108.800 -0.073 0.000 2.201 409 G HA2 -0.202 3.758 3.960 0.000 0.000 0.212 409 G HA3 -0.202 3.758 3.960 0.000 0.000 0.212 409 G C 0.454 175.314 174.900 -0.067 0.000 0.994 409 G CA -0.231 44.832 45.100 -0.062 0.000 0.644 409 G HN 0.552 nan 8.290 nan 0.000 0.508 410 S N 0.787 116.437 115.700 -0.082 0.000 2.593 410 S HA 0.639 5.109 4.470 0.000 0.000 0.269 410 S C 0.970 175.512 174.600 -0.097 0.000 1.334 410 S CA 0.232 58.382 58.200 -0.083 0.000 1.015 410 S CB 1.271 64.420 63.200 -0.085 0.000 0.912 410 S HN 1.592 nan 8.310 nan 0.000 0.541 411 A N 2.173 124.945 122.820 -0.082 0.000 2.498 411 A HA 0.328 4.648 4.320 0.000 0.000 0.239 411 A C 0.483 177.992 177.584 -0.124 0.000 1.068 411 A CA -0.078 51.911 52.037 -0.080 0.000 0.766 411 A CB 0.036 19.003 19.000 -0.056 0.000 1.003 411 A HN 0.608 nan 8.150 nan 0.000 0.497 412 S N 0.203 115.824 115.700 -0.131 0.000 2.489 412 S HA 0.457 4.927 4.470 0.000 0.000 0.277 412 S C 0.011 174.459 174.600 -0.254 0.000 1.230 412 S CA -0.369 57.695 58.200 -0.228 0.000 1.053 412 S CB 0.467 63.546 63.200 -0.203 0.000 0.955 412 S HN 1.142 nan 8.310 nan 0.000 0.488 413 V N 2.948 122.706 119.914 -0.260 0.000 2.483 413 V HA 0.579 4.699 4.120 0.000 0.000 0.295 413 V C -0.553 175.404 176.094 -0.227 0.000 1.035 413 V CA -0.682 61.538 62.300 -0.134 0.000 0.896 413 V CB 1.318 33.174 31.823 0.055 0.000 0.986 413 V HN 0.837 nan 8.190 nan 0.000 0.447 414 H N 5.204 124.353 119.070 0.133 0.000 2.643 414 H HA 0.460 5.016 4.556 0.000 0.000 0.259 414 H C -0.349 175.071 175.328 0.154 0.000 1.298 414 H CA -0.355 55.782 56.048 0.148 0.000 1.301 414 H CB 1.228 31.055 29.762 0.107 0.000 1.422 414 H HN 0.603 nan 8.280 nan 0.000 0.521 415 L N 4.562 125.928 121.223 0.239 0.000 2.426 415 L HA 0.140 4.480 4.340 0.000 0.000 0.271 415 L C -1.324 175.660 176.870 0.189 0.000 1.169 415 L CA -1.443 53.501 54.840 0.174 0.000 0.836 415 L CB 0.346 42.430 42.059 0.041 0.000 1.112 415 L HN 0.325 nan 8.230 nan 0.000 0.465 416 P HA 0.122 nan 4.420 nan 0.000 0.297 416 P C -0.059 177.356 177.300 0.192 0.000 1.303 416 P CA -0.422 62.792 63.100 0.190 0.000 0.753 416 P CB 0.859 32.678 31.700 0.198 0.000 1.281 417 D N -1.017 119.536 120.400 0.255 0.000 2.097 417 D HA 0.063 4.703 4.640 0.000 0.000 0.195 417 D C 0.485 176.933 176.300 0.247 0.000 0.989 417 D CA 1.471 55.703 54.000 0.386 0.000 0.827 417 D CB -0.228 40.865 40.800 0.490 0.000 0.966 417 D HN 0.518 nan 8.370 nan 0.000 0.456 418 A N -0.769 122.079 122.820 0.047 0.000 2.574 418 A HA 0.637 4.957 4.320 0.000 0.000 0.297 418 A C -1.377 176.010 177.584 -0.327 0.000 1.062 418 A CA -0.590 51.270 52.037 -0.294 0.000 0.686 418 A CB 1.230 19.856 19.000 -0.624 0.000 1.285 418 A HN 0.035 nan 8.150 nan 0.000 0.403 419 I N 2.489 122.793 120.570 -0.444 0.000 2.437 419 I HA 0.391 4.561 4.170 0.000 0.000 0.279 419 I C -1.129 174.793 176.117 -0.325 0.000 1.028 419 I CA -0.017 60.972 61.300 -0.519 0.000 1.142 419 I CB 1.001 38.596 38.000 -0.676 0.000 1.266 419 I HN 0.474 nan 8.210 nan 0.000 0.461 420 I N 5.504 125.909 120.570 -0.276 0.000 2.509 420 I HA 0.323 4.493 4.170 0.000 0.000 0.293 420 I C -0.521 175.483 176.117 -0.189 0.000 1.020 420 I CA -0.921 60.230 61.300 -0.250 0.000 1.088 420 I CB 1.637 39.378 38.000 -0.431 0.000 1.267 420 I HN 0.334 nan 8.210 nan 0.000 0.430 421 Y N 5.402 125.355 120.300 -0.577 0.000 2.336 421 Y HA 0.185 4.735 4.550 0.000 0.000 0.331 421 Y C 0.424 175.986 175.900 -0.563 0.000 1.211 421 Y CA 0.068 57.621 58.100 -0.911 0.000 1.346 421 Y CB 0.680 38.241 38.460 -1.498 0.000 1.271 421 Y HN 0.535 nan 8.280 nan 0.000 0.538 422 N N 3.347 121.497 118.700 -0.917 0.000 2.439 422 N HA 0.018 4.758 4.740 0.000 0.000 0.249 422 N C 0.371 175.627 175.510 -0.422 0.000 1.003 422 N CA 0.326 53.055 53.050 -0.536 0.000 0.942 422 N CB 1.138 39.359 38.487 -0.443 0.000 1.115 422 N HN 0.895 nan 8.380 nan 0.000 0.505 423 T N -0.159 114.332 114.554 -0.105 0.000 3.163 423 T HA 0.054 4.404 4.350 0.000 0.000 0.260 423 T C 1.312 176.115 174.700 0.172 0.000 1.156 423 T CA 0.647 62.858 62.100 0.184 0.000 1.072 423 T CB 0.186 69.195 68.868 0.234 0.000 0.937 423 T HN 0.458 nan 8.240 nan 0.000 0.528 424 G N 0.634 109.327 108.800 -0.178 0.000 2.907 424 G HA2 0.102 4.062 3.960 0.000 0.000 0.200 424 G HA3 0.102 4.062 3.960 0.000 0.000 0.200 424 G C 1.132 175.884 174.900 -0.248 0.000 1.101 424 G CA -0.008 44.852 45.100 -0.399 0.000 0.806 424 G HN 0.356 nan 8.290 nan 0.000 0.640 425 D N 0.628 120.873 120.400 -0.259 0.000 2.317 425 D HA 0.045 4.685 4.640 0.000 0.000 0.211 425 D C 0.495 176.668 176.300 -0.211 0.000 0.966 425 D CA 0.478 54.349 54.000 -0.214 0.000 0.876 425 D CB 0.169 40.839 40.800 -0.217 0.000 0.927 425 D HN 0.100 nan 8.370 nan 0.000 0.519 426 Q N -0.444 119.187 119.800 -0.281 0.000 2.464 426 Q HA -0.212 4.128 4.340 0.000 0.000 0.304 426 Q C -0.450 175.313 176.000 -0.394 0.000 1.401 426 Q CA 0.846 56.504 55.803 -0.241 0.000 0.806 426 Q CB -2.062 26.690 28.738 0.024 0.000 1.134 426 Q HN 0.591 nan 8.270 nan 0.000 0.411 427 K N -2.758 117.136 120.400 -0.844 0.000 2.607 427 K HA 0.595 4.915 4.320 0.000 0.000 0.287 427 K C -1.306 174.856 176.600 -0.730 0.000 0.996 427 K CA -1.020 54.927 56.287 -0.567 0.000 0.876 427 K CB 0.671 33.039 32.500 -0.221 0.000 1.496 427 K HN -0.021 nan 8.250 nan 0.000 0.415 428 W N 1.780 122.949 121.300 -0.219 0.000 2.311 428 W HA 0.264 4.924 4.660 0.000 0.000 0.310 428 W C -0.455 175.979 176.519 -0.142 0.000 1.274 428 W CA 0.199 57.463 57.345 -0.135 0.000 1.215 428 W CB 0.958 30.467 29.460 0.082 0.000 1.227 428 W HN 0.360 nan 8.180 nan 0.000 0.523 429 D N 2.457 122.828 120.400 -0.049 0.000 2.217 429 D HA 0.163 4.803 4.640 0.000 0.000 0.243 429 D C -1.199 174.867 176.300 -0.390 0.000 1.054 429 D CA -0.536 53.283 54.000 -0.301 0.000 0.838 429 D CB 1.271 41.695 40.800 -0.627 0.000 1.162 429 D HN 0.193 nan 8.370 nan 0.000 0.472 430 Y N 1.994 122.032 120.300 -0.436 0.000 2.587 430 Y HA 0.223 4.773 4.550 -0.000 0.000 0.328 430 Y C -0.506 175.222 175.900 -0.286 0.000 0.980 430 Y CA -0.747 57.186 58.100 -0.278 0.000 1.272 430 Y CB 0.374 38.757 38.460 -0.130 0.000 1.094 430 Y HN 0.214 nan 8.280 nan 0.000 0.503 431 Y N 2.629 122.962 120.300 0.055 0.000 2.367 431 Y HA 0.309 4.859 4.550 0.000 0.000 0.342 431 Y C 1.580 177.572 175.900 0.153 0.000 0.979 431 Y CA -0.825 57.344 58.100 0.115 0.000 1.161 431 Y CB 0.867 39.414 38.460 0.146 0.000 1.155 431 Y HN 0.504 nan 8.280 nan 0.000 0.503 432 R N 1.044 121.723 120.500 0.299 0.000 2.115 432 R HA -0.057 4.283 4.340 0.000 0.000 0.230 432 R C -0.011 176.442 176.300 0.256 0.000 1.111 432 R CA 0.883 57.124 56.100 0.236 0.000 0.976 432 R CB 0.196 30.602 30.300 0.176 0.000 0.870 432 R HN 0.519 nan 8.270 nan 0.000 0.445 433 S N -0.595 115.276 115.700 0.285 0.000 2.707 433 S HA 0.393 4.863 4.470 0.000 0.000 0.303 433 S C -2.071 172.724 174.600 0.326 0.000 1.132 433 S CA -0.718 57.635 58.200 0.255 0.000 1.046 433 S CB 0.716 64.008 63.200 0.154 0.000 1.004 433 S HN 0.297 nan 8.310 nan 0.000 0.483 434 W N 6.307 127.696 121.300 0.148 0.000 3.129 434 W HA 0.595 5.255 4.660 0.000 0.000 0.333 434 W C -2.947 173.683 176.519 0.184 0.000 1.141 434 W CA -1.581 55.812 57.345 0.080 0.000 1.224 434 W CB 1.572 31.058 29.460 0.044 0.000 1.393 434 W HN 0.465 nan 8.180 nan 0.000 0.499 435 P HA 0.213 nan 4.420 nan 0.000 0.279 435 P C 0.368 177.368 177.300 -0.501 0.000 1.252 435 P CA -0.228 62.130 63.100 -1.237 0.000 0.811 435 P CB 1.712 32.565 31.700 -1.411 0.000 1.035 436 S N 0.213 115.673 115.700 -0.400 0.000 2.470 436 S HA 0.094 4.564 4.470 0.000 0.000 0.225 436 S C 0.618 175.111 174.600 -0.178 0.000 1.006 436 S CA 0.325 58.412 58.200 -0.188 0.000 0.934 436 S CB -0.755 62.383 63.200 -0.104 0.000 0.778 436 S HN 0.378 nan 8.310 nan 0.000 0.517 437 V N -0.441 119.328 119.914 -0.242 0.000 2.760 437 V HA 0.886 5.006 4.120 0.000 0.000 0.309 437 V C -0.252 175.715 176.094 -0.211 0.000 1.077 437 V CA -0.847 61.345 62.300 -0.180 0.000 0.910 437 V CB 0.353 32.099 31.823 -0.129 0.000 1.008 437 V HN 0.851 nan 8.190 nan 0.000 0.424 438 C N 1.924 121.133 119.300 -0.151 0.000 3.260 438 C HA 0.556 5.016 4.460 0.000 0.000 0.366 438 C C 1.145 176.089 174.990 -0.078 0.000 1.537 438 C CA 0.041 58.977 59.018 -0.137 0.000 1.160 438 C CB 1.161 28.796 27.740 -0.175 0.000 1.760 438 C HN 0.963 nan 8.230 nan 0.000 0.432 439 E N 1.416 121.585 120.200 -0.051 0.000 2.038 439 E HA -0.023 4.327 4.350 0.000 0.000 0.195 439 E C 0.794 177.384 176.600 -0.016 0.000 1.000 439 E CA 2.230 58.624 56.400 -0.009 0.000 0.803 439 E CB -0.118 29.602 29.700 0.034 0.000 0.750 439 E HN 0.917 nan 8.360 nan 0.000 0.448 440 S N -1.071 114.613 115.700 -0.027 0.000 2.550 440 S HA 0.400 4.870 4.470 0.000 0.000 0.270 440 S C -0.613 173.963 174.600 -0.039 0.000 1.145 440 S CA -0.766 57.419 58.200 -0.026 0.000 0.852 440 S CB 1.630 64.822 63.200 -0.013 0.000 1.119 440 S HN 0.276 nan 8.310 nan 0.000 0.465 441 N N -1.125 117.554 118.700 -0.035 0.000 2.780 441 N HA -0.126 4.614 4.740 0.000 0.000 0.247 441 N C -0.811 174.667 175.510 -0.054 0.000 1.076 441 N CA 0.893 53.919 53.050 -0.039 0.000 0.688 441 N CB -1.895 36.569 38.487 -0.038 0.000 0.957 441 N HN 0.766 nan 8.380 nan 0.000 0.551 442 C N -1.739 117.528 119.300 -0.055 0.000 3.154 442 C HA 0.475 4.935 4.460 0.000 0.000 0.312 442 C C 2.148 177.107 174.990 -0.052 0.000 1.349 442 C CA -0.398 58.579 59.018 -0.069 0.000 1.518 442 C CB 1.448 29.128 27.740 -0.100 0.000 1.934 442 C HN 0.548 nan 8.230 nan 0.000 0.462 443 T N 0.669 115.193 114.554 -0.051 0.000 2.788 443 T HA 0.128 4.478 4.350 0.000 0.000 0.268 443 T C 0.696 175.375 174.700 -0.036 0.000 1.044 443 T CA 1.625 63.705 62.100 -0.035 0.000 1.139 443 T CB -0.163 68.689 68.868 -0.026 0.000 0.867 443 T HN 0.958 nan 8.240 nan 0.000 0.454 444 G N -0.796 107.974 108.800 -0.049 0.000 2.694 444 G HA2 0.607 4.567 3.960 0.000 0.000 0.290 444 G HA3 0.607 4.567 3.960 0.000 0.000 0.290 444 G C -0.409 174.460 174.900 -0.051 0.000 1.386 444 G CA -0.385 44.688 45.100 -0.044 0.000 0.872 444 G HN 0.328 nan 8.290 nan 0.000 0.475 445 G N -1.295 107.482 108.800 -0.038 0.000 2.535 445 G HA2 0.559 4.519 3.960 0.000 0.000 0.303 445 G HA3 0.559 4.519 3.960 0.000 0.000 0.303 445 G C -0.243 174.634 174.900 -0.038 0.000 1.237 445 G CA -0.841 44.238 45.100 -0.035 0.000 0.986 445 G HN 0.612 nan 8.290 nan 0.000 0.494 446 L N -0.213 120.990 121.223 -0.033 0.000 2.375 446 L HA 0.347 4.687 4.340 0.000 0.000 0.271 446 L C 0.348 177.210 176.870 -0.013 0.000 1.107 446 L CA -0.418 54.403 54.840 -0.032 0.000 0.806 446 L CB 1.498 43.533 42.059 -0.040 0.000 1.146 446 L HN 0.320 nan 8.230 nan 0.000 0.447 447 T N 2.847 117.406 114.554 0.008 0.000 2.749 447 T HA 0.341 4.691 4.350 0.000 0.000 0.287 447 T C -2.470 172.247 174.700 0.028 0.000 0.970 447 T CA -1.298 60.831 62.100 0.049 0.000 0.980 447 T CB 1.169 70.090 68.868 0.088 0.000 0.924 447 T HN 0.283 nan 8.240 nan 0.000 0.456 448 P HA 0.290 nan 4.420 nan 0.000 0.280 448 P C -0.811 176.219 177.300 -0.449 0.000 1.244 448 P CA -0.763 62.125 63.100 -0.353 0.000 0.784 448 P CB 0.554 31.858 31.700 -0.661 0.000 0.913 449 L N 5.496 126.423 121.223 -0.493 0.000 2.335 449 L HA 0.376 4.716 4.340 0.000 0.000 0.268 449 L C -1.057 175.542 176.870 -0.453 0.000 1.037 449 L CA -0.915 53.562 54.840 -0.605 0.000 0.895 449 L CB -0.726 40.962 42.059 -0.619 0.000 1.266 449 L HN 0.181 nan 8.230 nan 0.000 0.439 450 Y N 3.803 123.982 120.300 -0.202 0.000 2.511 450 Y HA 0.222 4.772 4.550 0.000 0.000 0.332 450 Y C 0.326 176.100 175.900 -0.211 0.000 1.177 450 Y CA -0.044 57.969 58.100 -0.144 0.000 1.422 450 Y CB 0.370 38.792 38.460 -0.064 0.000 1.271 450 Y HN 0.380 nan 8.280 nan 0.000 0.550 451 L N 2.882 124.060 121.223 -0.076 0.000 2.371 451 L HA 0.544 4.884 4.340 0.000 0.000 0.272 451 L C 0.348 177.066 176.870 -0.254 0.000 1.124 451 L CA 0.284 54.936 54.840 -0.313 0.000 0.816 451 L CB 0.572 42.277 42.059 -0.590 0.000 1.129 451 L HN 0.862 nan 8.230 nan 0.000 0.448 452 A N 2.079 124.713 122.820 -0.310 0.000 2.475 452 A HA 0.580 4.900 4.320 0.000 0.000 0.281 452 A C -1.041 176.204 177.584 -0.565 0.000 1.263 452 A CA -0.689 51.121 52.037 -0.377 0.000 0.776 452 A CB 0.447 19.357 19.000 -0.150 0.000 1.347 452 A HN 0.590 nan 8.150 nan 0.000 0.443 453 D N -0.609 119.602 120.400 -0.314 0.000 2.399 453 D HA 0.419 5.059 4.640 0.000 0.000 0.241 453 D C 1.143 177.385 176.300 -0.096 0.000 1.133 453 D CA 1.963 55.876 54.000 -0.144 0.000 0.890 453 D CB 0.438 41.237 40.800 -0.000 0.000 1.201 453 D HN 1.415 nan 8.370 nan 0.000 0.432 454 G N 2.559 111.326 108.800 -0.054 0.000 2.246 454 G HA2 -0.336 3.624 3.960 0.000 0.000 0.273 454 G HA3 -0.336 3.624 3.960 0.000 0.000 0.273 454 G C 0.141 175.081 174.900 0.066 0.000 1.055 454 G CA 0.366 45.481 45.100 0.025 0.000 0.851 454 G HN 0.864 nan 8.290 nan 0.000 0.500 455 H N -2.460 116.540 119.070 -0.116 0.000 2.692 455 H HA -0.159 4.397 4.556 0.000 0.000 0.316 455 H C 1.276 176.579 175.328 -0.041 0.000 1.176 455 H CA 1.691 57.606 56.048 -0.222 0.000 1.142 455 H CB -1.361 28.204 29.762 -0.328 0.000 1.475 455 H HN 1.407 nan 8.280 nan 0.000 0.423 456 G N -0.099 108.759 108.800 0.097 0.000 2.537 456 G HA2 0.644 4.604 3.960 0.000 0.000 0.323 456 G HA3 0.644 4.604 3.960 0.000 0.000 0.323 456 G C -0.427 174.505 174.900 0.052 0.000 1.207 456 G CA -0.829 44.310 45.100 0.065 0.000 0.976 456 G HN 0.133 nan 8.290 nan 0.000 0.487 457 L N 0.656 121.871 121.223 -0.013 0.000 2.409 457 L HA 0.617 4.957 4.340 0.000 0.000 0.272 457 L C -0.169 176.622 176.870 -0.131 0.000 0.980 457 L CA -0.613 54.168 54.840 -0.098 0.000 0.826 457 L CB 2.262 44.241 42.059 -0.134 0.000 1.268 457 L HN 0.599 nan 8.230 nan 0.000 0.407 458 S N 1.379 116.998 115.700 -0.136 0.000 2.569 458 S HA 0.552 5.022 4.470 0.000 0.000 0.280 458 S C -0.055 174.490 174.600 -0.091 0.000 1.111 458 S CA -0.439 57.713 58.200 -0.080 0.000 0.887 458 S CB 1.137 64.349 63.200 0.019 0.000 1.095 458 S HN 0.422 nan 8.310 nan 0.000 0.476 459 F N 1.726 121.728 119.950 0.087 0.000 2.797 459 F HA 0.261 4.788 4.527 -0.000 0.000 0.302 459 F C 1.233 177.161 175.800 0.212 0.000 1.130 459 F CA 0.231 58.294 58.000 0.106 0.000 1.387 459 F CB 0.367 39.392 39.000 0.042 0.000 1.107 459 F HN 0.386 nan 8.300 nan 0.000 0.577 460 T N -0.324 114.424 114.554 0.323 0.000 2.794 460 T HA 0.086 4.436 4.350 0.000 0.000 0.280 460 T C -0.386 174.379 174.700 0.109 0.000 0.987 460 T CA -0.462 61.771 62.100 0.221 0.000 0.993 460 T CB 0.727 69.667 68.868 0.120 0.000 0.939 460 T HN 0.088 nan 8.240 nan 0.000 0.449 461 H N 5.112 124.089 119.070 -0.155 0.000 2.975 461 H HA 0.129 4.685 4.556 0.000 0.000 0.303 461 H C -2.369 172.742 175.328 -0.362 0.000 1.023 461 H CA -1.239 54.430 56.048 -0.631 0.000 1.473 461 H CB 0.631 30.051 29.762 -0.571 0.000 1.498 461 H HN 0.253 nan 8.280 nan 0.000 0.549 462 P HA 0.167 nan 4.420 nan 0.000 0.286 462 P C 0.017 176.817 177.300 -0.834 0.000 1.321 462 P CA -0.342 62.404 63.100 -0.590 0.000 0.790 462 P CB 1.205 32.701 31.700 -0.341 0.000 0.897 463 A N 3.221 125.740 122.820 -0.503 0.000 2.066 463 A HA 0.286 4.606 4.320 0.000 0.000 0.218 463 A C 1.158 178.635 177.584 -0.179 0.000 1.157 463 A CA 0.851 52.714 52.037 -0.290 0.000 0.670 463 A CB -0.479 18.465 19.000 -0.093 0.000 0.804 463 A HN 0.568 nan 8.150 nan 0.000 0.453 464 A N 0.563 123.282 122.820 -0.169 0.000 2.306 464 A HA 0.497 4.817 4.320 0.000 0.000 0.314 464 A C -0.569 176.935 177.584 -0.133 0.000 1.164 464 A CA -0.668 51.300 52.037 -0.114 0.000 0.822 464 A CB 0.299 19.248 19.000 -0.085 0.000 1.130 464 A HN 0.349 nan 8.150 nan 0.000 0.496 465 D N 0.523 120.855 120.400 -0.112 0.000 2.382 465 D HA 0.461 5.101 4.640 0.000 0.000 0.240 465 D C 0.358 176.440 176.300 -0.363 0.000 1.146 465 D CA 1.232 55.133 54.000 -0.165 0.000 0.897 465 D CB 1.447 42.255 40.800 0.013 0.000 1.197 465 D HN 0.798 nan 8.370 nan 0.000 0.432 466 G N -1.127 107.176 108.800 -0.827 0.000 2.616 466 G HA2 0.586 4.546 3.960 0.000 0.000 0.294 466 G HA3 0.586 4.546 3.960 0.000 0.000 0.294 466 G C -1.953 172.117 174.900 -1.382 0.000 1.489 466 G CA -0.384 44.141 45.100 -0.959 0.000 0.836 466 G HN 0.588 nan 8.290 nan 0.000 0.527 467 A N 0.938 123.362 122.820 -0.660 0.000 2.547 467 A HA 0.772 5.092 4.320 0.000 0.000 0.297 467 A C -1.761 175.828 177.584 0.007 0.000 1.056 467 A CA -0.720 51.138 52.037 -0.298 0.000 0.688 467 A CB 1.896 20.789 19.000 -0.178 0.000 1.282 467 A HN 0.493 nan 8.150 nan 0.000 0.400 468 D N 1.154 121.644 120.400 0.150 0.000 2.248 468 D HA 0.651 5.291 4.640 0.000 0.000 0.246 468 D C -0.400 176.034 176.300 0.223 0.000 1.027 468 D CA 0.039 54.136 54.000 0.162 0.000 0.853 468 D CB 2.100 42.963 40.800 0.105 0.000 1.243 468 D HN 0.334 nan 8.370 nan 0.000 0.462 469 S N 0.644 116.466 115.700 0.203 0.000 2.578 469 S HA 0.703 5.173 4.470 0.000 0.000 0.301 469 S C -0.974 173.806 174.600 0.301 0.000 1.091 469 S CA -0.766 57.561 58.200 0.211 0.000 1.032 469 S CB 1.188 64.457 63.200 0.116 0.000 1.064 469 S HN 0.471 nan 8.310 nan 0.000 0.508 470 Y N -1.559 118.818 120.300 0.129 0.000 2.519 470 Y HA 0.703 5.253 4.550 0.000 0.000 0.336 470 Y C -1.507 174.453 175.900 0.100 0.000 1.089 470 Y CA -1.288 56.878 58.100 0.110 0.000 1.025 470 Y CB 0.185 38.716 38.460 0.119 0.000 1.318 470 Y HN 0.283 nan 8.280 nan 0.000 0.452 471 V N 3.357 123.348 119.914 0.129 0.000 2.406 471 V HA 0.379 4.500 4.120 0.000 0.000 0.272 471 V C 0.039 176.190 176.094 0.094 0.000 1.043 471 V CA -0.261 62.066 62.300 0.045 0.000 0.915 471 V CB 1.271 33.131 31.823 0.061 0.000 0.988 471 V HN 0.839 nan 8.190 nan 0.000 0.466 472 S N 3.737 119.445 115.700 0.012 0.000 2.423 472 S HA 0.279 4.749 4.470 0.000 0.000 0.317 472 S C -0.580 174.052 174.600 0.053 0.000 1.065 472 S CA -0.678 57.557 58.200 0.059 0.000 1.111 472 S CB 0.325 63.511 63.200 -0.023 0.000 0.968 472 S HN 0.838 nan 8.310 nan 0.000 0.474 473 D N 5.443 125.899 120.400 0.092 0.000 2.392 473 D HA 0.457 5.097 4.640 0.000 0.000 0.228 473 D C -1.818 174.525 176.300 0.071 0.000 1.074 473 D CA -2.300 51.759 54.000 0.098 0.000 0.838 473 D CB 1.809 42.703 40.800 0.157 0.000 1.067 473 D HN 0.217 nan 8.370 nan 0.000 0.511 474 P HA -0.006 nan 4.420 nan 0.000 0.225 474 P C 0.709 177.905 177.300 -0.174 0.000 1.148 474 P CA 0.625 63.703 63.100 -0.037 0.000 0.779 474 P CB 0.292 32.040 31.700 0.080 0.000 0.780 475 A N -1.443 121.293 122.820 -0.141 0.000 2.123 475 A HA -0.056 4.264 4.320 0.000 0.000 0.214 475 A C 0.344 177.607 177.584 -0.534 0.000 1.152 475 A CA 0.921 52.763 52.037 -0.326 0.000 0.728 475 A CB -0.934 17.901 19.000 -0.275 0.000 0.814 475 A HN 0.262 nan 8.150 nan 0.000 0.464 476 H N -0.333 118.722 119.070 -0.025 0.000 2.429 476 H HA 0.286 4.842 4.556 0.000 0.000 0.231 476 H C -2.829 172.543 175.328 0.073 0.000 1.416 476 H CA -1.640 54.442 56.048 0.057 0.000 1.443 476 H CB 0.628 30.433 29.762 0.072 0.000 1.591 476 H HN 0.262 nan 8.280 nan 0.000 0.507 477 P HA 0.025 nan 4.420 nan 0.000 0.274 477 P C 0.076 177.567 177.300 0.318 0.000 1.231 477 P CA -0.399 62.758 63.100 0.095 0.000 0.790 477 P CB 1.627 33.204 31.700 -0.205 0.000 0.951 478 V N 3.655 123.748 119.914 0.299 0.000 2.470 478 V HA 0.124 4.244 4.120 0.000 0.000 0.276 478 V C -1.965 174.408 176.094 0.465 0.000 1.040 478 V CA -1.414 61.081 62.300 0.325 0.000 1.008 478 V CB -0.002 31.970 31.823 0.249 0.000 0.990 478 V HN 0.544 nan 8.190 nan 0.000 0.477 479 P HA 0.092 nan 4.420 nan 0.000 0.271 479 P C 0.489 177.994 177.300 0.342 0.000 1.220 479 P CA -0.300 63.040 63.100 0.401 0.000 0.768 479 P CB 0.346 32.121 31.700 0.124 0.000 0.848 480 F N 4.818 124.805 119.950 0.061 0.000 2.293 480 F HA 0.086 4.613 4.527 0.000 0.000 0.300 480 F C 0.528 176.241 175.800 -0.145 0.000 1.086 480 F CA 0.348 58.251 58.000 -0.161 0.000 1.375 480 F CB -0.721 37.764 39.000 -0.857 0.000 1.045 480 F HN 0.150 nan 8.300 nan 0.000 0.516 481 I N -3.535 116.575 120.570 -0.767 0.000 3.093 481 I HA 0.455 4.625 4.170 0.000 0.000 0.308 481 I C -0.150 175.741 176.117 -0.376 0.000 1.303 481 I CA -1.440 59.487 61.300 -0.622 0.000 0.975 481 I CB 1.535 38.961 38.000 -0.956 0.000 1.286 481 I HN -0.290 nan 8.210 nan 0.000 0.459 482 S N 1.689 117.251 115.700 -0.230 0.000 2.561 482 S HA 0.113 4.583 4.470 0.000 0.000 0.294 482 S C 0.170 174.699 174.600 -0.118 0.000 1.294 482 S CA -0.157 57.959 58.200 -0.142 0.000 1.055 482 S CB 0.013 63.153 63.200 -0.100 0.000 0.819 482 S HN 0.448 nan 8.310 nan 0.000 0.503 483 R N 2.483 122.921 120.500 -0.103 0.000 2.459 483 R HA 0.404 4.744 4.340 0.000 0.000 0.281 483 R C -2.086 174.189 176.300 -0.043 0.000 1.050 483 R CA -1.391 54.661 56.100 -0.079 0.000 1.055 483 R CB 0.217 30.416 30.300 -0.167 0.000 1.045 483 R HN 0.451 nan 8.270 nan 0.000 0.495 484 P HA 0.291 nan 4.420 nan 0.000 0.287 484 P C -1.428 175.919 177.300 0.077 0.000 1.270 484 P CA -0.393 62.719 63.100 0.020 0.000 0.844 484 P CB 0.843 32.548 31.700 0.008 0.000 1.068 485 F N 0.988 120.884 119.950 -0.089 0.000 2.569 485 F HA 0.674 5.201 4.527 -0.000 0.000 0.312 485 F C -1.587 174.110 175.800 -0.171 0.000 1.109 485 F CA -0.639 57.276 58.000 -0.142 0.000 0.919 485 F CB 1.943 40.814 39.000 -0.214 0.000 1.211 485 F HN 0.565 nan 8.300 nan 0.000 0.446 486 A N 4.616 126.696 122.820 -1.233 0.000 2.435 486 A HA 0.581 4.901 4.320 0.000 0.000 0.304 486 A C -0.597 176.104 177.584 -1.472 0.000 1.064 486 A CA -0.565 50.873 52.037 -0.997 0.000 0.727 486 A CB 0.546 19.292 19.000 -0.422 0.000 1.284 486 A HN 0.773 nan 8.150 nan 0.000 0.415 487 F N 1.301 120.776 119.950 -0.792 0.000 2.408 487 F HA -0.045 4.482 4.527 0.000 0.000 0.300 487 F C 2.455 178.030 175.800 -0.375 0.000 1.090 487 F CA 1.814 59.463 58.000 -0.586 0.000 1.427 487 F CB -0.165 38.582 39.000 -0.422 0.000 1.070 487 F HN 0.638 nan 8.300 nan 0.000 0.549 488 A N -0.784 121.945 122.820 -0.152 0.000 2.119 488 A HA -0.079 4.241 4.320 0.000 0.000 0.216 488 A C 1.295 178.846 177.584 -0.054 0.000 1.152 488 A CA 0.244 52.238 52.037 -0.072 0.000 0.708 488 A CB -0.589 18.378 19.000 -0.054 0.000 0.805 488 A HN 0.349 nan 8.150 nan 0.000 0.460 489 Q N 0.790 120.521 119.800 -0.116 0.000 2.837 489 Q HA 0.217 4.557 4.340 0.000 0.000 0.235 489 Q C 0.713 176.815 176.000 0.171 0.000 1.348 489 Q CA -0.296 55.506 55.803 -0.000 0.000 0.990 489 Q CB 0.228 28.944 28.738 -0.037 0.000 1.570 489 Q HN 0.501 nan 8.270 nan 0.000 0.575 490 S N 0.556 116.353 115.700 0.163 0.000 2.383 490 S HA -0.210 4.260 4.470 0.000 0.000 0.229 490 S C 2.031 176.781 174.600 0.251 0.000 1.030 490 S CA 1.678 60.031 58.200 0.254 0.000 1.002 490 S CB -0.066 63.232 63.200 0.164 0.000 0.829 490 S HN 0.770 nan 8.310 nan 0.000 0.467 491 S N 1.583 117.377 115.700 0.156 0.000 2.442 491 S HA -0.038 4.432 4.470 0.000 0.000 0.236 491 S C 1.650 176.330 174.600 0.132 0.000 1.007 491 S CA 0.695 58.962 58.200 0.111 0.000 0.965 491 S CB -0.251 62.988 63.200 0.065 0.000 0.773 491 S HN 0.458 nan 8.310 nan 0.000 0.504 492 R N -1.008 119.620 120.500 0.213 0.000 2.237 492 R HA 0.175 4.515 4.340 0.000 0.000 0.195 492 R C 2.012 178.477 176.300 0.276 0.000 0.956 492 R CA 0.445 56.669 56.100 0.206 0.000 1.029 492 R CB -0.233 30.214 30.300 0.245 0.000 0.972 492 R HN 0.676 nan 8.270 nan 0.000 0.493 493 W N 2.801 124.249 121.300 0.247 0.000 2.407 493 W HA -0.111 4.549 4.660 -0.000 0.000 0.305 493 W C 1.081 177.767 176.519 0.280 0.000 1.196 493 W CA 1.112 58.625 57.345 0.281 0.000 1.311 493 W CB 0.033 29.711 29.460 0.364 0.000 1.135 493 W HN -0.088 nan 8.180 nan 0.000 0.514 494 K N 0.184 120.619 120.400 0.059 0.000 2.015 494 K HA -0.192 4.128 4.320 0.000 0.000 0.216 494 K C -1.067 175.453 176.600 -0.134 0.000 1.052 494 K CA 2.061 58.296 56.287 -0.087 0.000 0.937 494 K CB -1.568 30.953 32.500 0.035 0.000 0.719 494 K HN 0.147 nan 8.250 nan 0.000 0.446 495 P HA -0.031 nan 4.420 nan 0.000 0.248 495 P C 0.308 177.512 177.300 -0.160 0.000 1.708 495 P CA -0.180 62.836 63.100 -0.140 0.000 1.062 495 P CB -0.608 31.031 31.700 -0.102 0.000 1.562 496 W N 0.423 121.547 121.300 -0.294 0.000 2.363 496 W HA -0.109 4.551 4.660 -0.000 0.000 0.296 496 W C 0.579 176.957 176.519 -0.236 0.000 1.212 496 W CA 0.300 57.461 57.345 -0.307 0.000 1.260 496 W CB -1.394 27.840 29.460 -0.376 0.000 1.131 496 W HN -0.145 nan 8.180 nan 0.000 0.530 497 L N 2.032 122.649 121.223 -1.010 0.000 2.450 497 L HA -0.157 4.183 4.340 0.000 0.000 0.224 497 L C 2.221 178.779 176.870 -0.520 0.000 1.149 497 L CA 1.156 55.444 54.840 -0.920 0.000 0.816 497 L CB -0.516 41.149 42.059 -0.657 0.000 0.932 497 L HN 0.036 nan 8.230 nan 0.000 0.449 498 V N -5.026 114.577 119.914 -0.518 0.000 3.483 498 V HA 0.185 4.305 4.120 0.000 0.000 0.301 498 V C 0.879 176.899 176.094 -0.123 0.000 1.389 498 V CA -0.433 61.578 62.300 -0.483 0.000 1.101 498 V CB -0.148 31.205 31.823 -0.782 0.000 0.971 498 V HN 0.119 nan 8.190 nan 0.000 0.434 499 Q N 1.864 121.618 119.800 -0.077 0.000 2.392 499 Q HA 0.219 4.559 4.340 0.000 0.000 0.262 499 Q C -0.190 175.782 176.000 -0.047 0.000 1.003 499 Q CA 0.194 56.004 55.803 0.010 0.000 0.888 499 Q CB 0.751 29.480 28.738 -0.016 0.000 1.260 499 Q HN 0.516 nan 8.270 nan 0.000 0.435 500 D N 1.713 121.953 120.400 -0.268 0.000 2.487 500 D HA -0.082 4.558 4.640 0.000 0.000 0.243 500 D C 0.170 176.313 176.300 -0.261 0.000 1.154 500 D CA 0.321 53.928 54.000 -0.654 0.000 0.876 500 D CB 0.713 41.008 40.800 -0.841 0.000 1.161 500 D HN 0.183 nan 8.370 nan 0.000 0.478 501 Q N 3.377 123.069 119.800 -0.180 0.000 2.222 501 Q HA 0.095 4.435 4.340 0.000 0.000 0.206 501 Q C 1.396 177.362 176.000 -0.057 0.000 0.877 501 Q CA -0.024 55.756 55.803 -0.038 0.000 0.958 501 Q CB 0.231 28.997 28.738 0.046 0.000 1.075 501 Q HN 0.498 nan 8.270 nan 0.000 0.483 502 R N 0.423 120.849 120.500 -0.123 0.000 2.115 502 R HA -0.092 4.248 4.340 0.000 0.000 0.230 502 R C 1.882 178.143 176.300 -0.064 0.000 1.111 502 R CA 0.809 56.851 56.100 -0.097 0.000 0.976 502 R CB 0.224 30.448 30.300 -0.126 0.000 0.870 502 R HN 0.344 nan 8.270 nan 0.000 0.445 503 E N 0.462 120.626 120.200 -0.060 0.000 2.051 503 E HA -0.191 4.159 4.350 0.000 0.000 0.192 503 E C 1.812 178.405 176.600 -0.011 0.000 0.991 503 E CA 1.284 57.662 56.400 -0.037 0.000 0.799 503 E CB 0.015 29.693 29.700 -0.037 0.000 0.748 503 E HN 0.339 nan 8.360 nan 0.000 0.449 504 A N 1.205 124.033 122.820 0.013 0.000 1.930 504 A HA -0.211 4.109 4.320 0.000 0.000 0.217 504 A C 2.022 179.604 177.584 -0.004 0.000 1.175 504 A CA 1.550 53.607 52.037 0.033 0.000 0.627 504 A CB -0.521 18.528 19.000 0.081 0.000 0.815 504 A HN 0.389 nan 8.150 nan 0.000 0.443 505 E N 0.495 120.683 120.200 -0.021 0.000 2.118 505 E HA -0.191 4.159 4.350 0.000 0.000 0.195 505 E C 2.047 178.613 176.600 -0.057 0.000 0.992 505 E CA 1.512 57.885 56.400 -0.045 0.000 0.804 505 E CB -0.110 29.560 29.700 -0.049 0.000 0.741 505 E HN 0.732 nan 8.360 nan 0.000 0.458 506 S N -0.049 115.624 115.700 -0.045 0.000 2.515 506 S HA -0.026 4.444 4.470 0.000 0.000 0.231 506 S C 0.800 175.379 174.600 -0.036 0.000 0.987 506 S CA -0.076 58.097 58.200 -0.045 0.000 0.936 506 S CB -0.143 63.033 63.200 -0.040 0.000 0.766 506 S HN 0.099 nan 8.310 nan 0.000 0.528 507 R N 2.002 122.487 120.500 -0.025 0.000 2.410 507 R HA 0.308 4.649 4.340 0.000 0.000 0.288 507 R C -1.761 174.534 176.300 -0.009 0.000 1.051 507 R CA -1.907 54.188 56.100 -0.008 0.000 1.021 507 R CB 0.367 30.677 30.300 0.016 0.000 1.032 507 R HN 0.183 nan 8.270 nan 0.000 0.481 508 P HA -0.098 nan 4.420 nan 0.000 0.233 508 P C -0.153 177.202 177.300 0.090 0.000 1.167 508 P CA 0.960 64.080 63.100 0.033 0.000 0.770 508 P CB 0.230 31.950 31.700 0.034 0.000 0.837 509 D N -0.579 119.878 120.400 0.094 0.000 2.358 509 D HA 0.097 4.737 4.640 0.000 0.000 0.224 509 D C -0.069 176.243 176.300 0.020 0.000 1.123 509 D CA -0.637 53.480 54.000 0.194 0.000 0.833 509 D CB -0.233 40.687 40.800 0.198 0.000 0.946 509 D HN -0.041 nan 8.370 nan 0.000 0.505 510 V N 0.594 120.423 119.914 -0.142 0.000 2.623 510 V HA 0.272 4.393 4.120 0.000 0.000 0.304 510 V C -0.533 175.389 176.094 -0.286 0.000 1.054 510 V CA -1.131 60.994 62.300 -0.292 0.000 0.882 510 V CB 2.335 34.089 31.823 -0.115 0.000 1.002 510 V HN 0.006 nan 8.190 nan 0.000 0.424 511 V N 4.864 124.543 119.914 -0.391 0.000 2.481 511 V HA 0.679 4.799 4.120 0.000 0.000 0.286 511 V C 0.105 176.151 176.094 -0.079 0.000 1.042 511 V CA 0.327 62.529 62.300 -0.163 0.000 0.928 511 V CB 2.106 33.914 31.823 -0.025 0.000 0.986 511 V HN 1.029 nan 8.190 nan 0.000 0.462 512 T N 6.714 121.186 114.554 -0.136 0.000 2.824 512 T HA 0.641 4.991 4.350 0.000 0.000 0.282 512 T C -1.452 173.128 174.700 -0.200 0.000 0.993 512 T CA -0.102 61.946 62.100 -0.087 0.000 0.967 512 T CB 1.099 69.915 68.868 -0.086 0.000 0.960 512 T HN 0.524 nan 8.240 nan 0.000 0.441 513 Y N 1.587 121.916 120.300 0.048 0.000 2.462 513 Y HA 0.582 5.133 4.550 0.000 0.000 0.346 513 Y C 0.386 176.277 175.900 -0.015 0.000 0.976 513 Y CA -1.070 57.043 58.100 0.022 0.000 1.044 513 Y CB 1.852 40.292 38.460 -0.033 0.000 1.230 513 Y HN 0.711 nan 8.280 nan 0.000 0.455 514 E N -0.665 119.603 120.200 0.114 0.000 2.392 514 E HA 0.558 4.909 4.350 0.000 0.000 0.279 514 E C -1.233 175.376 176.600 0.014 0.000 0.964 514 E CA -1.227 55.198 56.400 0.042 0.000 0.777 514 E CB 1.901 31.618 29.700 0.028 0.000 1.249 514 E HN 0.511 nan 8.360 nan 0.000 0.449 515 T N -0.761 113.783 114.554 -0.017 0.000 2.810 515 T HA 0.300 4.650 4.350 0.000 0.000 0.277 515 T C 0.326 175.035 174.700 0.013 0.000 0.973 515 T CA -0.853 61.237 62.100 -0.017 0.000 0.949 515 T CB 0.903 69.749 68.868 -0.038 0.000 1.075 515 T HN 0.458 nan 8.240 nan 0.000 0.537 516 E N 0.078 120.294 120.200 0.026 0.000 2.376 516 E HA 0.267 4.617 4.350 0.000 0.000 0.254 516 E C -0.135 176.493 176.600 0.047 0.000 1.213 516 E CA -0.572 55.848 56.400 0.033 0.000 0.945 516 E CB 0.794 30.514 29.700 0.035 0.000 1.057 516 E HN 0.447 nan 8.360 nan 0.000 0.479 517 V N 2.390 122.332 119.914 0.048 0.000 2.458 517 V HA -0.067 4.053 4.120 0.000 0.000 0.287 517 V C 0.623 176.762 176.094 0.075 0.000 1.009 517 V CA 0.265 62.603 62.300 0.063 0.000 1.091 517 V CB -0.484 31.369 31.823 0.050 0.000 0.960 517 V HN 0.366 nan 8.190 nan 0.000 0.476 518 L N 5.492 126.776 121.223 0.102 0.000 2.540 518 L HA 0.079 4.419 4.340 0.000 0.000 0.276 518 L C 1.120 178.043 176.870 0.088 0.000 1.212 518 L CA 0.136 55.039 54.840 0.104 0.000 0.893 518 L CB 0.107 42.248 42.059 0.137 0.000 1.138 518 L HN 0.625 nan 8.230 nan 0.000 0.491 519 D N 0.763 121.204 120.400 0.069 0.000 2.338 519 D HA 0.056 4.696 4.640 0.000 0.000 0.208 519 D C 0.327 176.654 176.300 0.046 0.000 0.997 519 D CA 0.851 54.883 54.000 0.053 0.000 0.880 519 D CB 0.624 41.449 40.800 0.041 0.000 0.980 519 D HN 0.469 nan 8.370 nan 0.000 0.509 520 E N 0.994 121.222 120.200 0.047 0.000 2.293 520 E HA 0.311 4.661 4.350 0.000 0.000 0.270 520 E C -2.477 174.148 176.600 0.042 0.000 0.879 520 E CA -1.916 54.503 56.400 0.032 0.000 0.756 520 E CB 2.615 32.323 29.700 0.013 0.000 1.208 520 E HN -0.053 nan 8.360 nan 0.000 0.428 521 P HA 0.112 nan 4.420 nan 0.000 0.269 521 P C -0.367 176.962 177.300 0.048 0.000 1.209 521 P CA -0.274 62.847 63.100 0.036 0.000 0.776 521 P CB 0.694 32.390 31.700 -0.007 0.000 0.876 522 V N 4.470 124.456 119.914 0.120 0.000 2.378 522 V HA 0.314 4.434 4.120 0.000 0.000 0.288 522 V C 0.651 176.862 176.094 0.195 0.000 1.016 522 V CA -0.633 61.758 62.300 0.151 0.000 0.840 522 V CB 1.125 33.088 31.823 0.233 0.000 0.994 522 V HN 0.454 nan 8.190 nan 0.000 0.431 523 R N 3.567 124.121 120.500 0.090 0.000 2.265 523 R HA 0.692 5.032 4.340 0.000 0.000 0.319 523 R C -0.755 175.602 176.300 0.094 0.000 1.006 523 R CA -0.510 55.624 56.100 0.057 0.000 0.880 523 R CB 1.840 32.148 30.300 0.015 0.000 1.077 523 R HN 0.614 nan 8.270 nan 0.000 0.454 524 V N -0.939 119.036 119.914 0.101 0.000 2.604 524 V HA 0.677 4.797 4.120 0.000 0.000 0.305 524 V C -0.338 175.800 176.094 0.072 0.000 1.043 524 V CA -0.688 61.681 62.300 0.114 0.000 0.888 524 V CB 1.976 33.929 31.823 0.217 0.000 0.995 524 V HN 0.693 nan 8.190 nan 0.000 0.429 525 S N 2.545 118.275 115.700 0.050 0.000 2.609 525 S HA 0.855 5.325 4.470 0.000 0.000 0.250 525 S C -0.081 174.524 174.600 0.008 0.000 1.112 525 S CA 0.595 58.849 58.200 0.089 0.000 1.102 525 S CB 0.485 63.717 63.200 0.053 0.000 1.124 525 S HN 2.292 nan 8.310 nan 0.000 0.460 526 G N 1.989 110.834 108.800 0.075 0.000 2.334 526 G HA2 0.206 4.166 3.960 0.000 0.000 0.249 526 G HA3 0.206 4.166 3.960 0.000 0.000 0.249 526 G C -1.805 173.035 174.900 -0.101 0.000 1.327 526 G CA -0.100 44.857 45.100 -0.238 0.000 0.979 526 G HN 0.973 nan 8.290 nan 0.000 0.471 527 V N 2.676 122.475 119.914 -0.191 0.000 2.328 527 V HA 0.516 4.637 4.120 0.000 0.000 0.278 527 V C -2.099 173.943 176.094 -0.088 0.000 1.021 527 V CA -1.150 61.084 62.300 -0.111 0.000 0.838 527 V CB 1.355 33.091 31.823 -0.145 0.000 0.999 527 V HN 0.524 nan 8.190 nan 0.000 0.447 528 P HA 0.305 nan 4.420 nan 0.000 0.276 528 P C -0.792 176.442 177.300 -0.110 0.000 1.230 528 P CA -0.155 62.908 63.100 -0.061 0.000 0.776 528 P CB 1.042 32.730 31.700 -0.020 0.000 0.888 529 V N 2.540 122.349 119.914 -0.175 0.000 2.448 529 V HA 0.576 4.696 4.120 0.000 0.000 0.295 529 V C 0.310 176.149 176.094 -0.426 0.000 1.025 529 V CA -0.997 61.118 62.300 -0.308 0.000 0.859 529 V CB 1.464 33.091 31.823 -0.326 0.000 0.988 529 V HN 0.628 nan 8.190 nan 0.000 0.431 530 A N 2.855 125.283 122.820 -0.653 0.000 2.350 530 A HA 0.467 4.787 4.320 0.000 0.000 0.293 530 A C -0.067 177.117 177.584 -0.666 0.000 1.231 530 A CA -0.137 51.475 52.037 -0.710 0.000 0.883 530 A CB -0.123 18.212 19.000 -1.108 0.000 1.133 530 A HN 0.870 nan 8.150 nan 0.000 0.533 531 D N 2.874 123.055 120.400 -0.364 0.000 2.518 531 D HA 0.397 5.037 4.640 0.000 0.000 0.230 531 D C -0.750 175.481 176.300 -0.114 0.000 1.138 531 D CA -0.070 53.838 54.000 -0.152 0.000 0.964 531 D CB 0.179 41.005 40.800 0.043 0.000 1.011 531 D HN 0.381 nan 8.370 nan 0.000 0.517 532 L N 3.230 124.341 121.223 -0.186 0.000 2.309 532 L HA 0.570 4.910 4.340 0.000 0.000 0.282 532 L C -1.372 175.390 176.870 -0.179 0.000 1.036 532 L CA -0.365 54.397 54.840 -0.130 0.000 0.806 532 L CB 0.700 42.662 42.059 -0.161 0.000 1.220 532 L HN 0.147 nan 8.230 nan 0.000 0.429 533 F N 5.308 125.280 119.950 0.036 0.000 2.451 533 F HA 0.690 5.217 4.527 0.000 0.000 0.367 533 F C 0.324 176.107 175.800 -0.029 0.000 1.100 533 F CA -0.248 57.769 58.000 0.028 0.000 1.171 533 F CB 1.125 40.120 39.000 -0.009 0.000 1.405 533 F HN 0.627 nan 8.300 nan 0.000 0.482 534 A N 1.781 124.608 122.820 0.013 0.000 2.354 534 A HA 0.972 5.292 4.320 0.000 0.000 0.321 534 A C -1.004 176.593 177.584 0.021 0.000 1.125 534 A CA -0.584 51.330 52.037 -0.205 0.000 0.799 534 A CB 1.270 19.591 19.000 -1.131 0.000 1.293 534 A HN 0.677 nan 8.150 nan 0.000 0.452 535 A N 0.078 122.962 122.820 0.107 0.000 2.413 535 A HA 0.887 5.207 4.320 0.000 0.000 0.307 535 A C -0.309 177.474 177.584 0.332 0.000 1.087 535 A CA -0.261 51.908 52.037 0.220 0.000 0.750 535 A CB 1.686 20.774 19.000 0.146 0.000 1.296 535 A HN 1.408 nan 8.150 nan 0.000 0.423 536 T N -0.742 113.990 114.554 0.297 0.000 2.909 536 T HA 0.471 4.821 4.350 0.000 0.000 0.299 536 T C 0.994 175.769 174.700 0.125 0.000 1.073 536 T CA 0.294 62.529 62.100 0.224 0.000 0.999 536 T CB 1.353 70.368 68.868 0.245 0.000 1.098 536 T HN 1.366 nan 8.240 nan 0.000 0.477 537 S N 1.863 117.606 115.700 0.072 0.000 2.527 537 S HA 0.301 4.771 4.470 0.000 0.000 0.222 537 S C 1.136 175.765 174.600 0.047 0.000 0.985 537 S CA 0.212 58.443 58.200 0.052 0.000 0.921 537 S CB -0.166 63.055 63.200 0.035 0.000 0.772 537 S HN 0.895 nan 8.310 nan 0.000 0.529 538 G N 1.055 109.883 108.800 0.047 0.000 2.531 538 G HA2 0.438 4.398 3.960 0.000 0.000 0.281 538 G HA3 0.438 4.398 3.960 0.000 0.000 0.281 538 G C 0.498 175.435 174.900 0.062 0.000 1.382 538 G CA 0.101 45.226 45.100 0.042 0.000 1.045 538 G HN 0.369 nan 8.290 nan 0.000 0.533 539 T N -2.934 111.660 114.554 0.067 0.000 3.092 539 T HA 0.322 4.672 4.350 0.000 0.000 0.258 539 T C -0.171 174.601 174.700 0.120 0.000 1.031 539 T CA -0.002 62.148 62.100 0.085 0.000 0.925 539 T CB 0.327 69.250 68.868 0.091 0.000 1.036 539 T HN 0.393 nan 8.240 nan 0.000 0.544 540 D N -0.501 119.959 120.400 0.101 0.000 2.648 540 D HA 0.649 5.289 4.640 0.000 0.000 0.244 540 D C -1.561 174.737 176.300 -0.004 0.000 1.244 540 D CA -0.193 53.864 54.000 0.096 0.000 0.772 540 D CB 2.196 43.061 40.800 0.107 0.000 1.379 540 D HN 0.037 nan 8.370 nan 0.000 0.428 541 S N 0.313 115.967 115.700 -0.077 0.000 2.597 541 S HA 0.388 4.858 4.470 0.000 0.000 0.274 541 S C -2.098 172.210 174.600 -0.488 0.000 1.132 541 S CA -0.734 57.258 58.200 -0.348 0.000 0.835 541 S CB 1.437 64.289 63.200 -0.580 0.000 1.092 541 S HN 0.398 nan 8.310 nan 0.000 0.457 542 D N 0.432 120.456 120.400 -0.627 0.000 2.252 542 D HA 0.592 5.232 4.640 0.000 0.000 0.245 542 D C -1.425 174.447 176.300 -0.713 0.000 1.009 542 D CA -0.038 53.685 54.000 -0.461 0.000 0.870 542 D CB 0.976 41.644 40.800 -0.219 0.000 1.251 542 D HN 0.426 nan 8.370 nan 0.000 0.460 543 W N 1.598 122.848 121.300 -0.084 0.000 2.463 543 W HA 0.457 5.117 4.660 0.000 0.000 0.316 543 W C -0.877 175.593 176.519 -0.081 0.000 1.004 543 W CA -0.903 56.387 57.345 -0.092 0.000 1.309 543 W CB 1.245 30.585 29.460 -0.201 0.000 1.288 543 W HN -0.056 nan 8.180 nan 0.000 0.423 544 V N 4.754 124.699 119.914 0.051 0.000 2.383 544 V HA 0.413 4.533 4.120 0.000 0.000 0.275 544 V C -0.135 175.932 176.094 -0.044 0.000 1.036 544 V CA -0.835 61.345 62.300 -0.200 0.000 0.889 544 V CB 1.068 32.478 31.823 -0.689 0.000 0.985 544 V HN 0.271 nan 8.190 nan 0.000 0.459 545 V N 6.127 126.082 119.914 0.070 0.000 2.448 545 V HA 0.505 4.625 4.120 0.000 0.000 0.295 545 V C -0.153 175.998 176.094 0.094 0.000 1.025 545 V CA -0.885 61.474 62.300 0.099 0.000 0.859 545 V CB 1.839 33.740 31.823 0.130 0.000 0.988 545 V HN 0.862 nan 8.190 nan 0.000 0.431 546 K N 4.619 125.068 120.400 0.082 0.000 2.345 546 K HA 0.659 4.979 4.320 0.000 0.000 0.255 546 K C -1.297 175.373 176.600 0.115 0.000 0.934 546 K CA -0.868 55.501 56.287 0.136 0.000 0.801 546 K CB 2.668 35.265 32.500 0.162 0.000 1.137 546 K HN 0.435 nan 8.250 nan 0.000 0.424 547 L N 4.598 125.902 121.223 0.135 0.000 2.262 547 L HA 0.480 4.820 4.340 0.000 0.000 0.288 547 L C -1.275 175.705 176.870 0.183 0.000 1.035 547 L CA -0.257 54.663 54.840 0.132 0.000 0.820 547 L CB 0.495 42.634 42.059 0.133 0.000 1.204 547 L HN 0.576 nan 8.230 nan 0.000 0.424 548 I N 3.826 124.507 120.570 0.185 0.000 2.530 548 I HA 0.358 4.528 4.170 0.000 0.000 0.297 548 I C -0.844 175.474 176.117 0.335 0.000 1.011 548 I CA -0.590 60.843 61.300 0.221 0.000 1.107 548 I CB 2.013 40.108 38.000 0.159 0.000 1.285 548 I HN 0.513 nan 8.210 nan 0.000 0.436 549 D N 5.545 126.174 120.400 0.381 0.000 2.454 549 D HA 0.273 4.913 4.640 0.000 0.000 0.225 549 D C -0.884 175.651 176.300 0.393 0.000 1.081 549 D CA -0.316 54.015 54.000 0.552 0.000 0.864 549 D CB 1.168 42.239 40.800 0.450 0.000 1.040 549 D HN 0.087 nan 8.370 nan 0.000 0.517 550 V N 5.164 125.270 119.914 0.320 0.000 2.439 550 V HA 0.103 4.223 4.120 0.000 0.000 0.271 550 V C 0.792 176.969 176.094 0.138 0.000 1.040 550 V CA -0.577 61.841 62.300 0.197 0.000 1.002 550 V CB 0.764 32.659 31.823 0.121 0.000 1.000 550 V HN 0.510 nan 8.190 nan 0.000 0.477 551 Q N 5.643 125.480 119.800 0.062 0.000 2.454 551 Q HA 0.230 4.570 4.340 0.000 0.000 0.247 551 Q C -2.200 173.643 176.000 -0.261 0.000 1.028 551 Q CA -1.865 53.812 55.803 -0.212 0.000 0.910 551 Q CB -0.133 28.580 28.738 -0.042 0.000 1.276 551 Q HN 0.437 nan 8.270 nan 0.000 0.489 552 P HA -0.075 nan 4.420 nan 0.000 0.266 552 P C 0.059 177.312 177.300 -0.079 0.000 1.193 552 P CA 0.508 63.497 63.100 -0.185 0.000 0.770 552 P CB 0.411 32.025 31.700 -0.142 0.000 0.836 553 A N 3.433 126.230 122.820 -0.038 0.000 1.958 553 A HA -0.159 4.161 4.320 0.000 0.000 0.221 553 A C 0.938 178.514 177.584 -0.014 0.000 1.178 553 A CA 1.841 53.868 52.037 -0.017 0.000 0.642 553 A CB -0.601 18.395 19.000 -0.008 0.000 0.816 553 A HN 0.497 nan 8.150 nan 0.000 0.453 554 M N -0.480 119.110 119.600 -0.018 0.000 2.326 554 M HA 0.294 4.774 4.480 0.000 0.000 0.292 554 M C -1.105 175.185 176.300 -0.017 0.000 1.081 554 M CA -0.082 55.211 55.300 -0.012 0.000 0.919 554 M CB 1.936 34.533 32.600 -0.006 0.000 1.634 554 M HN 0.234 nan 8.290 nan 0.000 0.451 555 T N -0.573 113.971 114.554 -0.015 0.000 3.241 555 T HA 0.399 4.749 4.350 0.000 0.000 0.387 555 T C -1.977 172.715 174.700 -0.013 0.000 1.451 555 T CA -1.378 60.712 62.100 -0.017 0.000 1.363 555 T CB 0.583 69.435 68.868 -0.026 0.000 1.074 555 T HN 0.366 nan 8.240 nan 0.000 0.598 556 P HA -0.135 nan 4.420 nan 0.000 0.217 556 P C 0.642 177.936 177.300 -0.009 0.000 1.148 556 P CA 1.213 64.309 63.100 -0.007 0.000 0.828 556 P CB 0.245 31.943 31.700 -0.003 0.000 0.783 557 D N -0.915 119.479 120.400 -0.010 0.000 2.317 557 D HA -0.044 4.596 4.640 0.000 0.000 0.211 557 D C 0.383 176.670 176.300 -0.022 0.000 0.966 557 D CA 1.180 55.172 54.000 -0.013 0.000 0.876 557 D CB -0.227 40.567 40.800 -0.010 0.000 0.927 557 D HN 0.198 nan 8.370 nan 0.000 0.519 558 D N -1.418 118.966 120.400 -0.027 0.000 2.668 558 D HA 0.148 4.788 4.640 0.000 0.000 0.247 558 D C -2.028 174.253 176.300 -0.032 0.000 1.268 558 D CA -1.727 52.250 54.000 -0.038 0.000 0.842 558 D CB 1.256 42.021 40.800 -0.058 0.000 1.399 558 D HN -0.239 nan 8.370 nan 0.000 0.530 559 P HA -0.232 nan 4.420 nan 0.000 0.218 559 P C 1.285 178.583 177.300 -0.003 0.000 1.154 559 P CA 1.569 64.662 63.100 -0.011 0.000 0.872 559 P CB 0.095 31.790 31.700 -0.009 0.000 0.790 560 K N -1.309 119.088 120.400 -0.005 0.000 2.442 560 K HA -0.070 4.250 4.320 0.000 0.000 0.198 560 K C 1.304 177.936 176.600 0.054 0.000 1.044 560 K CA 1.218 57.517 56.287 0.019 0.000 0.948 560 K CB -0.519 31.986 32.500 0.010 0.000 0.762 560 K HN 0.083 nan 8.250 nan 0.000 0.472 561 M N 1.488 121.090 119.600 0.004 0.000 2.495 561 M HA 0.133 4.613 4.480 0.000 0.000 0.237 561 M C 0.625 176.960 176.300 0.058 0.000 1.131 561 M CA 0.014 55.312 55.300 -0.003 0.000 1.032 561 M CB -0.116 32.414 32.600 -0.117 0.000 1.513 561 M HN 0.193 nan 8.290 nan 0.000 0.488 562 G N 0.158 108.982 108.800 0.040 0.000 2.298 562 G HA2 0.347 4.307 3.960 0.000 0.000 0.263 562 G HA3 0.347 4.307 3.960 0.000 0.000 0.263 562 G C 1.099 176.026 174.900 0.044 0.000 1.229 562 G CA 0.374 45.488 45.100 0.024 0.000 0.976 562 G HN 0.687 nan 8.290 nan 0.000 0.459 563 G N 1.640 110.459 108.800 0.031 0.000 2.168 563 G HA2 -0.325 3.635 3.960 0.000 0.000 0.263 563 G HA3 -0.325 3.635 3.960 0.000 0.000 0.263 563 G C 0.474 175.413 174.900 0.066 0.000 0.977 563 G CA 0.621 45.739 45.100 0.031 0.000 0.659 563 G HN 1.073 nan 8.290 nan 0.000 0.533 564 Y N 1.614 121.899 120.300 -0.025 0.000 2.717 564 Y HA 0.325 4.875 4.550 -0.000 0.000 0.330 564 Y C 0.896 176.803 175.900 0.012 0.000 1.217 564 Y CA 0.717 58.809 58.100 -0.013 0.000 1.506 564 Y CB 0.474 38.920 38.460 -0.023 0.000 1.268 564 Y HN 0.323 nan 8.280 nan 0.000 0.561 565 E N 6.562 126.674 120.200 -0.147 0.000 2.026 565 E HA 0.150 4.500 4.350 0.000 0.000 0.253 565 E C -1.236 175.402 176.600 0.063 0.000 1.056 565 E CA -0.537 55.857 56.400 -0.010 0.000 0.927 565 E CB 0.205 29.870 29.700 -0.058 0.000 1.172 565 E HN 0.431 nan 8.360 nan 0.000 0.445 566 L N 4.722 126.127 121.223 0.303 0.000 2.313 566 L HA 0.319 4.659 4.340 0.000 0.000 0.282 566 L C -2.507 174.490 176.870 0.212 0.000 1.092 566 L CA -1.862 53.166 54.840 0.314 0.000 0.831 566 L CB 0.429 42.671 42.059 0.305 0.000 1.159 566 L HN 0.134 nan 8.230 nan 0.000 0.442 567 P HA 0.123 nan 4.420 nan 0.000 0.287 567 P C 0.413 177.876 177.300 0.273 0.000 1.281 567 P CA -0.350 62.870 63.100 0.200 0.000 0.781 567 P CB 1.341 33.149 31.700 0.181 0.000 0.903 568 V N 0.482 120.509 119.914 0.187 0.000 3.590 568 V HA 0.260 4.380 4.120 0.000 0.000 0.265 568 V C 0.581 176.694 176.094 0.031 0.000 1.239 568 V CA 0.485 62.837 62.300 0.086 0.000 1.117 568 V CB -0.384 31.319 31.823 -0.199 0.000 0.818 568 V HN 0.657 nan 8.190 nan 0.000 0.451 569 S N 1.173 116.941 115.700 0.114 0.000 2.586 569 S HA 0.706 5.176 4.470 0.000 0.000 0.296 569 S C -1.094 173.621 174.600 0.191 0.000 1.120 569 S CA -0.608 57.658 58.200 0.111 0.000 0.927 569 S CB 1.243 64.483 63.200 0.065 0.000 1.114 569 S HN 0.689 nan 8.310 nan 0.000 0.453 570 M N 2.514 122.274 119.600 0.266 0.000 2.414 570 M HA 0.774 5.254 4.480 0.000 0.000 0.287 570 M C -1.863 174.771 176.300 0.557 0.000 1.181 570 M CA -0.645 54.890 55.300 0.392 0.000 0.933 570 M CB 2.102 34.993 32.600 0.485 0.000 1.732 570 M HN 0.514 nan 8.290 nan 0.000 0.486 571 D N 0.952 121.687 120.400 0.558 0.000 2.643 571 D HA 0.704 5.344 4.640 0.000 0.000 0.283 571 D C -1.954 174.613 176.300 0.445 0.000 1.242 571 D CA -0.380 54.020 54.000 0.667 0.000 0.863 571 D CB 3.124 44.347 40.800 0.705 0.000 1.382 571 D HN 0.850 nan 8.370 nan 0.000 0.444 572 I N 1.011 121.813 120.570 0.385 0.000 2.608 572 I HA 0.599 4.769 4.170 0.000 0.000 0.295 572 I C -1.639 174.510 176.117 0.053 0.000 1.049 572 I CA -0.895 60.447 61.300 0.071 0.000 1.063 572 I CB 1.505 39.398 38.000 -0.178 0.000 1.248 572 I HN 0.267 nan 8.210 nan 0.000 0.424 573 F N 6.991 126.764 119.950 -0.296 0.000 2.507 573 F HA 0.521 5.048 4.527 0.000 0.000 0.328 573 F C -0.300 175.428 175.800 -0.119 0.000 1.136 573 F CA -0.742 57.015 58.000 -0.406 0.000 0.930 573 F CB 1.201 39.480 39.000 -1.202 0.000 1.166 573 F HN 0.415 nan 8.300 nan 0.000 0.436 574 R N 3.989 124.300 120.500 -0.315 0.000 2.248 574 R HA 0.275 4.615 4.340 0.000 0.000 0.337 574 R C 1.424 177.747 176.300 0.038 0.000 1.085 574 R CA 0.658 56.711 56.100 -0.079 0.000 0.934 574 R CB 0.545 30.883 30.300 0.063 0.000 1.034 574 R HN 0.995 nan 8.270 nan 0.000 0.465 575 G N 4.950 113.896 108.800 0.242 0.000 2.545 575 G HA2 -0.399 3.561 3.960 0.000 0.000 0.222 575 G HA3 -0.399 3.561 3.960 0.000 0.000 0.222 575 G C 1.289 176.403 174.900 0.357 0.000 1.126 575 G CA 1.170 46.586 45.100 0.527 0.000 0.754 575 G HN 0.785 nan 8.290 nan 0.000 0.583 576 R N -0.726 119.814 120.500 0.067 0.000 2.159 576 R HA -0.090 4.250 4.340 0.000 0.000 0.237 576 R C 1.196 177.418 176.300 -0.131 0.000 1.131 576 R CA 1.342 57.399 56.100 -0.071 0.000 0.982 576 R CB -0.576 29.629 30.300 -0.159 0.000 0.868 576 R HN 0.444 nan 8.270 nan 0.000 0.453 577 Y N 0.902 121.312 120.300 0.184 0.000 2.583 577 Y HA 0.296 4.846 4.550 0.000 0.000 0.294 577 Y C 2.136 178.087 175.900 0.084 0.000 1.170 577 Y CA -0.800 57.375 58.100 0.125 0.000 1.265 577 Y CB -0.219 38.371 38.460 0.217 0.000 1.119 577 Y HN 0.026 nan 8.280 nan 0.000 0.522 578 R N 1.009 121.712 120.500 0.338 0.000 2.080 578 R HA -0.214 4.126 4.340 0.000 0.000 0.236 578 R C 1.697 177.997 176.300 0.000 0.000 1.137 578 R CA 2.043 58.294 56.100 0.251 0.000 0.943 578 R CB 0.109 30.447 30.300 0.062 0.000 0.846 578 R HN 0.266 nan 8.270 nan 0.000 0.431 579 K N -0.933 119.455 120.400 -0.020 0.000 2.044 579 K HA -0.045 4.275 4.320 0.000 0.000 0.204 579 K C 0.108 176.676 176.600 -0.053 0.000 1.049 579 K CA 1.006 57.262 56.287 -0.052 0.000 0.945 579 K CB 0.153 32.630 32.500 -0.038 0.000 0.724 579 K HN 0.097 nan 8.250 nan 0.000 0.440 580 D N -1.898 118.494 120.400 -0.014 0.000 2.934 580 D HA 0.123 4.763 4.640 0.000 0.000 0.230 580 D C -0.245 176.128 176.300 0.122 0.000 1.204 580 D CA -0.550 53.463 54.000 0.022 0.000 0.873 580 D CB 1.014 41.863 40.800 0.081 0.000 1.645 580 D HN -0.207 nan 8.370 nan 0.000 0.502 581 F N 1.680 121.771 119.950 0.234 0.000 2.367 581 F HA 0.137 4.664 4.527 0.000 0.000 0.298 581 F C 2.279 178.085 175.800 0.010 0.000 1.094 581 F CA 0.927 59.009 58.000 0.137 0.000 1.409 581 F CB -0.167 38.837 39.000 0.008 0.000 1.064 581 F HN 0.496 nan 8.300 nan 0.000 0.528 582 A N -1.092 121.870 122.820 0.238 0.000 2.030 582 A HA 0.067 4.387 4.320 0.000 0.000 0.215 582 A C 1.042 178.730 177.584 0.173 0.000 1.164 582 A CA 0.459 52.570 52.037 0.124 0.000 0.697 582 A CB -0.022 19.020 19.000 0.071 0.000 0.827 582 A HN 0.011 nan 8.150 nan 0.000 0.457 583 K N 1.614 122.138 120.400 0.206 0.000 2.540 583 K HA 0.293 4.613 4.320 0.000 0.000 0.218 583 K C -3.039 173.687 176.600 0.209 0.000 1.017 583 K CA -1.877 54.518 56.287 0.180 0.000 1.029 583 K CB 1.493 34.057 32.500 0.108 0.000 1.348 583 K HN 0.209 nan 8.250 nan 0.000 0.508 584 P HA 0.054 nan 4.420 nan 0.000 0.267 584 P C -0.557 176.809 177.300 0.110 0.000 1.200 584 P CA 0.257 63.470 63.100 0.188 0.000 0.772 584 P CB 1.046 32.864 31.700 0.197 0.000 0.855 585 E N 0.136 120.294 120.200 -0.071 0.000 2.356 585 E HA 0.546 4.896 4.350 0.000 0.000 0.275 585 E C -0.852 175.338 176.600 -0.683 0.000 0.904 585 E CA -1.104 55.066 56.400 -0.383 0.000 0.757 585 E CB 2.374 31.958 29.700 -0.193 0.000 1.232 585 E HN 0.483 nan 8.360 nan 0.000 0.442 586 A N 3.027 125.178 122.820 -1.115 0.000 2.445 586 A HA 0.363 4.683 4.320 0.000 0.000 0.242 586 A C -0.293 177.123 177.584 -0.279 0.000 1.075 586 A CA -0.071 51.481 52.037 -0.807 0.000 0.777 586 A CB 0.146 18.733 19.000 -0.688 0.000 1.013 586 A HN 0.514 nan 8.150 nan 0.000 0.493 587 L N 1.433 122.600 121.223 -0.093 0.000 2.357 587 L HA 0.307 4.647 4.340 0.000 0.000 0.273 587 L C 0.604 177.480 176.870 0.010 0.000 1.080 587 L CA -0.375 54.471 54.840 0.010 0.000 0.803 587 L CB 0.939 43.078 42.059 0.133 0.000 1.174 587 L HN 0.777 nan 8.230 nan 0.000 0.443 588 Q N 2.945 122.755 119.800 0.016 0.000 2.296 588 Q HA 0.208 4.548 4.340 0.000 0.000 0.262 588 Q C -2.231 173.797 176.000 0.047 0.000 0.981 588 Q CA -1.613 54.199 55.803 0.016 0.000 0.905 588 Q CB 0.986 29.727 28.738 0.006 0.000 1.186 588 Q HN 0.276 nan 8.270 nan 0.000 0.399 589 P HA -0.080 nan 4.420 nan 0.000 0.268 589 P C -0.815 176.517 177.300 0.053 0.000 1.204 589 P CA 0.319 63.451 63.100 0.054 0.000 0.768 589 P CB 0.555 32.279 31.700 0.039 0.000 0.842 590 D N -0.945 119.497 120.400 0.069 0.000 3.059 590 D HA -0.205 4.435 4.640 0.000 0.000 0.213 590 D C 0.096 176.432 176.300 0.060 0.000 1.144 590 D CA 1.485 55.524 54.000 0.065 0.000 0.975 590 D CB -1.323 39.505 40.800 0.046 0.000 1.125 590 D HN 0.529 nan 8.370 nan 0.000 0.412 591 A N 0.542 123.400 122.820 0.063 0.000 2.290 591 A HA 0.522 4.842 4.320 0.000 0.000 0.310 591 A C 0.518 178.141 177.584 0.065 0.000 1.202 591 A CA -0.129 51.935 52.037 0.045 0.000 0.837 591 A CB 0.883 19.899 19.000 0.027 0.000 1.139 591 A HN -0.009 nan 8.150 nan 0.000 0.509 592 T N 3.765 118.343 114.554 0.040 0.000 2.752 592 T HA 0.426 4.776 4.350 0.000 0.000 0.295 592 T C -0.034 174.706 174.700 0.066 0.000 0.923 592 T CA 0.543 62.679 62.100 0.060 0.000 1.112 592 T CB -0.509 68.352 68.868 -0.011 0.000 0.884 592 T HN 0.416 nan 8.240 nan 0.000 0.525 593 L N 2.574 123.837 121.223 0.067 0.000 2.330 593 L HA 0.446 4.786 4.340 0.000 0.000 0.271 593 L C 0.498 177.256 176.870 -0.188 0.000 1.013 593 L CA -1.096 53.697 54.840 -0.077 0.000 0.816 593 L CB 1.534 43.469 42.059 -0.205 0.000 1.287 593 L HN 0.639 nan 8.230 nan 0.000 0.435 594 H N 1.524 120.338 119.070 -0.426 0.000 2.723 594 H HA 0.303 4.859 4.556 0.000 0.000 0.294 594 H C -1.521 173.387 175.328 -0.700 0.000 1.079 594 H CA -0.494 55.169 56.048 -0.641 0.000 1.411 594 H CB 0.538 30.013 29.762 -0.478 0.000 1.439 594 H HN 0.408 nan 8.280 nan 0.000 0.474 595 Y N 3.371 123.411 120.300 -0.433 0.000 2.335 595 Y HA 0.180 4.730 4.550 0.000 0.000 0.338 595 Y C -0.361 175.257 175.900 -0.470 0.000 0.977 595 Y CA -0.755 57.070 58.100 -0.459 0.000 1.114 595 Y CB 1.345 39.581 38.460 -0.374 0.000 1.182 595 Y HN 0.685 nan 8.280 nan 0.000 0.463 596 H N 4.731 123.543 119.070 -0.428 0.000 2.970 596 H HA 0.514 5.070 4.556 0.000 0.000 0.315 596 H C -1.688 173.557 175.328 -0.138 0.000 0.992 596 H CA -1.036 54.798 56.048 -0.358 0.000 1.363 596 H CB 0.412 29.915 29.762 -0.432 0.000 1.532 596 H HN 0.483 nan 8.280 nan 0.000 0.514 597 F N 1.242 120.930 119.950 -0.436 0.000 2.619 597 F HA 0.518 5.045 4.527 -0.000 0.000 0.308 597 F C -0.601 175.140 175.800 -0.099 0.000 1.097 597 F CA -1.183 56.669 58.000 -0.246 0.000 0.953 597 F CB 0.706 39.392 39.000 -0.524 0.000 1.287 597 F HN 0.343 nan 8.300 nan 0.000 0.446 598 T N 1.290 116.002 114.554 0.263 0.000 2.913 598 T HA 0.674 5.024 4.350 0.000 0.000 0.297 598 T C -0.341 174.563 174.700 0.340 0.000 1.029 598 T CA -0.536 61.678 62.100 0.190 0.000 1.104 598 T CB 1.008 70.007 68.868 0.218 0.000 0.964 598 T HN 0.728 nan 8.240 nan 0.000 0.532 599 L N 2.174 123.494 121.223 0.162 0.000 2.313 599 L HA 0.538 4.878 4.340 0.000 0.000 0.268 599 L C -2.270 174.694 176.870 0.156 0.000 1.010 599 L CA -3.147 51.824 54.840 0.218 0.000 0.814 599 L CB 1.578 43.703 42.059 0.111 0.000 1.304 599 L HN 0.429 nan 8.230 nan 0.000 0.441 600 P HA -0.003 nan 4.420 nan 0.000 0.265 600 P C -0.687 176.620 177.300 0.012 0.000 1.187 600 P CA -0.118 63.032 63.100 0.083 0.000 0.766 600 P CB 0.439 32.190 31.700 0.085 0.000 0.820 601 A N 2.994 125.803 122.820 -0.017 0.000 2.520 601 A HA 0.388 4.708 4.320 0.000 0.000 0.235 601 A C 0.311 177.857 177.584 -0.063 0.000 1.065 601 A CA 0.196 52.234 52.037 0.001 0.000 0.764 601 A CB -0.397 18.648 19.000 0.076 0.000 1.002 601 A HN 0.475 nan 8.150 nan 0.000 0.502 602 V N -0.629 119.280 119.914 -0.009 0.000 3.040 602 V HA 0.857 4.977 4.120 0.000 0.000 0.312 602 V C -0.544 175.550 176.094 0.001 0.000 1.115 602 V CA -0.810 61.450 62.300 -0.066 0.000 0.998 602 V CB 2.231 34.036 31.823 -0.029 0.000 1.042 602 V HN 0.899 nan 8.190 nan 0.000 0.433 603 N N 0.632 119.294 118.700 -0.063 0.000 2.700 603 N HA 0.362 5.102 4.740 0.000 0.000 0.242 603 N C -1.203 174.277 175.510 -0.050 0.000 1.541 603 N CA -0.178 52.857 53.050 -0.026 0.000 0.764 603 N CB 0.309 38.746 38.487 -0.082 0.000 1.319 603 N HN 1.101 nan 8.380 nan 0.000 0.518 604 H N -0.630 118.331 119.070 -0.182 0.000 2.797 604 H HA 0.788 5.344 4.556 0.000 0.000 0.362 604 H C -1.169 173.995 175.328 -0.274 0.000 1.183 604 H CA -0.713 55.166 56.048 -0.282 0.000 1.197 604 H CB 1.692 31.193 29.762 -0.435 0.000 1.835 604 H HN -0.067 nan 8.280 nan 0.000 0.567 605 V N 3.287 122.644 119.914 -0.927 0.000 2.488 605 V HA 0.194 4.314 4.120 0.000 0.000 0.293 605 V C -1.022 174.627 176.094 -0.741 0.000 1.027 605 V CA -0.631 61.326 62.300 -0.572 0.000 0.862 605 V CB 0.895 32.491 31.823 -0.378 0.000 1.008 605 V HN 0.589 nan 8.190 nan 0.000 0.428 606 F N 4.097 123.924 119.950 -0.204 0.000 2.464 606 F HA 0.590 5.117 4.527 0.000 0.000 0.353 606 F C 1.165 176.842 175.800 -0.204 0.000 1.191 606 F CA -0.023 57.905 58.000 -0.120 0.000 1.147 606 F CB 0.522 39.577 39.000 0.092 0.000 1.294 606 F HN 0.597 nan 8.300 nan 0.000 0.583 607 A N 4.086 126.688 122.820 -0.364 0.000 2.346 607 A HA 0.223 4.543 4.320 0.000 0.000 0.255 607 A C 0.615 178.219 177.584 0.033 0.000 1.113 607 A CA -0.602 51.294 52.037 -0.235 0.000 0.798 607 A CB 0.301 19.102 19.000 -0.332 0.000 1.073 607 A HN 0.650 nan 8.150 nan 0.000 0.502 608 K N -0.690 119.763 120.400 0.088 0.000 2.436 608 K HA 0.341 4.661 4.320 0.000 0.000 0.275 608 K C 1.168 177.908 176.600 0.234 0.000 0.999 608 K CA 1.148 57.517 56.287 0.136 0.000 0.980 608 K CB 0.251 32.801 32.500 0.084 0.000 0.919 608 K HN 1.345 nan 8.250 nan 0.000 0.484 609 G N 1.689 110.601 108.800 0.186 0.000 2.253 609 G HA2 -0.242 3.718 3.960 0.000 0.000 0.251 609 G HA3 -0.242 3.718 3.960 0.000 0.000 0.251 609 G C 0.250 175.237 174.900 0.146 0.000 0.998 609 G CA -0.109 45.078 45.100 0.145 0.000 0.621 609 G HN 0.753 nan 8.290 nan 0.000 0.524 610 H N -0.003 119.131 119.070 0.108 0.000 2.437 610 H HA 0.697 5.253 4.556 0.000 0.000 0.338 610 H C 0.489 175.898 175.328 0.135 0.000 1.495 610 H CA -0.096 56.041 56.048 0.150 0.000 1.453 610 H CB 0.763 30.661 29.762 0.226 0.000 1.707 610 H HN 0.187 nan 8.280 nan 0.000 0.655 611 R N 0.372 121.046 120.500 0.290 0.000 2.626 611 R HA 0.347 4.687 4.340 0.000 0.000 0.274 611 R C -1.066 175.300 176.300 0.111 0.000 1.031 611 R CA -0.662 55.527 56.100 0.149 0.000 0.898 611 R CB 2.027 32.385 30.300 0.096 0.000 1.222 611 R HN 0.440 nan 8.270 nan 0.000 0.455 612 I N 3.457 123.977 120.570 -0.083 0.000 2.353 612 I HA 0.409 4.579 4.170 0.000 0.000 0.293 612 I C 0.127 176.183 176.117 -0.101 0.000 0.992 612 I CA -0.314 60.813 61.300 -0.288 0.000 1.268 612 I CB 1.507 39.122 38.000 -0.641 0.000 1.387 612 I HN 0.427 nan 8.210 nan 0.000 0.478 613 M N 6.790 126.381 119.600 -0.015 0.000 2.457 613 M HA 0.627 5.107 4.480 0.000 0.000 0.300 613 M C -2.032 174.297 176.300 0.049 0.000 1.141 613 M CA -0.604 54.715 55.300 0.032 0.000 0.901 613 M CB 2.406 35.045 32.600 0.066 0.000 1.687 613 M HN 0.319 nan 8.290 nan 0.000 0.449 614 V N 3.814 123.771 119.914 0.072 0.000 2.540 614 V HA 0.483 4.603 4.120 0.000 0.000 0.302 614 V C -0.883 175.295 176.094 0.140 0.000 1.035 614 V CA -0.521 61.827 62.300 0.079 0.000 0.873 614 V CB 1.972 33.806 31.823 0.017 0.000 0.992 614 V HN 0.872 nan 8.190 nan 0.000 0.428 615 Q N 3.792 123.654 119.800 0.104 0.000 2.340 615 Q HA 0.686 5.026 4.340 0.000 0.000 0.268 615 Q C -1.468 174.564 176.000 0.053 0.000 1.031 615 Q CA -0.487 55.366 55.803 0.083 0.000 0.804 615 Q CB 2.718 31.491 28.738 0.058 0.000 1.286 615 Q HN 0.663 nan 8.270 nan 0.000 0.448 616 I N 3.280 123.873 120.570 0.037 0.000 2.465 616 I HA 0.340 4.510 4.170 0.000 0.000 0.291 616 I C -0.392 175.645 176.117 -0.133 0.000 1.014 616 I CA -0.447 60.870 61.300 0.028 0.000 1.093 616 I CB 1.721 39.813 38.000 0.152 0.000 1.267 616 I HN 0.588 nan 8.210 nan 0.000 0.431 617 Q N 3.043 122.805 119.800 -0.063 0.000 2.693 617 Q HA 0.564 4.904 4.340 0.000 0.000 0.306 617 Q C -1.124 174.928 176.000 0.086 0.000 0.969 617 Q CA -0.910 54.848 55.803 -0.074 0.000 0.757 617 Q CB 1.973 30.640 28.738 -0.118 0.000 1.494 617 Q HN 0.403 nan 8.270 nan 0.000 0.459 618 S N 0.024 115.795 115.700 0.119 0.000 2.650 618 S HA 0.290 4.760 4.470 0.000 0.000 0.240 618 S C -0.771 173.806 174.600 -0.037 0.000 1.007 618 S CA 0.029 58.203 58.200 -0.043 0.000 0.984 618 S CB 0.421 63.532 63.200 -0.148 0.000 0.910 618 S HN 0.573 nan 8.310 nan 0.000 0.509 619 S N 0.197 115.914 115.700 0.030 0.000 2.537 619 S HA 0.656 5.126 4.470 0.000 0.000 0.270 619 S C -1.935 172.836 174.600 0.284 0.000 1.142 619 S CA -0.706 57.581 58.200 0.144 0.000 0.870 619 S CB 1.359 64.650 63.200 0.151 0.000 1.112 619 S HN 0.290 nan 8.310 nan 0.000 0.466 620 W N 2.266 123.705 121.300 0.232 0.000 1.851 620 W HA 0.492 5.152 4.660 0.000 0.000 0.303 620 W C -1.818 174.858 176.519 0.262 0.000 0.969 620 W CA -1.780 55.729 57.345 0.274 0.000 1.537 620 W CB 0.600 30.228 29.460 0.280 0.000 1.682 620 W HN 0.654 nan 8.180 nan 0.000 0.367 621 F N 4.542 124.676 119.950 0.306 0.000 2.379 621 F HA 0.499 5.026 4.527 -0.000 0.000 0.332 621 F C -1.134 174.815 175.800 0.249 0.000 1.096 621 F CA -2.412 55.665 58.000 0.127 0.000 1.105 621 F CB 1.351 40.368 39.000 0.029 0.000 1.189 621 F HN -0.068 nan 8.300 nan 0.000 0.515 622 P HA 0.016 nan 4.420 nan 0.000 0.262 622 P C 1.414 178.153 177.300 -0.935 0.000 1.304 622 P CA 0.246 62.590 63.100 -1.260 0.000 0.859 622 P CB 0.251 31.261 31.700 -1.149 0.000 1.310 623 L N -0.162 120.483 121.223 -0.963 0.000 2.013 623 L HA -0.054 4.286 4.340 0.000 0.000 0.212 623 L C 0.304 176.569 176.870 -1.009 0.000 1.073 623 L CA 1.828 55.968 54.840 -1.166 0.000 0.753 623 L CB -1.177 39.682 42.059 -2.000 0.000 0.890 623 L HN -0.111 nan 8.230 nan 0.000 0.432 624 Y N 0.545 120.584 120.300 -0.436 0.000 2.360 624 Y HA 0.315 4.865 4.550 0.000 0.000 0.337 624 Y C 0.020 175.904 175.900 -0.027 0.000 1.039 624 Y CA -1.878 56.094 58.100 -0.212 0.000 1.109 624 Y CB 0.550 39.006 38.460 -0.007 0.000 1.201 624 Y HN 0.205 nan 8.280 nan 0.000 0.458 625 D N 2.352 122.869 120.400 0.195 0.000 2.414 625 D HA 0.042 4.682 4.640 0.000 0.000 0.242 625 D C -0.353 176.171 176.300 0.372 0.000 1.129 625 D CA -0.408 53.799 54.000 0.345 0.000 0.885 625 D CB 0.730 41.779 40.800 0.416 0.000 1.198 625 D HN 0.484 nan 8.370 nan 0.000 0.437 626 R N 1.422 122.169 120.500 0.413 0.000 2.570 626 R HA 0.055 4.395 4.340 0.000 0.000 0.277 626 R C 0.683 177.138 176.300 0.259 0.000 1.039 626 R CA -0.300 55.961 56.100 0.269 0.000 1.065 626 R CB 0.211 30.582 30.300 0.119 0.000 0.964 626 R HN 0.453 nan 8.270 nan 0.000 0.428 627 N N 3.769 122.551 118.700 0.136 0.000 2.458 627 N HA 0.057 4.797 4.740 0.000 0.000 0.270 627 N C -1.898 173.632 175.510 0.033 0.000 1.102 627 N CA -1.762 51.313 53.050 0.041 0.000 0.967 627 N CB 1.418 39.881 38.487 -0.040 0.000 1.078 627 N HN 0.263 nan 8.380 nan 0.000 0.471 628 P HA -0.077 nan 4.420 nan 0.000 0.225 628 P C -0.172 177.064 177.300 -0.106 0.000 1.148 628 P CA 0.974 63.902 63.100 -0.288 0.000 0.779 628 P CB 0.235 31.610 31.700 -0.541 0.000 0.780 629 Q N -3.358 116.399 119.800 -0.072 0.000 2.424 629 Q HA -0.211 4.129 4.340 0.000 0.000 0.234 629 Q C 0.110 176.100 176.000 -0.017 0.000 0.748 629 Q CA 0.988 56.764 55.803 -0.045 0.000 1.286 629 Q CB -1.415 27.301 28.738 -0.036 0.000 1.494 629 Q HN 0.276 nan 8.270 nan 0.000 0.683 630 K N 0.071 120.451 120.400 -0.033 0.000 2.482 630 K HA 0.397 4.717 4.320 0.000 0.000 0.251 630 K C -1.305 175.308 176.600 0.021 0.000 0.936 630 K CA -0.796 55.493 56.287 0.004 0.000 0.791 630 K CB 0.921 33.401 32.500 -0.033 0.000 1.213 630 K HN -0.010 nan 8.250 nan 0.000 0.428 631 F N 5.470 125.387 119.950 -0.055 0.000 2.533 631 F HA 0.173 4.700 4.527 0.000 0.000 0.378 631 F C -0.358 175.408 175.800 -0.057 0.000 1.070 631 F CA 0.107 58.073 58.000 -0.057 0.000 1.172 631 F CB 0.434 39.411 39.000 -0.040 0.000 1.085 631 F HN 0.202 nan 8.300 nan 0.000 0.552 632 V N 4.999 124.512 119.914 -0.669 0.000 2.769 632 V HA 0.503 4.623 4.120 0.000 0.000 0.312 632 V C -2.190 173.460 176.094 -0.740 0.000 1.061 632 V CA -1.971 60.022 62.300 -0.513 0.000 0.931 632 V CB 1.527 33.173 31.823 -0.296 0.000 1.010 632 V HN 0.509 nan 8.190 nan 0.000 0.433 633 P HA -0.065 nan 4.420 nan 0.000 0.216 633 P C 0.178 177.331 177.300 -0.245 0.000 1.150 633 P CA 1.429 64.338 63.100 -0.318 0.000 0.837 633 P CB 0.138 31.754 31.700 -0.141 0.000 0.786 634 N N -1.177 117.406 118.700 -0.194 0.000 2.500 634 N HA 0.184 4.924 4.740 0.000 0.000 0.291 634 N C 0.544 175.997 175.510 -0.095 0.000 1.092 634 N CA -0.406 52.576 53.050 -0.113 0.000 0.890 634 N CB 0.952 39.395 38.487 -0.073 0.000 1.466 634 N HN -0.205 nan 8.380 nan 0.000 0.507 635 I N 2.026 122.514 120.570 -0.136 0.000 2.614 635 I HA -0.182 3.988 4.170 0.000 0.000 0.258 635 I C 1.205 177.330 176.117 0.014 0.000 1.189 635 I CA 0.810 62.039 61.300 -0.118 0.000 1.462 635 I CB -0.136 37.778 38.000 -0.144 0.000 1.092 635 I HN 0.415 nan 8.210 nan 0.000 0.442 636 F N 1.249 121.272 119.950 0.123 0.000 2.171 636 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 636 F C 1.531 177.481 175.800 0.250 0.000 1.090 636 F CA 1.191 59.329 58.000 0.229 0.000 1.293 636 F CB -0.410 38.721 39.000 0.219 0.000 1.013 636 F HN 0.109 nan 8.300 nan 0.000 0.486 637 D N 0.354 120.958 120.400 0.339 0.000 2.706 637 D HA 0.247 4.887 4.640 0.000 0.000 0.236 637 D C 0.411 176.798 176.300 0.145 0.000 1.231 637 D CA 0.088 54.239 54.000 0.253 0.000 0.828 637 D CB -0.372 40.556 40.800 0.214 0.000 1.015 637 D HN 0.023 nan 8.370 nan 0.000 0.484 638 A N 0.976 123.876 122.820 0.134 0.000 2.477 638 A HA 0.171 4.491 4.320 0.000 0.000 0.246 638 A C 0.772 178.433 177.584 0.128 0.000 1.078 638 A CA -0.078 51.969 52.037 0.017 0.000 0.770 638 A CB 0.815 19.712 19.000 -0.172 0.000 1.011 638 A HN -0.048 nan 8.150 nan 0.000 0.494 639 K N 2.666 123.105 120.400 0.066 0.000 2.087 639 K HA 0.270 4.590 4.320 0.000 0.000 0.255 639 K C -1.900 174.835 176.600 0.225 0.000 0.988 639 K CA -1.719 54.645 56.287 0.129 0.000 0.915 639 K CB 0.817 33.357 32.500 0.067 0.000 1.043 639 K HN 0.301 nan 8.250 nan 0.000 0.457 640 P HA -0.214 nan 4.420 nan 0.000 0.217 640 P C 0.807 178.248 177.300 0.236 0.000 1.151 640 P CA 1.425 64.673 63.100 0.247 0.000 0.849 640 P CB 0.151 31.922 31.700 0.118 0.000 0.787 641 A N -0.890 122.012 122.820 0.136 0.000 2.167 641 A HA -0.115 4.205 4.320 0.000 0.000 0.214 641 A C 1.719 179.342 177.584 0.064 0.000 1.151 641 A CA 1.236 53.328 52.037 0.092 0.000 0.735 641 A CB -0.904 18.130 19.000 0.056 0.000 0.802 641 A HN 0.077 nan 8.150 nan 0.000 0.467 642 D N -1.019 119.396 120.400 0.025 0.000 2.194 642 D HA -0.024 4.616 4.640 0.000 0.000 0.204 642 D C -0.265 175.944 176.300 -0.153 0.000 0.964 642 D CA 0.628 54.563 54.000 -0.108 0.000 0.846 642 D CB -0.270 40.390 40.800 -0.233 0.000 0.962 642 D HN 0.547 nan 8.370 nan 0.000 0.490 643 Y N 1.618 121.921 120.300 0.004 0.000 2.697 643 Y HA 0.102 4.652 4.550 0.000 0.000 0.349 643 Y C 0.773 176.670 175.900 -0.005 0.000 1.120 643 Y CA 0.040 58.136 58.100 -0.007 0.000 1.468 643 Y CB -0.069 38.380 38.460 -0.017 0.000 1.182 643 Y HN -0.282 nan 8.280 nan 0.000 0.525 644 T N 1.641 116.247 114.554 0.086 0.000 2.855 644 T HA 0.515 4.865 4.350 0.000 0.000 0.281 644 T C -0.255 174.476 174.700 0.052 0.000 1.007 644 T CA -1.010 61.126 62.100 0.059 0.000 1.009 644 T CB 1.523 70.408 68.868 0.029 0.000 0.983 644 T HN 0.208 nan 8.240 nan 0.000 0.455 645 V N 2.021 121.965 119.914 0.050 0.000 2.572 645 V HA 0.576 4.696 4.120 0.000 0.000 0.291 645 V C 0.508 176.615 176.094 0.023 0.000 1.039 645 V CA -0.272 62.053 62.300 0.042 0.000 1.055 645 V CB 0.259 32.112 31.823 0.050 0.000 0.969 645 V HN 1.202 nan 8.190 nan 0.000 0.482 646 A N 3.660 126.482 122.820 0.004 0.000 2.475 646 A HA 0.765 5.085 4.320 0.000 0.000 0.301 646 A C -0.242 177.317 177.584 -0.041 0.000 1.059 646 A CA -0.593 51.435 52.037 -0.014 0.000 0.710 646 A CB 1.748 20.731 19.000 -0.028 0.000 1.288 646 A HN 0.660 nan 8.150 nan 0.000 0.408 647 T N 3.118 117.655 114.554 -0.029 0.000 2.744 647 T HA 0.456 4.806 4.350 0.000 0.000 0.291 647 T C -0.472 174.183 174.700 -0.074 0.000 0.957 647 T CA -0.259 61.811 62.100 -0.049 0.000 1.002 647 T CB 0.615 69.482 68.868 -0.001 0.000 0.919 647 T HN 0.569 nan 8.240 nan 0.000 0.468 648 Q N 2.049 121.714 119.800 -0.226 0.000 2.282 648 Q HA 0.573 4.913 4.340 0.000 0.000 0.260 648 Q C -0.769 175.190 176.000 -0.069 0.000 0.964 648 Q CA -0.642 55.044 55.803 -0.195 0.000 0.880 648 Q CB 2.031 30.385 28.738 -0.639 0.000 1.286 648 Q HN 0.549 nan 8.270 nan 0.000 0.445 649 S N 2.403 118.176 115.700 0.122 0.000 2.561 649 S HA 0.546 5.016 4.470 0.000 0.000 0.303 649 S C -0.223 174.486 174.600 0.182 0.000 1.110 649 S CA -0.705 57.589 58.200 0.155 0.000 1.034 649 S CB 0.983 64.259 63.200 0.127 0.000 1.010 649 S HN 0.392 nan 8.310 nan 0.000 0.482 650 I N 3.232 123.941 120.570 0.232 0.000 2.337 650 I HA 0.244 4.414 4.170 0.000 0.000 0.285 650 I C 0.270 176.497 176.117 0.183 0.000 1.041 650 I CA -0.401 61.020 61.300 0.202 0.000 1.199 650 I CB 0.137 38.302 38.000 0.275 0.000 1.370 650 I HN 0.744 nan 8.210 nan 0.000 0.470 651 H N 6.211 125.319 119.070 0.062 0.000 2.732 651 H HA 0.329 4.885 4.556 0.000 0.000 0.351 651 H C -0.387 174.940 175.328 -0.003 0.000 1.090 651 H CA 0.437 56.467 56.048 -0.029 0.000 1.431 651 H CB 0.502 30.233 29.762 -0.051 0.000 1.447 651 H HN 0.681 nan 8.280 nan 0.000 0.582 652 H N 1.861 120.781 119.070 -0.249 0.000 2.806 652 H HA 0.590 5.146 4.556 0.000 0.000 0.367 652 H C 0.172 175.391 175.328 -0.181 0.000 1.136 652 H CA -0.682 55.283 56.048 -0.139 0.000 1.178 652 H CB 1.163 30.834 29.762 -0.152 0.000 1.718 652 H HN 1.002 nan 8.280 nan 0.000 0.540 653 G N 0.335 109.135 108.800 0.000 0.000 2.796 653 G HA2 0.315 4.275 3.960 0.000 0.000 0.571 653 G HA3 0.315 4.275 3.960 0.000 0.000 0.571 653 G C 0.541 175.380 174.900 -0.102 0.000 1.370 653 G CA 0.431 45.441 45.100 -0.149 0.000 0.856 653 G HN 2.199 nan 8.290 nan 0.000 0.538 654 G N -0.408 108.306 108.800 -0.143 0.000 2.566 654 G HA2 -0.223 3.737 3.960 0.000 0.000 0.280 654 G HA3 -0.223 3.737 3.960 0.000 0.000 0.280 654 G C 1.022 175.898 174.900 -0.041 0.000 1.225 654 G CA 1.229 46.298 45.100 -0.051 0.000 0.966 654 G HN 1.556 nan 8.290 nan 0.000 0.560 655 K N 0.989 121.306 120.400 -0.138 0.000 2.366 655 K HA 0.118 4.438 4.320 0.000 0.000 0.198 655 K C 1.104 177.389 176.600 -0.525 0.000 1.044 655 K CA 1.382 57.526 56.287 -0.238 0.000 0.973 655 K CB 0.077 32.450 32.500 -0.212 0.000 0.767 655 K HN 0.516 nan 8.250 nan 0.000 0.475 656 E N 0.458 120.272 120.200 -0.643 0.000 3.351 656 E HA 0.205 4.555 4.350 0.000 0.000 0.220 656 E C -1.309 174.887 176.600 -0.674 0.000 1.150 656 E CA -0.398 55.195 56.400 -1.345 0.000 1.359 656 E CB 1.357 30.421 29.700 -1.059 0.000 1.365 656 E HN 0.131 nan 8.360 nan 0.000 0.434 657 A N 1.539 124.146 122.820 -0.354 0.000 2.544 657 A HA 0.159 4.479 4.320 0.000 0.000 0.301 657 A C 0.462 178.235 177.584 0.315 0.000 1.368 657 A CA -0.201 51.884 52.037 0.079 0.000 1.045 657 A CB -0.170 18.944 19.000 0.190 0.000 1.129 657 A HN 0.166 nan 8.150 nan 0.000 0.540 658 T N 2.572 117.313 114.554 0.311 0.000 2.916 658 T HA 0.418 4.768 4.350 0.000 0.000 0.303 658 T C 0.660 175.432 174.700 0.120 0.000 1.025 658 T CA 0.998 63.263 62.100 0.274 0.000 1.142 658 T CB 0.201 69.153 68.868 0.141 0.000 0.947 658 T HN 1.208 nan 8.240 nan 0.000 0.544 659 S N 2.506 118.220 115.700 0.022 0.000 2.643 659 S HA 0.656 5.126 4.470 0.000 0.000 0.270 659 S C -1.735 172.753 174.600 -0.186 0.000 1.166 659 S CA -1.043 57.075 58.200 -0.136 0.000 0.815 659 S CB 1.201 64.226 63.200 -0.291 0.000 1.139 659 S HN 0.353 nan 8.310 nan 0.000 0.472 660 I N 2.246 122.676 120.570 -0.233 0.000 2.354 660 I HA 0.348 4.518 4.170 0.000 0.000 0.286 660 I C -0.518 175.480 176.117 -0.198 0.000 1.007 660 I CA -0.921 60.254 61.300 -0.209 0.000 1.167 660 I CB 1.005 38.900 38.000 -0.175 0.000 1.320 660 I HN 0.672 nan 8.210 nan 0.000 0.458 661 L N 6.962 128.077 121.223 -0.181 0.000 2.536 661 L HA 0.216 4.556 4.340 0.000 0.000 0.282 661 L C 0.224 177.041 176.870 -0.088 0.000 1.147 661 L CA 0.027 54.788 54.840 -0.132 0.000 0.936 661 L CB -0.214 41.779 42.059 -0.109 0.000 1.279 661 L HN 0.332 nan 8.230 nan 0.000 0.461 662 L N 6.237 127.435 121.223 -0.043 0.000 2.350 662 L HA 0.316 4.656 4.340 0.000 0.000 0.275 662 L C -1.709 175.174 176.870 0.021 0.000 1.099 662 L CA -1.684 53.168 54.840 0.020 0.000 0.808 662 L CB 1.239 43.360 42.059 0.102 0.000 1.149 662 L HN 0.344 nan 8.230 nan 0.000 0.442 663 P HA 0.097 nan 4.420 nan 0.000 0.219 663 P C -0.374 176.927 177.300 0.003 0.000 1.832 663 P CA -0.188 62.894 63.100 -0.030 0.000 1.014 663 P CB 0.085 31.741 31.700 -0.074 0.000 1.939 664 V N 2.912 122.840 119.914 0.024 0.000 2.529 664 V HA 0.094 4.214 4.120 0.000 0.000 0.292 664 V C 1.059 177.143 176.094 -0.016 0.000 1.028 664 V CA 0.079 62.391 62.300 0.021 0.000 1.074 664 V CB 0.965 32.786 31.823 -0.005 0.000 0.958 664 V HN 0.272 nan 8.190 nan 0.000 0.481 665 V N 2.489 122.399 119.914 -0.007 0.000 2.864 665 V HA 0.751 4.871 4.120 0.000 0.000 0.314 665 V C -0.266 175.823 176.094 -0.007 0.000 1.073 665 V CA -1.354 60.939 62.300 -0.012 0.000 0.956 665 V CB 1.821 33.643 31.823 -0.002 0.000 1.023 665 V HN 0.633 nan 8.190 nan 0.000 0.435 666 K N 0.000 120.396 120.400 -0.007 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 -0.008 0.000 0.838 666 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543