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 2yqu_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYDLLVIGAG PGGYVAAIRA AQLGMKVGVV EKEKALGGTc LRVGcIPSKA DATA SEQUENCE LLETTERIYE AKKGLLGAKV KGVELDLPAL MAHKDKVVQA NTQGVEFLFK DATA SEQUENCE KNGIARHQGT ARFLSERKVL VEETGEELEA RYILIATGSA PLIPPWAQVD DATA SEQUENCE YERVVTSTEA LSFPEVPKRL IVVGGGVIGL ELGVVWHRLG AEVIVLEYMD DATA SEQUENCE RILPTMDLEV SRAAERVFKK QGLTIRTGVR VTAVVPEAKG ARVELEGGEV DATA SEQUENCE LEADRVLVAV GRRPYTEGLS LENAGLSTDE RGRIPVDEHL RTRVPHIYAI DATA SEQUENCE GDVVRGPMLA HKASEEGIAA VEHMVRGFGH VDYQAIPSVV YTHPEIAAVG DATA SEQUENCE YTEEELKAQG IPYKVGKFPY SASGRARAMG ETEGFIKVLA HAKTDRILGV DATA SEQUENCE HGIGARVGDV LAEAALALFF KASAEDLGRA PHAHPSLSEI LKEAALAAWE DATA SEQUENCE RPIHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.205 176.300 -0.158 0.000 1.140 1 M CA 0.000 55.195 55.300 -0.175 0.000 0.988 1 M CB 0.000 32.552 32.600 -0.081 0.000 1.302 2 Y N 1.322 121.626 120.300 0.006 0.000 2.397 2 Y HA 0.147 4.696 4.550 -0.000 0.000 0.335 2 Y C 0.880 176.794 175.900 0.022 0.000 1.213 2 Y CA -0.120 57.991 58.100 0.017 0.000 1.391 2 Y CB 0.448 38.923 38.460 0.026 0.000 1.293 2 Y HN 0.653 nan 8.280 nan 0.000 0.557 3 D N 1.125 121.657 120.400 0.220 0.000 2.123 3 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 3 D C -0.213 176.232 176.300 0.242 0.000 0.976 3 D CA 1.360 55.469 54.000 0.182 0.000 0.831 3 D CB 0.203 41.097 40.800 0.157 0.000 0.974 3 D HN 0.190 nan 8.370 nan 0.000 0.469 4 L N 0.583 121.917 121.223 0.185 0.000 2.409 4 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 4 L C -1.712 175.157 176.870 -0.001 0.000 0.980 4 L CA -0.917 54.001 54.840 0.129 0.000 0.826 4 L CB 2.001 44.087 42.059 0.046 0.000 1.268 4 L HN -0.222 nan 8.230 nan 0.000 0.407 5 L N 6.115 127.353 121.223 0.025 0.000 2.305 5 L HA 0.720 5.060 4.340 -0.000 0.000 0.284 5 L C -1.162 175.686 176.870 -0.036 0.000 1.013 5 L CA -0.258 54.528 54.840 -0.090 0.000 0.819 5 L CB 1.740 43.789 42.059 -0.016 0.000 1.227 5 L HN 0.440 nan 8.230 nan 0.000 0.417 6 V N 6.629 126.497 119.914 -0.076 0.000 2.435 6 V HA 0.444 4.563 4.120 -0.000 0.000 0.290 6 V C 0.134 176.225 176.094 -0.005 0.000 1.030 6 V CA -0.435 61.857 62.300 -0.014 0.000 0.881 6 V CB 1.565 33.383 31.823 -0.008 0.000 0.983 6 V HN 0.580 nan 8.190 nan 0.000 0.445 7 I N 4.501 125.082 120.570 0.019 0.000 2.328 7 I HA 0.723 4.893 4.170 -0.000 0.000 0.287 7 I C 0.633 176.785 176.117 0.058 0.000 1.012 7 I CA -0.014 61.294 61.300 0.013 0.000 1.195 7 I CB 1.185 39.167 38.000 -0.029 0.000 1.350 7 I HN 0.890 nan 8.210 nan 0.000 0.464 8 G N 4.402 113.245 108.800 0.072 0.000 3.069 8 G HA2 0.153 4.113 3.960 -0.000 0.000 0.686 8 G HA3 0.153 4.113 3.960 -0.000 0.000 0.686 8 G C -0.423 174.553 174.900 0.126 0.000 1.161 8 G CA -0.331 44.823 45.100 0.090 0.000 0.804 8 G HN 0.880 nan 8.290 nan 0.000 0.608 9 A N 1.380 124.280 122.820 0.133 0.000 2.701 9 A HA 0.789 5.109 4.320 -0.000 0.000 0.297 9 A C 1.341 179.047 177.584 0.204 0.000 1.197 9 A CA 1.130 53.284 52.037 0.196 0.000 0.963 9 A CB -0.148 18.936 19.000 0.140 0.000 1.175 9 A HN 2.168 nan 8.150 nan 0.000 0.531 10 G N 0.018 108.917 108.800 0.166 0.000 2.553 10 G HA2 0.405 4.365 3.960 -0.000 0.000 0.278 10 G HA3 0.405 4.365 3.960 -0.000 0.000 0.278 10 G C -1.211 173.798 174.900 0.181 0.000 1.349 10 G CA -0.988 44.215 45.100 0.171 0.000 1.037 10 G HN 0.089 nan 8.290 nan 0.000 0.508 11 P HA -0.132 nan 4.420 nan 0.000 0.217 11 P C 1.965 179.126 177.300 -0.231 0.000 1.151 11 P CA 1.915 64.923 63.100 -0.154 0.000 0.849 11 P CB -0.024 31.653 31.700 -0.039 0.000 0.787 12 G N -0.460 108.291 108.800 -0.081 0.000 2.434 12 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.214 12 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.214 12 G C 1.823 176.695 174.900 -0.046 0.000 1.202 12 G CA 0.963 46.029 45.100 -0.057 0.000 0.788 12 G HN 0.356 nan 8.290 nan 0.000 0.539 13 G N 0.247 109.062 108.800 0.025 0.000 2.404 13 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 13 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 13 G C 1.745 176.736 174.900 0.151 0.000 1.174 13 G CA 1.426 46.577 45.100 0.084 0.000 0.780 13 G HN 0.614 nan 8.290 nan 0.000 0.537 14 Y N 0.853 121.249 120.300 0.159 0.000 2.263 14 Y HA 0.109 4.659 4.550 -0.000 0.000 0.292 14 Y C 2.377 178.413 175.900 0.226 0.000 1.130 14 Y CA 0.951 59.225 58.100 0.290 0.000 1.179 14 Y CB -0.707 37.833 38.460 0.132 0.000 0.998 14 Y HN 0.004 nan 8.280 nan 0.000 0.532 15 V N 1.475 121.129 119.914 -0.432 0.000 2.358 15 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 15 V C 2.902 178.951 176.094 -0.076 0.000 1.047 15 V CA 1.734 63.864 62.300 -0.283 0.000 1.035 15 V CB -1.496 30.089 31.823 -0.398 0.000 0.658 15 V HN 0.625 nan 8.190 nan 0.000 0.452 16 A N 0.212 122.990 122.820 -0.069 0.000 1.908 16 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 16 A C 2.436 180.000 177.584 -0.034 0.000 1.181 16 A CA 2.249 54.257 52.037 -0.048 0.000 0.627 16 A CB -0.812 18.161 19.000 -0.045 0.000 0.818 16 A HN 0.573 nan 8.150 nan 0.000 0.445 17 A N -0.176 122.643 122.820 -0.001 0.000 1.902 17 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 17 A C 2.134 179.685 177.584 -0.054 0.000 1.181 17 A CA 1.572 53.569 52.037 -0.067 0.000 0.623 17 A CB -0.596 18.310 19.000 -0.156 0.000 0.818 17 A HN 0.510 nan 8.150 nan 0.000 0.443 18 I N -1.264 119.339 120.570 0.056 0.000 2.202 18 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 18 I C 2.666 178.796 176.117 0.023 0.000 1.091 18 I CA 1.664 63.008 61.300 0.073 0.000 1.368 18 I CB -0.254 37.850 38.000 0.173 0.000 1.058 18 I HN 0.256 nan 8.210 nan 0.000 0.410 19 R N 1.555 122.060 120.500 0.008 0.000 2.091 19 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 19 R C 2.201 178.484 176.300 -0.028 0.000 1.136 19 R CA 1.884 57.978 56.100 -0.010 0.000 0.959 19 R CB -0.747 29.540 30.300 -0.022 0.000 0.856 19 R HN 0.379 nan 8.270 nan 0.000 0.437 20 A N 0.122 122.913 122.820 -0.048 0.000 1.883 20 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 20 A C 2.387 179.943 177.584 -0.045 0.000 1.186 20 A CA 1.928 53.927 52.037 -0.063 0.000 0.624 20 A CB -1.153 17.799 19.000 -0.081 0.000 0.822 20 A HN 0.487 nan 8.150 nan 0.000 0.444 21 A N -0.808 121.985 122.820 -0.045 0.000 1.902 21 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 21 A C 2.098 179.673 177.584 -0.015 0.000 1.181 21 A CA 1.673 53.689 52.037 -0.034 0.000 0.623 21 A CB -0.605 18.367 19.000 -0.046 0.000 0.818 21 A HN 0.664 nan 8.150 nan 0.000 0.443 22 Q N -0.706 119.089 119.800 -0.007 0.000 2.170 22 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 22 Q C 1.591 177.589 176.000 -0.003 0.000 0.976 22 Q CA 1.140 56.944 55.803 0.002 0.000 0.858 22 Q CB -0.243 28.501 28.738 0.011 0.000 0.907 22 Q HN 0.670 nan 8.270 nan 0.000 0.433 23 L N -1.119 120.096 121.223 -0.013 0.000 2.591 23 L HA 0.135 4.475 4.340 -0.000 0.000 0.228 23 L C 1.015 177.875 176.870 -0.017 0.000 1.133 23 L CA 0.397 55.226 54.840 -0.019 0.000 0.880 23 L CB 0.217 42.253 42.059 -0.038 0.000 1.033 23 L HN 0.402 nan 8.230 nan 0.000 0.450 24 G N -0.254 108.539 108.800 -0.011 0.000 2.144 24 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 24 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 24 G C 0.217 175.119 174.900 0.002 0.000 0.988 24 G CA -0.334 44.763 45.100 -0.004 0.000 0.659 24 G HN 0.187 nan 8.290 nan 0.000 0.522 25 M N 0.258 119.857 119.600 -0.002 0.000 2.250 25 M HA 0.317 4.797 4.480 -0.000 0.000 0.344 25 M C 0.718 177.033 176.300 0.025 0.000 1.150 25 M CA -0.089 55.221 55.300 0.018 0.000 1.147 25 M CB 1.029 33.634 32.600 0.008 0.000 1.498 25 M HN 0.125 nan 8.290 nan 0.000 0.461 26 K N 2.601 123.039 120.400 0.063 0.000 2.285 26 K HA 0.440 4.760 4.320 -0.000 0.000 0.286 26 K C -1.646 175.033 176.600 0.133 0.000 1.072 26 K CA -0.300 56.048 56.287 0.101 0.000 0.913 26 K CB 0.565 33.144 32.500 0.131 0.000 1.067 26 K HN 0.528 nan 8.250 nan 0.000 0.479 27 V N 3.076 123.009 119.914 0.031 0.000 2.540 27 V HA 0.562 4.682 4.120 -0.000 0.000 0.302 27 V C 0.359 176.217 176.094 -0.393 0.000 1.035 27 V CA -0.908 61.300 62.300 -0.153 0.000 0.873 27 V CB 1.741 33.453 31.823 -0.185 0.000 0.992 27 V HN 0.925 nan 8.190 nan 0.000 0.428 28 G N 2.433 110.703 108.800 -0.883 0.000 2.448 28 G HA2 0.692 4.652 3.960 -0.000 0.000 0.324 28 G HA3 0.692 4.652 3.960 -0.000 0.000 0.324 28 G C -1.448 173.187 174.900 -0.443 0.000 1.203 28 G CA -0.617 43.916 45.100 -0.945 0.000 0.954 28 G HN 0.572 nan 8.290 nan 0.000 0.480 29 V N 1.209 121.019 119.914 -0.174 0.000 2.531 29 V HA 0.468 4.588 4.120 -0.000 0.000 0.301 29 V C -0.334 175.821 176.094 0.102 0.000 1.034 29 V CA -0.715 61.570 62.300 -0.025 0.000 0.865 29 V CB 1.775 33.639 31.823 0.068 0.000 0.995 29 V HN 0.595 nan 8.190 nan 0.000 0.424 30 V N 3.533 123.481 119.914 0.058 0.000 2.398 30 V HA 0.707 4.827 4.120 -0.000 0.000 0.286 30 V C -0.381 175.759 176.094 0.076 0.000 1.026 30 V CA -0.459 61.885 62.300 0.074 0.000 0.868 30 V CB 1.605 33.419 31.823 -0.016 0.000 0.982 30 V HN 0.974 nan 8.190 nan 0.000 0.443 31 E N 3.704 123.956 120.200 0.087 0.000 2.278 31 E HA 0.390 4.740 4.350 -0.000 0.000 0.272 31 E C 0.498 177.125 176.600 0.046 0.000 0.890 31 E CA -0.717 55.722 56.400 0.066 0.000 0.770 31 E CB 1.903 31.646 29.700 0.071 0.000 1.212 31 E HN 0.618 nan 8.360 nan 0.000 0.415 32 K N 2.783 123.203 120.400 0.033 0.000 2.116 32 K HA 0.117 4.437 4.320 -0.000 0.000 0.203 32 K C 0.144 176.747 176.600 0.005 0.000 1.052 32 K CA 0.406 56.707 56.287 0.024 0.000 0.952 32 K CB 0.040 32.558 32.500 0.030 0.000 0.729 32 K HN 0.325 nan 8.250 nan 0.000 0.446 33 E N 1.911 122.105 120.200 -0.010 0.000 2.390 33 E HA -0.000 4.350 4.350 -0.000 0.000 0.261 33 E C 0.422 177.009 176.600 -0.022 0.000 1.076 33 E CA -0.004 56.381 56.400 -0.026 0.000 0.905 33 E CB 1.446 31.120 29.700 -0.043 0.000 0.984 33 E HN 0.180 nan 8.360 nan 0.000 0.427 34 K N 1.157 121.540 120.400 -0.028 0.000 2.057 34 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 34 K C 0.470 177.044 176.600 -0.043 0.000 1.049 34 K CA 1.156 57.426 56.287 -0.028 0.000 0.931 34 K CB 0.135 32.617 32.500 -0.029 0.000 0.714 34 K HN 0.485 nan 8.250 nan 0.000 0.440 35 A N 1.182 123.968 122.820 -0.057 0.000 2.310 35 A HA 0.446 4.766 4.320 -0.000 0.000 0.299 35 A C -0.328 177.196 177.584 -0.101 0.000 1.147 35 A CA -0.675 51.312 52.037 -0.083 0.000 0.818 35 A CB 0.473 19.422 19.000 -0.085 0.000 1.096 35 A HN 0.278 nan 8.150 nan 0.000 0.495 36 L N 0.967 122.094 121.223 -0.160 0.000 2.456 36 L HA 0.598 4.938 4.340 -0.000 0.000 0.257 36 L C 1.471 178.209 176.870 -0.220 0.000 1.162 36 L CA 0.699 55.408 54.840 -0.218 0.000 0.808 36 L CB 0.809 42.618 42.059 -0.417 0.000 1.136 36 L HN 1.139 nan 8.230 nan 0.000 0.466 37 G N -0.312 108.376 108.800 -0.187 0.000 2.231 37 G HA2 0.055 4.015 3.960 -0.000 0.000 0.206 37 G HA3 0.055 4.015 3.960 -0.000 0.000 0.206 37 G C 0.562 175.480 174.900 0.030 0.000 0.996 37 G CA -0.144 44.886 45.100 -0.117 0.000 0.645 37 G HN 1.411 nan 8.290 nan 0.000 0.498 38 G N -0.847 107.958 108.800 0.009 0.000 2.645 38 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.246 38 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.246 38 G C 0.979 175.874 174.900 -0.008 0.000 1.322 38 G CA 0.978 46.087 45.100 0.016 0.000 0.898 38 G HN 1.265 nan 8.290 nan 0.000 0.573 39 T N -0.494 114.054 114.554 -0.010 0.000 2.684 39 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 39 T C 2.485 177.180 174.700 -0.009 0.000 1.036 39 T CA 2.653 64.740 62.100 -0.021 0.000 1.148 39 T CB -0.689 68.166 68.868 -0.020 0.000 0.863 39 T HN 1.024 nan 8.240 nan 0.000 0.436 40 c N 0.849 119.457 118.600 0.014 0.000 2.413 40 c HA -0.071 4.499 4.570 -0.000 0.000 0.278 40 c C 2.538 176.629 174.090 0.001 0.000 1.224 40 c CA 0.759 57.100 56.329 0.021 0.000 1.732 40 c CB -1.337 41.203 42.510 0.051 0.000 2.050 40 c HN 0.434 nan 8.230 nan 0.000 0.463 41 L N 0.568 121.790 121.223 -0.002 0.000 2.131 41 L HA 0.067 4.407 4.340 -0.000 0.000 0.206 41 L C 2.830 179.666 176.870 -0.057 0.000 1.087 41 L CA 1.655 56.473 54.840 -0.037 0.000 0.767 41 L CB -0.742 41.280 42.059 -0.061 0.000 0.917 41 L HN 0.307 nan 8.230 nan 0.000 0.441 42 R N -0.859 119.609 120.500 -0.053 0.000 2.062 42 R HA 0.050 4.390 4.340 -0.000 0.000 0.226 42 R C 0.978 177.246 176.300 -0.055 0.000 1.125 42 R CA 1.592 57.656 56.100 -0.061 0.000 0.966 42 R CB 0.020 30.283 30.300 -0.061 0.000 0.861 42 R HN 0.345 nan 8.270 nan 0.000 0.433 43 V N -4.276 115.611 119.914 -0.046 0.000 3.157 43 V HA 0.514 4.633 4.120 -0.000 0.000 0.361 43 V C 0.044 176.120 176.094 -0.030 0.000 1.421 43 V CA -0.033 62.242 62.300 -0.042 0.000 1.213 43 V CB 0.694 32.489 31.823 -0.046 0.000 1.164 43 V HN 0.290 nan 8.190 nan 0.000 0.559 44 G N -0.012 108.773 108.800 -0.025 0.000 3.324 44 G HA2 0.203 4.163 3.960 -0.000 0.000 0.188 44 G HA3 0.203 4.163 3.960 -0.000 0.000 0.188 44 G C 0.970 175.864 174.900 -0.010 0.000 1.384 44 G CA 0.713 45.807 45.100 -0.010 0.000 0.841 44 G HN 0.266 nan 8.290 nan 0.000 0.758 45 c N 1.054 119.655 118.600 0.001 0.000 2.385 45 c HA -0.046 4.524 4.570 -0.000 0.000 0.275 45 c C 2.760 176.819 174.090 -0.053 0.000 1.207 45 c CA 0.506 56.829 56.329 -0.009 0.000 1.760 45 c CB -1.187 41.326 42.510 0.004 0.000 2.051 45 c HN 0.391 nan 8.230 nan 0.000 0.467 46 I N 2.060 122.597 120.570 -0.055 0.000 2.193 46 I HA -0.057 4.113 4.170 -0.000 0.000 0.240 46 I C 0.077 176.140 176.117 -0.089 0.000 1.084 46 I CA 1.461 62.713 61.300 -0.080 0.000 1.365 46 I CB -2.729 35.225 38.000 -0.077 0.000 1.064 46 I HN 0.215 nan 8.210 nan 0.000 0.410 47 P HA -0.100 nan 4.420 nan 0.000 0.217 47 P C 1.856 179.112 177.300 -0.072 0.000 1.150 47 P CA 1.889 64.940 63.100 -0.081 0.000 0.832 47 P CB -0.143 31.518 31.700 -0.066 0.000 0.787 48 S N -0.084 115.582 115.700 -0.057 0.000 2.383 48 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 48 S C 1.992 176.560 174.600 -0.054 0.000 1.026 48 S CA 1.043 59.214 58.200 -0.048 0.000 0.981 48 S CB -0.830 62.361 63.200 -0.015 0.000 0.818 48 S HN 0.019 nan 8.310 nan 0.000 0.472 49 K N 1.976 122.331 120.400 -0.074 0.000 2.155 49 K HA 0.328 4.648 4.320 -0.000 0.000 0.203 49 K C 2.329 178.889 176.600 -0.066 0.000 1.052 49 K CA 0.967 57.195 56.287 -0.098 0.000 0.948 49 K CB -0.804 31.573 32.500 -0.206 0.000 0.728 49 K HN 0.451 nan 8.250 nan 0.000 0.448 50 A N 0.721 123.502 122.820 -0.065 0.000 1.883 50 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 50 A C 2.065 179.657 177.584 0.014 0.000 1.186 50 A CA 1.443 53.468 52.037 -0.020 0.000 0.624 50 A CB -0.694 18.237 19.000 -0.115 0.000 0.822 50 A HN 0.210 nan 8.150 nan 0.000 0.444 51 L N -1.010 120.184 121.223 -0.048 0.000 2.093 51 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 51 L C 2.581 179.390 176.870 -0.101 0.000 1.085 51 L CA 0.842 55.624 54.840 -0.098 0.000 0.755 51 L CB -0.482 41.471 42.059 -0.175 0.000 0.904 51 L HN 0.363 nan 8.230 nan 0.000 0.435 52 L N -0.693 120.489 121.223 -0.069 0.000 2.027 52 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 52 L C 2.777 179.639 176.870 -0.013 0.000 1.074 52 L CA 1.093 55.910 54.840 -0.038 0.000 0.745 52 L CB -0.415 41.652 42.059 0.014 0.000 0.898 52 L HN 0.240 nan 8.230 nan 0.000 0.433 53 E N -0.261 119.937 120.200 -0.005 0.000 2.072 53 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 53 E C 2.218 178.808 176.600 -0.018 0.000 0.985 53 E CA 2.026 58.428 56.400 0.004 0.000 0.801 53 E CB -0.333 29.372 29.700 0.008 0.000 0.750 53 E HN 0.598 nan 8.360 nan 0.000 0.452 54 T N -0.570 113.969 114.554 -0.026 0.000 2.812 54 T HA -0.123 4.227 4.350 -0.000 0.000 0.264 54 T C 2.200 176.866 174.700 -0.056 0.000 1.042 54 T CA 1.974 64.040 62.100 -0.057 0.000 1.140 54 T CB -0.841 67.990 68.868 -0.061 0.000 0.870 54 T HN 0.210 nan 8.240 nan 0.000 0.445 55 T N -0.025 114.488 114.554 -0.068 0.000 2.915 55 T HA -0.048 4.301 4.350 -0.000 0.000 0.269 55 T C 1.879 176.565 174.700 -0.023 0.000 1.071 55 T CA 1.085 63.142 62.100 -0.072 0.000 1.132 55 T CB -0.435 68.345 68.868 -0.146 0.000 0.878 55 T HN 0.330 nan 8.240 nan 0.000 0.479 56 E N 1.412 121.601 120.200 -0.019 0.000 2.058 56 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 56 E C 2.425 179.020 176.600 -0.007 0.000 0.997 56 E CA 1.005 57.405 56.400 0.001 0.000 0.801 56 E CB -0.112 29.582 29.700 -0.010 0.000 0.746 56 E HN 0.341 nan 8.360 nan 0.000 0.450 57 R N 0.287 120.770 120.500 -0.028 0.000 2.081 57 R HA -0.048 4.291 4.340 -0.000 0.000 0.235 57 R C 2.584 178.870 176.300 -0.023 0.000 1.131 57 R CA 0.742 56.819 56.100 -0.039 0.000 0.960 57 R CB -0.907 29.364 30.300 -0.048 0.000 0.856 57 R HN 0.341 nan 8.270 nan 0.000 0.436 58 I N -0.292 120.274 120.570 -0.006 0.000 2.226 58 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 58 I C 2.307 178.451 176.117 0.045 0.000 1.100 58 I CA 1.253 62.558 61.300 0.008 0.000 1.374 58 I CB -0.365 37.639 38.000 0.008 0.000 1.057 58 I HN 0.042 nan 8.210 nan 0.000 0.413 59 Y N 1.801 122.054 120.300 -0.079 0.000 2.242 59 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 59 Y C 2.508 178.363 175.900 -0.074 0.000 1.137 59 Y CA 1.422 59.475 58.100 -0.079 0.000 1.181 59 Y CB -0.106 38.305 38.460 -0.082 0.000 0.989 59 Y HN 0.102 nan 8.280 nan 0.000 0.527 60 E N 0.021 120.178 120.200 -0.070 0.000 2.110 60 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 60 E C 2.392 178.908 176.600 -0.140 0.000 0.988 60 E CA 1.111 57.422 56.400 -0.147 0.000 0.804 60 E CB -0.674 28.958 29.700 -0.115 0.000 0.745 60 E HN 0.515 nan 8.360 nan 0.000 0.458 61 A N 1.276 124.038 122.820 -0.096 0.000 1.930 61 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 61 A C 2.074 179.602 177.584 -0.095 0.000 1.175 61 A CA 1.503 53.493 52.037 -0.078 0.000 0.627 61 A CB -0.284 18.685 19.000 -0.052 0.000 0.815 61 A HN 0.120 nan 8.150 nan 0.000 0.443 62 K N -0.343 119.984 120.400 -0.121 0.000 2.097 62 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 62 K C 1.774 178.268 176.600 -0.177 0.000 1.050 62 K CA 1.234 57.442 56.287 -0.131 0.000 0.938 62 K CB -0.044 32.381 32.500 -0.124 0.000 0.718 62 K HN 0.183 nan 8.250 nan 0.000 0.442 63 K N -0.094 120.144 120.400 -0.270 0.000 2.296 63 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 63 K C 0.662 177.180 176.600 -0.137 0.000 1.048 63 K CA 0.747 56.889 56.287 -0.242 0.000 0.966 63 K CB 0.417 32.717 32.500 -0.333 0.000 0.754 63 K HN 0.346 nan 8.250 nan 0.000 0.466 64 G N 0.713 109.444 108.800 -0.114 0.000 2.697 64 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.684 64 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.684 64 G C -1.249 173.611 174.900 -0.065 0.000 1.274 64 G CA -0.985 44.070 45.100 -0.074 0.000 0.806 64 G HN 0.032 nan 8.290 nan 0.000 0.644 65 L N 1.751 122.946 121.223 -0.048 0.000 2.307 65 L HA 0.551 4.890 4.340 -0.000 0.000 0.284 65 L C 0.975 177.830 176.870 -0.026 0.000 1.023 65 L CA -1.015 53.803 54.840 -0.038 0.000 0.810 65 L CB 1.658 43.696 42.059 -0.034 0.000 1.231 65 L HN 0.545 nan 8.230 nan 0.000 0.423 66 L N 3.124 124.335 121.223 -0.019 0.000 2.540 66 L HA 0.101 4.441 4.340 -0.000 0.000 0.276 66 L C 1.284 178.148 176.870 -0.010 0.000 1.212 66 L CA 0.850 55.683 54.840 -0.011 0.000 0.893 66 L CB 0.274 42.331 42.059 -0.003 0.000 1.138 66 L HN 1.003 nan 8.230 nan 0.000 0.491 67 G N 2.284 111.079 108.800 -0.008 0.000 2.143 67 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.248 67 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.248 67 G C 0.010 174.904 174.900 -0.010 0.000 0.991 67 G CA 0.113 45.209 45.100 -0.007 0.000 0.689 67 G HN 1.097 nan 8.290 nan 0.000 0.522 68 A N -0.931 121.882 122.820 -0.013 0.000 2.587 68 A HA 0.817 5.137 4.320 -0.000 0.000 0.293 68 A C -0.480 177.095 177.584 -0.016 0.000 1.087 68 A CA -0.656 51.372 52.037 -0.014 0.000 0.692 68 A CB 1.198 20.188 19.000 -0.017 0.000 1.291 68 A HN 0.333 nan 8.150 nan 0.000 0.407 69 K N 1.119 121.509 120.400 -0.015 0.000 2.293 69 K HA 0.560 4.880 4.320 -0.000 0.000 0.267 69 K C -1.242 175.348 176.600 -0.018 0.000 1.010 69 K CA -0.433 55.844 56.287 -0.016 0.000 0.875 69 K CB 1.780 34.272 32.500 -0.013 0.000 1.106 69 K HN 0.389 nan 8.250 nan 0.000 0.450 70 V N 3.903 123.804 119.914 -0.023 0.000 2.417 70 V HA 0.249 4.369 4.120 -0.000 0.000 0.291 70 V C 0.250 176.330 176.094 -0.023 0.000 1.024 70 V CA -1.012 61.273 62.300 -0.025 0.000 0.861 70 V CB 1.294 33.097 31.823 -0.033 0.000 0.985 70 V HN 0.675 nan 8.190 nan 0.000 0.436 71 K N 2.223 122.611 120.400 -0.019 0.000 2.233 71 K HA 0.439 4.759 4.320 -0.000 0.000 0.239 71 K C 0.881 177.471 176.600 -0.018 0.000 1.064 71 K CA -0.028 56.249 56.287 -0.016 0.000 0.884 71 K CB 0.351 32.844 32.500 -0.012 0.000 1.166 71 K HN 0.883 nan 8.250 nan 0.000 0.512 72 G N -0.031 108.761 108.800 -0.014 0.000 2.491 72 G HA2 0.272 4.232 3.960 -0.000 0.000 0.238 72 G HA3 0.272 4.232 3.960 -0.000 0.000 0.238 72 G C -0.607 174.286 174.900 -0.011 0.000 1.277 72 G CA -0.550 44.543 45.100 -0.012 0.000 0.851 72 G HN 0.203 nan 8.290 nan 0.000 0.573 73 V N 1.653 121.561 119.914 -0.010 0.000 2.459 73 V HA 0.350 4.470 4.120 -0.000 0.000 0.295 73 V C 0.142 176.238 176.094 0.003 0.000 1.029 73 V CA -0.736 61.559 62.300 -0.007 0.000 0.874 73 V CB 1.618 33.433 31.823 -0.013 0.000 0.985 73 V HN 0.858 nan 8.190 nan 0.000 0.438 74 E N 3.760 123.963 120.200 0.005 0.000 2.134 74 E HA 0.405 4.755 4.350 -0.000 0.000 0.278 74 E C -0.905 175.705 176.600 0.016 0.000 0.959 74 E CA -0.883 55.524 56.400 0.012 0.000 0.783 74 E CB 1.677 31.383 29.700 0.010 0.000 1.095 74 E HN 0.595 nan 8.360 nan 0.000 0.399 75 L N 4.466 125.705 121.223 0.027 0.000 2.453 75 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 75 L C -0.479 176.412 176.870 0.034 0.000 1.182 75 L CA 0.651 55.511 54.840 0.033 0.000 0.858 75 L CB 0.931 43.022 42.059 0.054 0.000 1.120 75 L HN 0.488 nan 8.230 nan 0.000 0.474 76 D N 4.043 124.461 120.400 0.029 0.000 2.432 76 D HA 0.096 4.736 4.640 -0.000 0.000 0.265 76 D C 0.645 176.971 176.300 0.043 0.000 1.160 76 D CA -0.369 53.650 54.000 0.032 0.000 0.911 76 D CB 0.738 41.549 40.800 0.018 0.000 1.052 76 D HN 0.587 nan 8.370 nan 0.000 0.508 77 L N 4.950 126.213 121.223 0.067 0.000 2.056 77 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 77 L C -0.992 175.927 176.870 0.082 0.000 1.078 77 L CA 1.684 56.580 54.840 0.093 0.000 0.749 77 L CB -0.769 41.380 42.059 0.150 0.000 0.901 77 L HN 0.281 nan 8.230 nan 0.000 0.433 78 P HA -0.163 nan 4.420 nan 0.000 0.216 78 P C 1.454 178.782 177.300 0.046 0.000 1.150 78 P CA 1.893 65.026 63.100 0.055 0.000 0.837 78 P CB -0.118 31.609 31.700 0.044 0.000 0.786 79 A N -1.016 121.828 122.820 0.039 0.000 1.929 79 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 79 A C 2.133 179.746 177.584 0.047 0.000 1.176 79 A CA 1.140 53.198 52.037 0.034 0.000 0.628 79 A CB -1.581 17.429 19.000 0.018 0.000 0.816 79 A HN 0.129 nan 8.150 nan 0.000 0.444 80 L N -0.838 120.409 121.223 0.040 0.000 2.017 80 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 80 L C 2.413 179.321 176.870 0.063 0.000 1.073 80 L CA 1.893 56.757 54.840 0.041 0.000 0.745 80 L CB -0.330 41.732 42.059 0.005 0.000 0.894 80 L HN 0.291 nan 8.230 nan 0.000 0.432 81 M N -1.210 118.423 119.600 0.055 0.000 2.254 81 M HA -0.042 4.437 4.480 -0.000 0.000 0.265 81 M C 2.382 178.702 176.300 0.032 0.000 1.066 81 M CA 1.433 56.760 55.300 0.045 0.000 1.123 81 M CB -1.462 31.177 32.600 0.065 0.000 1.388 81 M HN 0.414 nan 8.290 nan 0.000 0.425 82 A N -0.620 122.227 122.820 0.044 0.000 1.902 82 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 82 A C 2.014 179.623 177.584 0.040 0.000 1.181 82 A CA 2.215 54.273 52.037 0.034 0.000 0.623 82 A CB -1.056 17.968 19.000 0.039 0.000 0.818 82 A HN 0.573 nan 8.150 nan 0.000 0.443 83 H N 0.140 119.197 119.070 -0.022 0.000 2.321 83 H HA -0.119 4.436 4.556 -0.000 0.000 0.300 83 H C 2.025 177.330 175.328 -0.037 0.000 1.087 83 H CA 2.238 58.267 56.048 -0.031 0.000 1.319 83 H CB -0.180 29.561 29.762 -0.034 0.000 1.379 83 H HN 0.457 nan 8.280 nan 0.000 0.501 84 K N -0.074 120.230 120.400 -0.160 0.000 2.044 84 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 84 K C 1.564 178.056 176.600 -0.181 0.000 1.049 84 K CA 2.093 58.260 56.287 -0.200 0.000 0.927 84 K CB -0.157 32.295 32.500 -0.081 0.000 0.713 84 K HN 0.370 nan 8.250 nan 0.000 0.443 85 D N 0.502 120.836 120.400 -0.109 0.000 2.144 85 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 85 D C 1.854 178.092 176.300 -0.103 0.000 0.984 85 D CA 1.126 55.075 54.000 -0.085 0.000 0.834 85 D CB 0.015 40.787 40.800 -0.047 0.000 0.955 85 D HN 0.267 nan 8.370 nan 0.000 0.465 86 K N 0.288 120.619 120.400 -0.115 0.000 2.057 86 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 86 K C 2.150 178.662 176.600 -0.146 0.000 1.050 86 K CA 0.496 56.720 56.287 -0.106 0.000 0.935 86 K CB 0.020 32.479 32.500 -0.068 0.000 0.715 86 K HN -0.046 nan 8.250 nan 0.000 0.439 87 V N 0.731 120.499 119.914 -0.243 0.000 2.295 87 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 87 V C 2.217 178.215 176.094 -0.161 0.000 1.049 87 V CA 1.511 63.672 62.300 -0.232 0.000 1.024 87 V CB -0.290 31.329 31.823 -0.341 0.000 0.648 87 V HN 0.098 nan 8.190 nan 0.000 0.447 88 V N -0.504 119.320 119.914 -0.151 0.000 2.332 88 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 88 V C 2.540 178.569 176.094 -0.108 0.000 1.055 88 V CA 2.081 64.310 62.300 -0.118 0.000 1.038 88 V CB -0.633 31.128 31.823 -0.102 0.000 0.651 88 V HN 0.528 nan 8.190 nan 0.000 0.450 89 Q N -0.415 119.325 119.800 -0.101 0.000 2.119 89 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 89 Q C 2.319 178.264 176.000 -0.091 0.000 0.972 89 Q CA 1.843 57.593 55.803 -0.088 0.000 0.847 89 Q CB -0.253 28.442 28.738 -0.072 0.000 0.903 89 Q HN 0.645 nan 8.270 nan 0.000 0.433 90 A N 0.949 123.712 122.820 -0.096 0.000 1.930 90 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 90 A C 1.850 179.368 177.584 -0.110 0.000 1.175 90 A CA 1.208 53.188 52.037 -0.096 0.000 0.627 90 A CB -0.403 18.542 19.000 -0.092 0.000 0.815 90 A HN 0.370 nan 8.150 nan 0.000 0.443 91 N N -0.204 118.426 118.700 -0.117 0.000 2.171 91 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 91 N C 2.008 177.417 175.510 -0.167 0.000 1.021 91 N CA 2.113 55.085 53.050 -0.129 0.000 0.854 91 N CB -0.350 38.068 38.487 -0.114 0.000 0.994 91 N HN 0.697 nan 8.380 nan 0.000 0.426 92 T N -0.829 113.629 114.554 -0.159 0.000 2.821 92 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 92 T C 1.836 176.427 174.700 -0.183 0.000 1.046 92 T CA 0.890 62.875 62.100 -0.191 0.000 1.139 92 T CB -0.272 68.506 68.868 -0.150 0.000 0.871 92 T HN 0.187 nan 8.240 nan 0.000 0.454 93 Q N 0.828 120.552 119.800 -0.127 0.000 2.167 93 Q HA 0.051 4.390 4.340 -0.000 0.000 0.202 93 Q C 2.710 178.671 176.000 -0.065 0.000 0.970 93 Q CA 1.175 56.928 55.803 -0.084 0.000 0.855 93 Q CB -0.556 28.149 28.738 -0.056 0.000 0.911 93 Q HN 0.739 nan 8.270 nan 0.000 0.438 94 G N 0.193 108.927 108.800 -0.110 0.000 2.422 94 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 94 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 94 G C 1.468 176.308 174.900 -0.100 0.000 1.146 94 G CA 0.834 45.872 45.100 -0.103 0.000 0.769 94 G HN 0.212 nan 8.290 nan 0.000 0.547 95 V N 0.508 120.261 119.914 -0.269 0.000 2.427 95 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 95 V C 2.532 178.393 176.094 -0.388 0.000 1.051 95 V CA 2.126 64.137 62.300 -0.480 0.000 1.048 95 V CB -0.297 31.020 31.823 -0.844 0.000 0.666 95 V HN 0.521 nan 8.190 nan 0.000 0.456 96 E N 0.045 120.090 120.200 -0.258 0.000 2.051 96 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 96 E C 1.992 178.608 176.600 0.027 0.000 0.991 96 E CA 1.741 58.061 56.400 -0.133 0.000 0.799 96 E CB -0.311 29.341 29.700 -0.079 0.000 0.748 96 E HN 0.550 nan 8.360 nan 0.000 0.449 97 F N 0.659 120.565 119.950 -0.073 0.000 2.095 97 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 97 F C 1.791 177.607 175.800 0.027 0.000 1.104 97 F CA 1.558 59.545 58.000 -0.021 0.000 1.232 97 F CB -0.067 38.912 39.000 -0.035 0.000 0.987 97 F HN 0.026 nan 8.300 nan 0.000 0.475 98 L N -1.123 120.281 121.223 0.301 0.000 2.141 98 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 98 L C 2.425 179.466 176.870 0.284 0.000 1.094 98 L CA 1.083 56.088 54.840 0.275 0.000 0.763 98 L CB -0.786 41.432 42.059 0.265 0.000 0.908 98 L HN 0.184 nan 8.230 nan 0.000 0.437 99 F N 0.427 120.380 119.950 0.004 0.000 2.084 99 F HA -0.267 4.260 4.527 -0.000 0.000 0.296 99 F C 2.791 178.558 175.800 -0.055 0.000 1.111 99 F CA 1.088 59.078 58.000 -0.016 0.000 1.224 99 F CB -0.048 38.938 39.000 -0.022 0.000 0.991 99 F HN -0.014 nan 8.300 nan 0.000 0.471 100 K N 1.120 121.581 120.400 0.102 0.000 2.063 100 K HA -0.263 4.057 4.320 -0.000 0.000 0.208 100 K C 2.094 178.630 176.600 -0.106 0.000 1.048 100 K CA 1.689 57.951 56.287 -0.042 0.000 0.928 100 K CB -0.169 32.262 32.500 -0.115 0.000 0.713 100 K HN 0.076 nan 8.250 nan 0.000 0.442 101 K N 0.311 120.614 120.400 -0.162 0.000 2.057 101 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 101 K C 1.312 177.881 176.600 -0.050 0.000 1.049 101 K CA 1.626 57.821 56.287 -0.154 0.000 0.931 101 K CB 0.027 32.441 32.500 -0.145 0.000 0.714 101 K HN 0.182 nan 8.250 nan 0.000 0.440 102 N N -0.237 118.459 118.700 -0.007 0.000 2.336 102 N HA 0.018 4.758 4.740 -0.000 0.000 0.189 102 N C 0.311 175.799 175.510 -0.038 0.000 1.113 102 N CA 0.935 53.982 53.050 -0.006 0.000 0.858 102 N CB 0.963 39.462 38.487 0.020 0.000 0.970 102 N HN 0.482 nan 8.380 nan 0.000 0.471 103 G N 1.575 110.348 108.800 -0.045 0.000 2.176 103 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.252 103 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.252 103 G C 0.026 174.879 174.900 -0.077 0.000 1.024 103 G CA -0.157 44.915 45.100 -0.048 0.000 0.755 103 G HN 0.318 nan 8.290 nan 0.000 0.507 104 I N 1.306 121.785 120.570 -0.152 0.000 2.396 104 I HA 0.486 4.656 4.170 -0.000 0.000 0.289 104 I C 1.050 177.035 176.117 -0.220 0.000 1.056 104 I CA -0.025 61.094 61.300 -0.301 0.000 1.365 104 I CB 1.301 38.867 38.000 -0.724 0.000 1.407 104 I HN 0.327 nan 8.210 nan 0.000 0.509 105 A N 7.772 130.501 122.820 -0.152 0.000 2.354 105 A HA 0.543 4.863 4.320 -0.000 0.000 0.269 105 A C -0.052 177.465 177.584 -0.112 0.000 1.109 105 A CA -0.403 51.585 52.037 -0.081 0.000 0.800 105 A CB 0.603 19.643 19.000 0.066 0.000 1.045 105 A HN 0.712 nan 8.150 nan 0.000 0.489 106 R N 1.710 122.156 120.500 -0.091 0.000 2.599 106 R HA 0.401 4.741 4.340 -0.000 0.000 0.295 106 R C -1.450 174.753 176.300 -0.161 0.000 0.963 106 R CA -0.408 55.693 56.100 0.002 0.000 0.883 106 R CB 0.997 31.388 30.300 0.152 0.000 1.171 106 R HN 0.970 nan 8.270 nan 0.000 0.450 107 H N 2.683 121.783 119.070 0.050 0.000 2.538 107 H HA 0.178 4.734 4.556 -0.000 0.000 0.353 107 H C -0.791 174.558 175.328 0.036 0.000 1.109 107 H CA -0.622 55.452 56.048 0.044 0.000 1.192 107 H CB 2.614 32.400 29.762 0.041 0.000 1.555 107 H HN 0.424 nan 8.280 nan 0.000 0.518 108 Q N 2.155 122.032 119.800 0.128 0.000 2.340 108 Q HA 0.512 4.852 4.340 -0.000 0.000 0.259 108 Q C -0.601 175.441 176.000 0.070 0.000 0.964 108 Q CA -0.661 55.189 55.803 0.078 0.000 0.900 108 Q CB 1.050 29.813 28.738 0.042 0.000 1.228 108 Q HN 1.007 nan 8.270 nan 0.000 0.449 109 G N 1.453 110.287 108.800 0.056 0.000 2.337 109 G HA2 0.033 3.993 3.960 -0.000 0.000 0.298 109 G HA3 0.033 3.993 3.960 -0.000 0.000 0.298 109 G C -1.289 173.629 174.900 0.030 0.000 1.335 109 G CA -0.882 44.241 45.100 0.039 0.000 0.875 109 G HN 0.357 nan 8.290 nan 0.000 0.579 110 T N 1.439 116.007 114.554 0.023 0.000 2.729 110 T HA 0.593 4.943 4.350 -0.000 0.000 0.296 110 T C 0.827 175.520 174.700 -0.012 0.000 0.928 110 T CA 0.716 62.828 62.100 0.020 0.000 1.045 110 T CB 0.899 69.786 68.868 0.032 0.000 0.902 110 T HN 1.316 nan 8.240 nan 0.000 0.500 111 A N 4.421 127.218 122.820 -0.038 0.000 2.462 111 A HA 0.566 4.886 4.320 -0.000 0.000 0.243 111 A C 0.527 178.036 177.584 -0.125 0.000 1.076 111 A CA -0.291 51.679 52.037 -0.111 0.000 0.773 111 A CB 0.235 19.136 19.000 -0.166 0.000 1.010 111 A HN 0.834 nan 8.150 nan 0.000 0.493 112 R N 2.355 122.763 120.500 -0.154 0.000 2.510 112 R HA 0.406 4.746 4.340 -0.000 0.000 0.287 112 R C -1.746 174.500 176.300 -0.090 0.000 1.084 112 R CA -0.532 55.515 56.100 -0.088 0.000 0.934 112 R CB 0.750 31.040 30.300 -0.017 0.000 1.201 112 R HN 0.622 nan 8.270 nan 0.000 0.431 113 F N 4.860 124.816 119.950 0.010 0.000 2.578 113 F HA 0.034 4.560 4.527 -0.000 0.000 0.376 113 F C 1.367 177.174 175.800 0.012 0.000 1.085 113 F CA 0.250 58.258 58.000 0.015 0.000 1.260 113 F CB 0.766 39.775 39.000 0.014 0.000 1.095 113 F HN 0.475 nan 8.300 nan 0.000 0.573 114 L N 1.629 122.971 121.223 0.198 0.000 2.316 114 L HA 0.139 4.478 4.340 -0.000 0.000 0.207 114 L C 0.788 177.733 176.870 0.126 0.000 1.070 114 L CA 0.310 55.224 54.840 0.123 0.000 0.820 114 L CB -0.231 41.872 42.059 0.074 0.000 0.992 114 L HN 0.690 nan 8.230 nan 0.000 0.466 115 S N -1.778 114.026 115.700 0.172 0.000 2.752 115 S HA 0.117 4.587 4.470 -0.000 0.000 0.284 115 S C 0.441 175.146 174.600 0.175 0.000 1.189 115 S CA -0.362 57.914 58.200 0.127 0.000 0.835 115 S CB 1.269 64.522 63.200 0.088 0.000 1.192 115 S HN 0.264 nan 8.310 nan 0.000 0.506 116 E N 0.301 120.567 120.200 0.110 0.000 2.333 116 E HA -0.069 4.281 4.350 -0.000 0.000 0.198 116 E C 1.396 178.204 176.600 0.348 0.000 1.007 116 E CA 0.741 57.226 56.400 0.143 0.000 0.845 116 E CB -0.198 29.589 29.700 0.145 0.000 0.766 116 E HN 0.586 nan 8.360 nan 0.000 0.507 117 R N -0.316 120.331 120.500 0.246 0.000 2.446 117 R HA 0.280 4.620 4.340 -0.000 0.000 0.254 117 R C -0.019 176.375 176.300 0.158 0.000 0.918 117 R CA -0.073 56.140 56.100 0.189 0.000 1.069 117 R CB 0.813 31.133 30.300 0.034 0.000 1.194 117 R HN -0.111 nan 8.270 nan 0.000 0.534 118 K N 0.853 121.355 120.400 0.169 0.000 2.378 118 K HA 0.498 4.818 4.320 -0.000 0.000 0.252 118 K C -1.416 175.240 176.600 0.093 0.000 0.931 118 K CA -0.614 55.735 56.287 0.102 0.000 0.794 118 K CB 3.039 35.579 32.500 0.066 0.000 1.181 118 K HN -0.227 nan 8.250 nan 0.000 0.425 119 V N 3.659 123.571 119.914 -0.004 0.000 2.577 119 V HA 0.295 4.414 4.120 -0.000 0.000 0.303 119 V C -1.032 175.009 176.094 -0.088 0.000 1.042 119 V CA -1.003 61.229 62.300 -0.114 0.000 0.872 119 V CB 1.744 33.417 31.823 -0.250 0.000 0.998 119 V HN 0.576 nan 8.190 nan 0.000 0.423 120 L N 6.356 127.534 121.223 -0.075 0.000 2.276 120 L HA 0.543 4.883 4.340 -0.000 0.000 0.286 120 L C -0.145 176.686 176.870 -0.064 0.000 1.061 120 L CA 0.270 55.080 54.840 -0.050 0.000 0.807 120 L CB 1.488 43.534 42.059 -0.020 0.000 1.177 120 L HN 0.465 nan 8.230 nan 0.000 0.429 121 V N 6.663 126.544 119.914 -0.056 0.000 2.338 121 V HA 0.157 4.277 4.120 -0.000 0.000 0.255 121 V C 1.216 177.308 176.094 -0.004 0.000 1.082 121 V CA -0.208 62.071 62.300 -0.034 0.000 0.951 121 V CB 0.038 31.848 31.823 -0.023 0.000 1.102 121 V HN 0.897 nan 8.190 nan 0.000 0.489 122 E N 2.616 122.814 120.200 -0.003 0.000 2.097 122 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 122 E C 1.447 178.055 176.600 0.013 0.000 1.000 122 E CA 1.549 57.952 56.400 0.005 0.000 0.804 122 E CB 0.239 29.944 29.700 0.007 0.000 0.740 122 E HN 0.744 nan 8.360 nan 0.000 0.454 123 E N -0.632 119.580 120.200 0.019 0.000 2.299 123 E HA -0.068 4.281 4.350 -0.000 0.000 0.193 123 E C 1.832 178.448 176.600 0.027 0.000 0.998 123 E CA 1.324 57.737 56.400 0.021 0.000 0.851 123 E CB 0.206 29.919 29.700 0.022 0.000 0.795 123 E HN 0.309 nan 8.360 nan 0.000 0.492 124 T N -4.344 110.231 114.554 0.036 0.000 3.040 124 T HA 0.292 4.641 4.350 -0.000 0.000 0.250 124 T C 1.667 176.389 174.700 0.036 0.000 1.058 124 T CA 0.262 62.389 62.100 0.044 0.000 0.988 124 T CB 0.514 69.428 68.868 0.077 0.000 0.993 124 T HN 0.178 nan 8.240 nan 0.000 0.519 125 G N 1.604 110.419 108.800 0.025 0.000 2.175 125 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.265 125 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.265 125 G C -0.210 174.700 174.900 0.016 0.000 0.979 125 G CA 0.287 45.398 45.100 0.017 0.000 0.663 125 G HN 0.682 nan 8.290 nan 0.000 0.533 126 E N 0.977 121.191 120.200 0.023 0.000 2.344 126 E HA 0.354 4.703 4.350 -0.000 0.000 0.270 126 E C 0.110 176.701 176.600 -0.014 0.000 1.021 126 E CA 0.027 56.438 56.400 0.018 0.000 0.887 126 E CB 0.565 30.295 29.700 0.051 0.000 0.997 126 E HN 0.532 nan 8.360 nan 0.000 0.429 127 E N 3.681 123.874 120.200 -0.012 0.000 2.081 127 E HA 0.242 4.592 4.350 -0.000 0.000 0.276 127 E C -0.595 175.990 176.600 -0.025 0.000 0.950 127 E CA -0.274 56.114 56.400 -0.018 0.000 0.776 127 E CB 0.924 30.620 29.700 -0.007 0.000 1.094 127 E HN 0.281 nan 8.360 nan 0.000 0.402 128 L N 2.716 123.917 121.223 -0.035 0.000 2.307 128 L HA 0.409 4.749 4.340 -0.000 0.000 0.284 128 L C 0.320 177.206 176.870 0.027 0.000 1.023 128 L CA -0.558 54.276 54.840 -0.011 0.000 0.810 128 L CB 1.285 43.321 42.059 -0.038 0.000 1.231 128 L HN 0.398 nan 8.230 nan 0.000 0.423 129 E N 1.757 121.979 120.200 0.035 0.000 2.207 129 E HA 0.821 5.171 4.350 -0.000 0.000 0.270 129 E C -0.982 175.679 176.600 0.102 0.000 0.927 129 E CA -0.736 55.691 56.400 0.044 0.000 0.799 129 E CB 2.630 32.326 29.700 -0.007 0.000 1.172 129 E HN 0.682 nan 8.360 nan 0.000 0.404 130 A N 1.716 124.595 122.820 0.098 0.000 2.594 130 A HA 0.367 4.687 4.320 -0.000 0.000 0.295 130 A C 0.151 177.749 177.584 0.024 0.000 1.071 130 A CA -0.637 51.473 52.037 0.121 0.000 0.685 130 A CB 1.342 20.461 19.000 0.198 0.000 1.285 130 A HN 0.668 nan 8.150 nan 0.000 0.405 131 R N -0.456 120.023 120.500 -0.035 0.000 2.073 131 R HA 0.002 4.342 4.340 -0.000 0.000 0.229 131 R C -0.524 175.562 176.300 -0.357 0.000 1.120 131 R CA 1.413 57.352 56.100 -0.269 0.000 0.967 131 R CB -0.124 29.977 30.300 -0.331 0.000 0.862 131 R HN 0.677 nan 8.270 nan 0.000 0.436 132 Y N -0.178 120.215 120.300 0.155 0.000 2.446 132 Y HA 0.490 5.040 4.550 -0.000 0.000 0.345 132 Y C -0.127 175.907 175.900 0.224 0.000 0.984 132 Y CA -0.981 57.263 58.100 0.240 0.000 1.058 132 Y CB 1.924 40.466 38.460 0.137 0.000 1.220 132 Y HN -0.181 nan 8.280 nan 0.000 0.455 133 I N 4.052 124.892 120.570 0.449 0.000 2.509 133 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 133 I C -1.437 174.862 176.117 0.303 0.000 1.020 133 I CA -0.986 60.506 61.300 0.321 0.000 1.088 133 I CB 2.095 40.316 38.000 0.367 0.000 1.267 133 I HN 0.336 nan 8.210 nan 0.000 0.430 134 L N 7.977 129.320 121.223 0.200 0.000 2.342 134 L HA 0.563 4.903 4.340 -0.000 0.000 0.276 134 L C -0.846 176.116 176.870 0.153 0.000 0.997 134 L CA -0.115 54.830 54.840 0.174 0.000 0.838 134 L CB 1.113 43.220 42.059 0.079 0.000 1.224 134 L HN 0.391 nan 8.230 nan 0.000 0.416 135 I N 5.678 126.359 120.570 0.185 0.000 2.322 135 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 135 I C 0.527 176.719 176.117 0.126 0.000 1.060 135 I CA 0.082 61.480 61.300 0.164 0.000 1.309 135 I CB 1.220 39.342 38.000 0.203 0.000 1.415 135 I HN 0.825 nan 8.210 nan 0.000 0.492 136 A N 3.849 126.732 122.820 0.105 0.000 3.129 136 A HA 0.269 4.589 4.320 -0.000 0.000 0.282 136 A C 0.984 178.627 177.584 0.098 0.000 0.948 136 A CA -0.388 51.704 52.037 0.091 0.000 1.027 136 A CB -0.375 18.670 19.000 0.075 0.000 1.123 136 A HN 0.731 nan 8.150 nan 0.000 0.485 137 T N -3.036 111.590 114.554 0.120 0.000 3.113 137 T HA 0.427 4.776 4.350 -0.000 0.000 0.256 137 T C 1.371 176.172 174.700 0.169 0.000 1.131 137 T CA 1.007 63.203 62.100 0.160 0.000 1.074 137 T CB -0.195 68.797 68.868 0.207 0.000 0.944 137 T HN 2.000 nan 8.240 nan 0.000 0.516 138 G N 1.660 110.533 108.800 0.123 0.000 2.525 138 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.248 138 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.248 138 G C -0.066 174.906 174.900 0.121 0.000 1.238 138 G CA 0.045 45.199 45.100 0.091 0.000 0.926 138 G HN 1.507 nan 8.290 nan 0.000 0.574 139 S N -1.160 114.587 115.700 0.078 0.000 2.732 139 S HA 1.029 5.498 4.470 -0.000 0.000 0.293 139 S C -0.182 174.433 174.600 0.025 0.000 1.159 139 S CA 0.527 58.785 58.200 0.097 0.000 0.847 139 S CB 1.708 64.947 63.200 0.064 0.000 1.169 139 S HN 2.640 nan 8.310 nan 0.000 0.501 140 A N 0.216 123.071 122.820 0.058 0.000 2.527 140 A HA 0.914 5.234 4.320 -0.000 0.000 0.293 140 A C -3.293 174.310 177.584 0.032 0.000 1.117 140 A CA -2.133 49.906 52.037 0.004 0.000 0.723 140 A CB 0.698 19.720 19.000 0.038 0.000 1.313 140 A HN 0.575 nan 8.150 nan 0.000 0.411 141 P HA 0.223 nan 4.420 nan 0.000 0.265 141 P C -0.574 176.736 177.300 0.015 0.000 1.193 141 P CA -0.012 63.101 63.100 0.022 0.000 0.765 141 P CB 0.288 32.006 31.700 0.031 0.000 0.823 142 L N 5.445 126.666 121.223 -0.004 0.000 2.369 142 L HA 0.275 4.615 4.340 -0.000 0.000 0.279 142 L C -0.553 176.261 176.870 -0.093 0.000 1.108 142 L CA 0.354 55.173 54.840 -0.034 0.000 0.852 142 L CB -0.524 41.518 42.059 -0.028 0.000 1.169 142 L HN 0.263 nan 8.230 nan 0.000 0.452 143 I N 7.762 128.258 120.570 -0.123 0.000 2.405 143 I HA 0.325 4.495 4.170 -0.000 0.000 0.280 143 I C -1.929 173.996 176.117 -0.320 0.000 1.027 143 I CA -1.750 59.421 61.300 -0.215 0.000 1.161 143 I CB 1.027 38.938 38.000 -0.148 0.000 1.300 143 I HN 0.545 nan 8.210 nan 0.000 0.463 144 P HA 0.139 nan 4.420 nan 0.000 0.269 144 P C -2.032 174.858 177.300 -0.683 0.000 1.209 144 P CA -1.059 61.601 63.100 -0.733 0.000 0.776 144 P CB 0.075 30.923 31.700 -1.419 0.000 0.876 145 P HA -0.148 nan 4.420 nan 0.000 0.219 145 P C 1.092 178.311 177.300 -0.135 0.000 1.146 145 P CA 1.345 64.321 63.100 -0.207 0.000 0.808 145 P CB -0.384 31.270 31.700 -0.077 0.000 0.779 146 W N -0.870 120.414 121.300 -0.028 0.000 2.800 146 W HA 0.378 5.038 4.660 0.000 0.000 0.249 146 W C 0.036 176.535 176.519 -0.033 0.000 1.294 146 W CA -0.051 57.276 57.345 -0.030 0.000 1.402 146 W CB -0.894 28.545 29.460 -0.034 0.000 1.126 146 W HN -0.120 nan 8.180 nan 0.000 0.652 147 A N 2.476 125.190 122.820 -0.176 0.000 2.316 147 A HA 0.306 4.626 4.320 -0.000 0.000 0.311 147 A C 0.030 177.548 177.584 -0.109 0.000 1.339 147 A CA -0.453 51.518 52.037 -0.110 0.000 0.960 147 A CB 0.076 18.839 19.000 -0.395 0.000 1.152 147 A HN 0.317 nan 8.150 nan 0.000 0.547 148 Q N 2.303 122.083 119.800 -0.034 0.000 2.678 148 Q HA 0.253 4.593 4.340 -0.000 0.000 0.222 148 Q C -0.682 175.252 176.000 -0.111 0.000 1.281 148 Q CA -0.266 55.502 55.803 -0.059 0.000 0.994 148 Q CB 0.772 29.501 28.738 -0.016 0.000 1.452 148 Q HN 0.560 nan 8.270 nan 0.000 0.570 149 V N 3.411 123.205 119.914 -0.201 0.000 2.439 149 V HA -0.031 4.089 4.120 -0.000 0.000 0.271 149 V C 0.746 176.595 176.094 -0.408 0.000 1.040 149 V CA 0.237 62.319 62.300 -0.364 0.000 1.002 149 V CB 0.677 32.167 31.823 -0.556 0.000 1.000 149 V HN 0.696 nan 8.190 nan 0.000 0.477 150 D N 3.351 123.584 120.400 -0.278 0.000 2.398 150 D HA -0.016 4.624 4.640 -0.000 0.000 0.210 150 D C 0.484 176.793 176.300 0.014 0.000 1.094 150 D CA -0.474 53.465 54.000 -0.103 0.000 0.839 150 D CB -0.272 40.515 40.800 -0.023 0.000 0.963 150 D HN 0.560 nan 8.370 nan 0.000 0.506 151 Y N -0.107 120.202 120.300 0.015 0.000 4.324 151 Y HA -0.311 4.239 4.550 -0.000 0.000 0.224 151 Y C 1.119 177.039 175.900 0.033 0.000 1.113 151 Y CA 1.209 59.320 58.100 0.018 0.000 1.887 151 Y CB -2.115 36.348 38.460 0.005 0.000 1.602 151 Y HN 0.208 nan 8.280 nan 0.000 0.654 152 E N -1.233 119.033 120.200 0.110 0.000 3.596 152 E HA 0.191 4.541 4.350 -0.000 0.000 0.188 152 E C 1.716 178.357 176.600 0.068 0.000 1.232 152 E CA -0.300 56.158 56.400 0.096 0.000 1.460 152 E CB 0.175 29.913 29.700 0.064 0.000 1.513 152 E HN 0.040 nan 8.360 nan 0.000 0.530 153 R N 0.734 121.245 120.500 0.018 0.000 2.128 153 R HA 0.208 4.548 4.340 -0.000 0.000 0.211 153 R C 0.401 176.694 176.300 -0.012 0.000 1.067 153 R CA 0.535 56.624 56.100 -0.018 0.000 1.010 153 R CB 0.499 30.779 30.300 -0.032 0.000 0.922 153 R HN 0.033 nan 8.270 nan 0.000 0.457 154 V N 3.095 122.996 119.914 -0.023 0.000 2.357 154 V HA 0.313 4.433 4.120 -0.000 0.000 0.284 154 V C 0.123 176.169 176.094 -0.079 0.000 1.018 154 V CA -0.744 61.534 62.300 -0.037 0.000 0.841 154 V CB 1.473 33.261 31.823 -0.058 0.000 0.991 154 V HN -0.005 nan 8.190 nan 0.000 0.437 155 V N 1.981 121.884 119.914 -0.018 0.000 3.141 155 V HA 0.913 5.033 4.120 -0.000 0.000 0.312 155 V C 0.082 176.170 176.094 -0.011 0.000 1.157 155 V CA -0.381 61.915 62.300 -0.008 0.000 1.041 155 V CB 2.079 33.971 31.823 0.114 0.000 1.071 155 V HN 0.797 nan 8.190 nan 0.000 0.441 156 T N -1.444 113.131 114.554 0.035 0.000 2.893 156 T HA 0.403 4.753 4.350 -0.000 0.000 0.279 156 T C 1.392 176.106 174.700 0.024 0.000 0.991 156 T CA 0.246 62.373 62.100 0.045 0.000 0.950 156 T CB 1.044 69.974 68.868 0.104 0.000 1.223 156 T HN 1.612 nan 8.240 nan 0.000 0.585 157 S N -0.032 115.679 115.700 0.018 0.000 2.383 157 S HA -0.170 4.300 4.470 -0.000 0.000 0.229 157 S C 1.977 176.560 174.600 -0.029 0.000 1.030 157 S CA 1.764 59.963 58.200 -0.001 0.000 1.002 157 S CB -1.735 61.471 63.200 0.010 0.000 0.829 157 S HN 0.802 nan 8.310 nan 0.000 0.467 158 T N 2.281 116.828 114.554 -0.012 0.000 2.684 158 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 158 T C 1.712 176.376 174.700 -0.059 0.000 1.036 158 T CA 1.935 64.018 62.100 -0.028 0.000 1.148 158 T CB -0.449 68.409 68.868 -0.017 0.000 0.863 158 T HN 0.545 nan 8.240 nan 0.000 0.436 159 E N 1.039 121.203 120.200 -0.060 0.000 2.158 159 E HA 0.211 4.561 4.350 -0.000 0.000 0.191 159 E C 2.229 178.555 176.600 -0.457 0.000 0.982 159 E CA 0.716 57.042 56.400 -0.124 0.000 0.823 159 E CB -0.364 29.340 29.700 0.006 0.000 0.766 159 E HN 0.460 nan 8.360 nan 0.000 0.468 160 A N 0.383 122.897 122.820 -0.511 0.000 2.121 160 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 160 A C 1.852 179.263 177.584 -0.288 0.000 1.154 160 A CA 0.667 52.186 52.037 -0.864 0.000 0.679 160 A CB -0.449 18.374 19.000 -0.295 0.000 0.795 160 A HN 0.206 nan 8.150 nan 0.000 0.458 161 L N -0.868 120.277 121.223 -0.131 0.000 2.478 161 L HA 0.028 4.368 4.340 -0.000 0.000 0.223 161 L C 1.011 177.922 176.870 0.068 0.000 1.140 161 L CA 0.783 55.626 54.840 0.004 0.000 0.842 161 L CB 0.195 42.237 42.059 -0.028 0.000 0.953 161 L HN 0.244 nan 8.230 nan 0.000 0.452 162 S N -1.437 114.263 115.700 -0.000 0.000 3.031 162 S HA 0.290 4.760 4.470 -0.000 0.000 0.253 162 S C 0.169 174.844 174.600 0.126 0.000 0.996 162 S CA -0.641 57.606 58.200 0.078 0.000 1.098 162 S CB 0.104 63.317 63.200 0.022 0.000 1.042 162 S HN 0.052 nan 8.310 nan 0.000 0.593 163 F N 3.485 123.512 119.950 0.130 0.000 2.635 163 F HA 0.039 4.566 4.527 -0.000 0.000 0.379 163 F C -0.597 175.197 175.800 -0.010 0.000 1.094 163 F CA -1.312 56.620 58.000 -0.113 0.000 1.300 163 F CB 0.552 39.182 39.000 -0.618 0.000 1.035 163 F HN 0.142 nan 8.300 nan 0.000 0.581 164 P HA -0.115 nan 4.420 nan 0.000 0.222 164 P C -0.259 177.099 177.300 0.097 0.000 1.153 164 P CA 1.374 64.544 63.100 0.117 0.000 0.798 164 P CB 0.176 31.918 31.700 0.070 0.000 0.796 165 E N -1.152 119.074 120.200 0.043 0.000 2.446 165 E HA 0.267 4.617 4.350 -0.000 0.000 0.276 165 E C -1.045 175.530 176.600 -0.042 0.000 0.969 165 E CA -1.169 55.255 56.400 0.039 0.000 0.800 165 E CB 1.402 31.101 29.700 -0.001 0.000 1.341 165 E HN -0.307 nan 8.360 nan 0.000 0.460 166 V N 2.911 122.861 119.914 0.060 0.000 2.485 166 V HA 0.155 4.275 4.120 -0.000 0.000 0.287 166 V C -1.824 174.184 176.094 -0.144 0.000 1.022 166 V CA -0.843 61.487 62.300 0.049 0.000 1.067 166 V CB 0.127 32.081 31.823 0.218 0.000 0.967 166 V HN 0.531 nan 8.190 nan 0.000 0.479 167 P HA 0.137 nan 4.420 nan 0.000 0.271 167 P C 0.483 177.691 177.300 -0.153 0.000 1.220 167 P CA -0.311 62.579 63.100 -0.350 0.000 0.768 167 P CB 1.079 32.424 31.700 -0.592 0.000 0.848 168 K N 3.044 123.377 120.400 -0.111 0.000 2.057 168 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 168 K C 0.503 177.082 176.600 -0.034 0.000 1.049 168 K CA 1.183 57.443 56.287 -0.045 0.000 0.931 168 K CB 0.172 32.649 32.500 -0.039 0.000 0.714 168 K HN 0.436 nan 8.250 nan 0.000 0.440 169 R N 0.666 121.125 120.500 -0.070 0.000 2.513 169 R HA 0.310 4.650 4.340 -0.000 0.000 0.301 169 R C -1.552 174.690 176.300 -0.096 0.000 0.968 169 R CA -0.747 55.321 56.100 -0.053 0.000 0.872 169 R CB 1.756 32.031 30.300 -0.042 0.000 1.177 169 R HN 0.002 nan 8.270 nan 0.000 0.444 170 L N 4.392 125.579 121.223 -0.060 0.000 2.341 170 L HA 0.590 4.930 4.340 -0.000 0.000 0.278 170 L C -1.234 175.631 176.870 -0.009 0.000 1.005 170 L CA -0.385 54.416 54.840 -0.065 0.000 0.818 170 L CB 1.567 43.605 42.059 -0.036 0.000 1.259 170 L HN 0.575 nan 8.230 nan 0.000 0.418 171 I N 5.371 125.939 120.570 -0.004 0.000 2.378 171 I HA 0.436 4.605 4.170 -0.000 0.000 0.291 171 I C -0.770 175.375 176.117 0.046 0.000 0.992 171 I CA -0.887 60.425 61.300 0.019 0.000 1.154 171 I CB 1.941 39.949 38.000 0.013 0.000 1.315 171 I HN 0.288 nan 8.210 nan 0.000 0.448 172 V N 7.240 127.186 119.914 0.052 0.000 2.347 172 V HA 0.249 4.369 4.120 -0.000 0.000 0.280 172 V C 0.055 176.190 176.094 0.067 0.000 1.021 172 V CA -0.709 61.631 62.300 0.066 0.000 0.847 172 V CB 1.578 33.437 31.823 0.060 0.000 0.990 172 V HN 0.381 nan 8.190 nan 0.000 0.444 173 V N 4.714 124.681 119.914 0.089 0.000 2.339 173 V HA 0.806 4.925 4.120 -0.000 0.000 0.261 173 V C 0.706 176.871 176.094 0.118 0.000 1.058 173 V CA 0.444 62.815 62.300 0.119 0.000 0.897 173 V CB 0.353 32.286 31.823 0.183 0.000 1.052 173 V HN 1.236 nan 8.190 nan 0.000 0.480 174 G N 3.465 112.327 108.800 0.105 0.000 3.101 174 G HA2 0.217 4.177 3.960 -0.000 0.000 0.672 174 G HA3 0.217 4.177 3.960 -0.000 0.000 0.672 174 G C 0.102 175.042 174.900 0.067 0.000 1.331 174 G CA -0.483 44.676 45.100 0.097 0.000 0.925 174 G HN 1.036 nan 8.290 nan 0.000 0.596 175 G N 0.447 109.287 108.800 0.067 0.000 3.609 175 G HA2 0.628 4.588 3.960 -0.000 0.000 0.280 175 G HA3 0.628 4.588 3.960 -0.000 0.000 0.280 175 G C 0.919 175.845 174.900 0.043 0.000 1.155 175 G CA 0.967 46.095 45.100 0.047 0.000 0.876 175 G HN 1.243 nan 8.290 nan 0.000 0.535 176 G N -0.606 108.221 108.800 0.045 0.000 2.563 176 G HA2 0.321 4.281 3.960 -0.000 0.000 0.283 176 G HA3 0.321 4.281 3.960 -0.000 0.000 0.283 176 G C 1.187 176.103 174.900 0.026 0.000 1.309 176 G CA -0.009 45.116 45.100 0.042 0.000 1.022 176 G HN 0.015 nan 8.290 nan 0.000 0.501 177 V N 0.157 120.088 119.914 0.029 0.000 2.255 177 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 177 V C 2.819 178.924 176.094 0.019 0.000 1.051 177 V CA 1.790 64.103 62.300 0.022 0.000 1.018 177 V CB -0.751 31.092 31.823 0.032 0.000 0.641 177 V HN 0.582 nan 8.190 nan 0.000 0.445 178 I N 0.603 121.191 120.570 0.030 0.000 2.226 178 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 178 I C 2.592 178.724 176.117 0.024 0.000 1.100 178 I CA 1.723 63.042 61.300 0.032 0.000 1.374 178 I CB -0.914 37.107 38.000 0.035 0.000 1.057 178 I HN 0.412 nan 8.210 nan 0.000 0.413 179 G N 0.803 109.617 108.800 0.024 0.000 2.402 179 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 179 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 179 G C 1.637 176.532 174.900 -0.007 0.000 1.162 179 G CA 0.416 45.532 45.100 0.027 0.000 0.777 179 G HN 0.208 nan 8.290 nan 0.000 0.539 180 L N 0.623 121.814 121.223 -0.053 0.000 2.027 180 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 180 L C 2.701 179.464 176.870 -0.178 0.000 1.074 180 L CA 1.959 56.701 54.840 -0.164 0.000 0.745 180 L CB -0.629 41.303 42.059 -0.212 0.000 0.898 180 L HN 0.335 nan 8.230 nan 0.000 0.433 181 E N -0.616 119.528 120.200 -0.094 0.000 2.070 181 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 181 E C 2.211 178.786 176.600 -0.041 0.000 1.004 181 E CA 1.818 58.185 56.400 -0.055 0.000 0.805 181 E CB -0.305 29.401 29.700 0.010 0.000 0.744 181 E HN 0.501 nan 8.360 nan 0.000 0.451 182 L N -0.023 121.205 121.223 0.007 0.000 2.156 182 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 182 L C 2.566 179.531 176.870 0.159 0.000 1.095 182 L CA 0.878 55.762 54.840 0.075 0.000 0.770 182 L CB -0.602 41.538 42.059 0.136 0.000 0.914 182 L HN 0.223 nan 8.230 nan 0.000 0.439 183 G N -0.024 108.833 108.800 0.094 0.000 2.446 183 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.217 183 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.217 183 G C 1.596 176.536 174.900 0.066 0.000 1.168 183 G CA 0.943 46.102 45.100 0.098 0.000 0.771 183 G HN 0.174 nan 8.290 nan 0.000 0.551 184 V N 0.372 120.254 119.914 -0.054 0.000 2.407 184 V HA -0.164 3.955 4.120 -0.000 0.000 0.248 184 V C 3.014 179.064 176.094 -0.073 0.000 1.055 184 V CA 1.385 63.650 62.300 -0.058 0.000 1.049 184 V CB -0.298 31.445 31.823 -0.133 0.000 0.662 184 V HN 0.244 nan 8.190 nan 0.000 0.455 185 V N -1.170 118.665 119.914 -0.132 0.000 2.287 185 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 185 V C 2.090 177.976 176.094 -0.347 0.000 1.053 185 V CA 2.384 64.498 62.300 -0.311 0.000 1.027 185 V CB -0.665 30.866 31.823 -0.486 0.000 0.646 185 V HN 0.666 nan 8.190 nan 0.000 0.447 186 W N -0.988 120.342 121.300 0.050 0.000 2.436 186 W HA -0.070 4.590 4.660 -0.000 0.000 0.284 186 W C 2.458 179.020 176.519 0.072 0.000 1.225 186 W CA 1.188 58.583 57.345 0.083 0.000 1.271 186 W CB -0.471 29.077 29.460 0.146 0.000 1.114 186 W HN 0.351 nan 8.180 nan 0.000 0.559 187 H N 1.041 120.186 119.070 0.126 0.000 2.353 187 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 187 H C 2.029 177.324 175.328 -0.054 0.000 1.090 187 H CA 1.648 57.715 56.048 0.032 0.000 1.327 187 H CB 0.099 29.841 29.762 -0.033 0.000 1.383 187 H HN 0.106 nan 8.280 nan 0.000 0.508 188 R N 0.147 120.431 120.500 -0.360 0.000 2.120 188 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 188 R C 2.270 178.509 176.300 -0.102 0.000 1.123 188 R CA 1.085 56.894 56.100 -0.486 0.000 0.975 188 R CB 0.005 30.041 30.300 -0.441 0.000 0.866 188 R HN 0.361 nan 8.270 nan 0.000 0.446 189 L N -0.760 120.450 121.223 -0.022 0.000 2.591 189 L HA 0.215 4.555 4.340 -0.000 0.000 0.228 189 L C 1.051 177.998 176.870 0.129 0.000 1.133 189 L CA 0.399 55.285 54.840 0.078 0.000 0.880 189 L CB 0.404 42.538 42.059 0.125 0.000 1.033 189 L HN 0.496 nan 8.230 nan 0.000 0.450 190 G N -0.358 108.506 108.800 0.106 0.000 2.192 190 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.193 190 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.193 190 G C 0.382 175.368 174.900 0.143 0.000 0.999 190 G CA -0.204 44.963 45.100 0.111 0.000 0.659 190 G HN 0.399 nan 8.290 nan 0.000 0.503 191 A N 0.433 123.369 122.820 0.192 0.000 2.462 191 A HA 0.563 4.883 4.320 -0.000 0.000 0.243 191 A C 0.406 178.108 177.584 0.197 0.000 1.076 191 A CA 0.302 52.444 52.037 0.174 0.000 0.773 191 A CB 0.196 19.324 19.000 0.212 0.000 1.010 191 A HN 0.441 nan 8.150 nan 0.000 0.493 192 E N 1.211 121.482 120.200 0.118 0.000 2.129 192 E HA 0.359 4.709 4.350 -0.000 0.000 0.283 192 E C -0.976 175.658 176.600 0.057 0.000 1.080 192 E CA -0.142 56.314 56.400 0.093 0.000 0.867 192 E CB 0.876 30.608 29.700 0.052 0.000 1.056 192 E HN 0.379 nan 8.360 nan 0.000 0.404 193 V N 5.630 125.564 119.914 0.033 0.000 2.459 193 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 193 V C -0.052 176.026 176.094 -0.026 0.000 1.029 193 V CA -0.656 61.650 62.300 0.009 0.000 0.874 193 V CB 1.357 33.188 31.823 0.012 0.000 0.985 193 V HN 0.544 nan 8.190 nan 0.000 0.438 194 I N 4.530 125.096 120.570 -0.007 0.000 2.436 194 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 194 I C -0.699 175.420 176.117 0.003 0.000 1.010 194 I CA -0.793 60.503 61.300 -0.007 0.000 1.098 194 I CB 2.219 40.218 38.000 -0.000 0.000 1.266 194 I HN 0.273 nan 8.210 nan 0.000 0.434 195 V N 7.252 127.166 119.914 0.000 0.000 2.384 195 V HA 0.446 4.566 4.120 -0.000 0.000 0.287 195 V C -0.129 175.979 176.094 0.024 0.000 1.020 195 V CA -0.525 61.781 62.300 0.011 0.000 0.850 195 V CB 1.532 33.352 31.823 -0.006 0.000 0.987 195 V HN 0.454 nan 8.190 nan 0.000 0.436 196 L N 4.343 125.588 121.223 0.038 0.000 2.313 196 L HA 0.742 5.082 4.340 -0.000 0.000 0.283 196 L C -0.383 176.528 176.870 0.068 0.000 1.013 196 L CA -0.420 54.446 54.840 0.044 0.000 0.816 196 L CB 1.786 43.868 42.059 0.039 0.000 1.236 196 L HN 0.598 nan 8.230 nan 0.000 0.419 197 E N 1.277 121.519 120.200 0.071 0.000 2.272 197 E HA 0.154 4.504 4.350 -0.000 0.000 0.269 197 E C -0.308 176.366 176.600 0.124 0.000 0.877 197 E CA -0.563 55.896 56.400 0.099 0.000 0.755 197 E CB 1.351 31.095 29.700 0.073 0.000 1.192 197 E HN 0.380 nan 8.360 nan 0.000 0.422 198 Y N 4.763 125.080 120.300 0.028 0.000 2.163 198 Y HA 0.139 4.689 4.550 -0.000 0.000 0.288 198 Y C 0.671 176.582 175.900 0.019 0.000 1.136 198 Y CA 1.335 59.445 58.100 0.017 0.000 1.147 198 Y CB 0.097 38.575 38.460 0.031 0.000 0.987 198 Y HN 0.574 nan 8.280 nan 0.000 0.509 199 M N 1.122 120.679 119.600 -0.073 0.000 2.167 199 M HA 0.004 4.484 4.480 -0.000 0.000 0.300 199 M C 1.031 177.266 176.300 -0.110 0.000 1.171 199 M CA 0.660 55.867 55.300 -0.156 0.000 1.171 199 M CB 0.235 32.820 32.600 -0.024 0.000 1.396 199 M HN 0.296 nan 8.290 nan 0.000 0.466 200 D N 0.806 121.147 120.400 -0.099 0.000 2.325 200 D HA 0.035 4.675 4.640 -0.000 0.000 0.234 200 D C -0.349 175.940 176.300 -0.019 0.000 1.122 200 D CA 0.063 54.026 54.000 -0.062 0.000 0.850 200 D CB -0.092 40.669 40.800 -0.064 0.000 0.921 200 D HN 0.616 nan 8.370 nan 0.000 0.513 201 R N -0.601 119.898 120.500 -0.002 0.000 2.664 201 R HA 0.494 4.834 4.340 -0.000 0.000 0.266 201 R C -0.411 175.913 176.300 0.040 0.000 1.046 201 R CA -1.079 55.035 56.100 0.024 0.000 0.885 201 R CB 0.530 30.846 30.300 0.027 0.000 1.254 201 R HN 0.033 nan 8.270 nan 0.000 0.465 202 I N -0.844 119.761 120.570 0.057 0.000 2.934 202 I HA 0.427 4.597 4.170 -0.000 0.000 0.315 202 I C 0.148 176.308 176.117 0.072 0.000 0.997 202 I CA -1.231 60.110 61.300 0.068 0.000 1.184 202 I CB 0.763 38.814 38.000 0.085 0.000 1.400 202 I HN 0.729 nan 8.210 nan 0.000 0.549 203 L N 1.224 122.488 121.223 0.069 0.000 3.823 203 L HA -0.138 4.202 4.340 -0.000 0.000 0.525 203 L C -1.637 175.273 176.870 0.065 0.000 1.247 203 L CA -0.419 54.462 54.840 0.067 0.000 0.776 203 L CB -1.389 40.718 42.059 0.081 0.000 1.443 203 L HN 0.667 nan 8.230 nan 0.000 0.831 204 P HA -0.147 nan 4.420 nan 0.000 0.228 204 P C 1.383 178.721 177.300 0.063 0.000 1.151 204 P CA 1.739 64.875 63.100 0.059 0.000 0.770 204 P CB -0.006 31.728 31.700 0.058 0.000 0.786 205 T N -5.521 109.071 114.554 0.063 0.000 3.100 205 T HA 0.133 4.483 4.350 -0.000 0.000 0.253 205 T C 1.086 175.837 174.700 0.086 0.000 1.118 205 T CA -0.045 62.095 62.100 0.067 0.000 1.058 205 T CB -0.368 68.532 68.868 0.054 0.000 0.953 205 T HN -0.160 nan 8.240 nan 0.000 0.515 206 M N 2.385 122.039 119.600 0.090 0.000 2.197 206 M HA 0.322 4.802 4.480 -0.000 0.000 0.305 206 M C 0.461 176.852 176.300 0.152 0.000 1.162 206 M CA -0.735 54.639 55.300 0.124 0.000 1.099 206 M CB 0.325 32.984 32.600 0.099 0.000 1.430 206 M HN 0.251 nan 8.290 nan 0.000 0.481 207 D N 0.950 121.484 120.400 0.224 0.000 2.443 207 D HA -0.033 4.607 4.640 -0.000 0.000 0.239 207 D C 0.764 177.114 176.300 0.083 0.000 1.136 207 D CA -0.260 53.800 54.000 0.100 0.000 0.879 207 D CB 1.194 41.956 40.800 -0.063 0.000 1.195 207 D HN 0.407 nan 8.370 nan 0.000 0.443 208 L N 4.165 125.418 121.223 0.049 0.000 2.083 208 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 208 L C 2.229 179.141 176.870 0.069 0.000 1.083 208 L CA 1.746 56.618 54.840 0.053 0.000 0.752 208 L CB -0.767 41.312 42.059 0.034 0.000 0.899 208 L HN 0.648 nan 8.230 nan 0.000 0.433 209 E N -1.141 119.106 120.200 0.079 0.000 2.118 209 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 209 E C 2.065 178.798 176.600 0.222 0.000 0.992 209 E CA 1.618 58.090 56.400 0.121 0.000 0.804 209 E CB 0.040 29.803 29.700 0.104 0.000 0.741 209 E HN 0.395 nan 8.360 nan 0.000 0.458 210 V N 0.246 120.293 119.914 0.223 0.000 2.379 210 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 210 V C 2.361 178.507 176.094 0.087 0.000 1.044 210 V CA 1.713 64.106 62.300 0.155 0.000 1.036 210 V CB -0.338 31.547 31.823 0.103 0.000 0.664 210 V HN 0.236 nan 8.190 nan 0.000 0.453 211 S N -0.439 115.315 115.700 0.090 0.000 2.370 211 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 211 S C 2.116 176.759 174.600 0.071 0.000 1.033 211 S CA 1.575 59.823 58.200 0.079 0.000 1.011 211 S CB -0.299 62.945 63.200 0.073 0.000 0.852 211 S HN 0.511 nan 8.310 nan 0.000 0.457 212 R N 0.859 121.401 120.500 0.070 0.000 2.075 212 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 212 R C 2.616 178.943 176.300 0.046 0.000 1.126 212 R CA 1.232 57.365 56.100 0.055 0.000 0.963 212 R CB -0.547 29.782 30.300 0.049 0.000 0.858 212 R HN 0.414 nan 8.270 nan 0.000 0.435 213 A N 1.393 124.253 122.820 0.066 0.000 1.902 213 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 213 A C 2.394 179.932 177.584 -0.076 0.000 1.181 213 A CA 1.671 53.730 52.037 0.036 0.000 0.623 213 A CB -0.568 18.514 19.000 0.136 0.000 0.818 213 A HN 0.389 nan 8.150 nan 0.000 0.443 214 A N -0.269 122.505 122.820 -0.077 0.000 1.883 214 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 214 A C 2.036 179.560 177.584 -0.100 0.000 1.186 214 A CA 1.931 53.863 52.037 -0.175 0.000 0.624 214 A CB -0.622 18.413 19.000 0.059 0.000 0.822 214 A HN 0.680 nan 8.150 nan 0.000 0.444 215 E N -0.458 119.778 120.200 0.060 0.000 2.085 215 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 215 E C 2.287 178.914 176.600 0.046 0.000 0.994 215 E CA 1.356 57.823 56.400 0.111 0.000 0.801 215 E CB -0.161 29.589 29.700 0.083 0.000 0.743 215 E HN 0.592 nan 8.360 nan 0.000 0.453 216 R N 0.026 120.520 120.500 -0.011 0.000 2.096 216 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 216 R C 2.209 178.471 176.300 -0.063 0.000 1.127 216 R CA 1.416 57.502 56.100 -0.022 0.000 0.968 216 R CB -0.079 30.208 30.300 -0.022 0.000 0.861 216 R HN 0.131 nan 8.270 nan 0.000 0.440 217 V N 0.380 120.182 119.914 -0.186 0.000 2.379 217 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 217 V C 1.935 177.909 176.094 -0.200 0.000 1.044 217 V CA 1.741 63.877 62.300 -0.275 0.000 1.036 217 V CB -0.475 31.037 31.823 -0.518 0.000 0.664 217 V HN 0.283 nan 8.190 nan 0.000 0.453 218 F N 0.046 120.007 119.950 0.017 0.000 2.259 218 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 218 F C 2.418 178.217 175.800 -0.002 0.000 1.088 218 F CA 1.063 59.070 58.000 0.012 0.000 1.358 218 F CB -0.251 38.746 39.000 -0.005 0.000 1.040 218 F HN 0.005 nan 8.300 nan 0.000 0.505 219 K N 0.694 121.185 120.400 0.153 0.000 2.057 219 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 219 K C 2.043 178.689 176.600 0.078 0.000 1.049 219 K CA 1.461 57.799 56.287 0.085 0.000 0.931 219 K CB -0.216 32.319 32.500 0.058 0.000 0.714 219 K HN 0.134 nan 8.250 nan 0.000 0.440 220 K N 1.318 121.759 120.400 0.069 0.000 2.148 220 K HA -0.167 4.152 4.320 -0.000 0.000 0.204 220 K C 1.914 178.591 176.600 0.128 0.000 1.050 220 K CA 1.285 57.616 56.287 0.073 0.000 0.942 220 K CB 0.147 32.671 32.500 0.039 0.000 0.724 220 K HN 0.152 nan 8.250 nan 0.000 0.446 221 Q N -1.216 118.694 119.800 0.183 0.000 2.230 221 Q HA -0.015 4.325 4.340 -0.000 0.000 0.202 221 Q C 0.906 177.138 176.000 0.387 0.000 0.963 221 Q CA 1.102 57.097 55.803 0.321 0.000 0.866 221 Q CB 0.402 29.382 28.738 0.404 0.000 0.931 221 Q HN 0.643 nan 8.270 nan 0.000 0.452 222 G N -0.478 108.430 108.800 0.181 0.000 2.273 222 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.162 222 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.162 222 G C -0.418 174.368 174.900 -0.189 0.000 1.006 222 G CA -0.654 44.501 45.100 0.091 0.000 0.704 222 G HN 0.052 nan 8.290 nan 0.000 0.487 223 L N 2.288 123.339 121.223 -0.288 0.000 2.426 223 L HA 0.512 4.852 4.340 -0.000 0.000 0.271 223 L C 0.925 177.748 176.870 -0.078 0.000 1.169 223 L CA 0.453 55.138 54.840 -0.258 0.000 0.836 223 L CB 1.046 42.991 42.059 -0.190 0.000 1.112 223 L HN 0.082 nan 8.230 nan 0.000 0.465 224 T N 4.634 119.152 114.554 -0.060 0.000 2.749 224 T HA 0.560 4.909 4.350 -0.000 0.000 0.295 224 T C 0.009 174.706 174.700 -0.005 0.000 0.936 224 T CA -0.013 62.078 62.100 -0.015 0.000 1.060 224 T CB 0.044 68.907 68.868 -0.009 0.000 0.904 224 T HN 0.253 nan 8.240 nan 0.000 0.500 225 I N 4.020 124.600 120.570 0.016 0.000 2.418 225 I HA 0.425 4.595 4.170 -0.000 0.000 0.287 225 I C 0.165 176.297 176.117 0.025 0.000 1.008 225 I CA -0.746 60.570 61.300 0.026 0.000 1.104 225 I CB 1.557 39.590 38.000 0.054 0.000 1.264 225 I HN 0.331 nan 8.210 nan 0.000 0.438 226 R N 4.216 124.729 120.500 0.022 0.000 2.388 226 R HA 0.435 4.775 4.340 -0.000 0.000 0.314 226 R C -0.314 175.999 176.300 0.021 0.000 0.959 226 R CA -0.601 55.510 56.100 0.018 0.000 0.851 226 R CB 1.922 32.229 30.300 0.013 0.000 1.168 226 R HN 0.671 nan 8.270 nan 0.000 0.472 227 T N -1.605 112.959 114.554 0.016 0.000 2.881 227 T HA 0.489 4.839 4.350 -0.000 0.000 0.278 227 T C 1.098 175.792 174.700 -0.010 0.000 0.982 227 T CA 0.046 62.151 62.100 0.008 0.000 0.989 227 T CB 1.675 70.546 68.868 0.004 0.000 1.058 227 T HN 0.731 nan 8.240 nan 0.000 0.529 228 G N -0.301 108.475 108.800 -0.039 0.000 2.176 228 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.252 228 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.252 228 G C 0.049 174.936 174.900 -0.021 0.000 1.024 228 G CA 0.152 45.208 45.100 -0.074 0.000 0.755 228 G HN 1.948 nan 8.290 nan 0.000 0.507 229 V N -3.016 116.918 119.914 0.033 0.000 2.540 229 V HA 0.860 4.980 4.120 -0.000 0.000 0.302 229 V C 0.005 176.179 176.094 0.133 0.000 1.035 229 V CA -1.426 60.909 62.300 0.059 0.000 0.873 229 V CB 1.819 33.656 31.823 0.024 0.000 0.992 229 V HN 0.464 nan 8.190 nan 0.000 0.428 230 R N 3.839 124.404 120.500 0.108 0.000 2.215 230 R HA 0.663 5.003 4.340 -0.000 0.000 0.336 230 R C -0.962 175.226 176.300 -0.187 0.000 0.996 230 R CA -0.493 55.613 56.100 0.011 0.000 0.847 230 R CB 1.538 31.831 30.300 -0.011 0.000 1.127 230 R HN 0.805 nan 8.270 nan 0.000 0.465 231 V N 4.593 124.323 119.914 -0.307 0.000 2.572 231 V HA 0.033 4.153 4.120 -0.000 0.000 0.291 231 V C 1.313 176.854 176.094 -0.921 0.000 1.039 231 V CA 0.417 62.426 62.300 -0.485 0.000 1.055 231 V CB 1.299 32.862 31.823 -0.432 0.000 0.969 231 V HN 1.033 nan 8.190 nan 0.000 0.482 232 T N 0.917 115.073 114.554 -0.663 0.000 2.990 232 T HA 0.583 4.932 4.350 -0.000 0.000 0.249 232 T C 0.370 174.803 174.700 -0.445 0.000 1.039 232 T CA 0.477 62.185 62.100 -0.654 0.000 1.036 232 T CB 0.537 69.214 68.868 -0.318 0.000 0.994 232 T HN 1.013 nan 8.240 nan 0.000 0.489 233 A N 0.478 123.153 122.820 -0.243 0.000 2.589 233 A HA 0.683 5.003 4.320 -0.000 0.000 0.296 233 A C -1.640 176.019 177.584 0.125 0.000 1.062 233 A CA -0.724 51.354 52.037 0.068 0.000 0.686 233 A CB 1.760 20.786 19.000 0.044 0.000 1.282 233 A HN 0.283 nan 8.150 nan 0.000 0.404 234 V N 1.557 121.616 119.914 0.241 0.000 2.525 234 V HA 0.635 4.755 4.120 -0.000 0.000 0.299 234 V C -0.732 175.416 176.094 0.090 0.000 1.034 234 V CA -0.546 61.845 62.300 0.152 0.000 0.863 234 V CB 1.508 33.447 31.823 0.194 0.000 0.999 234 V HN 0.822 nan 8.190 nan 0.000 0.423 235 V N 6.208 126.150 119.914 0.046 0.000 2.577 235 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 235 V C -2.535 173.562 176.094 0.005 0.000 1.042 235 V CA -2.151 60.163 62.300 0.023 0.000 0.872 235 V CB 2.431 34.267 31.823 0.022 0.000 0.998 235 V HN 0.675 nan 8.190 nan 0.000 0.423 236 P HA 0.275 nan 4.420 nan 0.000 0.268 236 P C -0.388 176.906 177.300 -0.009 0.000 1.205 236 P CA 0.175 63.268 63.100 -0.012 0.000 0.771 236 P CB 0.877 32.568 31.700 -0.016 0.000 0.858 237 E N 0.761 120.953 120.200 -0.014 0.000 2.450 237 E HA 0.527 4.877 4.350 -0.000 0.000 0.248 237 E C 1.202 177.793 176.600 -0.015 0.000 0.930 237 E CA -1.002 55.390 56.400 -0.013 0.000 0.854 237 E CB 0.850 30.541 29.700 -0.015 0.000 1.355 237 E HN 0.249 nan 8.360 nan 0.000 0.402 238 A N 0.662 123.474 122.820 -0.014 0.000 1.877 238 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 238 A C 1.166 178.739 177.584 -0.020 0.000 1.186 238 A CA 1.601 53.629 52.037 -0.014 0.000 0.620 238 A CB -0.119 18.874 19.000 -0.011 0.000 0.822 238 A HN 0.369 nan 8.150 nan 0.000 0.443 239 K N -1.311 119.074 120.400 -0.026 0.000 2.792 239 K HA 0.424 4.744 4.320 -0.000 0.000 0.207 239 K C 0.195 176.765 176.600 -0.050 0.000 1.103 239 K CA 0.376 56.642 56.287 -0.036 0.000 1.048 239 K CB 0.861 33.342 32.500 -0.032 0.000 0.777 239 K HN 0.495 nan 8.250 nan 0.000 0.468 240 G N 0.519 109.290 108.800 -0.048 0.000 2.435 240 G HA2 0.615 4.575 3.960 -0.000 0.000 0.228 240 G HA3 0.615 4.575 3.960 -0.000 0.000 0.228 240 G C -1.806 173.067 174.900 -0.046 0.000 1.198 240 G CA -0.108 44.957 45.100 -0.058 0.000 0.948 240 G HN 0.184 nan 8.290 nan 0.000 0.487 241 A N -0.677 122.119 122.820 -0.040 0.000 2.599 241 A HA 0.825 5.145 4.320 -0.000 0.000 0.294 241 A C -0.691 176.882 177.584 -0.018 0.000 1.055 241 A CA -0.021 52.001 52.037 -0.025 0.000 0.683 241 A CB 1.336 20.321 19.000 -0.025 0.000 1.278 241 A HN 1.593 nan 8.150 nan 0.000 0.412 242 R N 0.231 120.727 120.500 -0.007 0.000 2.778 242 R HA 0.849 5.189 4.340 -0.000 0.000 0.277 242 R C -1.535 174.769 176.300 0.007 0.000 0.977 242 R CA -0.767 55.330 56.100 -0.004 0.000 0.950 242 R CB 1.855 32.151 30.300 -0.006 0.000 1.165 242 R HN 0.374 nan 8.270 nan 0.000 0.474 243 V N 2.191 122.106 119.914 0.001 0.000 2.407 243 V HA 0.269 4.389 4.120 -0.000 0.000 0.291 243 V C -0.416 175.663 176.094 -0.024 0.000 1.018 243 V CA -0.770 61.531 62.300 0.002 0.000 0.842 243 V CB 1.379 33.206 31.823 0.007 0.000 0.996 243 V HN 0.800 nan 8.190 nan 0.000 0.426 244 E N 4.906 125.080 120.200 -0.043 0.000 2.216 244 E HA 0.637 4.987 4.350 -0.000 0.000 0.279 244 E C -1.023 175.511 176.600 -0.111 0.000 0.997 244 E CA -0.527 55.835 56.400 -0.064 0.000 0.817 244 E CB 1.987 31.652 29.700 -0.058 0.000 1.096 244 E HN 0.503 nan 8.360 nan 0.000 0.393 245 L N 1.432 122.600 121.223 -0.092 0.000 2.334 245 L HA 0.358 4.698 4.340 -0.000 0.000 0.270 245 L C 0.479 177.290 176.870 -0.098 0.000 1.018 245 L CA -0.930 53.847 54.840 -0.106 0.000 0.811 245 L CB 1.195 43.216 42.059 -0.064 0.000 1.271 245 L HN 0.561 nan 8.230 nan 0.000 0.443 246 E N 0.631 120.769 120.200 -0.103 0.000 2.415 246 E HA 0.186 4.536 4.350 -0.000 0.000 0.263 246 E C 0.807 177.379 176.600 -0.047 0.000 0.995 246 E CA 0.984 57.337 56.400 -0.078 0.000 0.915 246 E CB 0.407 30.068 29.700 -0.065 0.000 0.951 246 E HN 0.794 nan 8.360 nan 0.000 0.449 247 G N 2.779 111.555 108.800 -0.040 0.000 2.195 247 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.224 247 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.224 247 G C 0.805 175.689 174.900 -0.026 0.000 0.990 247 G CA 0.113 45.196 45.100 -0.027 0.000 0.639 247 G HN 1.463 nan 8.290 nan 0.000 0.514 248 G N -0.436 108.344 108.800 -0.033 0.000 2.231 248 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.206 248 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.206 248 G C 0.091 174.975 174.900 -0.027 0.000 0.996 248 G CA 1.064 46.147 45.100 -0.028 0.000 0.645 248 G HN 1.389 nan 8.290 nan 0.000 0.498 249 E N 0.668 120.852 120.200 -0.027 0.000 2.414 249 E HA 0.413 4.763 4.350 -0.000 0.000 0.263 249 E C -0.310 176.273 176.600 -0.027 0.000 1.000 249 E CA -0.044 56.342 56.400 -0.024 0.000 0.914 249 E CB 0.727 30.414 29.700 -0.022 0.000 0.948 249 E HN 0.185 nan 8.360 nan 0.000 0.444 250 V N 6.499 126.401 119.914 -0.021 0.000 2.444 250 V HA 0.314 4.434 4.120 -0.000 0.000 0.294 250 V C -0.101 175.984 176.094 -0.016 0.000 1.022 250 V CA -0.702 61.586 62.300 -0.020 0.000 0.850 250 V CB 1.319 33.132 31.823 -0.017 0.000 0.992 250 V HN 0.621 nan 8.190 nan 0.000 0.426 251 L N 4.186 125.400 121.223 -0.016 0.000 2.344 251 L HA 0.683 5.023 4.340 -0.000 0.000 0.272 251 L C 0.002 176.864 176.870 -0.013 0.000 1.035 251 L CA -0.527 54.305 54.840 -0.013 0.000 0.807 251 L CB 1.763 43.816 42.059 -0.011 0.000 1.237 251 L HN 0.604 nan 8.230 nan 0.000 0.442 252 E N 1.220 121.411 120.200 -0.015 0.000 2.288 252 E HA 0.810 5.160 4.350 -0.000 0.000 0.268 252 E C -1.174 175.410 176.600 -0.027 0.000 0.885 252 E CA -0.784 55.604 56.400 -0.020 0.000 0.767 252 E CB 2.749 32.437 29.700 -0.020 0.000 1.220 252 E HN 0.662 nan 8.360 nan 0.000 0.427 253 A N 1.638 124.435 122.820 -0.038 0.000 2.610 253 A HA 0.295 4.615 4.320 -0.000 0.000 0.291 253 A C -0.291 177.243 177.584 -0.084 0.000 1.086 253 A CA -0.639 51.364 52.037 -0.058 0.000 0.677 253 A CB 1.246 20.213 19.000 -0.055 0.000 1.278 253 A HN 0.666 nan 8.150 nan 0.000 0.414 254 D N 0.134 120.461 120.400 -0.123 0.000 2.149 254 D HA -0.001 4.639 4.640 -0.000 0.000 0.201 254 D C 0.051 176.219 176.300 -0.220 0.000 0.972 254 D CA 1.072 54.973 54.000 -0.165 0.000 0.835 254 D CB 0.254 40.934 40.800 -0.200 0.000 0.966 254 D HN 0.328 nan 8.370 nan 0.000 0.476 255 R N 0.187 120.529 120.500 -0.264 0.000 2.725 255 R HA 0.554 4.894 4.340 -0.000 0.000 0.277 255 R C -0.938 175.291 176.300 -0.119 0.000 0.987 255 R CA -0.750 55.190 56.100 -0.267 0.000 0.901 255 R CB 2.474 32.384 30.300 -0.650 0.000 1.207 255 R HN -0.213 nan 8.270 nan 0.000 0.463 256 V N 2.916 122.813 119.914 -0.027 0.000 2.531 256 V HA 0.332 4.452 4.120 -0.000 0.000 0.301 256 V C -0.716 175.424 176.094 0.077 0.000 1.034 256 V CA -0.940 61.375 62.300 0.024 0.000 0.865 256 V CB 2.010 33.846 31.823 0.022 0.000 0.995 256 V HN 0.527 nan 8.190 nan 0.000 0.424 257 L N 6.945 128.230 121.223 0.103 0.000 2.257 257 L HA 0.589 4.929 4.340 -0.000 0.000 0.290 257 L C -0.290 176.624 176.870 0.073 0.000 1.044 257 L CA 0.187 55.091 54.840 0.106 0.000 0.810 257 L CB 1.478 43.618 42.059 0.134 0.000 1.193 257 L HN 0.442 nan 8.230 nan 0.000 0.425 258 V N 6.068 126.008 119.914 0.043 0.000 2.339 258 V HA 0.599 4.719 4.120 -0.000 0.000 0.261 258 V C 0.690 176.799 176.094 0.025 0.000 1.058 258 V CA 0.163 62.482 62.300 0.032 0.000 0.897 258 V CB 0.481 32.286 31.823 -0.030 0.000 1.052 258 V HN 0.940 nan 8.190 nan 0.000 0.480 259 A N 4.393 127.242 122.820 0.048 0.000 3.297 259 A HA 0.511 4.831 4.320 -0.000 0.000 0.304 259 A C 0.586 178.202 177.584 0.054 0.000 0.963 259 A CA -0.064 51.999 52.037 0.043 0.000 0.935 259 A CB 0.769 19.797 19.000 0.047 0.000 1.093 259 A HN 0.984 nan 8.150 nan 0.000 0.480 260 V N -2.407 117.536 119.914 0.049 0.000 3.649 260 V HA 0.618 4.737 4.120 -0.000 0.000 0.275 260 V C 0.735 176.861 176.094 0.054 0.000 1.281 260 V CA 0.506 62.850 62.300 0.072 0.000 1.143 260 V CB -0.875 31.005 31.823 0.095 0.000 0.892 260 V HN 1.601 nan 8.190 nan 0.000 0.441 261 G N 0.111 108.933 108.800 0.037 0.000 2.369 261 G HA2 0.296 4.256 3.960 -0.000 0.000 0.307 261 G HA3 0.296 4.256 3.960 -0.000 0.000 0.307 261 G C -1.221 173.693 174.900 0.025 0.000 1.327 261 G CA -1.002 44.119 45.100 0.034 0.000 0.963 261 G HN 0.372 nan 8.290 nan 0.000 0.590 262 R N -0.385 120.133 120.500 0.029 0.000 2.744 262 R HA 0.696 5.036 4.340 -0.000 0.000 0.279 262 R C -0.023 176.300 176.300 0.037 0.000 0.977 262 R CA -1.044 55.075 56.100 0.031 0.000 0.906 262 R CB 2.376 32.694 30.300 0.031 0.000 1.197 262 R HN 0.798 nan 8.270 nan 0.000 0.463 263 R N 1.210 121.740 120.500 0.049 0.000 2.562 263 R HA 0.502 4.842 4.340 -0.000 0.000 0.298 263 R C -2.817 173.534 176.300 0.086 0.000 0.961 263 R CA -2.296 53.837 56.100 0.056 0.000 0.881 263 R CB 1.521 31.851 30.300 0.050 0.000 1.159 263 R HN 0.211 nan 8.270 nan 0.000 0.450 264 P HA -0.126 nan 4.420 nan 0.000 0.264 264 P C -1.490 175.886 177.300 0.127 0.000 1.183 264 P CA 0.310 63.464 63.100 0.089 0.000 0.763 264 P CB 0.062 31.793 31.700 0.052 0.000 0.807 265 Y N 2.828 123.141 120.300 0.022 0.000 2.334 265 Y HA 0.408 4.958 4.550 -0.000 0.000 0.336 265 Y C 0.611 176.530 175.900 0.033 0.000 0.960 265 Y CA -0.055 58.058 58.100 0.023 0.000 1.164 265 Y CB 1.139 39.611 38.460 0.020 0.000 1.155 265 Y HN 0.405 nan 8.280 nan 0.000 0.478 266 T N 0.428 114.734 114.554 -0.414 0.000 3.399 266 T HA 0.284 4.634 4.350 -0.000 0.000 0.305 266 T C -0.298 174.155 174.700 -0.411 0.000 0.983 266 T CA -0.487 61.442 62.100 -0.284 0.000 0.967 266 T CB -0.332 68.478 68.868 -0.096 0.000 1.186 266 T HN 0.621 nan 8.240 nan 0.000 0.504 267 E N 1.202 120.889 120.200 -0.855 0.000 2.376 267 E HA 0.430 4.780 4.350 -0.000 0.000 0.266 267 E C 1.215 177.666 176.600 -0.248 0.000 1.009 267 E CA 0.618 56.717 56.400 -0.501 0.000 0.902 267 E CB 0.430 29.832 29.700 -0.498 0.000 0.972 267 E HN 0.552 nan 8.360 nan 0.000 0.439 268 G N 2.595 111.334 108.800 -0.102 0.000 2.179 268 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 268 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 268 G C 0.582 175.479 174.900 -0.005 0.000 0.977 268 G CA 0.367 45.451 45.100 -0.026 0.000 0.641 268 G HN 0.496 nan 8.290 nan 0.000 0.533 269 L N 1.209 122.430 121.223 -0.004 0.000 2.446 269 L HA 0.486 4.826 4.340 -0.000 0.000 0.219 269 L C 1.583 178.550 176.870 0.161 0.000 1.116 269 L CA 1.716 56.592 54.840 0.061 0.000 0.844 269 L CB -0.148 41.965 42.059 0.091 0.000 0.970 269 L HN 0.677 nan 8.230 nan 0.000 0.457 270 S N -0.187 115.575 115.700 0.103 0.000 3.524 270 S HA -0.230 4.240 4.470 -0.000 0.000 0.377 270 S C 1.359 176.058 174.600 0.165 0.000 0.949 270 S CA 0.675 58.941 58.200 0.110 0.000 1.264 270 S CB -1.833 61.430 63.200 0.105 0.000 0.918 270 S HN 0.476 nan 8.310 nan 0.000 0.517 271 L N 0.954 122.244 121.223 0.112 0.000 2.129 271 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 271 L C 2.831 179.631 176.870 -0.116 0.000 1.087 271 L CA 2.035 56.870 54.840 -0.008 0.000 0.757 271 L CB -0.332 41.712 42.059 -0.025 0.000 0.896 271 L HN 0.699 nan 8.230 nan 0.000 0.434 272 E N -0.139 120.031 120.200 -0.049 0.000 2.160 272 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 272 E C 1.378 177.942 176.600 -0.060 0.000 0.991 272 E CA 1.484 57.850 56.400 -0.056 0.000 0.810 272 E CB -0.625 29.058 29.700 -0.027 0.000 0.742 272 E HN 0.498 nan 8.360 nan 0.000 0.466 273 N N 1.458 120.143 118.700 -0.025 0.000 2.381 273 N HA -0.029 4.711 4.740 -0.000 0.000 0.182 273 N C 1.430 176.900 175.510 -0.066 0.000 1.025 273 N CA 1.404 54.454 53.050 0.000 0.000 0.888 273 N CB -0.189 38.351 38.487 0.088 0.000 0.965 273 N HN 0.397 nan 8.380 nan 0.000 0.438 274 A N -0.272 122.393 122.820 -0.258 0.000 2.251 274 A HA 0.439 4.759 4.320 -0.000 0.000 0.209 274 A C 1.362 178.783 177.584 -0.273 0.000 1.187 274 A CA 0.527 52.306 52.037 -0.429 0.000 0.823 274 A CB -0.353 17.942 19.000 -1.175 0.000 0.846 274 A HN 0.246 nan 8.150 nan 0.000 0.486 275 G N -0.982 107.711 108.800 -0.179 0.000 2.160 275 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 275 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 275 G C -0.118 174.698 174.900 -0.140 0.000 1.022 275 G CA 0.532 45.556 45.100 -0.126 0.000 0.741 275 G HN 0.477 nan 8.290 nan 0.000 0.508 276 L N 0.033 121.154 121.223 -0.171 0.000 2.323 276 L HA 0.871 5.211 4.340 -0.000 0.000 0.265 276 L C 0.513 177.321 176.870 -0.103 0.000 1.012 276 L CA -0.456 54.292 54.840 -0.152 0.000 0.820 276 L CB 2.364 44.295 42.059 -0.213 0.000 1.334 276 L HN 0.456 nan 8.230 nan 0.000 0.427 277 S N -1.241 114.413 115.700 -0.077 0.000 2.651 277 S HA 0.747 5.217 4.470 -0.000 0.000 0.279 277 S C -0.700 173.875 174.600 -0.042 0.000 1.148 277 S CA -0.736 57.433 58.200 -0.053 0.000 0.837 277 S CB 1.915 65.089 63.200 -0.044 0.000 1.138 277 S HN 0.629 nan 8.310 nan 0.000 0.478 278 T N -0.606 113.929 114.554 -0.032 0.000 2.895 278 T HA 0.647 4.996 4.350 -0.000 0.000 0.283 278 T C -0.301 174.387 174.700 -0.020 0.000 1.014 278 T CA -0.661 61.425 62.100 -0.023 0.000 1.037 278 T CB 0.818 69.674 68.868 -0.021 0.000 1.006 278 T HN 0.770 nan 8.240 nan 0.000 0.468 279 D N 1.300 121.690 120.400 -0.016 0.000 2.376 279 D HA 0.138 4.778 4.640 -0.000 0.000 0.268 279 D C 0.967 177.262 176.300 -0.009 0.000 1.252 279 D CA -0.510 53.482 54.000 -0.013 0.000 1.041 279 D CB 0.194 40.987 40.800 -0.012 0.000 1.109 279 D HN 0.548 nan 8.370 nan 0.000 0.552 280 E N -1.394 118.802 120.200 -0.006 0.000 2.204 280 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 280 E C 1.821 178.421 176.600 -0.000 0.000 0.989 280 E CA 0.852 57.250 56.400 -0.003 0.000 0.824 280 E CB -0.044 29.656 29.700 0.000 0.000 0.756 280 E HN 0.298 nan 8.360 nan 0.000 0.477 281 R N -0.668 119.833 120.500 0.002 0.000 2.310 281 R HA 0.150 4.490 4.340 -0.000 0.000 0.202 281 R C 0.843 177.147 176.300 0.006 0.000 0.933 281 R CA 0.654 56.758 56.100 0.006 0.000 1.054 281 R CB 0.533 30.838 30.300 0.009 0.000 0.985 281 R HN 0.297 nan 8.270 nan 0.000 0.489 282 G N 1.737 110.537 108.800 -0.000 0.000 2.176 282 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 282 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 282 G C 0.095 174.997 174.900 0.002 0.000 0.979 282 G CA -0.135 44.963 45.100 -0.002 0.000 0.641 282 G HN 0.276 nan 8.290 nan 0.000 0.530 283 R N -0.235 120.268 120.500 0.004 0.000 2.582 283 R HA 0.568 4.907 4.340 -0.000 0.000 0.271 283 R C 0.582 176.882 176.300 0.000 0.000 1.078 283 R CA -0.297 55.808 56.100 0.007 0.000 1.127 283 R CB 0.720 31.021 30.300 0.003 0.000 1.038 283 R HN 0.291 nan 8.270 nan 0.000 0.500 284 I N 3.906 124.480 120.570 0.006 0.000 2.301 284 I HA 0.185 4.354 4.170 -0.000 0.000 0.292 284 I C -1.980 174.131 176.117 -0.009 0.000 1.046 284 I CA -2.297 59.001 61.300 -0.003 0.000 1.282 284 I CB 1.110 39.116 38.000 0.011 0.000 1.409 284 I HN 0.229 nan 8.210 nan 0.000 0.484 285 P HA 0.093 nan 4.420 nan 0.000 0.268 285 P C -0.714 176.568 177.300 -0.031 0.000 1.204 285 P CA -0.028 63.056 63.100 -0.026 0.000 0.768 285 P CB 0.732 32.414 31.700 -0.030 0.000 0.842 286 V N -0.428 119.470 119.914 -0.028 0.000 3.078 286 V HA 0.681 4.801 4.120 -0.000 0.000 0.311 286 V C -0.426 175.651 176.094 -0.028 0.000 1.138 286 V CA -1.153 61.128 62.300 -0.031 0.000 1.007 286 V CB 2.127 33.945 31.823 -0.009 0.000 1.045 286 V HN 0.476 nan 8.190 nan 0.000 0.432 287 D N 0.554 120.937 120.400 -0.028 0.000 2.507 287 D HA 0.326 4.965 4.640 -0.000 0.000 0.280 287 D C 0.666 176.971 176.300 0.008 0.000 1.219 287 D CA -0.298 53.700 54.000 -0.003 0.000 1.085 287 D CB 0.545 41.352 40.800 0.012 0.000 1.134 287 D HN 0.461 nan 8.370 nan 0.000 0.583 288 E N -1.639 118.576 120.200 0.024 0.000 2.478 288 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 288 E C 0.735 177.217 176.600 -0.197 0.000 1.046 288 E CA 0.645 57.011 56.400 -0.056 0.000 0.870 288 E CB -0.203 29.455 29.700 -0.071 0.000 0.818 288 E HN 0.445 nan 8.360 nan 0.000 0.527 289 H N -0.596 118.414 119.070 -0.100 0.000 2.520 289 H HA 0.220 4.776 4.556 -0.000 0.000 0.284 289 H C 0.523 175.821 175.328 -0.051 0.000 1.037 289 H CA 0.141 56.073 56.048 -0.194 0.000 1.168 289 H CB 0.721 30.084 29.762 -0.665 0.000 1.497 289 H HN -0.005 nan 8.280 nan 0.000 0.547 290 L N 0.123 121.388 121.223 0.070 0.000 4.560 290 L HA -0.255 4.085 4.340 -0.000 0.000 0.415 290 L C 0.136 177.007 176.870 0.001 0.000 1.123 290 L CA 0.561 55.464 54.840 0.106 0.000 0.991 290 L CB -1.389 40.796 42.059 0.211 0.000 2.127 290 L HN 0.221 nan 8.230 nan 0.000 0.765 291 R N 1.015 121.374 120.500 -0.234 0.000 2.438 291 R HA 0.400 4.740 4.340 -0.000 0.000 0.287 291 R C 1.127 177.290 176.300 -0.227 0.000 1.077 291 R CA 0.458 56.264 56.100 -0.490 0.000 1.034 291 R CB 0.853 30.855 30.300 -0.496 0.000 0.993 291 R HN 0.253 nan 8.270 nan 0.000 0.459 292 T N -0.790 113.640 114.554 -0.206 0.000 2.689 292 T HA 0.021 4.370 4.350 -0.000 0.000 0.308 292 T C 1.324 175.941 174.700 -0.139 0.000 1.021 292 T CA -0.491 61.528 62.100 -0.135 0.000 0.973 292 T CB 0.584 69.377 68.868 -0.126 0.000 1.113 292 T HN 0.773 nan 8.240 nan 0.000 0.522 293 R N -0.463 119.970 120.500 -0.112 0.000 2.237 293 R HA 0.102 4.441 4.340 -0.000 0.000 0.219 293 R C 0.034 176.271 176.300 -0.104 0.000 1.080 293 R CA 0.373 56.418 56.100 -0.093 0.000 0.995 293 R CB -0.553 29.704 30.300 -0.072 0.000 0.875 293 R HN 0.382 nan 8.270 nan 0.000 0.462 294 V N 4.039 123.863 119.914 -0.149 0.000 2.334 294 V HA 0.157 4.277 4.120 -0.000 0.000 0.267 294 V C -1.493 174.470 176.094 -0.218 0.000 1.040 294 V CA -1.674 60.518 62.300 -0.180 0.000 0.866 294 V CB 1.457 33.122 31.823 -0.263 0.000 1.019 294 V HN 0.132 nan 8.190 nan 0.000 0.468 295 P HA -0.155 nan 4.420 nan 0.000 0.225 295 P C 1.041 178.340 177.300 -0.001 0.000 1.148 295 P CA 1.267 64.319 63.100 -0.079 0.000 0.779 295 P CB 0.023 31.730 31.700 0.013 0.000 0.780 296 H N -1.445 117.681 119.070 0.094 0.000 2.539 296 H HA 0.256 4.812 4.556 -0.000 0.000 0.269 296 H C 0.384 175.936 175.328 0.373 0.000 0.980 296 H CA -0.265 55.956 56.048 0.289 0.000 1.152 296 H CB -0.286 29.539 29.762 0.104 0.000 1.407 296 H HN 0.125 nan 8.280 nan 0.000 0.564 297 I N 1.856 122.323 120.570 -0.172 0.000 2.354 297 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 297 I C -0.948 175.194 176.117 0.042 0.000 0.989 297 I CA -0.910 60.397 61.300 0.012 0.000 1.188 297 I CB 1.090 38.987 38.000 -0.171 0.000 1.342 297 I HN -0.079 nan 8.210 nan 0.000 0.457 298 Y N 4.125 124.473 120.300 0.081 0.000 2.528 298 Y HA 0.800 5.350 4.550 -0.000 0.000 0.335 298 Y C 0.244 176.185 175.900 0.069 0.000 1.093 298 Y CA -0.913 57.230 58.100 0.072 0.000 1.134 298 Y CB 2.033 40.543 38.460 0.083 0.000 1.253 298 Y HN 0.576 nan 8.280 nan 0.000 0.478 299 A N 2.451 125.394 122.820 0.204 0.000 2.486 299 A HA 0.893 5.213 4.320 -0.000 0.000 0.300 299 A C -1.250 176.409 177.584 0.124 0.000 1.048 299 A CA -0.593 51.529 52.037 0.142 0.000 0.696 299 A CB 1.217 20.272 19.000 0.092 0.000 1.278 299 A HN 0.768 nan 8.150 nan 0.000 0.405 300 I N -1.659 118.973 120.570 0.102 0.000 3.279 300 I HA 0.915 5.085 4.170 -0.000 0.000 0.315 300 I C 0.500 176.655 176.117 0.064 0.000 1.225 300 I CA -0.335 61.015 61.300 0.083 0.000 0.947 300 I CB 1.749 39.792 38.000 0.072 0.000 1.293 300 I HN 2.069 nan 8.210 nan 0.000 0.468 301 G N 2.248 111.078 108.800 0.051 0.000 2.539 301 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.256 301 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.256 301 G C 0.044 174.967 174.900 0.038 0.000 1.233 301 G CA 0.745 45.866 45.100 0.035 0.000 0.936 301 G HN 0.869 nan 8.290 nan 0.000 0.571 302 D N -0.537 119.885 120.400 0.037 0.000 2.263 302 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 302 D C 2.343 178.674 176.300 0.052 0.000 0.971 302 D CA 1.180 55.204 54.000 0.040 0.000 0.867 302 D CB -0.067 40.758 40.800 0.043 0.000 0.929 302 D HN 0.414 nan 8.370 nan 0.000 0.492 303 V N 0.294 120.246 119.914 0.063 0.000 3.380 303 V HA -0.016 4.104 4.120 -0.000 0.000 0.268 303 V C 0.753 176.875 176.094 0.046 0.000 1.168 303 V CA 0.439 62.779 62.300 0.067 0.000 1.156 303 V CB 0.007 31.881 31.823 0.085 0.000 0.785 303 V HN 0.039 nan 8.190 nan 0.000 0.487 304 V N -0.864 119.073 119.914 0.039 0.000 3.158 304 V HA 0.652 4.772 4.120 -0.000 0.000 0.315 304 V C 0.313 176.411 176.094 0.007 0.000 1.148 304 V CA -1.298 61.016 62.300 0.023 0.000 1.042 304 V CB 1.480 33.321 31.823 0.030 0.000 1.101 304 V HN 0.406 nan 8.190 nan 0.000 0.448 305 R N 1.459 121.950 120.500 -0.016 0.000 2.784 305 R HA 0.605 4.945 4.340 -0.000 0.000 0.266 305 R C 0.268 176.533 176.300 -0.058 0.000 1.044 305 R CA 0.930 57.006 56.100 -0.040 0.000 1.151 305 R CB -0.612 29.649 30.300 -0.065 0.000 1.037 305 R HN 2.621 nan 8.270 nan 0.000 0.478 306 G N 1.013 109.774 108.800 -0.065 0.000 2.479 306 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 306 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 306 G C -2.848 172.045 174.900 -0.013 0.000 1.295 306 G CA -0.760 44.299 45.100 -0.070 0.000 0.922 306 G HN 0.597 nan 8.290 nan 0.000 0.582 307 P HA 0.293 nan 4.420 nan 0.000 0.264 307 P C 0.426 177.719 177.300 -0.011 0.000 1.193 307 P CA 0.241 63.343 63.100 0.003 0.000 0.763 307 P CB 0.309 32.011 31.700 0.004 0.000 0.810 308 M N 4.199 123.797 119.600 -0.005 0.000 3.237 308 M HA 0.189 4.669 4.480 -0.000 0.000 0.266 308 M C -0.433 175.854 176.300 -0.021 0.000 1.456 308 M CA 0.428 55.725 55.300 -0.004 0.000 1.593 308 M CB -0.711 31.898 32.600 0.014 0.000 1.129 308 M HN 0.206 nan 8.290 nan 0.000 0.547 309 L N -0.308 120.870 121.223 -0.074 0.000 2.370 309 L HA 0.613 4.953 4.340 -0.000 0.000 0.266 309 L C 1.080 177.864 176.870 -0.145 0.000 1.002 309 L CA -0.607 54.153 54.840 -0.133 0.000 0.818 309 L CB 1.765 43.624 42.059 -0.333 0.000 1.325 309 L HN 0.502 nan 8.230 nan 0.000 0.418 310 A N 0.760 123.555 122.820 -0.042 0.000 1.877 310 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 310 A C 1.981 179.565 177.584 0.000 0.000 1.186 310 A CA 1.821 53.868 52.037 0.017 0.000 0.620 310 A CB -0.849 18.209 19.000 0.095 0.000 0.822 310 A HN 0.955 nan 8.150 nan 0.000 0.443 311 H N -1.053 118.012 119.070 -0.007 0.000 2.495 311 H HA 0.005 4.561 4.556 -0.000 0.000 0.287 311 H C 1.689 176.992 175.328 -0.042 0.000 1.033 311 H CA 1.328 57.356 56.048 -0.033 0.000 1.307 311 H CB -0.326 29.419 29.762 -0.028 0.000 1.401 311 H HN 0.432 nan 8.280 nan 0.000 0.555 312 K N 1.852 122.048 120.400 -0.339 0.000 2.025 312 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 312 K C 2.315 178.864 176.600 -0.085 0.000 1.049 312 K CA 1.247 57.422 56.287 -0.186 0.000 0.933 312 K CB -0.354 32.049 32.500 -0.161 0.000 0.714 312 K HN 0.288 nan 8.250 nan 0.000 0.438 313 A N 1.388 124.164 122.820 -0.073 0.000 1.865 313 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 313 A C 2.305 179.856 177.584 -0.055 0.000 1.191 313 A CA 2.868 54.882 52.037 -0.038 0.000 0.623 313 A CB -0.987 17.997 19.000 -0.028 0.000 0.826 313 A HN 0.630 nan 8.150 nan 0.000 0.444 314 S N -0.439 115.216 115.700 -0.076 0.000 2.382 314 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 314 S C 1.688 176.239 174.600 -0.082 0.000 1.027 314 S CA 1.345 59.481 58.200 -0.106 0.000 0.991 314 S CB -0.465 62.659 63.200 -0.127 0.000 0.823 314 S HN 0.579 nan 8.310 nan 0.000 0.469 315 E N 1.375 121.531 120.200 -0.073 0.000 2.110 315 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 315 E C 2.120 178.668 176.600 -0.087 0.000 0.988 315 E CA 1.178 57.524 56.400 -0.089 0.000 0.804 315 E CB -0.225 29.400 29.700 -0.126 0.000 0.745 315 E HN 0.754 nan 8.360 nan 0.000 0.458 316 E N -0.120 120.040 120.200 -0.067 0.000 2.152 316 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 316 E C 2.110 178.705 176.600 -0.008 0.000 0.983 316 E CA 0.697 57.084 56.400 -0.022 0.000 0.818 316 E CB -0.128 29.591 29.700 0.031 0.000 0.758 316 E HN 0.249 nan 8.360 nan 0.000 0.467 317 G N 1.389 110.172 108.800 -0.029 0.000 2.421 317 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 317 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 317 G C 1.588 176.458 174.900 -0.050 0.000 1.171 317 G CA 0.564 45.641 45.100 -0.040 0.000 0.775 317 G HN 0.118 nan 8.290 nan 0.000 0.543 318 I N 1.339 121.880 120.570 -0.048 0.000 2.226 318 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 318 I C 3.256 179.365 176.117 -0.013 0.000 1.100 318 I CA 1.013 62.292 61.300 -0.035 0.000 1.374 318 I CB -0.139 37.844 38.000 -0.029 0.000 1.057 318 I HN 0.243 nan 8.210 nan 0.000 0.413 319 A N 0.551 123.370 122.820 -0.002 0.000 1.930 319 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 319 A C 2.525 180.149 177.584 0.067 0.000 1.175 319 A CA 1.647 53.708 52.037 0.041 0.000 0.627 319 A CB -0.764 18.244 19.000 0.013 0.000 0.815 319 A HN 0.415 nan 8.150 nan 0.000 0.443 320 A N 0.021 122.853 122.820 0.021 0.000 1.877 320 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 320 A C 2.325 179.746 177.584 -0.272 0.000 1.186 320 A CA 2.274 54.280 52.037 -0.052 0.000 0.620 320 A CB -1.223 17.737 19.000 -0.066 0.000 0.822 320 A HN 1.150 nan 8.150 nan 0.000 0.443 321 V N -2.329 117.456 119.914 -0.216 0.000 2.667 321 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 321 V C 1.789 177.774 176.094 -0.181 0.000 1.065 321 V CA 2.119 64.263 62.300 -0.259 0.000 1.083 321 V CB -0.895 30.821 31.823 -0.179 0.000 0.692 321 V HN 0.577 nan 8.190 nan 0.000 0.468 322 E N -0.365 119.796 120.200 -0.066 0.000 2.150 322 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 322 E C 2.162 178.769 176.600 0.011 0.000 0.985 322 E CA 1.225 57.622 56.400 -0.005 0.000 0.814 322 E CB -0.304 29.446 29.700 0.084 0.000 0.752 322 E HN 0.804 nan 8.360 nan 0.000 0.466 323 H N 0.414 119.466 119.070 -0.031 0.000 2.389 323 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 323 H C 2.066 177.328 175.328 -0.110 0.000 1.081 323 H CA 1.116 57.180 56.048 0.027 0.000 1.345 323 H CB 0.171 30.073 29.762 0.233 0.000 1.393 323 H HN 0.147 nan 8.280 nan 0.000 0.520 324 M N -0.227 119.161 119.600 -0.352 0.000 2.117 324 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 324 M C 2.480 178.502 176.300 -0.463 0.000 1.065 324 M CA 1.403 56.300 55.300 -0.672 0.000 1.114 324 M CB 0.064 32.000 32.600 -1.108 0.000 1.361 324 M HN 0.073 nan 8.290 nan 0.000 0.408 325 V N -0.553 119.163 119.914 -0.329 0.000 2.426 325 V HA -0.099 4.021 4.120 -0.000 0.000 0.242 325 V C 1.984 177.929 176.094 -0.248 0.000 1.036 325 V CA 1.567 63.736 62.300 -0.219 0.000 1.044 325 V CB -0.363 31.365 31.823 -0.159 0.000 0.688 325 V HN 0.400 nan 8.190 nan 0.000 0.462 326 R N -0.530 119.769 120.500 -0.335 0.000 2.335 326 R HA 0.335 4.674 4.340 -0.000 0.000 0.210 326 R C 1.575 177.374 176.300 -0.835 0.000 0.892 326 R CA 0.675 56.420 56.100 -0.593 0.000 1.048 326 R CB 0.694 30.605 30.300 -0.649 0.000 1.067 326 R HN 0.524 nan 8.270 nan 0.000 0.524 327 G N 0.869 109.357 108.800 -0.520 0.000 2.148 327 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 327 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 327 G C 0.233 175.213 174.900 0.133 0.000 0.981 327 G CA 0.379 45.251 45.100 -0.381 0.000 0.670 327 G HN 0.292 nan 8.290 nan 0.000 0.528 328 F N 0.164 120.223 119.950 0.181 0.000 2.861 328 F HA 0.628 5.155 4.527 -0.000 0.000 0.222 328 F C 1.471 177.445 175.800 0.290 0.000 1.320 328 F CA -0.387 57.745 58.000 0.222 0.000 0.960 328 F CB 0.308 39.376 39.000 0.112 0.000 2.058 328 F HN 0.871 nan 8.300 nan 0.000 0.528 329 G N 0.273 109.328 108.800 0.426 0.000 2.895 329 G HA2 0.130 4.090 3.960 -0.000 0.000 0.686 329 G HA3 0.130 4.090 3.960 -0.000 0.000 0.686 329 G C -1.896 173.149 174.900 0.242 0.000 1.108 329 G CA -0.760 44.506 45.100 0.277 0.000 0.761 329 G HN 1.058 nan 8.290 nan 0.000 0.611 330 H N -0.347 118.751 119.070 0.046 0.000 3.085 330 H HA 0.649 5.205 4.556 -0.000 0.000 0.356 330 H C -1.009 174.292 175.328 -0.045 0.000 1.178 330 H CA -0.229 55.812 56.048 -0.011 0.000 1.214 330 H CB 2.135 31.890 29.762 -0.012 0.000 1.881 330 H HN 0.869 nan 8.280 nan 0.000 0.538 331 V N 3.847 123.296 119.914 -0.776 0.000 2.531 331 V HA 0.214 4.334 4.120 -0.000 0.000 0.301 331 V C -0.533 175.020 176.094 -0.902 0.000 1.034 331 V CA -0.836 61.029 62.300 -0.726 0.000 0.865 331 V CB 1.605 32.925 31.823 -0.838 0.000 0.995 331 V HN 0.817 nan 8.190 nan 0.000 0.424 332 D N 3.096 123.230 120.400 -0.442 0.000 2.479 332 D HA 0.243 4.883 4.640 -0.000 0.000 0.218 332 D C 0.526 176.715 176.300 -0.185 0.000 1.131 332 D CA -0.206 53.701 54.000 -0.155 0.000 0.916 332 D CB 0.584 41.498 40.800 0.190 0.000 1.022 332 D HN 0.496 nan 8.370 nan 0.000 0.515 333 Y N 1.131 121.393 120.300 -0.063 0.000 2.333 333 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 333 Y C 2.206 178.066 175.900 -0.068 0.000 1.144 333 Y CA 0.733 58.797 58.100 -0.061 0.000 1.228 333 Y CB 0.095 38.514 38.460 -0.069 0.000 0.985 333 Y HN 0.358 nan 8.280 nan 0.000 0.542 334 Q N -0.567 119.257 119.800 0.040 0.000 2.436 334 Q HA 0.062 4.402 4.340 -0.000 0.000 0.209 334 Q C 1.823 177.808 176.000 -0.024 0.000 0.965 334 Q CA 0.963 56.719 55.803 -0.078 0.000 0.910 334 Q CB -0.199 28.461 28.738 -0.130 0.000 0.980 334 Q HN 0.485 nan 8.270 nan 0.000 0.491 335 A N -0.290 122.555 122.820 0.042 0.000 2.390 335 A HA 0.246 4.566 4.320 -0.000 0.000 0.232 335 A C 0.656 178.272 177.584 0.053 0.000 1.233 335 A CA -0.329 51.757 52.037 0.081 0.000 0.907 335 A CB 0.259 19.383 19.000 0.205 0.000 0.967 335 A HN 0.163 nan 8.150 nan 0.000 0.512 336 I N 3.002 123.598 120.570 0.043 0.000 2.337 336 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 336 I C -2.175 174.001 176.117 0.099 0.000 1.046 336 I CA -1.916 59.437 61.300 0.088 0.000 1.324 336 I CB 1.315 39.347 38.000 0.053 0.000 1.409 336 I HN 0.122 nan 8.210 nan 0.000 0.494 337 P HA 0.106 nan 4.420 nan 0.000 0.278 337 P C -0.745 176.658 177.300 0.172 0.000 1.238 337 P CA -0.440 62.709 63.100 0.081 0.000 0.794 337 P CB 1.482 33.189 31.700 0.012 0.000 0.955 338 S N 1.593 117.327 115.700 0.056 0.000 2.552 338 S HA 0.546 5.016 4.470 -0.000 0.000 0.314 338 S C -0.878 173.700 174.600 -0.036 0.000 1.099 338 S CA -0.559 57.674 58.200 0.055 0.000 1.070 338 S CB 0.233 63.452 63.200 0.031 0.000 0.998 338 S HN 0.182 nan 8.310 nan 0.000 0.474 339 V N 4.751 124.612 119.914 -0.088 0.000 2.735 339 V HA 0.610 4.730 4.120 -0.000 0.000 0.310 339 V C -0.602 175.224 176.094 -0.446 0.000 1.061 339 V CA -0.796 61.305 62.300 -0.331 0.000 0.913 339 V CB 2.079 33.575 31.823 -0.545 0.000 1.005 339 V HN 0.731 nan 8.190 nan 0.000 0.428 340 V N 3.752 123.414 119.914 -0.420 0.000 2.384 340 V HA 0.346 4.466 4.120 -0.000 0.000 0.287 340 V C -0.632 175.249 176.094 -0.355 0.000 1.020 340 V CA -0.425 61.712 62.300 -0.272 0.000 0.850 340 V CB 1.222 33.006 31.823 -0.065 0.000 0.987 340 V HN 0.855 nan 8.190 nan 0.000 0.436 341 Y N 2.462 122.787 120.300 0.042 0.000 2.801 341 Y HA 0.160 4.710 4.550 -0.000 0.000 0.340 341 Y C 1.702 177.637 175.900 0.059 0.000 1.088 341 Y CA -0.544 57.581 58.100 0.042 0.000 1.444 341 Y CB -0.074 38.401 38.460 0.025 0.000 1.251 341 Y HN 0.774 nan 8.280 nan 0.000 0.522 342 T N -2.651 111.995 114.554 0.154 0.000 2.698 342 T HA 0.024 4.374 4.350 -0.000 0.000 0.295 342 T C -0.307 174.526 174.700 0.222 0.000 1.007 342 T CA -0.494 61.724 62.100 0.197 0.000 0.980 342 T CB 1.031 70.080 68.868 0.300 0.000 1.036 342 T HN 0.345 nan 8.240 nan 0.000 0.526 343 H N 1.661 120.822 119.070 0.151 0.000 2.800 343 H HA 0.376 4.932 4.556 -0.000 0.000 0.322 343 H C -2.718 172.660 175.328 0.083 0.000 0.979 343 H CA -2.171 53.935 56.048 0.097 0.000 1.277 343 H CB 1.575 31.395 29.762 0.096 0.000 1.484 343 H HN 0.489 nan 8.280 nan 0.000 0.512 344 P HA 0.089 nan 4.420 nan 0.000 0.272 344 P C -0.162 177.032 177.300 -0.176 0.000 1.223 344 P CA -0.256 62.579 63.100 -0.441 0.000 0.784 344 P CB 1.797 33.213 31.700 -0.473 0.000 0.923 345 E N 0.726 120.834 120.200 -0.154 0.000 2.392 345 E HA 0.314 4.664 4.350 -0.000 0.000 0.259 345 E C -0.143 176.367 176.600 -0.149 0.000 1.108 345 E CA -0.209 56.130 56.400 -0.103 0.000 0.916 345 E CB 0.375 30.027 29.700 -0.081 0.000 0.989 345 E HN 0.389 nan 8.360 nan 0.000 0.432 346 I N 0.846 121.331 120.570 -0.141 0.000 2.533 346 I HA 0.541 4.711 4.170 -0.000 0.000 0.290 346 I C -0.677 175.356 176.117 -0.140 0.000 1.056 346 I CA -0.565 60.657 61.300 -0.129 0.000 1.057 346 I CB 1.977 39.947 38.000 -0.050 0.000 1.240 346 I HN 0.477 nan 8.210 nan 0.000 0.423 347 A N 4.439 127.188 122.820 -0.119 0.000 2.587 347 A HA 1.006 5.326 4.320 -0.000 0.000 0.293 347 A C -1.533 175.990 177.584 -0.103 0.000 1.087 347 A CA -0.591 51.378 52.037 -0.113 0.000 0.692 347 A CB 2.050 20.980 19.000 -0.117 0.000 1.291 347 A HN 0.893 nan 8.150 nan 0.000 0.407 348 A N -0.095 122.639 122.820 -0.143 0.000 2.520 348 A HA 0.814 5.134 4.320 -0.000 0.000 0.298 348 A C -1.471 175.946 177.584 -0.277 0.000 1.051 348 A CA -0.426 51.420 52.037 -0.319 0.000 0.690 348 A CB 1.583 20.477 19.000 -0.178 0.000 1.281 348 A HN 2.204 nan 8.150 nan 0.000 0.402 349 V N 1.640 121.309 119.914 -0.408 0.000 2.932 349 V HA 0.776 4.896 4.120 -0.000 0.000 0.307 349 V C 0.594 176.578 176.094 -0.183 0.000 1.147 349 V CA 1.224 63.406 62.300 -0.197 0.000 0.951 349 V CB 1.519 33.285 31.823 -0.095 0.000 1.031 349 V HN 2.924 nan 8.190 nan 0.000 0.426 350 G N 4.797 113.526 108.800 -0.118 0.000 2.601 350 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.252 350 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.252 350 G C -0.481 174.373 174.900 -0.076 0.000 1.294 350 G CA 0.497 45.501 45.100 -0.161 0.000 0.912 350 G HN 1.158 nan 8.290 nan 0.000 0.574 351 Y N 1.834 122.208 120.300 0.124 0.000 2.359 351 Y HA 0.435 4.984 4.550 -0.000 0.000 0.330 351 Y C 1.761 177.778 175.900 0.196 0.000 1.143 351 Y CA 0.058 58.226 58.100 0.113 0.000 1.318 351 Y CB 0.962 39.444 38.460 0.038 0.000 1.234 351 Y HN 0.826 nan 8.280 nan 0.000 0.522 352 T N -1.484 113.263 114.554 0.322 0.000 2.788 352 T HA 0.085 4.435 4.350 -0.000 0.000 0.287 352 T C 0.942 175.578 174.700 -0.106 0.000 1.007 352 T CA -0.697 61.450 62.100 0.077 0.000 1.005 352 T CB 0.958 69.887 68.868 0.101 0.000 1.012 352 T HN 0.749 nan 8.240 nan 0.000 0.530 353 E N 0.381 120.444 120.200 -0.229 0.000 2.118 353 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 353 E C 2.037 178.567 176.600 -0.116 0.000 0.992 353 E CA 1.396 57.645 56.400 -0.251 0.000 0.804 353 E CB -0.052 29.590 29.700 -0.097 0.000 0.741 353 E HN 0.700 nan 8.360 nan 0.000 0.458 354 E N 0.896 121.068 120.200 -0.048 0.000 2.077 354 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 354 E C 1.814 178.400 176.600 -0.023 0.000 0.989 354 E CA 1.061 57.455 56.400 -0.010 0.000 0.800 354 E CB -0.072 29.635 29.700 0.011 0.000 0.746 354 E HN 0.295 nan 8.360 nan 0.000 0.452 355 E N 0.096 120.282 120.200 -0.024 0.000 2.106 355 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 355 E C 2.067 178.565 176.600 -0.171 0.000 0.984 355 E CA 0.647 57.014 56.400 -0.055 0.000 0.806 355 E CB -0.088 29.638 29.700 0.043 0.000 0.750 355 E HN 0.208 nan 8.360 nan 0.000 0.458 356 L N 0.872 121.971 121.223 -0.206 0.000 2.027 356 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 356 L C 2.359 179.187 176.870 -0.070 0.000 1.074 356 L CA 1.284 55.981 54.840 -0.238 0.000 0.745 356 L CB -0.314 41.473 42.059 -0.455 0.000 0.898 356 L HN 0.024 nan 8.230 nan 0.000 0.433 357 K N 0.114 120.516 120.400 0.002 0.000 2.057 357 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 357 K C 2.221 178.827 176.600 0.009 0.000 1.049 357 K CA 1.366 57.691 56.287 0.064 0.000 0.931 357 K CB -0.270 32.277 32.500 0.079 0.000 0.714 357 K HN 0.279 nan 8.250 nan 0.000 0.440 358 A N 1.130 123.938 122.820 -0.020 0.000 1.972 358 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 358 A C 1.794 179.356 177.584 -0.036 0.000 1.169 358 A CA 1.296 53.318 52.037 -0.023 0.000 0.635 358 A CB -0.254 18.731 19.000 -0.025 0.000 0.810 358 A HN 0.312 nan 8.150 nan 0.000 0.446 359 Q N -1.654 118.105 119.800 -0.068 0.000 2.403 359 Q HA 0.254 4.594 4.340 -0.000 0.000 0.203 359 Q C 0.970 176.946 176.000 -0.040 0.000 0.932 359 Q CA 0.278 56.035 55.803 -0.076 0.000 0.945 359 Q CB 0.186 28.827 28.738 -0.162 0.000 1.045 359 Q HN 0.838 nan 8.270 nan 0.000 0.511 360 G N 1.794 110.584 108.800 -0.017 0.000 2.198 360 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 360 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 360 G C -0.022 174.886 174.900 0.014 0.000 1.025 360 G CA -0.018 45.085 45.100 0.004 0.000 0.769 360 G HN 0.318 nan 8.290 nan 0.000 0.507 361 I N 2.209 122.790 120.570 0.018 0.000 2.371 361 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 361 I C -1.464 174.685 176.117 0.055 0.000 1.028 361 I CA -2.263 59.054 61.300 0.028 0.000 1.345 361 I CB 1.298 39.311 38.000 0.022 0.000 1.407 361 I HN -0.046 nan 8.210 nan 0.000 0.501 362 P HA 0.214 nan 4.420 nan 0.000 0.280 362 P C -1.540 175.686 177.300 -0.123 0.000 1.244 362 P CA 0.018 63.047 63.100 -0.120 0.000 0.784 362 P CB 0.635 32.228 31.700 -0.177 0.000 0.913 363 Y N -0.614 119.593 120.300 -0.154 0.000 2.655 363 Y HA 0.705 5.255 4.550 -0.000 0.000 0.336 363 Y C -0.966 174.907 175.900 -0.045 0.000 1.154 363 Y CA -1.404 56.640 58.100 -0.093 0.000 1.055 363 Y CB 1.521 39.962 38.460 -0.032 0.000 1.295 363 Y HN 0.143 nan 8.280 nan 0.000 0.465 364 K N 1.427 121.895 120.400 0.113 0.000 2.259 364 K HA 0.729 5.049 4.320 -0.000 0.000 0.249 364 K C -1.628 175.081 176.600 0.181 0.000 0.942 364 K CA -1.195 55.118 56.287 0.043 0.000 0.816 364 K CB 2.904 35.431 32.500 0.044 0.000 1.155 364 K HN 0.505 nan 8.250 nan 0.000 0.428 365 V N 1.318 121.298 119.914 0.111 0.000 2.459 365 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 365 V C 0.086 176.245 176.094 0.108 0.000 1.029 365 V CA -0.695 61.694 62.300 0.148 0.000 0.874 365 V CB 1.642 33.535 31.823 0.117 0.000 0.985 365 V HN 0.941 nan 8.190 nan 0.000 0.438 366 G N 3.622 112.506 108.800 0.139 0.000 2.544 366 G HA2 0.673 4.633 3.960 -0.000 0.000 0.313 366 G HA3 0.673 4.633 3.960 -0.000 0.000 0.313 366 G C -1.086 173.912 174.900 0.164 0.000 1.316 366 G CA -0.593 44.592 45.100 0.142 0.000 0.944 366 G HN 0.640 nan 8.290 nan 0.000 0.489 367 K N 1.824 122.319 120.400 0.157 0.000 2.482 367 K HA 0.624 4.944 4.320 -0.000 0.000 0.251 367 K C -2.116 174.632 176.600 0.247 0.000 0.936 367 K CA -0.858 55.537 56.287 0.180 0.000 0.791 367 K CB 1.980 34.502 32.500 0.036 0.000 1.213 367 K HN 0.310 nan 8.250 nan 0.000 0.428 368 F N 6.136 126.166 119.950 0.133 0.000 2.518 368 F HA 0.510 5.037 4.527 0.000 0.000 0.323 368 F C -2.411 173.488 175.800 0.165 0.000 1.129 368 F CA -2.039 56.026 58.000 0.109 0.000 0.920 368 F CB 1.784 40.824 39.000 0.067 0.000 1.160 368 F HN 0.386 nan 8.300 nan 0.000 0.440 369 P HA 0.157 nan 4.420 nan 0.000 0.286 369 P C 0.088 177.383 177.300 -0.009 0.000 1.261 369 P CA -0.033 63.054 63.100 -0.022 0.000 0.821 369 P CB 1.115 32.744 31.700 -0.118 0.000 1.013 370 Y N 0.802 121.112 120.300 0.018 0.000 2.315 370 Y HA -0.249 4.301 4.550 -0.000 0.000 0.288 370 Y C 2.756 178.649 175.900 -0.012 0.000 1.154 370 Y CA 1.994 60.111 58.100 0.028 0.000 1.229 370 Y CB -0.449 38.021 38.460 0.017 0.000 0.980 370 Y HN 0.408 nan 8.280 nan 0.000 0.540 371 S N -0.431 115.323 115.700 0.089 0.000 2.419 371 S HA -0.178 4.292 4.470 -0.000 0.000 0.233 371 S C 1.917 176.499 174.600 -0.031 0.000 1.016 371 S CA 0.806 59.019 58.200 0.021 0.000 0.974 371 S CB -0.464 62.731 63.200 -0.008 0.000 0.786 371 S HN 0.340 nan 8.310 nan 0.000 0.492 372 A N 0.883 123.620 122.820 -0.137 0.000 2.275 372 A HA 0.447 4.767 4.320 -0.000 0.000 0.212 372 A C 1.109 178.747 177.584 0.090 0.000 1.201 372 A CA 0.241 52.205 52.037 -0.122 0.000 0.843 372 A CB -0.276 18.435 19.000 -0.481 0.000 0.873 372 A HN 0.471 nan 8.150 nan 0.000 0.492 373 S N -0.433 115.321 115.700 0.090 0.000 2.452 373 S HA 0.452 4.922 4.470 -0.000 0.000 0.284 373 S C 1.454 176.068 174.600 0.025 0.000 1.171 373 S CA -0.005 58.251 58.200 0.092 0.000 1.064 373 S CB 1.089 64.281 63.200 -0.013 0.000 0.967 373 S HN 0.448 nan 8.310 nan 0.000 0.484 374 G N 4.753 113.552 108.800 -0.000 0.000 2.459 374 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 374 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 374 G C 1.470 176.336 174.900 -0.057 0.000 1.183 374 G CA 0.865 45.952 45.100 -0.022 0.000 0.776 374 G HN 0.680 nan 8.290 nan 0.000 0.552 375 R N 1.081 121.516 120.500 -0.107 0.000 2.073 375 R HA 0.079 4.419 4.340 -0.000 0.000 0.234 375 R C 2.844 179.130 176.300 -0.023 0.000 1.134 375 R CA 1.854 57.901 56.100 -0.088 0.000 0.952 375 R CB -0.982 29.248 30.300 -0.116 0.000 0.850 375 R HN 0.265 nan 8.270 nan 0.000 0.433 376 A N 0.240 123.055 122.820 -0.009 0.000 1.883 376 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 376 A C 2.220 179.849 177.584 0.075 0.000 1.186 376 A CA 1.886 53.967 52.037 0.074 0.000 0.624 376 A CB -0.567 18.508 19.000 0.124 0.000 0.822 376 A HN 0.298 nan 8.150 nan 0.000 0.444 377 R N -0.016 120.513 120.500 0.048 0.000 2.081 377 R HA -0.018 4.321 4.340 -0.000 0.000 0.235 377 R C 2.203 178.523 176.300 0.033 0.000 1.131 377 R CA 1.795 57.921 56.100 0.043 0.000 0.960 377 R CB -0.897 29.424 30.300 0.035 0.000 0.856 377 R HN 0.424 nan 8.270 nan 0.000 0.436 378 A N 0.029 122.860 122.820 0.018 0.000 1.940 378 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 378 A C 2.134 179.730 177.584 0.021 0.000 1.176 378 A CA 1.861 53.905 52.037 0.012 0.000 0.631 378 A CB -0.480 18.516 19.000 -0.007 0.000 0.814 378 A HN 0.402 nan 8.150 nan 0.000 0.446 379 M N -1.617 118.003 119.600 0.034 0.000 2.476 379 M HA 0.118 4.598 4.480 -0.000 0.000 0.262 379 M C 1.381 177.713 176.300 0.054 0.000 1.079 379 M CA 0.965 56.294 55.300 0.048 0.000 1.104 379 M CB 0.052 32.697 32.600 0.075 0.000 1.409 379 M HN 0.656 nan 8.290 nan 0.000 0.467 380 G N 0.700 109.531 108.800 0.052 0.000 2.132 380 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.228 380 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.228 380 G C -0.381 174.561 174.900 0.068 0.000 1.000 380 G CA -0.366 44.764 45.100 0.050 0.000 0.693 380 G HN 0.409 nan 8.290 nan 0.000 0.515 381 E N 0.102 120.356 120.200 0.090 0.000 2.166 381 E HA 0.587 4.937 4.350 -0.000 0.000 0.275 381 E C 1.105 177.771 176.600 0.110 0.000 0.941 381 E CA 0.217 56.679 56.400 0.103 0.000 0.784 381 E CB 1.538 31.329 29.700 0.151 0.000 1.115 381 E HN 0.484 nan 8.360 nan 0.000 0.399 382 T N -1.576 113.023 114.554 0.075 0.000 2.993 382 T HA 0.155 4.505 4.350 -0.000 0.000 0.260 382 T C 0.371 175.110 174.700 0.065 0.000 0.939 382 T CA -0.302 61.845 62.100 0.078 0.000 0.886 382 T CB 0.569 69.464 68.868 0.044 0.000 1.209 382 T HN 0.079 nan 8.240 nan 0.000 0.518 383 E N 1.377 121.572 120.200 -0.009 0.000 2.231 383 E HA 0.662 5.012 4.350 -0.000 0.000 0.277 383 E C 0.513 176.988 176.600 -0.208 0.000 0.999 383 E CA 0.276 56.637 56.400 -0.064 0.000 0.827 383 E CB 1.428 31.074 29.700 -0.091 0.000 1.101 383 E HN 0.698 nan 8.360 nan 0.000 0.393 384 G N 1.274 110.013 108.800 -0.102 0.000 2.408 384 G HA2 0.157 4.117 3.960 -0.000 0.000 0.682 384 G HA3 0.157 4.117 3.960 -0.000 0.000 0.682 384 G C -1.258 173.778 174.900 0.227 0.000 1.303 384 G CA -0.497 44.481 45.100 -0.204 0.000 0.966 384 G HN 0.501 nan 8.290 nan 0.000 0.560 385 F N -2.111 117.923 119.950 0.140 0.000 2.741 385 F HA 0.848 5.375 4.527 -0.000 0.000 0.311 385 F C -1.056 174.902 175.800 0.264 0.000 1.149 385 F CA -1.683 56.469 58.000 0.253 0.000 0.930 385 F CB 1.035 40.103 39.000 0.114 0.000 1.312 385 F HN 0.600 nan 8.300 nan 0.000 0.450 386 I N 1.998 122.840 120.570 0.453 0.000 2.569 386 I HA 0.474 4.644 4.170 -0.000 0.000 0.296 386 I C -1.046 175.344 176.117 0.454 0.000 1.028 386 I CA -0.857 60.642 61.300 0.331 0.000 1.082 386 I CB 2.313 40.440 38.000 0.211 0.000 1.264 386 I HN 0.721 nan 8.210 nan 0.000 0.429 387 K N 5.656 126.309 120.400 0.421 0.000 2.426 387 K HA 0.649 4.969 4.320 -0.000 0.000 0.254 387 K C -1.808 174.958 176.600 0.276 0.000 0.936 387 K CA -0.504 55.994 56.287 0.352 0.000 0.801 387 K CB 1.957 34.691 32.500 0.390 0.000 1.139 387 K HN 0.399 nan 8.250 nan 0.000 0.424 388 V N 5.906 125.955 119.914 0.226 0.000 2.435 388 V HA 0.382 4.502 4.120 -0.000 0.000 0.290 388 V C -0.330 175.885 176.094 0.202 0.000 1.030 388 V CA -0.843 61.581 62.300 0.207 0.000 0.881 388 V CB 1.293 33.222 31.823 0.177 0.000 0.983 388 V HN 0.692 nan 8.190 nan 0.000 0.445 389 L N 4.731 126.074 121.223 0.200 0.000 2.287 389 L HA 0.856 5.196 4.340 -0.000 0.000 0.287 389 L C 0.165 177.160 176.870 0.208 0.000 1.022 389 L CA -0.322 54.633 54.840 0.191 0.000 0.814 389 L CB 1.489 43.588 42.059 0.066 0.000 1.217 389 L HN 0.729 nan 8.230 nan 0.000 0.420 390 A N 2.041 125.006 122.820 0.241 0.000 2.401 390 A HA 0.434 4.754 4.320 -0.000 0.000 0.310 390 A C -0.877 176.867 177.584 0.266 0.000 1.075 390 A CA -0.591 51.591 52.037 0.241 0.000 0.746 390 A CB 1.117 20.252 19.000 0.225 0.000 1.277 390 A HN 0.751 nan 8.150 nan 0.000 0.425 391 H N 1.984 121.161 119.070 0.177 0.000 2.964 391 H HA 0.220 4.776 4.556 -0.000 0.000 0.328 391 H C 1.341 176.747 175.328 0.129 0.000 1.030 391 H CA 0.803 56.947 56.048 0.161 0.000 1.445 391 H CB 1.410 31.250 29.762 0.130 0.000 1.449 391 H HN 0.729 nan 8.280 nan 0.000 0.581 392 A N 5.493 128.250 122.820 -0.106 0.000 1.972 392 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 392 A C 2.329 179.977 177.584 0.106 0.000 1.169 392 A CA 1.453 53.480 52.037 -0.016 0.000 0.635 392 A CB -0.163 18.770 19.000 -0.112 0.000 0.810 392 A HN 0.775 nan 8.150 nan 0.000 0.446 393 K N -0.969 119.603 120.400 0.287 0.000 2.141 393 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 393 K C 1.996 178.738 176.600 0.236 0.000 1.045 393 K CA 1.587 58.033 56.287 0.266 0.000 0.971 393 K CB -0.037 32.635 32.500 0.286 0.000 0.795 393 K HN 0.579 nan 8.250 nan 0.000 0.459 394 T N -2.531 112.198 114.554 0.292 0.000 3.037 394 T HA 0.028 4.378 4.350 -0.000 0.000 0.251 394 T C 0.501 175.293 174.700 0.154 0.000 1.079 394 T CA 0.799 62.968 62.100 0.115 0.000 1.067 394 T CB 0.143 68.974 68.868 -0.062 0.000 0.948 394 T HN 0.330 nan 8.240 nan 0.000 0.496 395 D N 0.196 120.732 120.400 0.226 0.000 3.046 395 D HA -0.156 4.484 4.640 -0.000 0.000 0.210 395 D C -0.216 176.204 176.300 0.201 0.000 1.124 395 D CA 0.438 54.576 54.000 0.229 0.000 0.986 395 D CB -0.961 39.990 40.800 0.253 0.000 1.118 395 D HN 0.302 nan 8.370 nan 0.000 0.416 396 R N 0.558 121.163 120.500 0.176 0.000 2.538 396 R HA 0.179 4.519 4.340 -0.000 0.000 0.282 396 R C 0.528 176.938 176.300 0.183 0.000 1.009 396 R CA -0.007 56.180 56.100 0.145 0.000 1.063 396 R CB -0.043 30.316 30.300 0.099 0.000 0.945 396 R HN 0.393 nan 8.270 nan 0.000 0.414 397 I N 4.915 125.578 120.570 0.156 0.000 2.668 397 I HA -0.152 4.018 4.170 -0.000 0.000 0.285 397 I C 1.573 177.790 176.117 0.167 0.000 1.168 397 I CA 0.340 61.737 61.300 0.162 0.000 1.424 397 I CB 0.401 38.483 38.000 0.137 0.000 1.377 397 I HN 0.462 nan 8.210 nan 0.000 0.560 398 L N 5.821 127.161 121.223 0.195 0.000 2.470 398 L HA 0.410 4.750 4.340 -0.000 0.000 0.219 398 L C 0.961 177.948 176.870 0.195 0.000 1.071 398 L CA 0.058 55.035 54.840 0.230 0.000 0.850 398 L CB 0.044 42.267 42.059 0.273 0.000 1.040 398 L HN 0.774 nan 8.230 nan 0.000 0.475 399 G N -0.649 108.268 108.800 0.194 0.000 2.667 399 G HA2 0.539 4.499 3.960 -0.000 0.000 0.294 399 G HA3 0.539 4.499 3.960 -0.000 0.000 0.294 399 G C -1.981 173.082 174.900 0.272 0.000 1.467 399 G CA -0.354 44.886 45.100 0.232 0.000 0.852 399 G HN -0.291 nan 8.290 nan 0.000 0.521 400 V N 1.821 121.840 119.914 0.175 0.000 2.760 400 V HA 0.693 4.813 4.120 -0.000 0.000 0.309 400 V C -0.808 175.292 176.094 0.010 0.000 1.077 400 V CA -0.807 61.613 62.300 0.200 0.000 0.910 400 V CB 1.846 33.725 31.823 0.094 0.000 1.008 400 V HN 0.881 nan 8.190 nan 0.000 0.424 401 H N 1.910 121.031 119.070 0.085 0.000 2.996 401 H HA 0.778 5.334 4.556 -0.000 0.000 0.368 401 H C -0.141 175.192 175.328 0.010 0.000 1.185 401 H CA -0.478 55.603 56.048 0.055 0.000 1.160 401 H CB 2.910 32.728 29.762 0.093 0.000 1.820 401 H HN 0.963 nan 8.280 nan 0.000 0.547 402 G N 0.737 109.529 108.800 -0.014 0.000 2.576 402 G HA2 0.494 4.454 3.960 -0.000 0.000 0.290 402 G HA3 0.494 4.454 3.960 -0.000 0.000 0.290 402 G C -1.927 172.749 174.900 -0.373 0.000 1.442 402 G CA -0.625 44.318 45.100 -0.263 0.000 0.792 402 G HN 0.578 nan 8.290 nan 0.000 0.491 403 I N -0.007 120.216 120.570 -0.579 0.000 2.644 403 I HA 0.778 4.948 4.170 -0.000 0.000 0.291 403 I C -0.149 175.640 176.117 -0.547 0.000 1.180 403 I CA 0.045 61.063 61.300 -0.470 0.000 1.040 403 I CB 1.943 39.665 38.000 -0.464 0.000 1.255 403 I HN 1.510 nan 8.210 nan 0.000 0.422 404 G N 4.385 112.861 108.800 -0.541 0.000 2.339 404 G HA2 0.482 4.441 3.960 -0.000 0.000 0.302 404 G HA3 0.482 4.441 3.960 -0.000 0.000 0.302 404 G C -1.227 173.362 174.900 -0.518 0.000 1.425 404 G CA -0.355 44.190 45.100 -0.926 0.000 0.899 404 G HN 1.009 nan 8.290 nan 0.000 0.619 405 A N 0.150 122.686 122.820 -0.472 0.000 2.561 405 A HA 0.503 4.823 4.320 -0.000 0.000 0.251 405 A C 1.479 179.107 177.584 0.072 0.000 1.062 405 A CA 1.506 53.449 52.037 -0.156 0.000 0.761 405 A CB -0.514 18.505 19.000 0.033 0.000 0.986 405 A HN 1.778 nan 8.150 nan 0.000 0.510 406 R N 0.825 121.359 120.500 0.055 0.000 3.758 406 R HA -0.178 4.162 4.340 -0.000 0.000 0.299 406 R C 0.724 177.078 176.300 0.090 0.000 1.182 406 R CA 0.640 56.799 56.100 0.098 0.000 0.809 406 R CB -2.502 27.867 30.300 0.114 0.000 1.249 406 R HN 0.625 nan 8.270 nan 0.000 0.497 407 V N -0.327 119.623 119.914 0.059 0.000 2.626 407 V HA -0.137 3.982 4.120 -0.000 0.000 0.252 407 V C 2.350 178.455 176.094 0.018 0.000 1.067 407 V CA 2.414 64.754 62.300 0.066 0.000 1.081 407 V CB -0.206 31.625 31.823 0.014 0.000 0.686 407 V HN 0.639 nan 8.190 nan 0.000 0.468 408 G N -0.744 108.052 108.800 -0.006 0.000 2.418 408 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 408 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 408 G C 1.248 176.170 174.900 0.035 0.000 1.158 408 G CA 0.941 46.035 45.100 -0.010 0.000 0.771 408 G HN 0.537 nan 8.290 nan 0.000 0.545 409 D N 0.358 120.795 120.400 0.062 0.000 2.097 409 D HA -0.095 4.544 4.640 -0.000 0.000 0.195 409 D C 2.783 179.104 176.300 0.034 0.000 0.989 409 D CA 0.802 54.833 54.000 0.051 0.000 0.827 409 D CB -0.526 40.309 40.800 0.057 0.000 0.966 409 D HN 0.198 nan 8.370 nan 0.000 0.456 410 V N 0.755 120.692 119.914 0.038 0.000 2.407 410 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 410 V C 2.188 178.297 176.094 0.025 0.000 1.055 410 V CA 1.072 63.389 62.300 0.029 0.000 1.049 410 V CB -0.268 31.572 31.823 0.028 0.000 0.662 410 V HN 0.130 nan 8.190 nan 0.000 0.455 411 L N 0.173 121.407 121.223 0.018 0.000 2.599 411 L HA 0.211 4.551 4.340 -0.000 0.000 0.230 411 L C 2.357 179.231 176.870 0.006 0.000 1.141 411 L CA 1.214 56.060 54.840 0.010 0.000 0.877 411 L CB -1.082 40.971 42.059 -0.009 0.000 1.009 411 L HN 0.237 nan 8.230 nan 0.000 0.447 412 A N -0.575 122.247 122.820 0.004 0.000 1.917 412 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 412 A C 2.351 179.941 177.584 0.010 0.000 1.182 412 A CA 2.045 54.080 52.037 -0.004 0.000 0.633 412 A CB -0.422 18.574 19.000 -0.008 0.000 0.819 412 A HN 0.495 nan 8.150 nan 0.000 0.448 413 E N -0.545 119.668 120.200 0.023 0.000 2.106 413 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 413 E C 2.210 178.840 176.600 0.050 0.000 0.984 413 E CA 0.834 57.256 56.400 0.037 0.000 0.806 413 E CB -0.209 29.529 29.700 0.062 0.000 0.750 413 E HN 0.588 nan 8.360 nan 0.000 0.458 414 A N 1.161 124.010 122.820 0.048 0.000 1.902 414 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 414 A C 2.360 179.983 177.584 0.066 0.000 1.181 414 A CA 1.662 53.733 52.037 0.057 0.000 0.623 414 A CB -0.648 18.378 19.000 0.043 0.000 0.818 414 A HN 0.375 nan 8.150 nan 0.000 0.443 415 A N -0.417 122.433 122.820 0.049 0.000 1.883 415 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 415 A C 2.139 179.800 177.584 0.128 0.000 1.186 415 A CA 1.784 53.858 52.037 0.062 0.000 0.624 415 A CB -0.678 18.333 19.000 0.019 0.000 0.822 415 A HN 0.657 nan 8.150 nan 0.000 0.444 416 L N -0.177 121.116 121.223 0.117 0.000 2.012 416 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 416 L C 2.732 179.780 176.870 0.297 0.000 1.073 416 L CA 2.306 57.272 54.840 0.209 0.000 0.748 416 L CB -0.791 41.331 42.059 0.106 0.000 0.891 416 L HN 0.362 nan 8.230 nan 0.000 0.431 417 A N -0.778 122.142 122.820 0.168 0.000 1.908 417 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 417 A C 2.289 179.996 177.584 0.206 0.000 1.181 417 A CA 2.105 54.237 52.037 0.158 0.000 0.627 417 A CB -0.910 18.148 19.000 0.097 0.000 0.818 417 A HN 0.505 nan 8.150 nan 0.000 0.445 418 L N -2.360 118.973 121.223 0.184 0.000 2.056 418 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 418 L C 2.402 179.387 176.870 0.191 0.000 1.078 418 L CA 1.329 56.262 54.840 0.156 0.000 0.749 418 L CB -0.437 41.687 42.059 0.109 0.000 0.901 418 L HN 0.482 nan 8.230 nan 0.000 0.433 419 F N -0.246 119.767 119.950 0.105 0.000 2.202 419 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 419 F C 1.840 177.654 175.800 0.023 0.000 1.082 419 F CA 1.456 59.496 58.000 0.068 0.000 1.313 419 F CB -0.187 38.867 39.000 0.091 0.000 1.024 419 F HN -0.068 nan 8.300 nan 0.000 0.495 420 F N 0.683 120.653 119.950 0.033 0.000 2.797 420 F HA 0.149 4.676 4.527 -0.000 0.000 0.302 420 F C 0.944 176.708 175.800 -0.060 0.000 1.130 420 F CA 0.111 58.082 58.000 -0.049 0.000 1.387 420 F CB -0.353 38.667 39.000 0.034 0.000 1.107 420 F HN -0.202 nan 8.300 nan 0.000 0.577 421 K N 0.121 120.567 120.400 0.077 0.000 3.077 421 K HA -0.216 4.104 4.320 -0.000 0.000 0.264 421 K C 0.192 176.843 176.600 0.085 0.000 1.008 421 K CA 0.121 56.436 56.287 0.047 0.000 0.740 421 K CB -1.705 30.780 32.500 -0.024 0.000 1.273 421 K HN 0.274 nan 8.250 nan 0.000 0.477 422 A N 1.047 123.943 122.820 0.126 0.000 2.272 422 A HA 0.580 4.900 4.320 -0.000 0.000 0.275 422 A C 0.715 178.353 177.584 0.091 0.000 1.096 422 A CA 0.049 52.149 52.037 0.104 0.000 0.822 422 A CB 0.633 19.691 19.000 0.098 0.000 1.088 422 A HN 0.428 nan 8.150 nan 0.000 0.495 423 S N -0.381 115.364 115.700 0.075 0.000 2.693 423 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 423 S C 1.141 175.796 174.600 0.091 0.000 1.192 423 S CA -0.103 58.153 58.200 0.094 0.000 0.994 423 S CB 1.277 64.530 63.200 0.088 0.000 1.012 423 S HN 1.606 nan 8.310 nan 0.000 0.550 424 A N 0.470 123.372 122.820 0.138 0.000 1.902 424 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 424 A C 2.097 179.723 177.584 0.070 0.000 1.181 424 A CA 1.747 53.872 52.037 0.147 0.000 0.623 424 A CB -1.257 17.884 19.000 0.234 0.000 0.818 424 A HN 1.000 nan 8.150 nan 0.000 0.443 425 E N -0.244 119.953 120.200 -0.006 0.000 2.085 425 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 425 E C 1.347 177.800 176.600 -0.246 0.000 0.994 425 E CA 1.472 57.651 56.400 -0.369 0.000 0.801 425 E CB -0.146 29.207 29.700 -0.579 0.000 0.743 425 E HN 0.560 nan 8.360 nan 0.000 0.453 426 D N 0.436 120.768 120.400 -0.114 0.000 2.104 426 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 426 D C 1.989 178.252 176.300 -0.062 0.000 0.994 426 D CA 0.754 54.703 54.000 -0.083 0.000 0.830 426 D CB -0.324 40.456 40.800 -0.033 0.000 0.959 426 D HN 0.187 nan 8.370 nan 0.000 0.452 427 L N 0.781 121.994 121.223 -0.016 0.000 2.056 427 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 427 L C 2.189 179.097 176.870 0.064 0.000 1.078 427 L CA 2.035 56.896 54.840 0.035 0.000 0.749 427 L CB -0.959 41.136 42.059 0.060 0.000 0.901 427 L HN 0.054 nan 8.230 nan 0.000 0.433 428 G N -1.129 107.670 108.800 -0.002 0.000 2.443 428 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.219 428 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.219 428 G C 1.762 176.636 174.900 -0.044 0.000 1.131 428 G CA 0.510 45.597 45.100 -0.021 0.000 0.775 428 G HN 0.378 nan 8.290 nan 0.000 0.547 429 R N 0.221 120.658 120.500 -0.104 0.000 2.200 429 R HA 0.305 4.645 4.340 -0.000 0.000 0.208 429 R C 1.487 177.752 176.300 -0.057 0.000 1.033 429 R CA 0.263 56.291 56.100 -0.118 0.000 1.000 429 R CB -0.012 30.178 30.300 -0.184 0.000 0.906 429 R HN 0.296 nan 8.270 nan 0.000 0.462 430 A N 2.812 125.609 122.820 -0.037 0.000 2.531 430 A HA 0.168 4.488 4.320 -0.000 0.000 0.236 430 A C -2.156 175.346 177.584 -0.136 0.000 1.062 430 A CA -1.046 50.922 52.037 -0.115 0.000 0.760 430 A CB -0.156 18.736 19.000 -0.179 0.000 0.995 430 A HN -0.038 nan 8.150 nan 0.000 0.501 431 P HA 0.220 nan 4.420 nan 0.000 0.265 431 P C -0.809 176.290 177.300 -0.335 0.000 1.193 431 P CA 0.811 63.825 63.100 -0.144 0.000 0.765 431 P CB 0.255 31.885 31.700 -0.116 0.000 0.823 432 H N 0.248 119.297 119.070 -0.035 0.000 2.667 432 H HA 0.559 5.115 4.556 -0.000 0.000 0.353 432 H C -0.193 175.128 175.328 -0.012 0.000 1.072 432 H CA -0.799 55.229 56.048 -0.033 0.000 1.214 432 H CB 1.434 31.167 29.762 -0.048 0.000 1.600 432 H HN 0.410 nan 8.280 nan 0.000 0.527 433 A N 2.193 125.064 122.820 0.085 0.000 2.540 433 A HA 0.113 4.433 4.320 -0.000 0.000 0.239 433 A C -0.372 177.263 177.584 0.085 0.000 1.061 433 A CA 0.419 52.493 52.037 0.062 0.000 0.758 433 A CB -0.375 18.640 19.000 0.025 0.000 0.991 433 A HN 0.848 nan 8.150 nan 0.000 0.502 434 H N 2.404 121.472 119.070 -0.003 0.000 2.469 434 H HA 0.641 5.197 4.556 -0.000 0.000 0.342 434 H C -2.418 172.902 175.328 -0.013 0.000 1.115 434 H CA -1.637 54.401 56.048 -0.017 0.000 1.204 434 H CB 1.233 30.984 29.762 -0.018 0.000 1.492 434 H HN 0.536 nan 8.280 nan 0.000 0.499 435 P HA 0.296 nan 4.420 nan 0.000 0.297 435 P C -1.541 175.596 177.300 -0.272 0.000 1.319 435 P CA -0.718 61.958 63.100 -0.707 0.000 0.810 435 P CB 1.583 32.835 31.700 -0.747 0.000 0.947 436 S N 1.256 116.842 115.700 -0.190 0.000 2.556 436 S HA 0.367 4.837 4.470 -0.000 0.000 0.271 436 S C 0.747 175.277 174.600 -0.116 0.000 1.135 436 S CA -0.919 57.217 58.200 -0.106 0.000 0.858 436 S CB 0.994 64.165 63.200 -0.048 0.000 1.114 436 S HN 0.189 nan 8.310 nan 0.000 0.468 437 L N 1.902 123.066 121.223 -0.098 0.000 2.265 437 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 437 L C 2.883 179.665 176.870 -0.147 0.000 1.117 437 L CA 1.426 56.178 54.840 -0.147 0.000 0.782 437 L CB -0.707 41.297 42.059 -0.092 0.000 0.914 437 L HN 0.971 nan 8.230 nan 0.000 0.441 438 S N -0.468 115.181 115.700 -0.085 0.000 2.419 438 S HA -0.215 4.254 4.470 -0.000 0.000 0.233 438 S C 1.606 176.058 174.600 -0.247 0.000 1.016 438 S CA 1.133 59.285 58.200 -0.080 0.000 0.974 438 S CB -0.354 62.893 63.200 0.079 0.000 0.786 438 S HN 0.525 nan 8.310 nan 0.000 0.492 439 E N 1.065 121.127 120.200 -0.230 0.000 2.265 439 E HA -0.035 4.315 4.350 -0.000 0.000 0.196 439 E C 1.835 178.186 176.600 -0.415 0.000 0.996 439 E CA 1.194 57.398 56.400 -0.327 0.000 0.832 439 E CB -0.439 29.132 29.700 -0.215 0.000 0.756 439 E HN 0.647 nan 8.360 nan 0.000 0.491 440 I N 0.619 121.007 120.570 -0.303 0.000 2.226 440 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 440 I C 2.413 178.424 176.117 -0.176 0.000 1.100 440 I CA 0.575 61.753 61.300 -0.204 0.000 1.374 440 I CB -0.189 37.715 38.000 -0.159 0.000 1.057 440 I HN 0.154 nan 8.210 nan 0.000 0.413 441 L N 1.407 122.523 121.223 -0.179 0.000 2.017 441 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 441 L C 2.516 179.262 176.870 -0.207 0.000 1.073 441 L CA 1.921 56.685 54.840 -0.127 0.000 0.745 441 L CB -0.771 41.231 42.059 -0.095 0.000 0.894 441 L HN 0.128 nan 8.230 nan 0.000 0.432 442 K N -0.739 119.393 120.400 -0.446 0.000 2.020 442 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 442 K C 1.923 178.374 176.600 -0.248 0.000 1.050 442 K CA 1.932 57.949 56.287 -0.451 0.000 0.929 442 K CB -0.174 31.904 32.500 -0.704 0.000 0.714 442 K HN 0.404 nan 8.250 nan 0.000 0.443 443 E N 0.088 120.068 120.200 -0.368 0.000 2.107 443 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 443 E C 2.024 178.573 176.600 -0.086 0.000 0.982 443 E CA 1.025 57.209 56.400 -0.360 0.000 0.809 443 E CB -0.175 28.874 29.700 -1.086 0.000 0.756 443 E HN 0.477 nan 8.360 nan 0.000 0.459 444 A N 1.697 124.511 122.820 -0.011 0.000 1.933 444 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 444 A C 2.429 180.090 177.584 0.129 0.000 1.175 444 A CA 1.965 54.089 52.037 0.144 0.000 0.628 444 A CB -0.506 18.602 19.000 0.180 0.000 0.814 444 A HN 0.267 nan 8.150 nan 0.000 0.444 445 A N -0.243 122.626 122.820 0.082 0.000 1.873 445 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 445 A C 2.162 179.853 177.584 0.180 0.000 1.186 445 A CA 1.446 53.552 52.037 0.115 0.000 0.616 445 A CB -0.628 18.411 19.000 0.065 0.000 0.823 445 A HN 0.463 nan 8.150 nan 0.000 0.442 446 L N -0.723 120.595 121.223 0.159 0.000 2.079 446 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 446 L C 3.067 180.149 176.870 0.354 0.000 1.081 446 L CA 1.067 56.089 54.840 0.303 0.000 0.752 446 L CB -0.506 41.678 42.059 0.208 0.000 0.896 446 L HN 0.456 nan 8.230 nan 0.000 0.433 447 A N -0.160 122.791 122.820 0.219 0.000 1.930 447 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 447 A C 2.514 180.184 177.584 0.143 0.000 1.175 447 A CA 1.590 53.728 52.037 0.169 0.000 0.627 447 A CB -0.565 18.537 19.000 0.169 0.000 0.815 447 A HN 0.402 nan 8.150 nan 0.000 0.443 448 A N -1.164 121.766 122.820 0.182 0.000 1.898 448 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 448 A C 1.967 179.662 177.584 0.185 0.000 1.181 448 A CA 1.539 53.680 52.037 0.173 0.000 0.620 448 A CB -0.875 18.243 19.000 0.197 0.000 0.819 448 A HN 0.917 nan 8.150 nan 0.000 0.442 449 W N -0.099 121.241 121.300 0.066 0.000 2.353 449 W HA -0.074 4.586 4.660 -0.000 0.000 0.319 449 W C 1.827 178.373 176.519 0.046 0.000 1.207 449 W CA 2.251 59.631 57.345 0.058 0.000 1.291 449 W CB 0.052 29.542 29.460 0.050 0.000 1.159 449 W HN 0.422 nan 8.180 nan 0.000 0.478 450 E N -1.541 118.377 120.200 -0.470 0.000 3.769 450 E HA 0.127 4.477 4.350 -0.000 0.000 0.265 450 E C -0.438 175.980 176.600 -0.304 0.000 1.260 450 E CA -0.160 55.783 56.400 -0.761 0.000 1.835 450 E CB 0.273 28.922 29.700 -1.752 0.000 1.819 450 E HN 0.045 nan 8.360 nan 0.000 0.824 451 R N 1.154 121.562 120.500 -0.153 0.000 2.643 451 R HA 0.520 4.860 4.340 -0.000 0.000 0.269 451 R C -3.056 173.347 176.300 0.173 0.000 1.037 451 R CA -1.770 54.345 56.100 0.026 0.000 0.894 451 R CB 2.183 32.471 30.300 -0.021 0.000 1.238 451 R HN -0.051 nan 8.270 nan 0.000 0.459 452 P HA 0.219 nan 4.420 nan 0.000 0.279 452 P C 0.474 177.842 177.300 0.114 0.000 1.276 452 P CA -0.715 62.478 63.100 0.156 0.000 0.801 452 P CB 0.975 32.785 31.700 0.184 0.000 1.127 453 I N 0.094 120.709 120.570 0.075 0.000 2.480 453 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 453 I C 1.298 177.329 176.117 -0.143 0.000 1.124 453 I CA 1.482 62.747 61.300 -0.058 0.000 1.444 453 I CB -1.190 36.733 38.000 -0.128 0.000 1.098 453 I HN 0.424 nan 8.210 nan 0.000 0.428 454 H N -0.110 119.037 119.070 0.129 0.000 2.505 454 H HA 0.431 4.986 4.556 -0.000 0.000 0.289 454 H C 0.161 175.670 175.328 0.302 0.000 1.052 454 H CA -0.007 56.170 56.048 0.216 0.000 1.156 454 H CB 0.365 30.275 29.762 0.247 0.000 1.507 454 H HN 0.094 nan 8.280 nan 0.000 0.548 455 L N 0.000 121.399 121.223 0.293 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 455 L CA 0.000 54.949 54.840 0.181 0.000 0.813 455 L CB 0.000 42.169 42.059 0.182 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502