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 2pce_1_B DATA FIRST_RESID 1 DATA SEQUENCE LKITRIDIHR TDLPVRGGVY RLSGGREYHS YDATIVSIET DTGLTGWGES DATA SEQUENCE TPFGSTYIAA HAGGTRAALE LLAPAILGMD PRQHDRIWDR MRDTLKGHRD DATA SEQUENCE ARAALDIACW DIAAQAAGLP LCDMTGGRVA GPVPVISSIG GDTPEAMRAK DATA SEQUENCE VARHRAQGFK GHSIKIGASE AEGGPALDAE RITACLADRQ PGEWYLADAN DATA SEQUENCE NGLTVEHALR MLSLLPPGLD IVLEAPCASW AETKSLRARC ALPLLLDELI DATA SEQUENCE QTETDLIAAI RDDLCDGVGL KVSKQGGITP MLRQRAIAAA AGMVMSVQDT DATA SEQUENCE VGSQISFAAI LHLAQSTPRH LLRCALDTRA MTTAELAEID APLXDGGASA DATA SEQUENCE PSDPGLGLRV NRDALGTPVK TF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.846 176.870 -0.041 0.000 1.165 1 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 1 L CB 0.000 42.032 42.059 -0.045 0.000 0.961 2 K N 4.825 125.203 120.400 -0.037 0.000 2.501 2 K HA 0.643 4.963 4.320 -0.000 0.000 0.252 2 K C -1.250 175.330 176.600 -0.034 0.000 0.934 2 K CA -0.664 55.602 56.287 -0.035 0.000 0.797 2 K CB 1.715 34.199 32.500 -0.028 0.000 1.270 2 K HN 0.658 nan 8.250 nan 0.000 0.431 3 I N 3.820 124.369 120.570 -0.035 0.000 2.452 3 I HA 0.023 4.193 4.170 -0.000 0.000 0.287 3 I C 1.258 177.361 176.117 -0.024 0.000 1.079 3 I CA 0.210 61.490 61.300 -0.033 0.000 1.387 3 I CB 1.307 39.287 38.000 -0.034 0.000 1.404 3 I HN 0.843 nan 8.210 nan 0.000 0.522 4 T N 2.757 117.298 114.554 -0.021 0.000 2.969 4 T HA 0.216 4.566 4.350 -0.000 0.000 0.250 4 T C 0.628 175.328 174.700 -0.001 0.000 1.021 4 T CA -0.277 61.817 62.100 -0.011 0.000 1.003 4 T CB 0.393 69.253 68.868 -0.014 0.000 1.040 4 T HN 0.564 nan 8.240 nan 0.000 0.492 5 R N 0.319 120.816 120.500 -0.006 0.000 2.535 5 R HA 0.646 4.986 4.340 -0.000 0.000 0.274 5 R C -2.165 174.136 176.300 0.002 0.000 1.090 5 R CA -0.772 55.331 56.100 0.006 0.000 0.930 5 R CB 1.511 31.805 30.300 -0.010 0.000 1.223 5 R HN 0.286 nan 8.270 nan 0.000 0.441 6 I N 3.270 123.870 120.570 0.051 0.000 2.466 6 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 6 I C -0.906 175.247 176.117 0.059 0.000 1.026 6 I CA -0.927 60.406 61.300 0.056 0.000 1.078 6 I CB 2.173 40.233 38.000 0.100 0.000 1.249 6 I HN 0.414 nan 8.210 nan 0.000 0.429 7 D N 6.884 127.274 120.400 -0.018 0.000 2.217 7 D HA 0.462 5.102 4.640 -0.000 0.000 0.243 7 D C -0.454 175.740 176.300 -0.176 0.000 1.054 7 D CA -0.232 53.692 54.000 -0.126 0.000 0.838 7 D CB 2.578 43.291 40.800 -0.144 0.000 1.162 7 D HN 0.157 nan 8.370 nan 0.000 0.472 8 I N 2.973 123.407 120.570 -0.227 0.000 2.339 8 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 8 I C 0.415 176.364 176.117 -0.280 0.000 0.994 8 I CA -0.477 60.748 61.300 -0.124 0.000 1.191 8 I CB 0.875 38.890 38.000 0.024 0.000 1.343 8 I HN 0.222 nan 8.210 nan 0.000 0.458 9 H N 5.323 124.461 119.070 0.113 0.000 2.573 9 H HA 0.525 5.081 4.556 -0.000 0.000 0.351 9 H C -0.446 174.934 175.328 0.086 0.000 1.163 9 H CA -0.816 55.293 56.048 0.102 0.000 1.205 9 H CB 2.816 32.658 29.762 0.134 0.000 1.605 9 H HN 0.455 nan 8.280 nan 0.000 0.525 10 R N 1.322 121.936 120.500 0.189 0.000 2.439 10 R HA 0.343 4.683 4.340 -0.000 0.000 0.310 10 R C -1.201 175.167 176.300 0.113 0.000 0.955 10 R CA -0.365 55.812 56.100 0.128 0.000 0.853 10 R CB 1.516 31.868 30.300 0.087 0.000 1.171 10 R HN 0.680 nan 8.270 nan 0.000 0.449 11 T N 1.800 116.411 114.554 0.095 0.000 2.906 11 T HA 0.221 4.571 4.350 -0.000 0.000 0.295 11 T C -1.387 173.348 174.700 0.060 0.000 1.061 11 T CA -0.662 61.477 62.100 0.066 0.000 1.000 11 T CB 1.621 70.516 68.868 0.046 0.000 1.103 11 T HN 0.688 nan 8.240 nan 0.000 0.486 12 D N 2.113 122.540 120.400 0.046 0.000 2.210 12 D HA 0.465 5.105 4.640 -0.000 0.000 0.249 12 D C -0.506 175.818 176.300 0.040 0.000 1.078 12 D CA -0.376 53.649 54.000 0.042 0.000 0.875 12 D CB 0.606 41.420 40.800 0.025 0.000 1.175 12 D HN 0.389 nan 8.370 nan 0.000 0.440 13 L N 5.172 126.430 121.223 0.059 0.000 2.356 13 L HA 0.425 4.765 4.340 -0.000 0.000 0.264 13 L C -2.244 174.650 176.870 0.040 0.000 1.029 13 L CA -2.062 52.823 54.840 0.074 0.000 0.897 13 L CB 1.236 43.379 42.059 0.139 0.000 1.256 13 L HN 0.243 nan 8.230 nan 0.000 0.444 14 P HA 0.019 nan 4.420 nan 0.000 0.268 14 P C 0.078 177.355 177.300 -0.039 0.000 1.205 14 P CA -0.172 62.903 63.100 -0.042 0.000 0.771 14 P CB 0.750 32.441 31.700 -0.015 0.000 0.858 15 V N 3.947 123.793 119.914 -0.114 0.000 2.673 15 V HA -0.033 4.087 4.120 -0.000 0.000 0.303 15 V C 1.218 177.324 176.094 0.019 0.000 1.046 15 V CA 0.344 62.618 62.300 -0.044 0.000 1.126 15 V CB -0.245 31.520 31.823 -0.097 0.000 0.934 15 V HN 0.491 nan 8.190 nan 0.000 0.487 16 R N 3.357 123.893 120.500 0.060 0.000 2.196 16 R HA 0.548 4.888 4.340 -0.000 0.000 0.340 16 R C 0.550 176.885 176.300 0.059 0.000 1.043 16 R CA 0.819 56.947 56.100 0.046 0.000 0.883 16 R CB 0.283 30.607 30.300 0.040 0.000 1.078 16 R HN 1.099 nan 8.270 nan 0.000 0.462 17 G N 2.654 111.479 108.800 0.041 0.000 2.445 17 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.212 17 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.212 17 G C -0.165 174.758 174.900 0.039 0.000 1.217 17 G CA -0.582 44.544 45.100 0.044 0.000 1.002 17 G HN 0.861 nan 8.290 nan 0.000 0.574 18 G N -0.784 108.045 108.800 0.048 0.000 2.503 18 G HA2 0.603 4.563 3.960 -0.000 0.000 0.257 18 G HA3 0.603 4.563 3.960 -0.000 0.000 0.257 18 G C 0.466 175.386 174.900 0.033 0.000 1.214 18 G CA 0.442 45.558 45.100 0.026 0.000 0.839 18 G HN 1.434 nan 8.290 nan 0.000 0.559 19 V N 1.530 121.417 119.914 -0.045 0.000 2.617 19 V HA -0.072 4.048 4.120 -0.000 0.000 0.304 19 V C -0.047 176.080 176.094 0.054 0.000 1.040 19 V CA 0.329 62.561 62.300 -0.113 0.000 1.149 19 V CB 0.159 31.767 31.823 -0.360 0.000 0.914 19 V HN 0.568 nan 8.190 nan 0.000 0.487 20 Y N 6.610 126.945 120.300 0.058 0.000 2.425 20 Y HA 0.419 4.969 4.550 -0.000 0.000 0.347 20 Y C 0.808 176.876 175.900 0.280 0.000 0.976 20 Y CA -0.509 57.721 58.100 0.216 0.000 1.190 20 Y CB 0.379 39.073 38.460 0.389 0.000 1.136 20 Y HN 0.568 nan 8.280 nan 0.000 0.517 21 R N 6.965 127.473 120.500 0.013 0.000 2.346 21 R HA 0.521 4.861 4.340 -0.000 0.000 0.311 21 R C -1.023 175.309 176.300 0.053 0.000 0.983 21 R CA -0.682 55.453 56.100 0.059 0.000 0.880 21 R CB 1.404 31.691 30.300 -0.022 0.000 1.100 21 R HN 0.640 nan 8.270 nan 0.000 0.453 22 L N 0.880 122.240 121.223 0.227 0.000 2.335 22 L HA 0.407 4.747 4.340 -0.000 0.000 0.268 22 L C 0.669 177.605 176.870 0.109 0.000 1.016 22 L CA -1.012 53.947 54.840 0.198 0.000 0.805 22 L CB 1.827 44.112 42.059 0.377 0.000 1.311 22 L HN 0.720 nan 8.230 nan 0.000 0.456 23 S N -0.713 115.034 115.700 0.079 0.000 2.573 23 S HA 0.351 4.821 4.470 -0.000 0.000 0.277 23 S C 0.860 175.488 174.600 0.047 0.000 1.346 23 S CA 0.073 58.294 58.200 0.034 0.000 1.034 23 S CB 1.006 64.204 63.200 -0.003 0.000 0.879 23 S HN 1.093 nan 8.310 nan 0.000 0.528 24 G N 0.650 109.462 108.800 0.021 0.000 2.147 24 G HA2 0.205 4.165 3.960 -0.000 0.000 0.244 24 G HA3 0.205 4.165 3.960 -0.000 0.000 0.244 24 G C 1.050 175.963 174.900 0.022 0.000 1.005 24 G CA 0.348 45.461 45.100 0.021 0.000 0.713 24 G HN 2.433 nan 8.290 nan 0.000 0.515 25 G N -1.364 107.447 108.800 0.017 0.000 2.160 25 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.251 25 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.251 25 G C 0.363 175.254 174.900 -0.014 0.000 1.008 25 G CA 0.908 46.010 45.100 0.003 0.000 0.724 25 G HN 1.041 nan 8.290 nan 0.000 0.514 26 R N 0.213 120.717 120.500 0.006 0.000 2.390 26 R HA 0.598 4.938 4.340 -0.000 0.000 0.291 26 R C 0.087 176.286 176.300 -0.168 0.000 1.070 26 R CA 0.001 56.062 56.100 -0.065 0.000 1.014 26 R CB 0.917 31.283 30.300 0.111 0.000 1.007 26 R HN 0.443 nan 8.270 nan 0.000 0.466 27 E N 1.811 121.712 120.200 -0.499 0.000 2.331 27 E HA 0.339 4.689 4.350 -0.000 0.000 0.275 27 E C -1.656 174.554 176.600 -0.650 0.000 0.895 27 E CA -0.748 55.427 56.400 -0.375 0.000 0.753 27 E CB 2.044 31.668 29.700 -0.127 0.000 1.216 27 E HN 0.391 nan 8.360 nan 0.000 0.434 28 Y N 0.517 120.841 120.300 0.040 0.000 2.479 28 Y HA 0.324 4.874 4.550 -0.000 0.000 0.338 28 Y C 0.504 176.264 175.900 -0.234 0.000 1.055 28 Y CA -0.665 57.397 58.100 -0.064 0.000 1.023 28 Y CB 1.597 39.956 38.460 -0.168 0.000 1.287 28 Y HN 0.608 nan 8.280 nan 0.000 0.447 29 H N 0.469 119.474 119.070 -0.109 0.000 2.927 29 H HA 0.284 4.840 4.556 -0.000 0.000 0.255 29 H C 0.020 175.188 175.328 -0.266 0.000 0.974 29 H CA 0.598 56.560 56.048 -0.144 0.000 1.199 29 H CB 1.445 31.156 29.762 -0.084 0.000 1.447 29 H HN 0.533 nan 8.280 nan 0.000 0.467 30 S N -0.258 115.271 115.700 -0.284 0.000 2.588 30 S HA 0.469 4.939 4.470 -0.000 0.000 0.269 30 S C -1.715 172.557 174.600 -0.547 0.000 1.157 30 S CA -0.909 57.032 58.200 -0.431 0.000 0.824 30 S CB 1.687 64.795 63.200 -0.153 0.000 1.126 30 S HN 0.127 nan 8.310 nan 0.000 0.464 31 Y N 0.465 120.732 120.300 -0.054 0.000 2.429 31 Y HA 0.555 5.105 4.550 -0.000 0.000 0.342 31 Y C -0.067 175.815 175.900 -0.030 0.000 1.004 31 Y CA -0.868 57.181 58.100 -0.086 0.000 1.075 31 Y CB 1.232 39.602 38.460 -0.150 0.000 1.214 31 Y HN 0.707 nan 8.280 nan 0.000 0.455 32 D N 2.481 122.968 120.400 0.144 0.000 2.380 32 D HA 0.422 5.062 4.640 -0.000 0.000 0.230 32 D C -0.748 175.612 176.300 0.099 0.000 1.154 32 D CA -0.000 54.061 54.000 0.101 0.000 0.859 32 D CB 0.709 41.564 40.800 0.091 0.000 1.045 32 D HN 0.679 nan 8.370 nan 0.000 0.495 33 A N 3.271 126.147 122.820 0.093 0.000 2.306 33 A HA 0.597 4.917 4.320 -0.000 0.000 0.314 33 A C 0.063 177.704 177.584 0.096 0.000 1.164 33 A CA -0.539 51.550 52.037 0.088 0.000 0.822 33 A CB 0.925 19.974 19.000 0.081 0.000 1.130 33 A HN 0.475 nan 8.150 nan 0.000 0.496 34 T N 2.569 117.184 114.554 0.101 0.000 2.770 34 T HA 0.553 4.903 4.350 -0.000 0.000 0.283 34 T C -0.550 174.244 174.700 0.158 0.000 0.988 34 T CA 0.166 62.339 62.100 0.123 0.000 0.957 34 T CB 0.227 69.155 68.868 0.101 0.000 0.930 34 T HN 0.390 nan 8.240 nan 0.000 0.443 35 I N 3.126 123.828 120.570 0.219 0.000 2.474 35 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 35 I C -0.479 175.882 176.117 0.406 0.000 1.005 35 I CA -0.775 60.699 61.300 0.289 0.000 1.113 35 I CB 2.091 40.238 38.000 0.245 0.000 1.289 35 I HN 0.299 nan 8.210 nan 0.000 0.436 36 V N 4.302 124.444 119.914 0.380 0.000 2.588 36 V HA 0.605 4.725 4.120 -0.000 0.000 0.304 36 V C -0.350 175.879 176.094 0.226 0.000 1.042 36 V CA -0.593 61.881 62.300 0.289 0.000 0.877 36 V CB 2.091 34.013 31.823 0.165 0.000 0.996 36 V HN 0.842 nan 8.190 nan 0.000 0.425 37 S N 5.425 121.130 115.700 0.009 0.000 2.549 37 S HA 0.834 5.304 4.470 -0.000 0.000 0.297 37 S C -0.805 173.634 174.600 -0.268 0.000 1.115 37 S CA -0.710 57.190 58.200 -0.500 0.000 1.059 37 S CB 1.750 64.312 63.200 -1.064 0.000 1.046 37 S HN 0.505 nan 8.310 nan 0.000 0.506 38 I N 1.660 122.052 120.570 -0.296 0.000 2.436 38 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 38 I C -0.165 175.848 176.117 -0.174 0.000 1.010 38 I CA -0.462 60.742 61.300 -0.161 0.000 1.098 38 I CB 1.967 39.914 38.000 -0.089 0.000 1.266 38 I HN 0.693 nan 8.210 nan 0.000 0.434 39 E N 4.056 124.186 120.200 -0.118 0.000 2.204 39 E HA 0.421 4.771 4.350 -0.000 0.000 0.276 39 E C -0.432 176.133 176.600 -0.059 0.000 0.974 39 E CA -0.537 55.809 56.400 -0.091 0.000 0.815 39 E CB 2.363 32.021 29.700 -0.069 0.000 1.119 39 E HN 0.646 nan 8.360 nan 0.000 0.393 40 T N -1.590 112.933 114.554 -0.051 0.000 2.937 40 T HA 0.132 4.482 4.350 -0.000 0.000 0.283 40 T C 0.736 175.419 174.700 -0.028 0.000 1.012 40 T CA -0.763 61.314 62.100 -0.038 0.000 0.997 40 T CB 1.052 69.897 68.868 -0.038 0.000 1.136 40 T HN 0.430 nan 8.240 nan 0.000 0.551 41 D N -0.348 120.038 120.400 -0.024 0.000 2.363 41 D HA -0.060 4.580 4.640 -0.000 0.000 0.220 41 D C 1.646 177.936 176.300 -0.016 0.000 0.994 41 D CA 0.984 54.973 54.000 -0.018 0.000 0.890 41 D CB -0.802 39.988 40.800 -0.017 0.000 0.906 41 D HN 0.711 nan 8.370 nan 0.000 0.530 42 T N -4.420 110.124 114.554 -0.018 0.000 3.107 42 T HA 0.409 4.759 4.350 -0.000 0.000 0.249 42 T C 1.693 176.387 174.700 -0.010 0.000 1.096 42 T CA 0.119 62.211 62.100 -0.013 0.000 1.012 42 T CB 0.019 68.878 68.868 -0.015 0.000 0.977 42 T HN 0.342 nan 8.240 nan 0.000 0.527 43 G N 1.253 110.046 108.800 -0.013 0.000 2.143 43 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.249 43 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.249 43 G C -0.104 174.791 174.900 -0.010 0.000 0.981 43 G CA -0.022 45.073 45.100 -0.009 0.000 0.665 43 G HN 0.605 nan 8.290 nan 0.000 0.528 44 L N 0.870 122.082 121.223 -0.018 0.000 2.371 44 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 44 L C 0.551 177.393 176.870 -0.047 0.000 1.124 44 L CA -0.189 54.640 54.840 -0.019 0.000 0.816 44 L CB 1.450 43.498 42.059 -0.018 0.000 1.129 44 L HN 0.116 nan 8.230 nan 0.000 0.448 45 T N 1.381 115.903 114.554 -0.054 0.000 2.841 45 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 45 T C 0.005 174.591 174.700 -0.189 0.000 1.000 45 T CA -0.566 61.439 62.100 -0.159 0.000 0.977 45 T CB 1.753 70.513 68.868 -0.180 0.000 0.979 45 T HN 0.746 nan 8.240 nan 0.000 0.446 46 G N 1.445 110.063 108.800 -0.303 0.000 2.452 46 G HA2 0.646 4.605 3.960 -0.000 0.000 0.324 46 G HA3 0.646 4.605 3.960 -0.000 0.000 0.324 46 G C -1.805 172.857 174.900 -0.397 0.000 1.214 46 G CA -0.758 44.221 45.100 -0.203 0.000 0.947 46 G HN 0.653 nan 8.290 nan 0.000 0.478 47 W N 0.227 121.573 121.300 0.076 0.000 2.736 47 W HA 0.668 5.328 4.660 -0.000 0.000 0.335 47 W C 0.280 176.852 176.519 0.088 0.000 1.059 47 W CA -0.601 56.793 57.345 0.080 0.000 1.226 47 W CB 3.073 32.571 29.460 0.064 0.000 1.416 47 W HN 0.835 nan 8.180 nan 0.000 0.505 48 G N 1.313 110.327 108.800 0.357 0.000 2.696 48 G HA2 0.548 4.507 3.960 -0.000 0.000 0.295 48 G HA3 0.548 4.507 3.960 -0.000 0.000 0.295 48 G C -2.147 172.893 174.900 0.234 0.000 1.398 48 G CA -0.698 44.551 45.100 0.249 0.000 0.920 48 G HN 0.392 nan 8.290 nan 0.000 0.492 49 E N -0.209 120.096 120.200 0.174 0.000 2.238 49 E HA 0.652 5.002 4.350 -0.000 0.000 0.267 49 E C -1.272 175.396 176.600 0.115 0.000 0.887 49 E CA -0.758 55.728 56.400 0.144 0.000 0.769 49 E CB 2.073 31.841 29.700 0.113 0.000 1.187 49 E HN 0.386 nan 8.360 nan 0.000 0.416 50 S N 2.439 118.203 115.700 0.107 0.000 2.672 50 S HA 0.382 4.852 4.470 -0.000 0.000 0.291 50 S C -1.402 173.243 174.600 0.075 0.000 1.145 50 S CA -0.478 57.775 58.200 0.089 0.000 1.013 50 S CB 1.414 64.671 63.200 0.096 0.000 1.017 50 S HN 0.501 nan 8.310 nan 0.000 0.487 51 T N 4.798 119.384 114.554 0.053 0.000 2.930 51 T HA 0.613 4.963 4.350 -0.000 0.000 0.313 51 T C -3.120 171.595 174.700 0.026 0.000 1.019 51 T CA -1.850 60.274 62.100 0.040 0.000 1.004 51 T CB 1.106 69.993 68.868 0.032 0.000 0.987 51 T HN 0.349 nan 8.240 nan 0.000 0.456 52 P HA 0.173 nan 4.420 nan 0.000 0.268 52 P C -0.626 176.701 177.300 0.045 0.000 1.205 52 P CA -0.433 62.728 63.100 0.101 0.000 0.771 52 P CB 0.160 31.948 31.700 0.146 0.000 0.858 53 F N 3.774 123.648 119.950 -0.127 0.000 2.613 53 F HA 0.272 4.799 4.527 -0.000 0.000 0.341 53 F C 1.482 177.204 175.800 -0.130 0.000 1.288 53 F CA 0.948 58.758 58.000 -0.318 0.000 1.103 53 F CB -1.107 37.545 39.000 -0.580 0.000 1.423 53 F HN 0.596 nan 8.300 nan 0.000 0.651 54 G N 3.485 112.157 108.800 -0.212 0.000 2.596 54 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.334 54 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.334 54 G C 0.859 175.912 174.900 0.255 0.000 1.351 54 G CA 0.741 45.944 45.100 0.171 0.000 0.965 54 G HN 1.252 nan 8.290 nan 0.000 0.533 55 S N -2.987 112.897 115.700 0.306 0.000 2.728 55 S HA 0.353 4.823 4.470 -0.000 0.000 0.257 55 S C 1.226 175.946 174.600 0.200 0.000 1.060 55 S CA 1.146 59.477 58.200 0.218 0.000 1.126 55 S CB 0.540 63.819 63.200 0.132 0.000 1.099 55 S HN 1.911 nan 8.310 nan 0.000 0.617 56 T N -2.181 112.548 114.554 0.293 0.000 3.144 56 T HA 0.286 4.636 4.350 -0.000 0.000 0.290 56 T C 0.838 175.728 174.700 0.317 0.000 0.966 56 T CA -0.228 62.023 62.100 0.253 0.000 0.907 56 T CB -0.399 68.610 68.868 0.235 0.000 1.152 56 T HN 0.258 nan 8.240 nan 0.000 0.532 57 Y N 3.306 123.752 120.300 0.244 0.000 2.201 57 Y HA 0.450 5.000 4.550 -0.000 0.000 0.292 57 Y C 0.539 176.501 175.900 0.104 0.000 1.119 57 Y CA 0.098 58.316 58.100 0.195 0.000 1.127 57 Y CB 0.160 38.753 38.460 0.222 0.000 1.019 57 Y HN 0.481 nan 8.280 nan 0.000 0.514 58 I N -2.735 117.777 120.570 -0.097 0.000 3.343 58 I HA 0.707 4.877 4.170 -0.000 0.000 0.315 58 I C -0.233 175.891 176.117 0.011 0.000 1.153 58 I CA -1.466 59.738 61.300 -0.160 0.000 0.952 58 I CB 1.535 39.393 38.000 -0.236 0.000 1.287 58 I HN -0.110 nan 8.210 nan 0.000 0.472 59 A N 1.821 124.638 122.820 -0.005 0.000 3.030 59 A HA 0.714 5.034 4.320 -0.000 0.000 0.273 59 A C 0.183 177.799 177.584 0.053 0.000 1.841 59 A CA 0.445 52.495 52.037 0.023 0.000 1.479 59 A CB -1.722 17.273 19.000 -0.008 0.000 1.048 59 A HN 1.185 nan 8.150 nan 0.000 0.612 60 A N 1.778 124.678 122.820 0.132 0.000 2.594 60 A HA 0.755 5.075 4.320 -0.000 0.000 0.296 60 A C -0.812 176.947 177.584 0.292 0.000 1.056 60 A CA -0.363 51.781 52.037 0.178 0.000 0.693 60 A CB 0.781 19.855 19.000 0.123 0.000 1.278 60 A HN 1.557 nan 8.150 nan 0.000 0.408 61 H N -1.710 117.416 119.070 0.093 0.000 3.064 61 H HA 0.743 5.299 4.556 -0.000 0.000 0.352 61 H C 0.615 176.000 175.328 0.095 0.000 1.260 61 H CA -0.342 55.765 56.048 0.099 0.000 1.160 61 H CB 1.473 31.291 29.762 0.094 0.000 1.879 61 H HN 1.013 nan 8.280 nan 0.000 0.544 62 A N 1.822 124.662 122.820 0.034 0.000 1.940 62 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 62 A C 2.303 179.817 177.584 -0.117 0.000 1.176 62 A CA 1.989 54.017 52.037 -0.014 0.000 0.631 62 A CB -1.497 17.538 19.000 0.058 0.000 0.814 62 A HN 0.951 nan 8.150 nan 0.000 0.446 63 G N -0.885 107.805 108.800 -0.183 0.000 2.432 63 G HA2 0.063 4.023 3.960 -0.000 0.000 0.219 63 G HA3 0.063 4.023 3.960 -0.000 0.000 0.219 63 G C 1.440 176.154 174.900 -0.310 0.000 1.135 63 G CA 1.209 46.210 45.100 -0.166 0.000 0.767 63 G HN 0.705 nan 8.290 nan 0.000 0.550 64 G N 0.246 108.555 108.800 -0.818 0.000 2.403 64 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.216 64 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.216 64 G C 1.823 176.655 174.900 -0.114 0.000 1.154 64 G CA 1.612 46.475 45.100 -0.395 0.000 0.784 64 G HN 0.361 nan 8.290 nan 0.000 0.538 65 T N 0.763 115.245 114.554 -0.119 0.000 2.708 65 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 65 T C 2.469 177.172 174.700 0.004 0.000 1.037 65 T CA 1.163 63.261 62.100 -0.003 0.000 1.146 65 T CB -0.134 68.743 68.868 0.015 0.000 0.865 65 T HN 0.229 nan 8.240 nan 0.000 0.435 66 R N 0.801 121.294 120.500 -0.012 0.000 2.075 66 R HA 0.118 4.458 4.340 -0.000 0.000 0.232 66 R C 2.876 179.185 176.300 0.016 0.000 1.126 66 R CA 1.094 57.205 56.100 0.018 0.000 0.963 66 R CB -0.462 29.852 30.300 0.024 0.000 0.858 66 R HN 0.366 nan 8.270 nan 0.000 0.435 67 A N 1.279 124.095 122.820 -0.005 0.000 1.940 67 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 67 A C 2.344 179.907 177.584 -0.034 0.000 1.176 67 A CA 1.779 53.815 52.037 -0.002 0.000 0.631 67 A CB -0.594 18.409 19.000 0.005 0.000 0.814 67 A HN 0.404 nan 8.150 nan 0.000 0.446 68 A N -0.391 122.397 122.820 -0.054 0.000 1.930 68 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 68 A C 2.096 179.621 177.584 -0.099 0.000 1.175 68 A CA 1.360 53.322 52.037 -0.126 0.000 0.627 68 A CB -0.565 18.374 19.000 -0.102 0.000 0.815 68 A HN 0.468 nan 8.150 nan 0.000 0.443 69 L N -0.296 120.902 121.223 -0.042 0.000 2.191 69 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 69 L C 2.329 179.136 176.870 -0.106 0.000 1.103 69 L CA 0.907 55.719 54.840 -0.047 0.000 0.769 69 L CB -0.427 41.649 42.059 0.029 0.000 0.908 69 L HN 0.385 nan 8.230 nan 0.000 0.438 70 E N 0.032 120.213 120.200 -0.031 0.000 2.265 70 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 70 E C 2.139 178.643 176.600 -0.160 0.000 0.996 70 E CA 1.035 57.441 56.400 0.010 0.000 0.832 70 E CB 0.117 29.868 29.700 0.086 0.000 0.756 70 E HN 0.570 nan 8.360 nan 0.000 0.491 71 L N -0.500 120.618 121.223 -0.174 0.000 2.286 71 L HA 0.057 4.397 4.340 -0.000 0.000 0.203 71 L C 2.446 179.174 176.870 -0.236 0.000 1.068 71 L CA 0.252 54.979 54.840 -0.187 0.000 0.811 71 L CB -0.269 41.696 42.059 -0.157 0.000 0.989 71 L HN 0.058 nan 8.230 nan 0.000 0.467 72 L N 0.155 121.243 121.223 -0.225 0.000 2.072 72 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 72 L C 2.877 179.596 176.870 -0.251 0.000 1.079 72 L CA 1.089 55.806 54.840 -0.205 0.000 0.752 72 L CB -0.590 41.379 42.059 -0.151 0.000 0.906 72 L HN 0.215 nan 8.230 nan 0.000 0.436 73 A N 0.801 123.403 122.820 -0.363 0.000 1.873 73 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 73 A C -0.106 177.191 177.584 -0.479 0.000 1.186 73 A CA 1.470 53.264 52.037 -0.405 0.000 0.616 73 A CB -1.790 16.931 19.000 -0.464 0.000 0.823 73 A HN 0.287 nan 8.150 nan 0.000 0.442 74 P HA -0.094 nan 4.420 nan 0.000 0.220 74 P C 1.527 178.699 177.300 -0.213 0.000 1.148 74 P CA 1.728 64.582 63.100 -0.411 0.000 0.803 74 P CB -0.198 31.273 31.700 -0.382 0.000 0.782 75 A N 0.797 123.491 122.820 -0.209 0.000 1.986 75 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 75 A C 2.080 179.601 177.584 -0.106 0.000 1.171 75 A CA 2.029 53.983 52.037 -0.138 0.000 0.640 75 A CB -1.493 17.424 19.000 -0.139 0.000 0.811 75 A HN 0.433 nan 8.150 nan 0.000 0.451 76 I N -3.739 116.765 120.570 -0.110 0.000 4.018 76 I HA 0.337 4.507 4.170 -0.000 0.000 0.337 76 I C -0.040 176.041 176.117 -0.060 0.000 1.327 76 I CA -0.489 60.767 61.300 -0.073 0.000 1.100 76 I CB -0.007 37.957 38.000 -0.059 0.000 1.025 76 I HN -0.026 nan 8.210 nan 0.000 0.396 77 L N 3.598 124.782 121.223 -0.065 0.000 2.601 77 L HA 0.114 4.454 4.340 -0.000 0.000 0.277 77 L C 1.454 178.305 176.870 -0.033 0.000 1.219 77 L CA 1.463 56.280 54.840 -0.038 0.000 0.915 77 L CB 0.061 42.106 42.059 -0.023 0.000 1.160 77 L HN 0.680 nan 8.230 nan 0.000 0.494 78 G N 2.598 111.381 108.800 -0.028 0.000 2.234 78 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.235 78 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.235 78 G C 0.300 175.180 174.900 -0.032 0.000 0.997 78 G CA -0.141 44.942 45.100 -0.027 0.000 0.623 78 G HN 0.472 nan 8.290 nan 0.000 0.514 79 M N 1.160 120.738 119.600 -0.037 0.000 2.241 79 M HA 0.324 4.804 4.480 -0.000 0.000 0.335 79 M C 0.141 176.412 176.300 -0.047 0.000 1.122 79 M CA -0.367 54.908 55.300 -0.041 0.000 1.164 79 M CB 0.465 33.041 32.600 -0.040 0.000 1.459 79 M HN 0.140 nan 8.290 nan 0.000 0.461 80 D N 3.933 124.300 120.400 -0.056 0.000 2.342 80 D HA 0.103 4.743 4.640 -0.000 0.000 0.260 80 D C -1.604 174.643 176.300 -0.087 0.000 1.278 80 D CA -1.889 52.070 54.000 -0.069 0.000 0.910 80 D CB 0.784 41.539 40.800 -0.075 0.000 1.079 80 D HN 0.256 nan 8.370 nan 0.000 0.496 81 P HA -0.086 nan 4.420 nan 0.000 0.231 81 P C 0.788 177.988 177.300 -0.167 0.000 1.158 81 P CA 0.524 63.565 63.100 -0.098 0.000 0.763 81 P CB 0.282 31.937 31.700 -0.075 0.000 0.805 82 R N -0.475 119.918 120.500 -0.178 0.000 2.275 82 R HA 0.077 4.417 4.340 -0.000 0.000 0.199 82 R C 1.241 177.341 176.300 -0.333 0.000 0.989 82 R CA 0.385 56.336 56.100 -0.248 0.000 1.016 82 R CB -0.149 30.041 30.300 -0.184 0.000 0.918 82 R HN 0.340 nan 8.270 nan 0.000 0.473 83 Q N 1.313 120.951 119.800 -0.270 0.000 3.006 83 Q HA 0.025 4.365 4.340 -0.000 0.000 0.260 83 Q C 0.584 176.405 176.000 -0.300 0.000 1.356 83 Q CA -0.232 55.383 55.803 -0.314 0.000 1.070 83 Q CB 0.407 29.037 28.738 -0.180 0.000 1.507 83 Q HN 0.554 nan 8.270 nan 0.000 0.568 84 H N -0.484 118.477 119.070 -0.181 0.000 2.387 84 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 84 H C 0.255 175.632 175.328 0.082 0.000 1.090 84 H CA 1.030 57.020 56.048 -0.097 0.000 1.332 84 H CB 0.328 29.975 29.762 -0.191 0.000 1.386 84 H HN 0.359 nan 8.280 nan 0.000 0.516 85 D N 0.652 121.100 120.400 0.079 0.000 2.183 85 D HA -0.052 4.588 4.640 -0.000 0.000 0.203 85 D C 2.364 178.763 176.300 0.166 0.000 0.969 85 D CA 0.463 54.577 54.000 0.189 0.000 0.842 85 D CB 0.020 40.892 40.800 0.120 0.000 0.957 85 D HN 0.282 nan 8.370 nan 0.000 0.484 86 R N 0.393 120.924 120.500 0.051 0.000 2.119 86 R HA 0.097 4.437 4.340 -0.000 0.000 0.222 86 R C 2.387 178.725 176.300 0.063 0.000 1.088 86 R CA 0.173 56.298 56.100 0.042 0.000 0.984 86 R CB -0.436 29.854 30.300 -0.017 0.000 0.884 86 R HN 0.299 nan 8.270 nan 0.000 0.447 87 I N -0.139 120.475 120.570 0.073 0.000 2.179 87 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 87 I C 2.457 178.661 176.117 0.146 0.000 1.088 87 I CA 1.266 62.617 61.300 0.085 0.000 1.357 87 I CB -0.580 37.471 38.000 0.085 0.000 1.051 87 I HN 0.309 nan 8.210 nan 0.000 0.409 88 W N 2.914 124.243 121.300 0.048 0.000 2.335 88 W HA -0.253 4.407 4.660 -0.000 0.000 0.311 88 W C 2.097 178.638 176.519 0.038 0.000 1.213 88 W CA 1.870 59.253 57.345 0.062 0.000 1.274 88 W CB -0.297 29.223 29.460 0.100 0.000 1.148 88 W HN 0.241 nan 8.180 nan 0.000 0.498 89 D N 0.084 120.595 120.400 0.186 0.000 2.116 89 D HA -0.243 4.397 4.640 -0.000 0.000 0.193 89 D C 2.014 178.291 176.300 -0.039 0.000 0.998 89 D CA 2.020 56.055 54.000 0.058 0.000 0.836 89 D CB -0.572 40.278 40.800 0.083 0.000 0.951 89 D HN 0.102 nan 8.370 nan 0.000 0.449 90 R N 0.404 120.886 120.500 -0.030 0.000 2.081 90 R HA -0.013 4.326 4.340 -0.000 0.000 0.235 90 R C 2.303 178.536 176.300 -0.111 0.000 1.131 90 R CA 1.133 57.197 56.100 -0.060 0.000 0.960 90 R CB -0.427 29.845 30.300 -0.047 0.000 0.856 90 R HN 0.165 nan 8.270 nan 0.000 0.436 91 M N -0.105 119.400 119.600 -0.158 0.000 2.086 91 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 91 M C 2.267 178.404 176.300 -0.270 0.000 1.067 91 M CA 1.968 57.128 55.300 -0.233 0.000 1.116 91 M CB -0.299 32.117 32.600 -0.306 0.000 1.348 91 M HN 0.128 nan 8.290 nan 0.000 0.407 92 R N 0.263 120.565 120.500 -0.329 0.000 2.096 92 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 92 R C 1.587 177.806 176.300 -0.136 0.000 1.127 92 R CA 1.279 57.230 56.100 -0.248 0.000 0.968 92 R CB -0.554 29.623 30.300 -0.205 0.000 0.861 92 R HN 0.372 nan 8.270 nan 0.000 0.440 93 D N -0.267 120.068 120.400 -0.109 0.000 2.263 93 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 93 D C 1.468 177.721 176.300 -0.078 0.000 0.971 93 D CA 1.245 55.202 54.000 -0.072 0.000 0.867 93 D CB -0.006 40.760 40.800 -0.056 0.000 0.929 93 D HN 0.218 nan 8.370 nan 0.000 0.492 94 T N -0.143 114.348 114.554 -0.104 0.000 3.010 94 T HA 0.121 4.471 4.350 -0.000 0.000 0.252 94 T C 0.582 175.215 174.700 -0.111 0.000 1.047 94 T CA 0.112 62.148 62.100 -0.106 0.000 1.140 94 T CB 0.587 69.380 68.868 -0.126 0.000 0.885 94 T HN -0.034 nan 8.240 nan 0.000 0.464 95 L N 0.880 122.030 121.223 -0.122 0.000 2.676 95 L HA 0.511 4.851 4.340 -0.000 0.000 0.262 95 L C -1.230 175.597 176.870 -0.071 0.000 0.932 95 L CA -0.857 53.912 54.840 -0.118 0.000 0.932 95 L CB 1.637 43.581 42.059 -0.192 0.000 1.355 95 L HN -0.250 nan 8.230 nan 0.000 0.421 96 K N 3.472 123.866 120.400 -0.011 0.000 2.401 96 K HA 0.616 4.936 4.320 -0.000 0.000 0.278 96 K C 0.833 177.519 176.600 0.143 0.000 1.018 96 K CA 1.423 57.730 56.287 0.034 0.000 0.981 96 K CB 0.470 32.996 32.500 0.043 0.000 0.933 96 K HN 1.062 nan 8.250 nan 0.000 0.477 97 G N 2.963 111.811 108.800 0.080 0.000 2.552 97 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.265 97 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.265 97 G C -0.662 174.328 174.900 0.150 0.000 1.234 97 G CA 0.248 45.396 45.100 0.080 0.000 0.944 97 G HN 1.039 nan 8.290 nan 0.000 0.568 98 H N -0.883 118.189 119.070 0.002 0.000 2.692 98 H HA -0.148 4.408 4.556 -0.000 0.000 0.316 98 H C 1.729 177.059 175.328 0.002 0.000 1.176 98 H CA 1.255 57.305 56.048 0.004 0.000 1.142 98 H CB -1.112 28.638 29.762 -0.019 0.000 1.475 98 H HN 0.652 nan 8.280 nan 0.000 0.423 99 R N 0.570 121.124 120.500 0.090 0.000 2.189 99 R HA -0.116 4.224 4.340 -0.000 0.000 0.223 99 R C 1.832 178.212 176.300 0.135 0.000 1.092 99 R CA 1.325 57.500 56.100 0.125 0.000 0.989 99 R CB 0.013 30.422 30.300 0.183 0.000 0.876 99 R HN 0.643 nan 8.270 nan 0.000 0.457 100 D N 0.776 121.243 120.400 0.112 0.000 2.123 100 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 100 D C 1.625 177.988 176.300 0.105 0.000 0.992 100 D CA 1.610 55.674 54.000 0.108 0.000 0.833 100 D CB -0.303 40.554 40.800 0.095 0.000 0.954 100 D HN 0.217 nan 8.370 nan 0.000 0.455 101 A N 0.898 123.779 122.820 0.101 0.000 1.929 101 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 101 A C 2.386 180.010 177.584 0.067 0.000 1.176 101 A CA 0.931 53.014 52.037 0.076 0.000 0.628 101 A CB -0.455 18.580 19.000 0.058 0.000 0.816 101 A HN 0.113 nan 8.150 nan 0.000 0.444 102 R N -0.237 120.300 120.500 0.061 0.000 2.105 102 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 102 R C 2.456 178.859 176.300 0.172 0.000 1.135 102 R CA 1.156 57.296 56.100 0.067 0.000 0.967 102 R CB -0.535 29.758 30.300 -0.012 0.000 0.861 102 R HN 0.513 nan 8.270 nan 0.000 0.442 103 A N 1.596 124.524 122.820 0.180 0.000 1.873 103 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 103 A C 2.438 180.120 177.584 0.163 0.000 1.193 103 A CA 2.014 54.161 52.037 0.183 0.000 0.629 103 A CB -0.818 18.268 19.000 0.144 0.000 0.826 103 A HN 0.417 nan 8.150 nan 0.000 0.447 104 A N -0.594 122.309 122.820 0.139 0.000 1.902 104 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 104 A C 2.206 179.876 177.584 0.143 0.000 1.181 104 A CA 1.557 53.679 52.037 0.142 0.000 0.623 104 A CB -0.583 18.497 19.000 0.134 0.000 0.818 104 A HN 0.489 nan 8.150 nan 0.000 0.443 105 L N -0.944 120.355 121.223 0.126 0.000 2.056 105 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 105 L C 2.391 179.355 176.870 0.158 0.000 1.078 105 L CA 1.859 56.765 54.840 0.110 0.000 0.749 105 L CB -0.554 41.547 42.059 0.071 0.000 0.901 105 L HN 0.520 nan 8.230 nan 0.000 0.433 106 D N 0.327 120.860 120.400 0.221 0.000 2.144 106 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 106 D C 2.176 178.691 176.300 0.359 0.000 0.978 106 D CA 0.981 55.175 54.000 0.324 0.000 0.833 106 D CB 0.109 41.155 40.800 0.409 0.000 0.961 106 D HN 0.221 nan 8.370 nan 0.000 0.470 107 I N 0.617 121.338 120.570 0.252 0.000 2.179 107 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 107 I C 2.528 178.784 176.117 0.230 0.000 1.088 107 I CA 1.112 62.544 61.300 0.221 0.000 1.357 107 I CB -0.388 37.703 38.000 0.152 0.000 1.051 107 I HN 0.064 nan 8.210 nan 0.000 0.409 108 A N -0.134 122.796 122.820 0.183 0.000 1.933 108 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 108 A C 2.447 180.089 177.584 0.097 0.000 1.175 108 A CA 1.843 53.954 52.037 0.124 0.000 0.628 108 A CB -1.245 17.791 19.000 0.059 0.000 0.814 108 A HN 0.559 nan 8.150 nan 0.000 0.444 109 C N -2.893 116.476 119.300 0.115 0.000 2.429 109 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 109 C C 2.358 177.373 174.990 0.041 0.000 1.262 109 C CA 0.627 59.673 59.018 0.048 0.000 1.733 109 C CB -1.730 26.027 27.740 0.029 0.000 2.010 109 C HN 0.837 nan 8.230 nan 0.000 0.483 110 W N 1.024 122.347 121.300 0.039 0.000 2.402 110 W HA -0.078 4.582 4.660 -0.000 0.000 0.286 110 W C 2.238 178.757 176.519 -0.001 0.000 1.221 110 W CA 1.622 58.979 57.345 0.019 0.000 1.257 110 W CB -0.519 28.937 29.460 -0.006 0.000 1.120 110 W HN 0.360 nan 8.180 nan 0.000 0.551 111 D N 0.293 120.822 120.400 0.215 0.000 2.084 111 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 111 D C 1.933 178.279 176.300 0.076 0.000 0.990 111 D CA 1.671 55.751 54.000 0.133 0.000 0.826 111 D CB -0.419 40.469 40.800 0.146 0.000 0.971 111 D HN 0.096 nan 8.370 nan 0.000 0.453 112 I N 0.850 121.446 120.570 0.042 0.000 2.091 112 I HA -0.328 3.842 4.170 -0.000 0.000 0.239 112 I C 2.608 178.718 176.117 -0.011 0.000 1.061 112 I CA 1.464 62.764 61.300 0.000 0.000 1.317 112 I CB -0.468 37.515 38.000 -0.029 0.000 1.031 112 I HN 0.032 nan 8.210 nan 0.000 0.401 113 A N 0.623 123.420 122.820 -0.037 0.000 1.927 113 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 113 A C 2.508 180.086 177.584 -0.009 0.000 1.185 113 A CA 2.421 54.417 52.037 -0.068 0.000 0.639 113 A CB -1.063 17.817 19.000 -0.199 0.000 0.820 113 A HN 0.498 nan 8.150 nan 0.000 0.451 114 A N -1.087 121.758 122.820 0.042 0.000 1.898 114 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 114 A C 2.132 179.728 177.584 0.019 0.000 1.181 114 A CA 1.626 53.690 52.037 0.044 0.000 0.620 114 A CB -0.575 18.450 19.000 0.041 0.000 0.819 114 A HN 0.665 nan 8.150 nan 0.000 0.442 115 Q N -0.606 119.206 119.800 0.020 0.000 2.061 115 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 115 Q C 2.343 178.348 176.000 0.009 0.000 0.984 115 Q CA 1.505 57.319 55.803 0.019 0.000 0.846 115 Q CB -0.414 28.339 28.738 0.026 0.000 0.902 115 Q HN 0.667 nan 8.270 nan 0.000 0.421 116 A N 0.534 123.353 122.820 -0.001 0.000 2.125 116 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 116 A C 1.981 179.561 177.584 -0.007 0.000 1.156 116 A CA 1.444 53.476 52.037 -0.009 0.000 0.671 116 A CB -0.334 18.652 19.000 -0.023 0.000 0.794 116 A HN 0.377 nan 8.150 nan 0.000 0.459 117 A N -1.873 120.946 122.820 -0.001 0.000 2.303 117 A HA 0.454 4.774 4.320 -0.000 0.000 0.217 117 A C 1.617 179.206 177.584 0.008 0.000 1.205 117 A CA 0.976 53.015 52.037 0.003 0.000 0.875 117 A CB -0.663 18.342 19.000 0.008 0.000 0.910 117 A HN 1.797 nan 8.150 nan 0.000 0.501 118 G N -0.409 108.397 108.800 0.010 0.000 2.295 118 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.287 118 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.287 118 G C -0.229 174.680 174.900 0.015 0.000 1.055 118 G CA 0.740 45.847 45.100 0.013 0.000 0.922 118 G HN 0.532 nan 8.290 nan 0.000 0.503 119 L N 0.180 121.412 121.223 0.014 0.000 2.422 119 L HA 0.552 4.892 4.340 -0.000 0.000 0.264 119 L C -2.062 174.806 176.870 -0.002 0.000 0.984 119 L CA -2.648 52.201 54.840 0.014 0.000 0.819 119 L CB 2.889 44.960 42.059 0.020 0.000 1.330 119 L HN -0.099 nan 8.230 nan 0.000 0.410 120 P HA -0.000 nan 4.420 nan 0.000 0.269 120 P C 0.560 177.774 177.300 -0.144 0.000 1.209 120 P CA -0.375 62.698 63.100 -0.045 0.000 0.776 120 P CB 1.081 32.832 31.700 0.084 0.000 0.876 121 L N 4.375 125.318 121.223 -0.467 0.000 2.043 121 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 121 L C 2.459 179.254 176.870 -0.125 0.000 1.075 121 L CA 2.191 56.829 54.840 -0.337 0.000 0.752 121 L CB -1.460 40.305 42.059 -0.491 0.000 0.891 121 L HN 0.591 nan 8.230 nan 0.000 0.432 122 C N -1.900 117.423 119.300 0.038 0.000 2.403 122 C HA -0.139 4.321 4.460 -0.000 0.000 0.282 122 C C 2.008 177.017 174.990 0.031 0.000 1.297 122 C CA 0.756 59.831 59.018 0.095 0.000 1.785 122 C CB -1.571 26.270 27.740 0.169 0.000 1.963 122 C HN 0.569 nan 8.230 nan 0.000 0.507 123 D N 0.029 120.447 120.400 0.030 0.000 2.350 123 D HA 0.115 4.755 4.640 -0.000 0.000 0.213 123 D C 2.070 178.390 176.300 0.033 0.000 1.031 123 D CA 0.518 54.534 54.000 0.026 0.000 0.861 123 D CB -0.095 40.721 40.800 0.027 0.000 0.926 123 D HN 0.487 nan 8.370 nan 0.000 0.520 124 M N -0.019 119.607 119.600 0.043 0.000 2.514 124 M HA 0.013 4.493 4.480 -0.000 0.000 0.258 124 M C 1.122 177.487 176.300 0.108 0.000 1.119 124 M CA 0.859 56.224 55.300 0.109 0.000 1.111 124 M CB -0.264 32.448 32.600 0.187 0.000 1.390 124 M HN -0.056 nan 8.290 nan 0.000 0.475 125 T N -2.910 111.649 114.554 0.008 0.000 3.275 125 T HA 0.560 4.910 4.350 -0.000 0.000 0.265 125 T C 1.067 175.737 174.700 -0.051 0.000 0.978 125 T CA 0.355 62.410 62.100 -0.074 0.000 0.923 125 T CB 0.145 68.894 68.868 -0.198 0.000 1.126 125 T HN 0.515 nan 8.240 nan 0.000 0.538 126 G N -0.150 108.645 108.800 -0.008 0.000 2.352 126 G HA2 0.317 4.277 3.960 -0.000 0.000 0.204 126 G HA3 0.317 4.277 3.960 -0.000 0.000 0.204 126 G C 0.582 175.481 174.900 -0.002 0.000 1.004 126 G CA -0.161 44.934 45.100 -0.008 0.000 0.648 126 G HN 1.981 nan 8.290 nan 0.000 0.491 127 G N -0.632 108.166 108.800 -0.002 0.000 2.697 127 G HA2 0.396 4.356 3.960 -0.000 0.000 0.684 127 G HA3 0.396 4.356 3.960 -0.000 0.000 0.684 127 G C -0.389 174.508 174.900 -0.004 0.000 1.274 127 G CA 0.437 45.539 45.100 0.002 0.000 0.806 127 G HN 1.039 nan 8.290 nan 0.000 0.644 128 R N 0.731 121.232 120.500 0.002 0.000 2.538 128 R HA 0.342 4.682 4.340 -0.000 0.000 0.282 128 R C 0.298 176.590 176.300 -0.013 0.000 1.009 128 R CA -0.137 55.960 56.100 -0.005 0.000 1.063 128 R CB 0.347 30.647 30.300 0.001 0.000 0.945 128 R HN 0.445 nan 8.270 nan 0.000 0.414 129 V N 4.176 124.077 119.914 -0.023 0.000 2.567 129 V HA 0.332 4.452 4.120 -0.000 0.000 0.289 129 V C 0.402 176.480 176.094 -0.027 0.000 1.049 129 V CA -0.550 61.736 62.300 -0.024 0.000 0.969 129 V CB 1.418 33.223 31.823 -0.029 0.000 0.995 129 V HN 0.980 nan 8.190 nan 0.000 0.471 130 A N 3.635 126.442 122.820 -0.023 0.000 2.462 130 A HA 0.667 4.987 4.320 -0.000 0.000 0.243 130 A C 0.783 178.349 177.584 -0.030 0.000 1.076 130 A CA 0.657 52.680 52.037 -0.024 0.000 0.773 130 A CB -0.336 18.653 19.000 -0.019 0.000 1.010 130 A HN 2.198 nan 8.150 nan 0.000 0.493 131 G N 2.014 110.795 108.800 -0.032 0.000 2.690 131 G HA2 0.040 4.000 3.960 -0.000 0.000 0.686 131 G HA3 0.040 4.000 3.960 -0.000 0.000 0.686 131 G C -2.710 172.162 174.900 -0.047 0.000 1.277 131 G CA -0.411 44.667 45.100 -0.037 0.000 0.799 131 G HN 0.870 nan 8.290 nan 0.000 0.613 132 P HA 0.448 nan 4.420 nan 0.000 0.272 132 P C -0.012 177.249 177.300 -0.065 0.000 1.240 132 P CA -0.310 62.756 63.100 -0.058 0.000 0.791 132 P CB 1.106 32.773 31.700 -0.056 0.000 0.978 133 V N 3.636 123.508 119.914 -0.069 0.000 2.407 133 V HA 0.216 4.336 4.120 -0.000 0.000 0.278 133 V C -1.972 174.083 176.094 -0.064 0.000 1.037 133 V CA -1.806 60.449 62.300 -0.075 0.000 0.900 133 V CB 0.746 32.518 31.823 -0.085 0.000 0.983 133 V HN 0.551 nan 8.190 nan 0.000 0.459 134 P HA 0.144 nan 4.420 nan 0.000 0.268 134 P C -0.695 176.588 177.300 -0.028 0.000 1.205 134 P CA 0.169 63.226 63.100 -0.071 0.000 0.771 134 P CB 0.549 32.193 31.700 -0.094 0.000 0.858 135 V N 1.343 121.268 119.914 0.018 0.000 2.715 135 V HA 0.535 4.655 4.120 -0.000 0.000 0.310 135 V C -0.174 176.058 176.094 0.231 0.000 1.054 135 V CA -1.168 61.208 62.300 0.127 0.000 0.928 135 V CB 1.841 33.775 31.823 0.185 0.000 1.007 135 V HN 0.378 nan 8.190 nan 0.000 0.437 136 I N 3.720 124.396 120.570 0.176 0.000 2.371 136 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 136 I C 0.863 177.000 176.117 0.033 0.000 1.028 136 I CA 0.325 61.695 61.300 0.117 0.000 1.345 136 I CB 1.477 39.527 38.000 0.082 0.000 1.407 136 I HN 1.054 nan 8.210 nan 0.000 0.501 137 S N 5.559 121.184 115.700 -0.124 0.000 2.548 137 S HA 0.252 4.722 4.470 -0.000 0.000 0.277 137 S C -0.201 174.232 174.600 -0.278 0.000 1.315 137 S CA -0.453 57.498 58.200 -0.414 0.000 1.050 137 S CB 1.010 63.967 63.200 -0.405 0.000 0.918 137 S HN 0.659 nan 8.310 nan 0.000 0.497 138 S N 4.669 120.181 115.700 -0.314 0.000 2.437 138 S HA 0.603 5.073 4.470 -0.000 0.000 0.305 138 S C -0.735 173.738 174.600 -0.213 0.000 1.109 138 S CA -0.904 57.206 58.200 -0.150 0.000 1.099 138 S CB 0.159 63.366 63.200 0.011 0.000 1.004 138 S HN 0.676 nan 8.310 nan 0.000 0.475 139 I N 4.994 125.472 120.570 -0.152 0.000 2.405 139 I HA 0.334 4.504 4.170 -0.000 0.000 0.280 139 I C 1.151 177.191 176.117 -0.128 0.000 1.027 139 I CA -0.435 60.778 61.300 -0.145 0.000 1.161 139 I CB 0.345 38.266 38.000 -0.131 0.000 1.300 139 I HN 0.773 nan 8.210 nan 0.000 0.463 140 G N 3.977 112.691 108.800 -0.143 0.000 2.594 140 G HA2 0.361 4.321 3.960 -0.000 0.000 0.243 140 G HA3 0.361 4.321 3.960 -0.000 0.000 0.243 140 G C 0.523 175.320 174.900 -0.171 0.000 1.229 140 G CA -0.421 44.537 45.100 -0.236 0.000 0.843 140 G HN 0.740 nan 8.290 nan 0.000 0.578 141 G N 0.086 108.771 108.800 -0.190 0.000 2.248 141 G HA2 0.434 4.394 3.960 -0.000 0.000 0.260 141 G HA3 0.434 4.394 3.960 -0.000 0.000 0.260 141 G C -0.259 174.590 174.900 -0.084 0.000 1.214 141 G CA 0.158 45.191 45.100 -0.112 0.000 0.979 141 G HN 0.619 nan 8.290 nan 0.000 0.454 142 D N -0.117 120.246 120.400 -0.061 0.000 2.809 142 D HA 0.194 4.834 4.640 -0.000 0.000 0.336 142 D C 0.370 176.647 176.300 -0.037 0.000 1.367 142 D CA -0.259 53.714 54.000 -0.045 0.000 0.815 142 D CB 0.834 41.607 40.800 -0.045 0.000 1.381 142 D HN 0.542 nan 8.370 nan 0.000 0.471 143 T N -0.700 113.836 114.554 -0.030 0.000 2.903 143 T HA 0.189 4.539 4.350 -0.000 0.000 0.314 143 T C -1.846 172.835 174.700 -0.032 0.000 1.078 143 T CA -0.700 61.384 62.100 -0.027 0.000 1.114 143 T CB 0.923 69.778 68.868 -0.022 0.000 0.987 143 T HN 0.090 nan 8.240 nan 0.000 0.548 144 P HA -0.096 nan 4.420 nan 0.000 0.212 144 P C 1.473 178.750 177.300 -0.039 0.000 1.178 144 P CA 1.166 64.243 63.100 -0.040 0.000 0.915 144 P CB 0.004 31.681 31.700 -0.038 0.000 0.788 145 E N -0.215 119.966 120.200 -0.032 0.000 2.086 145 E HA -0.229 4.121 4.350 -0.000 0.000 0.200 145 E C 2.140 178.725 176.600 -0.024 0.000 1.012 145 E CA 1.849 58.233 56.400 -0.027 0.000 0.812 145 E CB -1.155 28.532 29.700 -0.021 0.000 0.743 145 E HN 0.154 nan 8.360 nan 0.000 0.453 146 A N 0.651 123.458 122.820 -0.023 0.000 1.892 146 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 146 A C 2.231 179.802 177.584 -0.022 0.000 1.188 146 A CA 1.976 54.002 52.037 -0.019 0.000 0.631 146 A CB -0.581 18.407 19.000 -0.019 0.000 0.822 146 A HN 0.193 nan 8.150 nan 0.000 0.447 147 M N -1.490 118.090 119.600 -0.034 0.000 2.086 147 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 147 M C 2.447 178.717 176.300 -0.050 0.000 1.067 147 M CA 1.986 57.259 55.300 -0.046 0.000 1.116 147 M CB -0.336 32.230 32.600 -0.058 0.000 1.348 147 M HN 0.525 nan 8.290 nan 0.000 0.407 148 R N 0.451 120.921 120.500 -0.051 0.000 2.105 148 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 148 R C 1.958 178.240 176.300 -0.031 0.000 1.135 148 R CA 1.663 57.730 56.100 -0.055 0.000 0.967 148 R CB -0.186 30.083 30.300 -0.052 0.000 0.861 148 R HN 0.376 nan 8.270 nan 0.000 0.442 149 A N 0.873 123.683 122.820 -0.016 0.000 1.930 149 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 149 A C 2.038 179.637 177.584 0.024 0.000 1.176 149 A CA 1.277 53.315 52.037 0.003 0.000 0.632 149 A CB -0.270 18.731 19.000 0.001 0.000 0.819 149 A HN 0.346 nan 8.150 nan 0.000 0.445 150 K N -0.286 120.132 120.400 0.029 0.000 2.148 150 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 150 K C 1.657 178.345 176.600 0.147 0.000 1.050 150 K CA 1.327 57.671 56.287 0.096 0.000 0.942 150 K CB -0.213 32.337 32.500 0.084 0.000 0.724 150 K HN 0.175 nan 8.250 nan 0.000 0.446 151 V N 1.092 121.006 119.914 -0.000 0.000 2.295 151 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 151 V C 2.345 178.446 176.094 0.011 0.000 1.049 151 V CA 1.958 64.191 62.300 -0.112 0.000 1.024 151 V CB -0.680 31.010 31.823 -0.223 0.000 0.648 151 V HN 0.517 nan 8.190 nan 0.000 0.447 152 A N -0.220 122.617 122.820 0.029 0.000 1.948 152 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 152 A C 2.347 179.983 177.584 0.085 0.000 1.177 152 A CA 2.084 54.156 52.037 0.058 0.000 0.636 152 A CB -0.494 18.527 19.000 0.034 0.000 0.815 152 A HN 0.536 nan 8.150 nan 0.000 0.449 153 R N -1.634 118.918 120.500 0.086 0.000 2.075 153 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 153 R C 2.178 178.532 176.300 0.090 0.000 1.140 153 R CA 1.786 57.922 56.100 0.060 0.000 0.928 153 R CB -0.671 29.636 30.300 0.011 0.000 0.834 153 R HN 0.689 nan 8.270 nan 0.000 0.429 154 H N -0.118 119.002 119.070 0.083 0.000 2.394 154 H HA -0.162 4.394 4.556 -0.000 0.000 0.297 154 H C 2.189 177.717 175.328 0.333 0.000 1.113 154 H CA 2.118 58.265 56.048 0.166 0.000 1.277 154 H CB -0.093 29.716 29.762 0.078 0.000 1.370 154 H HN 0.153 nan 8.280 nan 0.000 0.506 155 R N 0.632 121.361 120.500 0.382 0.000 2.070 155 R HA -0.146 4.194 4.340 -0.000 0.000 0.233 155 R C 2.445 178.869 176.300 0.205 0.000 1.137 155 R CA 1.274 57.559 56.100 0.309 0.000 0.945 155 R CB -0.413 30.026 30.300 0.230 0.000 0.845 155 R HN 0.334 nan 8.270 nan 0.000 0.430 156 A N 1.245 124.156 122.820 0.151 0.000 1.915 156 A HA -0.279 4.040 4.320 -0.000 0.000 0.220 156 A C 1.996 179.639 177.584 0.100 0.000 1.198 156 A CA 2.057 54.154 52.037 0.100 0.000 0.647 156 A CB -0.691 18.352 19.000 0.071 0.000 0.825 156 A HN 0.646 nan 8.150 nan 0.000 0.456 157 Q N -1.743 118.145 119.800 0.145 0.000 2.515 157 Q HA 0.288 4.628 4.340 -0.000 0.000 0.212 157 Q C 1.193 177.235 176.000 0.070 0.000 0.970 157 Q CA 0.465 56.349 55.803 0.135 0.000 0.941 157 Q CB -0.051 28.820 28.738 0.221 0.000 0.998 157 Q HN 0.999 nan 8.270 nan 0.000 0.518 158 G N 0.108 108.965 108.800 0.096 0.000 2.179 158 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 158 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 158 G C -0.152 174.708 174.900 -0.066 0.000 0.990 158 G CA -0.646 44.442 45.100 -0.019 0.000 0.646 158 G HN 0.280 nan 8.290 nan 0.000 0.517 159 F N 1.249 121.229 119.950 0.049 0.000 2.543 159 F HA 0.455 4.982 4.527 -0.000 0.000 0.375 159 F C 1.617 177.366 175.800 -0.086 0.000 1.075 159 F CA 0.625 58.621 58.000 -0.006 0.000 1.225 159 F CB 1.045 40.079 39.000 0.056 0.000 1.099 159 F HN -0.010 nan 8.300 nan 0.000 0.561 160 K N 1.726 122.118 120.400 -0.013 0.000 2.348 160 K HA 0.216 4.536 4.320 -0.000 0.000 0.194 160 K C 0.900 177.312 176.600 -0.313 0.000 1.052 160 K CA 0.205 56.434 56.287 -0.097 0.000 1.004 160 K CB 0.592 33.072 32.500 -0.034 0.000 0.873 160 K HN 0.683 nan 8.250 nan 0.000 0.523 161 G N 1.002 109.604 108.800 -0.329 0.000 2.372 161 G HA2 0.347 4.307 3.960 -0.000 0.000 0.323 161 G HA3 0.347 4.307 3.960 -0.000 0.000 0.323 161 G C -1.164 173.398 174.900 -0.563 0.000 1.152 161 G CA -0.441 44.479 45.100 -0.299 0.000 0.906 161 G HN 0.123 nan 8.290 nan 0.000 0.460 162 H N 0.890 119.864 119.070 -0.160 0.000 2.589 162 H HA 0.412 4.968 4.556 -0.000 0.000 0.351 162 H C -0.822 174.470 175.328 -0.059 0.000 1.074 162 H CA -0.576 55.390 56.048 -0.137 0.000 1.203 162 H CB 2.249 31.928 29.762 -0.137 0.000 1.558 162 H HN 0.452 nan 8.280 nan 0.000 0.522 163 S N 4.293 120.027 115.700 0.057 0.000 2.423 163 S HA 0.343 4.813 4.470 -0.000 0.000 0.317 163 S C 0.230 174.833 174.600 0.004 0.000 1.065 163 S CA -0.897 57.318 58.200 0.025 0.000 1.111 163 S CB -0.687 62.530 63.200 0.028 0.000 0.968 163 S HN 0.560 nan 8.310 nan 0.000 0.474 164 I N 3.037 123.609 120.570 0.003 0.000 2.339 164 I HA 0.597 4.767 4.170 -0.000 0.000 0.290 164 I C -0.449 175.643 176.117 -0.043 0.000 0.994 164 I CA -0.863 60.422 61.300 -0.024 0.000 1.191 164 I CB 1.150 39.142 38.000 -0.013 0.000 1.343 164 I HN 0.284 nan 8.210 nan 0.000 0.458 165 K N 8.385 128.748 120.400 -0.062 0.000 2.234 165 K HA 0.568 4.888 4.320 -0.000 0.000 0.282 165 K C -0.309 176.260 176.600 -0.053 0.000 1.039 165 K CA -0.347 55.903 56.287 -0.062 0.000 0.928 165 K CB 2.076 34.517 32.500 -0.098 0.000 1.039 165 K HN 0.825 nan 8.250 nan 0.000 0.470 166 I N -3.390 117.157 120.570 -0.040 0.000 3.145 166 I HA 0.770 4.940 4.170 -0.000 0.000 0.313 166 I C 0.046 176.141 176.117 -0.036 0.000 1.122 166 I CA -1.090 60.193 61.300 -0.028 0.000 0.987 166 I CB 2.497 40.486 38.000 -0.018 0.000 1.236 166 I HN 0.597 nan 8.210 nan 0.000 0.453 167 G N 1.924 110.708 108.800 -0.028 0.000 2.743 167 G HA2 0.369 4.329 3.960 -0.000 0.000 0.192 167 G HA3 0.369 4.329 3.960 -0.000 0.000 0.192 167 G C -0.466 174.421 174.900 -0.021 0.000 1.077 167 G CA -0.313 44.736 45.100 -0.084 0.000 0.956 167 G HN 1.130 nan 8.290 nan 0.000 0.556 168 A N 0.940 123.802 122.820 0.070 0.000 2.328 168 A HA 0.857 5.177 4.320 -0.000 0.000 0.284 168 A C 1.137 178.803 177.584 0.138 0.000 1.160 168 A CA 0.549 52.639 52.037 0.089 0.000 0.818 168 A CB 0.534 19.585 19.000 0.085 0.000 1.087 168 A HN 2.123 nan 8.150 nan 0.000 0.504 169 S N 1.917 117.662 115.700 0.074 0.000 2.606 169 S HA 0.128 4.598 4.470 -0.000 0.000 0.257 169 S C 0.725 175.368 174.600 0.071 0.000 1.327 169 S CA -0.038 58.209 58.200 0.077 0.000 0.984 169 S CB 0.450 63.674 63.200 0.040 0.000 0.941 169 S HN 0.670 nan 8.310 nan 0.000 0.576 170 E N 1.119 121.353 120.200 0.056 0.000 2.051 170 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 170 E C 2.498 179.104 176.600 0.011 0.000 0.991 170 E CA 1.503 57.917 56.400 0.023 0.000 0.799 170 E CB -1.262 28.447 29.700 0.016 0.000 0.748 170 E HN 0.793 nan 8.360 nan 0.000 0.449 171 A N 1.818 124.646 122.820 0.013 0.000 1.896 171 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 171 A C 1.949 179.536 177.584 0.005 0.000 1.206 171 A CA 2.236 54.277 52.037 0.007 0.000 0.647 171 A CB -0.755 18.250 19.000 0.008 0.000 0.828 171 A HN 0.313 nan 8.150 nan 0.000 0.455 172 E N -1.933 118.274 120.200 0.011 0.000 2.482 172 E HA 0.289 4.639 4.350 -0.000 0.000 0.196 172 E C 1.138 177.741 176.600 0.004 0.000 1.047 172 E CA 0.371 56.776 56.400 0.007 0.000 0.869 172 E CB -0.047 29.660 29.700 0.012 0.000 0.836 172 E HN 0.808 nan 8.360 nan 0.000 0.520 173 G N -0.121 108.680 108.800 0.001 0.000 2.425 173 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.177 173 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.177 173 G C 0.707 175.592 174.900 -0.025 0.000 0.999 173 G CA -0.319 44.774 45.100 -0.011 0.000 0.723 173 G HN 0.652 nan 8.290 nan 0.000 0.491 174 G N 0.897 109.693 108.800 -0.007 0.000 2.601 174 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.261 174 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.261 174 G C -0.513 174.278 174.900 -0.182 0.000 1.289 174 G CA 0.832 45.890 45.100 -0.069 0.000 0.920 174 G HN 0.743 nan 8.290 nan 0.000 0.571 175 P HA -0.085 nan 4.420 nan 0.000 0.218 175 P C 2.066 179.267 177.300 -0.165 0.000 1.148 175 P CA 3.126 65.947 63.100 -0.465 0.000 0.822 175 P CB -0.434 30.970 31.700 -0.493 0.000 0.784 176 A N 0.025 122.767 122.820 -0.130 0.000 1.883 176 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 176 A C 2.238 179.792 177.584 -0.051 0.000 1.186 176 A CA 1.792 53.784 52.037 -0.075 0.000 0.624 176 A CB -1.679 17.282 19.000 -0.064 0.000 0.822 176 A HN 0.185 nan 8.150 nan 0.000 0.444 177 L N 0.219 121.418 121.223 -0.040 0.000 2.017 177 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 177 L C 1.759 178.621 176.870 -0.012 0.000 1.073 177 L CA 2.611 57.438 54.840 -0.021 0.000 0.745 177 L CB -0.803 41.252 42.059 -0.007 0.000 0.894 177 L HN 0.374 nan 8.230 nan 0.000 0.432 178 D N -0.070 120.338 120.400 0.012 0.000 2.123 178 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 178 D C 2.153 178.449 176.300 -0.007 0.000 0.992 178 D CA 1.663 55.680 54.000 0.029 0.000 0.833 178 D CB -0.194 40.682 40.800 0.126 0.000 0.954 178 D HN 0.524 nan 8.370 nan 0.000 0.455 179 A N 1.028 123.834 122.820 -0.023 0.000 1.933 179 A HA -0.214 4.105 4.320 -0.000 0.000 0.218 179 A C 2.096 179.652 177.584 -0.047 0.000 1.175 179 A CA 1.492 53.506 52.037 -0.038 0.000 0.628 179 A CB -0.455 18.519 19.000 -0.045 0.000 0.814 179 A HN 0.223 nan 8.150 nan 0.000 0.444 180 E N -0.516 119.658 120.200 -0.044 0.000 2.028 180 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 180 E C 2.339 178.906 176.600 -0.054 0.000 0.988 180 E CA 1.014 57.386 56.400 -0.047 0.000 0.799 180 E CB -0.192 29.485 29.700 -0.039 0.000 0.755 180 E HN 0.536 nan 8.360 nan 0.000 0.447 181 R N 0.491 120.962 120.500 -0.049 0.000 2.112 181 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 181 R C 2.419 178.671 176.300 -0.080 0.000 1.137 181 R CA 1.552 57.618 56.100 -0.057 0.000 0.944 181 R CB -0.499 29.774 30.300 -0.046 0.000 0.857 181 R HN 0.213 nan 8.270 nan 0.000 0.435 182 I N 0.315 120.836 120.570 -0.081 0.000 2.133 182 I HA -0.284 3.886 4.170 -0.000 0.000 0.238 182 I C 2.719 178.748 176.117 -0.146 0.000 1.074 182 I CA 1.853 63.085 61.300 -0.113 0.000 1.342 182 I CB -0.693 37.250 38.000 -0.095 0.000 1.053 182 I HN 0.387 nan 8.210 nan 0.000 0.404 183 T N -0.275 114.210 114.554 -0.114 0.000 2.699 183 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 183 T C 1.954 176.581 174.700 -0.122 0.000 1.036 183 T CA 1.214 63.246 62.100 -0.114 0.000 1.147 183 T CB -0.729 68.090 68.868 -0.081 0.000 0.862 183 T HN 0.368 nan 8.240 nan 0.000 0.446 184 A N 1.192 123.950 122.820 -0.105 0.000 1.841 184 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 184 A C 2.810 180.317 177.584 -0.130 0.000 1.199 184 A CA 1.714 53.692 52.037 -0.097 0.000 0.621 184 A CB -1.524 17.431 19.000 -0.075 0.000 0.835 184 A HN 0.728 nan 8.150 nan 0.000 0.445 185 C N -0.410 118.797 119.300 -0.155 0.000 2.401 185 C HA -0.043 4.417 4.460 -0.000 0.000 0.286 185 C C 2.327 177.108 174.990 -0.349 0.000 1.332 185 C CA 0.947 59.846 59.018 -0.199 0.000 1.795 185 C CB -1.547 26.088 27.740 -0.175 0.000 1.922 185 C HN 0.556 nan 8.230 nan 0.000 0.520 186 L N 0.140 121.124 121.223 -0.400 0.000 2.554 186 L HA 0.107 4.446 4.340 -0.000 0.000 0.225 186 L C 2.680 179.408 176.870 -0.236 0.000 1.104 186 L CA 0.671 55.207 54.840 -0.507 0.000 0.866 186 L CB -0.691 41.084 42.059 -0.473 0.000 1.047 186 L HN 0.246 nan 8.230 nan 0.000 0.468 187 A N 1.462 124.188 122.820 -0.158 0.000 1.933 187 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 187 A C 1.299 178.852 177.584 -0.052 0.000 1.175 187 A CA 1.998 53.980 52.037 -0.091 0.000 0.628 187 A CB -0.529 18.426 19.000 -0.074 0.000 0.814 187 A HN 0.593 nan 8.150 nan 0.000 0.444 188 D N -1.678 118.700 120.400 -0.037 0.000 2.463 188 D HA 0.212 4.852 4.640 -0.000 0.000 0.224 188 D C 0.614 176.937 176.300 0.039 0.000 1.174 188 D CA -0.544 53.457 54.000 0.002 0.000 0.829 188 D CB -0.168 40.638 40.800 0.009 0.000 0.993 188 D HN 0.393 nan 8.370 nan 0.000 0.497 189 R N 1.242 121.768 120.500 0.044 0.000 2.640 189 R HA -0.004 4.336 4.340 -0.000 0.000 0.270 189 R C -0.305 176.070 176.300 0.125 0.000 1.024 189 R CA 0.307 56.489 56.100 0.136 0.000 1.085 189 R CB 0.465 30.850 30.300 0.142 0.000 0.963 189 R HN 0.105 nan 8.270 nan 0.000 0.426 190 Q N 3.294 123.187 119.800 0.156 0.000 2.297 190 Q HA 0.422 4.762 4.340 -0.000 0.000 0.269 190 Q C -2.270 173.802 176.000 0.120 0.000 1.051 190 Q CA -2.287 53.585 55.803 0.116 0.000 0.869 190 Q CB 1.233 30.032 28.738 0.101 0.000 1.346 190 Q HN 0.578 nan 8.270 nan 0.000 0.457 191 P HA 0.018 nan 4.420 nan 0.000 0.265 191 P C 0.522 177.870 177.300 0.080 0.000 1.187 191 P CA 1.246 64.394 63.100 0.080 0.000 0.766 191 P CB 0.247 31.981 31.700 0.057 0.000 0.820 192 G N 0.931 109.780 108.800 0.082 0.000 2.179 192 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 192 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 192 G C 0.020 174.968 174.900 0.080 0.000 0.977 192 G CA -0.228 44.913 45.100 0.070 0.000 0.641 192 G HN 0.571 nan 8.290 nan 0.000 0.533 193 E N -1.357 118.908 120.200 0.109 0.000 2.319 193 E HA 0.540 4.890 4.350 -0.000 0.000 0.268 193 E C -0.708 175.964 176.600 0.119 0.000 1.050 193 E CA -0.744 55.697 56.400 0.067 0.000 0.878 193 E CB 1.203 30.962 29.700 0.098 0.000 1.066 193 E HN 0.288 nan 8.360 nan 0.000 0.406 194 W N 2.678 123.826 121.300 -0.253 0.000 2.900 194 W HA 0.356 5.016 4.660 -0.000 0.000 0.336 194 W C -1.871 174.478 176.519 -0.284 0.000 1.064 194 W CA -0.408 56.849 57.345 -0.147 0.000 1.237 194 W CB 0.903 30.302 29.460 -0.101 0.000 1.391 194 W HN 0.426 nan 8.180 nan 0.000 0.468 195 Y N 5.744 125.750 120.300 -0.490 0.000 2.446 195 Y HA 0.664 5.214 4.550 -0.000 0.000 0.345 195 Y C -0.489 174.943 175.900 -0.780 0.000 0.984 195 Y CA -1.194 56.648 58.100 -0.431 0.000 1.058 195 Y CB 2.028 40.369 38.460 -0.197 0.000 1.220 195 Y HN 0.213 nan 8.280 nan 0.000 0.455 196 L N 2.680 123.678 121.223 -0.375 0.000 2.376 196 L HA 0.749 5.089 4.340 -0.000 0.000 0.275 196 L C -0.878 175.912 176.870 -0.132 0.000 0.987 196 L CA -0.901 53.725 54.840 -0.358 0.000 0.828 196 L CB 1.448 43.330 42.059 -0.294 0.000 1.249 196 L HN 0.834 nan 8.230 nan 0.000 0.409 197 A N 2.862 125.614 122.820 -0.113 0.000 2.279 197 A HA 0.358 4.678 4.320 -0.000 0.000 0.306 197 A C -0.708 176.845 177.584 -0.052 0.000 1.300 197 A CA -0.425 51.571 52.037 -0.068 0.000 0.925 197 A CB 0.303 19.263 19.000 -0.066 0.000 1.152 197 A HN 0.638 nan 8.150 nan 0.000 0.544 198 D N 2.936 123.313 120.400 -0.038 0.000 2.427 198 D HA 0.531 5.171 4.640 -0.000 0.000 0.226 198 D C 0.704 176.989 176.300 -0.025 0.000 1.076 198 D CA 0.223 54.208 54.000 -0.025 0.000 0.849 198 D CB 1.469 42.262 40.800 -0.013 0.000 1.052 198 D HN 0.398 nan 8.370 nan 0.000 0.515 199 A N 3.743 126.544 122.820 -0.030 0.000 2.238 199 A HA 0.098 4.418 4.320 -0.000 0.000 0.210 199 A C 0.805 178.376 177.584 -0.022 0.000 1.179 199 A CA -0.115 51.897 52.037 -0.043 0.000 0.827 199 A CB -0.646 18.312 19.000 -0.071 0.000 0.856 199 A HN 0.784 nan 8.150 nan 0.000 0.488 200 N N 0.664 119.367 118.700 0.006 0.000 2.705 200 N HA -0.234 4.506 4.740 -0.000 0.000 0.255 200 N C 0.040 175.556 175.510 0.010 0.000 1.008 200 N CA 0.814 53.894 53.050 0.050 0.000 0.742 200 N CB -1.744 36.810 38.487 0.111 0.000 0.906 200 N HN 0.716 nan 8.380 nan 0.000 0.541 201 N N -3.089 115.587 118.700 -0.040 0.000 2.753 201 N HA -0.210 4.530 4.740 -0.000 0.000 0.251 201 N C 0.833 176.304 175.510 -0.065 0.000 1.097 201 N CA 0.596 53.602 53.050 -0.073 0.000 0.786 201 N CB -0.883 37.547 38.487 -0.095 0.000 1.137 201 N HN 0.656 nan 8.380 nan 0.000 0.566 202 G N -0.278 108.483 108.800 -0.066 0.000 3.233 202 G HA2 0.354 4.314 3.960 -0.000 0.000 0.234 202 G HA3 0.354 4.314 3.960 -0.000 0.000 0.234 202 G C 0.358 175.174 174.900 -0.140 0.000 1.137 202 G CA -0.163 44.890 45.100 -0.078 0.000 0.763 202 G HN 0.136 nan 8.290 nan 0.000 0.549 203 L N 1.767 122.891 121.223 -0.166 0.000 2.343 203 L HA 0.436 4.776 4.340 -0.000 0.000 0.275 203 L C 0.927 177.732 176.870 -0.108 0.000 1.056 203 L CA -0.961 53.734 54.840 -0.241 0.000 0.804 203 L CB 1.486 43.387 42.059 -0.262 0.000 1.203 203 L HN 0.056 nan 8.230 nan 0.000 0.440 204 T N -1.520 113.000 114.554 -0.057 0.000 2.813 204 T HA 0.183 4.533 4.350 -0.000 0.000 0.297 204 T C 1.293 176.009 174.700 0.027 0.000 1.036 204 T CA -0.848 61.254 62.100 0.004 0.000 1.044 204 T CB 1.456 70.346 68.868 0.037 0.000 0.993 204 T HN 0.269 nan 8.240 nan 0.000 0.535 205 V N 1.070 120.998 119.914 0.023 0.000 2.287 205 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 205 V C 2.923 179.046 176.094 0.047 0.000 1.053 205 V CA 2.209 64.526 62.300 0.028 0.000 1.027 205 V CB -0.970 30.866 31.823 0.020 0.000 0.646 205 V HN 1.047 nan 8.190 nan 0.000 0.447 206 E N 0.044 120.274 120.200 0.049 0.000 2.070 206 E HA -0.331 4.019 4.350 -0.000 0.000 0.197 206 E C 2.170 178.817 176.600 0.077 0.000 1.004 206 E CA 2.367 58.797 56.400 0.048 0.000 0.805 206 E CB -0.295 29.428 29.700 0.038 0.000 0.744 206 E HN 0.846 nan 8.360 nan 0.000 0.451 207 H N -0.382 118.683 119.070 -0.008 0.000 2.290 207 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 207 H C 2.001 177.321 175.328 -0.014 0.000 1.087 207 H CA 2.184 58.225 56.048 -0.011 0.000 1.291 207 H CB -0.109 29.647 29.762 -0.011 0.000 1.369 207 H HN 0.245 nan 8.280 nan 0.000 0.492 208 A N 0.715 123.679 122.820 0.240 0.000 1.908 208 A HA -0.139 4.180 4.320 -0.000 0.000 0.218 208 A C 2.482 180.110 177.584 0.073 0.000 1.181 208 A CA 1.633 53.759 52.037 0.148 0.000 0.627 208 A CB -0.807 18.229 19.000 0.060 0.000 0.818 208 A HN 0.497 nan 8.150 nan 0.000 0.445 209 L N -1.501 119.750 121.223 0.046 0.000 2.156 209 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 209 L C 2.822 179.692 176.870 0.000 0.000 1.095 209 L CA 1.117 55.968 54.840 0.018 0.000 0.770 209 L CB -0.390 41.678 42.059 0.014 0.000 0.914 209 L HN 0.330 nan 8.230 nan 0.000 0.439 210 R N -0.497 119.995 120.500 -0.013 0.000 2.092 210 R HA -0.146 4.194 4.340 -0.000 0.000 0.231 210 R C 2.313 178.577 176.300 -0.060 0.000 1.119 210 R CA 1.388 57.458 56.100 -0.050 0.000 0.970 210 R CB -0.267 29.980 30.300 -0.088 0.000 0.864 210 R HN 0.304 nan 8.270 nan 0.000 0.440 211 M N 0.436 120.004 119.600 -0.053 0.000 2.067 211 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 211 M C 1.554 177.843 176.300 -0.018 0.000 1.069 211 M CA 1.651 56.931 55.300 -0.033 0.000 1.117 211 M CB -0.012 32.613 32.600 0.041 0.000 1.334 211 M HN 0.088 nan 8.290 nan 0.000 0.407 212 L N 0.101 121.321 121.223 -0.004 0.000 2.079 212 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 212 L C 2.783 179.643 176.870 -0.016 0.000 1.081 212 L CA 2.057 56.892 54.840 -0.009 0.000 0.752 212 L CB -1.464 40.594 42.059 -0.002 0.000 0.896 212 L HN 0.447 nan 8.230 nan 0.000 0.433 213 S N -1.199 114.490 115.700 -0.019 0.000 2.383 213 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 213 S C 1.974 176.558 174.600 -0.027 0.000 1.026 213 S CA 0.823 59.011 58.200 -0.021 0.000 0.981 213 S CB -0.114 63.074 63.200 -0.021 0.000 0.818 213 S HN 0.397 nan 8.310 nan 0.000 0.472 214 L N 1.012 122.214 121.223 -0.034 0.000 2.395 214 L HA 0.231 4.571 4.340 -0.000 0.000 0.218 214 L C 0.366 177.214 176.870 -0.037 0.000 1.130 214 L CA 0.085 54.902 54.840 -0.039 0.000 0.826 214 L CB -0.172 41.857 42.059 -0.050 0.000 0.941 214 L HN 0.271 nan 8.230 nan 0.000 0.451 215 L N 1.420 122.622 121.223 -0.035 0.000 2.426 215 L HA 0.167 4.507 4.340 -0.000 0.000 0.271 215 L C -1.688 175.161 176.870 -0.035 0.000 1.169 215 L CA -1.737 53.080 54.840 -0.038 0.000 0.836 215 L CB 0.086 42.121 42.059 -0.039 0.000 1.112 215 L HN -0.091 nan 8.230 nan 0.000 0.465 216 P HA 0.171 nan 4.420 nan 0.000 0.272 216 P C -2.532 174.749 177.300 -0.031 0.000 1.223 216 P CA -1.094 61.986 63.100 -0.034 0.000 0.784 216 P CB -0.228 31.448 31.700 -0.039 0.000 0.923 217 P HA 0.099 nan 4.420 nan 0.000 0.272 217 P C 0.713 178.000 177.300 -0.021 0.000 1.240 217 P CA 0.388 63.476 63.100 -0.020 0.000 0.791 217 P CB 0.106 31.798 31.700 -0.014 0.000 0.978 218 G N -0.337 108.453 108.800 -0.017 0.000 2.141 218 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.242 218 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.242 218 G C -0.122 174.767 174.900 -0.020 0.000 0.982 218 G CA -0.187 44.904 45.100 -0.014 0.000 0.662 218 G HN 0.453 nan 8.290 nan 0.000 0.527 219 L N 0.883 122.088 121.223 -0.030 0.000 2.312 219 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 219 L C -0.035 176.816 176.870 -0.032 0.000 1.070 219 L CA -0.787 54.026 54.840 -0.046 0.000 0.805 219 L CB 1.295 43.311 42.059 -0.071 0.000 1.174 219 L HN 0.122 nan 8.230 nan 0.000 0.434 220 D N 4.194 124.580 120.400 -0.024 0.000 2.441 220 D HA 0.411 5.051 4.640 -0.000 0.000 0.221 220 D C -1.048 175.230 176.300 -0.036 0.000 1.156 220 D CA -0.091 53.909 54.000 -0.000 0.000 0.896 220 D CB 0.597 41.427 40.800 0.050 0.000 1.028 220 D HN 0.274 nan 8.370 nan 0.000 0.509 221 I N 3.306 123.835 120.570 -0.068 0.000 2.752 221 I HA 0.354 4.524 4.170 -0.000 0.000 0.295 221 I C -1.544 174.492 176.117 -0.135 0.000 1.219 221 I CA -0.736 60.490 61.300 -0.123 0.000 1.030 221 I CB 2.231 40.163 38.000 -0.115 0.000 1.259 221 I HN 0.051 nan 8.210 nan 0.000 0.423 222 V N 7.072 126.848 119.914 -0.230 0.000 2.483 222 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 222 V C -0.561 175.456 176.094 -0.129 0.000 1.035 222 V CA -0.728 61.473 62.300 -0.164 0.000 0.896 222 V CB 1.516 33.221 31.823 -0.198 0.000 0.986 222 V HN 0.593 nan 8.190 nan 0.000 0.447 223 L N 4.687 125.873 121.223 -0.062 0.000 2.272 223 L HA 0.553 4.893 4.340 -0.000 0.000 0.289 223 L C -0.132 176.719 176.870 -0.030 0.000 1.032 223 L CA 0.226 55.037 54.840 -0.049 0.000 0.810 223 L CB 1.134 43.173 42.059 -0.033 0.000 1.205 223 L HN 0.819 nan 8.230 nan 0.000 0.422 224 E N 5.006 125.187 120.200 -0.032 0.000 2.166 224 E HA 0.577 4.927 4.350 -0.000 0.000 0.275 224 E C 0.031 176.614 176.600 -0.028 0.000 0.941 224 E CA -0.212 56.178 56.400 -0.016 0.000 0.784 224 E CB 1.279 30.980 29.700 0.000 0.000 1.115 224 E HN 1.019 nan 8.360 nan 0.000 0.399 225 A N 4.943 127.739 122.820 -0.040 0.000 2.519 225 A HA -0.114 4.206 4.320 -0.000 0.000 0.297 225 A C -1.904 175.639 177.584 -0.068 0.000 1.472 225 A CA 0.477 52.476 52.037 -0.063 0.000 0.739 225 A CB -1.359 17.618 19.000 -0.037 0.000 1.096 225 A HN 0.697 nan 8.150 nan 0.000 0.414 226 P HA 0.052 nan 4.420 nan 0.000 0.220 226 P C 0.555 177.806 177.300 -0.081 0.000 1.152 226 P CA 1.233 64.293 63.100 -0.067 0.000 0.812 226 P CB 0.024 31.695 31.700 -0.049 0.000 0.792 227 C N -1.389 117.854 119.300 -0.095 0.000 2.889 227 C HA 0.693 5.153 4.460 -0.000 0.000 0.307 227 C C 1.870 176.790 174.990 -0.117 0.000 1.251 227 C CA -0.156 58.806 59.018 -0.092 0.000 1.593 227 C CB 1.301 28.997 27.740 -0.072 0.000 2.104 227 C HN 0.136 nan 8.230 nan 0.000 0.476 228 A N 0.901 123.665 122.820 -0.093 0.000 2.119 228 A HA 0.276 4.596 4.320 -0.000 0.000 0.216 228 A C 0.924 178.438 177.584 -0.116 0.000 1.152 228 A CA 1.259 53.238 52.037 -0.096 0.000 0.708 228 A CB -0.227 18.740 19.000 -0.056 0.000 0.805 228 A HN 1.142 nan 8.150 nan 0.000 0.460 229 S N -3.958 111.676 115.700 -0.109 0.000 2.627 229 S HA 0.450 4.920 4.470 -0.000 0.000 0.283 229 S C 0.167 174.704 174.600 -0.104 0.000 1.127 229 S CA -0.640 57.512 58.200 -0.081 0.000 0.863 229 S CB 0.211 63.427 63.200 0.026 0.000 1.121 229 S HN 0.310 nan 8.310 nan 0.000 0.479 230 W N 0.991 122.288 121.300 -0.006 0.000 2.335 230 W HA 0.022 4.682 4.660 -0.000 0.000 0.311 230 W C 2.845 179.365 176.519 0.000 0.000 1.213 230 W CA 1.724 59.067 57.345 -0.002 0.000 1.274 230 W CB -0.712 28.747 29.460 -0.001 0.000 1.148 230 W HN 0.906 nan 8.180 nan 0.000 0.498 231 A N 0.187 123.149 122.820 0.236 0.000 1.930 231 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 231 A C 1.751 179.384 177.584 0.082 0.000 1.175 231 A CA 1.803 53.923 52.037 0.138 0.000 0.627 231 A CB -0.712 18.350 19.000 0.104 0.000 0.815 231 A HN 0.408 nan 8.150 nan 0.000 0.443 232 E N -0.787 119.446 120.200 0.054 0.000 2.072 232 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 232 E C 2.020 178.628 176.600 0.013 0.000 0.985 232 E CA 1.586 57.999 56.400 0.022 0.000 0.801 232 E CB -0.291 29.409 29.700 -0.000 0.000 0.750 232 E HN 0.578 nan 8.360 nan 0.000 0.452 233 T N 1.074 115.627 114.554 -0.001 0.000 2.788 233 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 233 T C 1.764 176.481 174.700 0.029 0.000 1.044 233 T CA 0.998 63.088 62.100 -0.016 0.000 1.139 233 T CB -0.061 68.757 68.868 -0.083 0.000 0.867 233 T HN 0.063 nan 8.240 nan 0.000 0.454 234 K N 0.843 121.285 120.400 0.071 0.000 2.057 234 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 234 K C 2.613 179.243 176.600 0.049 0.000 1.049 234 K CA 1.323 57.656 56.287 0.076 0.000 0.931 234 K CB -0.116 32.446 32.500 0.103 0.000 0.714 234 K HN 0.228 nan 8.250 nan 0.000 0.440 235 S N 1.542 117.267 115.700 0.042 0.000 2.353 235 S HA -0.195 4.275 4.470 -0.000 0.000 0.222 235 S C 1.806 176.420 174.600 0.024 0.000 1.035 235 S CA 1.386 59.605 58.200 0.031 0.000 1.025 235 S CB -0.371 62.846 63.200 0.027 0.000 0.902 235 S HN 0.283 nan 8.310 nan 0.000 0.440 236 L N 2.187 123.422 121.223 0.019 0.000 2.046 236 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 236 L C 2.285 179.165 176.870 0.016 0.000 1.077 236 L CA 1.778 56.627 54.840 0.014 0.000 0.747 236 L CB -0.590 41.473 42.059 0.006 0.000 0.896 236 L HN 0.106 nan 8.230 nan 0.000 0.432 237 R N 0.455 120.967 120.500 0.020 0.000 2.127 237 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 237 R C 2.056 178.370 176.300 0.023 0.000 1.134 237 R CA 1.624 57.738 56.100 0.023 0.000 0.975 237 R CB -0.927 29.393 30.300 0.033 0.000 0.865 237 R HN 0.504 nan 8.270 nan 0.000 0.447 238 A N -0.259 122.575 122.820 0.024 0.000 2.125 238 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 238 A C 1.587 179.182 177.584 0.017 0.000 1.156 238 A CA 1.386 53.436 52.037 0.022 0.000 0.671 238 A CB -0.161 18.852 19.000 0.023 0.000 0.794 238 A HN 0.347 nan 8.150 nan 0.000 0.459 239 R N -2.248 118.261 120.500 0.016 0.000 2.642 239 R HA 0.252 4.592 4.340 -0.000 0.000 0.435 239 R C -1.022 175.284 176.300 0.011 0.000 1.046 239 R CA -0.044 56.064 56.100 0.012 0.000 1.103 239 R CB 0.835 31.142 30.300 0.012 0.000 1.425 239 R HN 0.336 nan 8.270 nan 0.000 0.586 240 C N -0.010 119.297 119.300 0.011 0.000 2.383 240 C HA 0.603 5.063 4.460 -0.000 0.000 0.330 240 C C 1.294 176.290 174.990 0.010 0.000 1.168 240 C CA -0.425 58.598 59.018 0.009 0.000 1.374 240 C CB 0.775 28.520 27.740 0.008 0.000 2.014 240 C HN 0.600 nan 8.230 nan 0.000 0.439 241 A N 4.709 127.533 122.820 0.008 0.000 2.169 241 A HA 0.279 4.599 4.320 -0.000 0.000 0.212 241 A C 0.605 178.195 177.584 0.010 0.000 1.153 241 A CA 0.454 52.497 52.037 0.010 0.000 0.756 241 A CB -0.172 18.833 19.000 0.008 0.000 0.813 241 A HN 0.742 nan 8.150 nan 0.000 0.471 242 L N 1.534 122.761 121.223 0.005 0.000 2.426 242 L HA 0.262 4.601 4.340 -0.000 0.000 0.271 242 L C -1.955 174.922 176.870 0.011 0.000 1.169 242 L CA -1.504 53.337 54.840 0.003 0.000 0.836 242 L CB 0.169 42.222 42.059 -0.009 0.000 1.112 242 L HN 0.092 nan 8.230 nan 0.000 0.465 243 P HA 0.110 nan 4.420 nan 0.000 0.266 243 P C -0.987 176.329 177.300 0.026 0.000 1.195 243 P CA -0.244 62.877 63.100 0.035 0.000 0.768 243 P CB 0.735 32.472 31.700 0.062 0.000 0.838 244 L N 3.259 124.501 121.223 0.032 0.000 2.385 244 L HA 0.552 4.892 4.340 -0.000 0.000 0.273 244 L C -0.853 176.036 176.870 0.032 0.000 0.990 244 L CA -0.686 54.166 54.840 0.020 0.000 0.821 244 L CB 1.780 43.845 42.059 0.011 0.000 1.279 244 L HN 0.269 nan 8.230 nan 0.000 0.412 245 L N 4.807 126.046 121.223 0.027 0.000 2.362 245 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 245 L C -1.437 175.435 176.870 0.004 0.000 0.998 245 L CA -0.408 54.455 54.840 0.039 0.000 0.820 245 L CB 1.446 43.553 42.059 0.081 0.000 1.270 245 L HN 0.533 nan 8.230 nan 0.000 0.415 246 L N 4.106 125.325 121.223 -0.008 0.000 2.325 246 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 246 L C -0.527 176.319 176.870 -0.039 0.000 1.023 246 L CA -0.338 54.469 54.840 -0.055 0.000 0.811 246 L CB 1.860 43.862 42.059 -0.095 0.000 1.249 246 L HN 0.674 nan 8.230 nan 0.000 0.431 247 D N 0.058 120.421 120.400 -0.061 0.000 3.054 247 D HA -0.001 4.639 4.640 -0.000 0.000 0.209 247 D C 1.361 177.625 176.300 -0.059 0.000 1.527 247 D CA 0.217 54.206 54.000 -0.019 0.000 1.427 247 D CB 0.349 41.168 40.800 0.032 0.000 1.059 247 D HN 0.503 nan 8.370 nan 0.000 0.243 248 E N 0.255 120.383 120.200 -0.120 0.000 2.130 248 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 248 E C 2.019 178.499 176.600 -0.201 0.000 0.998 248 E CA 0.883 57.144 56.400 -0.232 0.000 0.806 248 E CB -0.119 29.378 29.700 -0.340 0.000 0.738 248 E HN 0.338 nan 8.360 nan 0.000 0.459 249 L N 0.402 121.463 121.223 -0.271 0.000 2.376 249 L HA -0.025 4.315 4.340 -0.000 0.000 0.219 249 L C 0.317 177.121 176.870 -0.110 0.000 1.133 249 L CA 0.109 54.708 54.840 -0.402 0.000 0.816 249 L CB 0.025 41.491 42.059 -0.989 0.000 0.933 249 L HN 0.123 nan 8.230 nan 0.000 0.449 250 I N 0.463 121.011 120.570 -0.037 0.000 2.310 250 I HA 0.115 4.285 4.170 -0.000 0.000 0.287 250 I C 0.677 176.842 176.117 0.080 0.000 1.073 250 I CA 0.384 61.739 61.300 0.091 0.000 1.216 250 I CB 1.077 39.117 38.000 0.067 0.000 1.415 250 I HN 0.264 nan 8.210 nan 0.000 0.480 251 Q N 2.581 122.453 119.800 0.119 0.000 2.548 251 Q HA 0.080 4.420 4.340 -0.000 0.000 0.230 251 Q C 0.834 176.904 176.000 0.117 0.000 0.899 251 Q CA 0.442 56.305 55.803 0.100 0.000 0.936 251 Q CB 0.577 29.367 28.738 0.087 0.000 1.114 251 Q HN 0.739 nan 8.270 nan 0.000 0.606 252 T N -1.587 113.046 114.554 0.132 0.000 2.897 252 T HA 0.236 4.586 4.350 -0.000 0.000 0.278 252 T C 0.621 175.381 174.700 0.100 0.000 0.981 252 T CA -0.578 61.601 62.100 0.131 0.000 0.973 252 T CB 1.367 70.312 68.868 0.129 0.000 1.092 252 T HN -0.109 nan 8.240 nan 0.000 0.543 253 E N 0.414 120.665 120.200 0.084 0.000 2.110 253 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 253 E C 2.405 179.034 176.600 0.047 0.000 0.988 253 E CA 1.924 58.353 56.400 0.049 0.000 0.804 253 E CB -0.693 29.025 29.700 0.031 0.000 0.745 253 E HN 0.917 nan 8.360 nan 0.000 0.458 254 T N -0.865 113.719 114.554 0.050 0.000 2.867 254 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 254 T C 1.301 176.001 174.700 -0.000 0.000 1.057 254 T CA 1.157 63.267 62.100 0.017 0.000 1.136 254 T CB -0.256 68.615 68.868 0.007 0.000 0.874 254 T HN -0.076 nan 8.240 nan 0.000 0.466 255 D N 1.364 121.796 120.400 0.052 0.000 2.116 255 D HA -0.072 4.568 4.640 -0.000 0.000 0.193 255 D C 1.994 178.398 176.300 0.173 0.000 0.998 255 D CA 0.786 54.865 54.000 0.131 0.000 0.836 255 D CB -0.491 40.497 40.800 0.313 0.000 0.951 255 D HN 0.242 nan 8.370 nan 0.000 0.449 256 L N 1.026 122.326 121.223 0.129 0.000 2.017 256 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 256 L C 2.170 179.081 176.870 0.069 0.000 1.073 256 L CA 1.151 56.055 54.840 0.107 0.000 0.745 256 L CB -0.651 41.446 42.059 0.064 0.000 0.894 256 L HN -0.001 nan 8.230 nan 0.000 0.432 257 I N -0.213 120.377 120.570 0.033 0.000 2.248 257 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 257 I C 2.634 178.745 176.117 -0.009 0.000 1.107 257 I CA 1.511 62.817 61.300 0.009 0.000 1.373 257 I CB -1.916 36.081 38.000 -0.006 0.000 1.055 257 I HN 0.290 nan 8.210 nan 0.000 0.418 258 A N 0.883 123.672 122.820 -0.052 0.000 1.933 258 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 258 A C 2.600 180.175 177.584 -0.014 0.000 1.175 258 A CA 1.827 53.787 52.037 -0.128 0.000 0.628 258 A CB -0.693 18.073 19.000 -0.389 0.000 0.814 258 A HN 0.419 nan 8.150 nan 0.000 0.444 259 A N -0.172 122.716 122.820 0.113 0.000 1.902 259 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 259 A C 2.092 179.740 177.584 0.106 0.000 1.181 259 A CA 1.606 53.764 52.037 0.202 0.000 0.623 259 A CB -0.565 18.580 19.000 0.241 0.000 0.818 259 A HN 0.471 nan 8.150 nan 0.000 0.443 260 I N -1.013 119.597 120.570 0.067 0.000 2.202 260 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 260 I C 2.614 178.751 176.117 0.033 0.000 1.091 260 I CA 1.709 63.035 61.300 0.044 0.000 1.368 260 I CB -0.184 37.834 38.000 0.029 0.000 1.058 260 I HN 0.323 nan 8.210 nan 0.000 0.410 261 R N 1.183 121.695 120.500 0.020 0.000 2.091 261 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 261 R C 1.527 177.837 176.300 0.017 0.000 1.136 261 R CA 1.909 58.013 56.100 0.008 0.000 0.959 261 R CB -0.497 29.794 30.300 -0.015 0.000 0.856 261 R HN 0.282 nan 8.270 nan 0.000 0.437 262 D N 0.125 120.544 120.400 0.032 0.000 2.355 262 D HA -0.035 4.605 4.640 -0.000 0.000 0.218 262 D C -0.143 176.192 176.300 0.058 0.000 1.004 262 D CA 0.790 54.819 54.000 0.049 0.000 0.880 262 D CB -0.187 40.660 40.800 0.078 0.000 0.911 262 D HN 0.307 nan 8.370 nan 0.000 0.528 263 D N -0.018 120.415 120.400 0.055 0.000 2.689 263 D HA -0.207 4.433 4.640 -0.000 0.000 0.237 263 D C 0.760 177.098 176.300 0.063 0.000 1.148 263 D CA 0.063 54.094 54.000 0.052 0.000 0.656 263 D CB -1.133 39.691 40.800 0.039 0.000 1.050 263 D HN 0.160 nan 8.370 nan 0.000 0.426 264 L N -0.316 120.959 121.223 0.086 0.000 2.375 264 L HA 0.242 4.582 4.340 -0.000 0.000 0.215 264 L C 0.942 177.851 176.870 0.065 0.000 1.108 264 L CA 1.419 56.316 54.840 0.095 0.000 0.830 264 L CB 0.333 42.490 42.059 0.164 0.000 0.959 264 L HN 0.678 nan 8.230 nan 0.000 0.457 265 C N -4.453 114.883 119.300 0.060 0.000 3.321 265 C HA 0.487 4.947 4.460 -0.000 0.000 0.329 265 C C 0.221 175.238 174.990 0.044 0.000 1.394 265 C CA -0.802 58.243 59.018 0.044 0.000 1.291 265 C CB 0.926 28.687 27.740 0.036 0.000 1.606 265 C HN 0.219 nan 8.230 nan 0.000 0.463 266 D N 0.165 120.592 120.400 0.045 0.000 2.433 266 D HA 0.392 5.031 4.640 -0.000 0.000 0.211 266 D C 0.588 176.918 176.300 0.049 0.000 1.114 266 D CA 0.736 54.765 54.000 0.047 0.000 0.837 266 D CB 1.374 42.207 40.800 0.054 0.000 0.984 266 D HN 1.082 nan 8.370 nan 0.000 0.505 267 G N 0.241 109.070 108.800 0.049 0.000 2.646 267 G HA2 0.440 4.400 3.960 -0.000 0.000 0.291 267 G HA3 0.440 4.400 3.960 -0.000 0.000 0.291 267 G C -2.009 172.914 174.900 0.039 0.000 1.445 267 G CA -0.475 44.653 45.100 0.048 0.000 0.814 267 G HN -0.011 nan 8.290 nan 0.000 0.495 268 V N -0.169 119.762 119.914 0.027 0.000 2.789 268 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 268 V C 0.362 176.469 176.094 0.022 0.000 1.073 268 V CA 0.043 62.355 62.300 0.021 0.000 0.921 268 V CB 1.974 33.806 31.823 0.014 0.000 1.009 268 V HN 1.479 nan 8.190 nan 0.000 0.426 269 G N 6.573 115.389 108.800 0.027 0.000 2.457 269 G HA2 0.534 4.494 3.960 -0.000 0.000 0.316 269 G HA3 0.534 4.494 3.960 -0.000 0.000 0.316 269 G C -0.687 174.224 174.900 0.018 0.000 1.030 269 G CA -0.415 44.702 45.100 0.029 0.000 1.073 269 G HN 0.717 nan 8.290 nan 0.000 0.430 270 L N 2.501 123.724 121.223 -0.000 0.000 2.276 270 L HA 0.446 4.786 4.340 -0.000 0.000 0.286 270 L C 0.343 177.210 176.870 -0.005 0.000 1.061 270 L CA -0.394 54.442 54.840 -0.006 0.000 0.807 270 L CB 1.368 43.408 42.059 -0.031 0.000 1.177 270 L HN 0.307 nan 8.230 nan 0.000 0.429 271 K N 2.445 122.854 120.400 0.014 0.000 2.463 271 K HA 0.268 4.588 4.320 -0.000 0.000 0.255 271 K C 0.708 177.321 176.600 0.021 0.000 0.942 271 K CA -0.622 55.674 56.287 0.016 0.000 0.814 271 K CB 2.588 35.115 32.500 0.044 0.000 1.122 271 K HN 0.300 nan 8.250 nan 0.000 0.425 272 V N 1.265 121.181 119.914 0.003 0.000 2.250 272 V HA -0.341 3.779 4.120 -0.000 0.000 0.253 272 V C 2.029 178.151 176.094 0.047 0.000 1.065 272 V CA 2.666 64.970 62.300 0.007 0.000 1.039 272 V CB -0.590 31.232 31.823 -0.002 0.000 0.647 272 V HN 0.917 nan 8.190 nan 0.000 0.446 273 S N -0.653 115.083 115.700 0.060 0.000 2.558 273 S HA -0.063 4.407 4.470 -0.000 0.000 0.217 273 S C 1.798 176.463 174.600 0.107 0.000 0.975 273 S CA 0.921 59.175 58.200 0.090 0.000 0.912 273 S CB -0.155 63.096 63.200 0.085 0.000 0.776 273 S HN 0.697 nan 8.310 nan 0.000 0.526 274 K N 0.921 121.384 120.400 0.105 0.000 2.076 274 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 274 K C 1.938 178.601 176.600 0.105 0.000 1.051 274 K CA 0.947 57.300 56.287 0.111 0.000 0.949 274 K CB -0.080 32.495 32.500 0.124 0.000 0.726 274 K HN 0.180 nan 8.250 nan 0.000 0.443 275 Q N -0.455 119.400 119.800 0.090 0.000 2.187 275 Q HA 0.085 4.425 4.340 -0.000 0.000 0.199 275 Q C 1.201 177.298 176.000 0.162 0.000 0.957 275 Q CA 1.430 57.288 55.803 0.091 0.000 0.857 275 Q CB 0.357 29.111 28.738 0.027 0.000 0.929 275 Q HN 0.612 nan 8.270 nan 0.000 0.453 276 G N -1.056 107.847 108.800 0.172 0.000 2.147 276 G HA2 0.199 4.159 3.960 -0.000 0.000 0.128 276 G HA3 0.199 4.159 3.960 -0.000 0.000 0.128 276 G C 0.377 175.446 174.900 0.283 0.000 1.026 276 G CA 0.026 45.305 45.100 0.298 0.000 0.693 276 G HN 0.769 nan 8.290 nan 0.000 0.499 277 G N -1.062 107.812 108.800 0.123 0.000 2.373 277 G HA2 0.249 4.209 3.960 -0.000 0.000 0.634 277 G HA3 0.249 4.209 3.960 -0.000 0.000 0.634 277 G C 0.578 175.432 174.900 -0.077 0.000 1.267 277 G CA -0.134 45.014 45.100 0.079 0.000 1.008 277 G HN 0.786 nan 8.290 nan 0.000 0.497 278 I N 0.828 121.287 120.570 -0.184 0.000 2.208 278 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 278 I C 3.024 178.828 176.117 -0.523 0.000 1.097 278 I CA 2.630 63.629 61.300 -0.503 0.000 1.363 278 I CB -2.099 35.266 38.000 -1.058 0.000 1.051 278 I HN 0.665 nan 8.210 nan 0.000 0.413 279 T N 2.701 117.082 114.554 -0.288 0.000 2.622 279 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 279 T C -0.279 174.159 174.700 -0.436 0.000 1.047 279 T CA 2.020 63.977 62.100 -0.238 0.000 1.159 279 T CB -1.362 67.469 68.868 -0.061 0.000 0.863 279 T HN 0.312 nan 8.240 nan 0.000 0.422 280 P HA 0.037 nan 4.420 nan 0.000 0.221 280 P C 1.563 178.711 177.300 -0.253 0.000 1.150 280 P CA 0.863 63.690 63.100 -0.455 0.000 0.800 280 P CB -0.170 31.271 31.700 -0.431 0.000 0.787 281 M N -0.751 118.710 119.600 -0.232 0.000 2.149 281 M HA -0.083 4.396 4.480 -0.000 0.000 0.261 281 M C 2.267 178.443 176.300 -0.207 0.000 1.064 281 M CA 1.371 56.558 55.300 -0.189 0.000 1.102 281 M CB -1.280 31.204 32.600 -0.194 0.000 1.369 281 M HN 0.012 nan 8.290 nan 0.000 0.408 282 L N -1.068 119.994 121.223 -0.269 0.000 2.095 282 L HA -0.167 4.173 4.340 -0.000 0.000 0.204 282 L C 2.626 179.394 176.870 -0.170 0.000 1.080 282 L CA 0.892 55.588 54.840 -0.240 0.000 0.759 282 L CB -0.470 41.405 42.059 -0.307 0.000 0.914 282 L HN 0.264 nan 8.230 nan 0.000 0.439 283 R N -0.115 120.278 120.500 -0.177 0.000 2.083 283 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 283 R C 2.301 178.544 176.300 -0.095 0.000 1.137 283 R CA 1.523 57.546 56.100 -0.128 0.000 0.951 283 R CB -0.369 29.840 30.300 -0.152 0.000 0.851 283 R HN 0.460 nan 8.270 nan 0.000 0.434 284 Q N -0.013 119.726 119.800 -0.101 0.000 2.124 284 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 284 Q C 2.199 178.161 176.000 -0.064 0.000 0.977 284 Q CA 1.256 57.020 55.803 -0.066 0.000 0.850 284 Q CB -0.156 28.550 28.738 -0.054 0.000 0.901 284 Q HN 0.267 nan 8.270 nan 0.000 0.429 285 R N 0.569 121.016 120.500 -0.087 0.000 2.073 285 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 285 R C 2.186 178.444 176.300 -0.070 0.000 1.134 285 R CA 1.388 57.436 56.100 -0.086 0.000 0.952 285 R CB -0.259 29.976 30.300 -0.108 0.000 0.850 285 R HN 0.249 nan 8.270 nan 0.000 0.433 286 A N 0.645 123.425 122.820 -0.067 0.000 1.930 286 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 286 A C 2.123 179.687 177.584 -0.033 0.000 1.175 286 A CA 1.348 53.357 52.037 -0.047 0.000 0.627 286 A CB -0.443 18.531 19.000 -0.044 0.000 0.815 286 A HN 0.364 nan 8.150 nan 0.000 0.443 287 I N -0.308 120.243 120.570 -0.032 0.000 2.202 287 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 287 I C 2.960 179.068 176.117 -0.015 0.000 1.091 287 I CA 1.072 62.361 61.300 -0.017 0.000 1.368 287 I CB -0.366 37.627 38.000 -0.011 0.000 1.058 287 I HN 0.330 nan 8.210 nan 0.000 0.410 288 A N 0.743 123.548 122.820 -0.024 0.000 1.902 288 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 288 A C 2.519 180.083 177.584 -0.034 0.000 1.181 288 A CA 1.791 53.814 52.037 -0.024 0.000 0.623 288 A CB -0.806 18.174 19.000 -0.033 0.000 0.818 288 A HN 0.427 nan 8.150 nan 0.000 0.443 289 A N -0.260 122.533 122.820 -0.045 0.000 1.930 289 A HA 0.234 4.554 4.320 -0.000 0.000 0.217 289 A C 2.441 180.014 177.584 -0.017 0.000 1.175 289 A CA 1.791 53.799 52.037 -0.048 0.000 0.627 289 A CB -0.846 18.123 19.000 -0.052 0.000 0.815 289 A HN 0.997 nan 8.150 nan 0.000 0.443 290 A N -0.246 122.568 122.820 -0.011 0.000 1.930 290 A HA 0.237 4.557 4.320 -0.000 0.000 0.217 290 A C 2.269 179.857 177.584 0.007 0.000 1.175 290 A CA 1.711 53.749 52.037 0.002 0.000 0.627 290 A CB -0.695 18.305 19.000 0.000 0.000 0.815 290 A HN 1.043 nan 8.150 nan 0.000 0.443 291 A N -1.712 121.110 122.820 0.003 0.000 2.238 291 A HA 0.411 4.731 4.320 -0.000 0.000 0.208 291 A C 1.758 179.349 177.584 0.011 0.000 1.177 291 A CA 1.144 53.187 52.037 0.010 0.000 0.804 291 A CB -0.967 18.041 19.000 0.012 0.000 0.823 291 A HN 1.860 nan 8.150 nan 0.000 0.482 292 G N -1.114 107.688 108.800 0.004 0.000 2.160 292 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.251 292 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.251 292 G C 0.136 175.030 174.900 -0.010 0.000 1.008 292 G CA 0.555 45.658 45.100 0.005 0.000 0.724 292 G HN 0.442 nan 8.290 nan 0.000 0.514 293 M N 0.628 120.216 119.600 -0.019 0.000 2.211 293 M HA 0.464 4.944 4.480 -0.000 0.000 0.356 293 M C 1.202 177.471 176.300 -0.052 0.000 1.216 293 M CA -0.569 54.722 55.300 -0.016 0.000 1.134 293 M CB 1.431 34.029 32.600 -0.004 0.000 1.564 293 M HN 0.369 nan 8.290 nan 0.000 0.463 294 V N 1.706 121.596 119.914 -0.041 0.000 3.003 294 V HA 0.523 4.643 4.120 -0.000 0.000 0.305 294 V C -0.322 175.730 176.094 -0.070 0.000 1.078 294 V CA -0.598 61.651 62.300 -0.084 0.000 1.083 294 V CB 1.010 32.791 31.823 -0.069 0.000 1.039 294 V HN 0.912 nan 8.190 nan 0.000 0.481 295 M N 3.015 122.546 119.600 -0.116 0.000 2.327 295 M HA 0.420 4.900 4.480 -0.000 0.000 0.298 295 M C -0.481 175.747 176.300 -0.120 0.000 1.065 295 M CA -0.153 55.092 55.300 -0.093 0.000 0.916 295 M CB 2.289 34.828 32.600 -0.101 0.000 1.630 295 M HN 0.790 nan 8.290 nan 0.000 0.442 296 S N 2.061 117.720 115.700 -0.069 0.000 2.442 296 S HA 0.599 5.069 4.470 -0.000 0.000 0.297 296 S C -0.727 173.840 174.600 -0.054 0.000 1.131 296 S CA -0.628 57.531 58.200 -0.069 0.000 1.092 296 S CB 0.718 63.926 63.200 0.012 0.000 0.998 296 S HN 0.486 nan 8.310 nan 0.000 0.478 297 V N 6.825 126.698 119.914 -0.069 0.000 2.334 297 V HA 0.429 4.549 4.120 -0.000 0.000 0.267 297 V C 0.198 176.269 176.094 -0.039 0.000 1.040 297 V CA -0.208 62.054 62.300 -0.063 0.000 0.866 297 V CB 0.593 32.363 31.823 -0.088 0.000 1.019 297 V HN 0.889 nan 8.190 nan 0.000 0.468 298 Q N 2.641 122.423 119.800 -0.029 0.000 2.943 298 Q HA 0.621 4.961 4.340 -0.000 0.000 0.328 298 Q C -1.374 174.612 176.000 -0.023 0.000 0.934 298 Q CA -0.958 54.833 55.803 -0.019 0.000 0.782 298 Q CB 2.301 31.022 28.738 -0.028 0.000 1.470 298 Q HN 0.621 nan 8.270 nan 0.000 0.503 299 D N -0.995 119.383 120.400 -0.037 0.000 2.610 299 D HA 0.210 4.850 4.640 -0.000 0.000 0.271 299 D C 0.412 176.645 176.300 -0.112 0.000 1.174 299 D CA 0.044 54.019 54.000 -0.042 0.000 0.949 299 D CB 1.876 42.667 40.800 -0.016 0.000 1.430 299 D HN 0.597 nan 8.370 nan 0.000 0.467 300 T N -1.452 113.039 114.554 -0.104 0.000 2.674 300 T HA 0.087 4.437 4.350 -0.000 0.000 0.265 300 T C 1.082 175.624 174.700 -0.262 0.000 1.039 300 T CA 1.368 63.343 62.100 -0.209 0.000 1.150 300 T CB -0.096 68.732 68.868 -0.067 0.000 0.864 300 T HN 0.328 nan 8.240 nan 0.000 0.427 301 V N -1.527 118.268 119.914 -0.198 0.000 0.000 301 V HA 0.592 4.712 4.120 -0.000 0.000 0.000 301 V C -0.855 175.149 176.094 -0.150 0.000 0.000 301 V CA 0.024 62.163 62.300 -0.267 0.000 0.000 301 V CB 1.342 32.799 31.823 -0.610 0.000 0.000 301 V HN 1.181 nan 8.190 nan 0.000 0.000 302 G N 1.237 109.970 108.800 -0.112 0.000 2.320 302 G HA2 0.597 4.557 3.960 -0.000 0.000 0.297 302 G HA3 0.597 4.557 3.960 -0.000 0.000 0.297 302 G C -0.482 174.421 174.900 0.005 0.000 1.344 302 G CA 0.472 45.557 45.100 -0.025 0.000 0.851 302 G HN 1.982 nan 8.290 nan 0.000 0.567 303 S N -0.922 114.793 115.700 0.026 0.000 2.481 303 S HA 0.346 4.816 4.470 -0.000 0.000 0.267 303 S C 1.410 176.040 174.600 0.051 0.000 1.174 303 S CA 0.638 58.851 58.200 0.021 0.000 1.027 303 S CB 0.550 63.754 63.200 0.007 0.000 1.117 303 S HN 0.578 nan 8.310 nan 0.000 0.495 304 Q N 0.126 119.951 119.800 0.042 0.000 2.291 304 Q HA 0.212 4.552 4.340 -0.000 0.000 0.205 304 Q C 1.867 177.944 176.000 0.128 0.000 0.970 304 Q CA 1.284 57.152 55.803 0.109 0.000 0.876 304 Q CB -0.750 28.022 28.738 0.056 0.000 0.935 304 Q HN 0.686 nan 8.270 nan 0.000 0.455 305 I N -0.640 119.967 120.570 0.062 0.000 2.233 305 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 305 I C 2.325 178.501 176.117 0.099 0.000 1.093 305 I CA 1.171 62.509 61.300 0.064 0.000 1.380 305 I CB -0.432 37.593 38.000 0.042 0.000 1.067 305 I HN 0.177 nan 8.210 nan 0.000 0.413 306 S N 1.007 116.766 115.700 0.098 0.000 2.368 306 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 306 S C 2.135 176.806 174.600 0.118 0.000 1.030 306 S CA 1.340 59.596 58.200 0.093 0.000 0.999 306 S CB -0.513 62.731 63.200 0.072 0.000 0.844 306 S HN 0.422 nan 8.310 nan 0.000 0.459 307 F N 2.580 122.526 119.950 -0.006 0.000 2.126 307 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 307 F C 2.352 178.145 175.800 -0.011 0.000 1.096 307 F CA 1.040 59.030 58.000 -0.016 0.000 1.255 307 F CB -1.103 37.885 39.000 -0.021 0.000 0.997 307 F HN 0.287 nan 8.300 nan 0.000 0.479 308 A N 0.330 123.102 122.820 -0.079 0.000 1.908 308 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 308 A C 2.460 180.008 177.584 -0.060 0.000 1.181 308 A CA 2.017 53.980 52.037 -0.122 0.000 0.627 308 A CB -1.572 17.471 19.000 0.072 0.000 0.818 308 A HN 0.495 nan 8.150 nan 0.000 0.445 309 A N -0.130 122.682 122.820 -0.014 0.000 1.898 309 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 309 A C 2.120 179.649 177.584 -0.092 0.000 1.181 309 A CA 1.462 53.490 52.037 -0.016 0.000 0.620 309 A CB -0.601 18.399 19.000 -0.000 0.000 0.819 309 A HN 0.501 nan 8.150 nan 0.000 0.442 310 I N -0.957 119.531 120.570 -0.136 0.000 2.208 310 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 310 I C 2.444 178.416 176.117 -0.243 0.000 1.097 310 I CA 1.298 62.506 61.300 -0.154 0.000 1.363 310 I CB -0.253 37.686 38.000 -0.101 0.000 1.051 310 I HN 0.375 nan 8.210 nan 0.000 0.413 311 L N 0.029 120.989 121.223 -0.439 0.000 2.072 311 L HA -0.178 4.162 4.340 -0.000 0.000 0.205 311 L C 2.627 179.278 176.870 -0.365 0.000 1.079 311 L CA 1.919 56.448 54.840 -0.519 0.000 0.752 311 L CB -0.873 40.640 42.059 -0.909 0.000 0.906 311 L HN 0.223 nan 8.230 nan 0.000 0.436 312 H N -0.607 118.323 119.070 -0.233 0.000 2.353 312 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 312 H C 2.337 177.567 175.328 -0.164 0.000 1.090 312 H CA 1.977 57.926 56.048 -0.165 0.000 1.327 312 H CB -0.136 29.547 29.762 -0.132 0.000 1.383 312 H HN 0.330 nan 8.280 nan 0.000 0.508 313 L N 0.143 121.325 121.223 -0.069 0.000 1.989 313 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 313 L C 2.931 179.728 176.870 -0.122 0.000 1.071 313 L CA 1.120 55.886 54.840 -0.124 0.000 0.749 313 L CB -0.526 41.444 42.059 -0.149 0.000 0.890 313 L HN 0.210 nan 8.230 nan 0.000 0.431 314 A N -0.677 122.063 122.820 -0.133 0.000 1.940 314 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 314 A C 2.178 179.693 177.584 -0.115 0.000 1.176 314 A CA 1.891 53.852 52.037 -0.127 0.000 0.631 314 A CB -0.537 18.385 19.000 -0.130 0.000 0.814 314 A HN 0.424 nan 8.150 nan 0.000 0.446 315 Q N 0.612 120.341 119.800 -0.118 0.000 2.291 315 Q HA -0.088 4.252 4.340 -0.000 0.000 0.205 315 Q C 1.779 177.740 176.000 -0.066 0.000 0.970 315 Q CA 1.783 57.528 55.803 -0.095 0.000 0.876 315 Q CB -0.305 28.369 28.738 -0.108 0.000 0.935 315 Q HN 0.720 nan 8.270 nan 0.000 0.455 316 S N -2.189 113.472 115.700 -0.065 0.000 2.557 316 S HA 0.210 4.680 4.470 -0.000 0.000 0.223 316 S C 0.242 174.801 174.600 -0.067 0.000 0.969 316 S CA -0.447 57.719 58.200 -0.056 0.000 0.927 316 S CB 0.345 63.512 63.200 -0.056 0.000 0.806 316 S HN 0.055 nan 8.310 nan 0.000 0.489 317 T N 5.157 119.662 114.554 -0.081 0.000 2.856 317 T HA 0.428 4.778 4.350 -0.000 0.000 0.292 317 T C -2.787 171.868 174.700 -0.074 0.000 0.980 317 T CA -1.263 60.783 62.100 -0.090 0.000 1.091 317 T CB 0.979 69.780 68.868 -0.112 0.000 0.936 317 T HN 0.116 nan 8.240 nan 0.000 0.503 318 P HA 0.186 nan 4.420 nan 0.000 0.263 318 P C 0.538 177.804 177.300 -0.058 0.000 1.195 318 P CA -0.260 62.828 63.100 -0.021 0.000 0.762 318 P CB 0.618 32.315 31.700 -0.005 0.000 0.799 319 R N 3.338 123.842 120.500 0.006 0.000 2.115 319 R HA -0.169 4.171 4.340 -0.000 0.000 0.230 319 R C 2.012 178.292 176.300 -0.034 0.000 1.111 319 R CA 1.858 57.940 56.100 -0.031 0.000 0.976 319 R CB -1.348 28.944 30.300 -0.012 0.000 0.870 319 R HN 0.709 nan 8.270 nan 0.000 0.445 320 H N -1.866 117.159 119.070 -0.075 0.000 2.521 320 H HA 0.057 4.613 4.556 -0.000 0.000 0.286 320 H C 1.413 176.689 175.328 -0.086 0.000 1.034 320 H CA 1.348 57.352 56.048 -0.073 0.000 1.278 320 H CB -0.082 29.651 29.762 -0.048 0.000 1.386 320 H HN 0.205 nan 8.280 nan 0.000 0.567 321 L N -0.046 120.847 121.223 -0.550 0.000 2.408 321 L HA 0.158 4.498 4.340 -0.000 0.000 0.215 321 L C 0.477 177.182 176.870 -0.276 0.000 1.081 321 L CA -0.411 54.184 54.840 -0.409 0.000 0.840 321 L CB 0.145 41.947 42.059 -0.427 0.000 1.002 321 L HN 0.220 nan 8.230 nan 0.000 0.468 322 L N 1.491 122.565 121.223 -0.248 0.000 2.455 322 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 322 L C 0.166 176.833 176.870 -0.337 0.000 1.174 322 L CA 0.578 55.276 54.840 -0.238 0.000 0.869 322 L CB 0.134 42.081 42.059 -0.186 0.000 1.130 322 L HN 0.041 nan 8.230 nan 0.000 0.474 323 R N 4.483 124.740 120.500 -0.405 0.000 2.724 323 R HA 0.373 4.713 4.340 -0.000 0.000 0.284 323 R C -0.855 175.164 176.300 -0.467 0.000 1.481 323 R CA -0.329 55.346 56.100 -0.709 0.000 1.652 323 R CB -0.396 29.224 30.300 -1.133 0.000 1.175 323 R HN 0.888 nan 8.270 nan 0.000 0.613 324 C N -0.492 118.623 119.300 -0.308 0.000 0.168 324 C HA -0.113 4.347 4.460 -0.000 0.000 0.017 324 C C 0.848 175.785 174.990 -0.089 0.000 0.171 324 C CA -0.490 58.438 59.018 -0.151 0.000 0.499 324 C CB -0.921 26.770 27.740 -0.081 0.000 3.212 324 C HN 0.822 nan 8.230 nan 0.000 1.118 325 A N 1.633 124.434 122.820 -0.033 0.000 2.311 325 A HA 0.872 5.192 4.320 -0.000 0.000 0.334 325 A C -0.653 176.973 177.584 0.070 0.000 1.139 325 A CA -0.465 51.574 52.037 0.003 0.000 0.830 325 A CB 0.840 19.839 19.000 -0.002 0.000 1.234 325 A HN 1.835 nan 8.150 nan 0.000 0.483 326 L N 0.654 121.929 121.223 0.086 0.000 2.292 326 L HA 0.440 4.780 4.340 -0.000 0.000 0.284 326 L C -0.496 176.502 176.870 0.212 0.000 1.065 326 L CA -0.170 54.733 54.840 0.105 0.000 0.806 326 L CB 1.208 43.291 42.059 0.040 0.000 1.175 326 L HN 0.625 nan 8.230 nan 0.000 0.431 327 D N 2.582 123.065 120.400 0.138 0.000 2.468 327 D HA 0.082 4.722 4.640 -0.000 0.000 0.218 327 D C 1.051 177.266 176.300 -0.140 0.000 1.155 327 D CA 0.210 54.174 54.000 -0.061 0.000 0.924 327 D CB 1.056 41.767 40.800 -0.148 0.000 1.029 327 D HN 0.771 nan 8.370 nan 0.000 0.515 328 T N 0.984 115.492 114.554 -0.077 0.000 3.025 328 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 328 T C 1.650 176.271 174.700 -0.132 0.000 1.126 328 T CA 0.608 62.664 62.100 -0.073 0.000 1.105 328 T CB 0.013 68.880 68.868 -0.001 0.000 0.884 328 T HN 0.295 nan 8.240 nan 0.000 0.522 329 R N 0.948 121.285 120.500 -0.272 0.000 2.148 329 R HA 0.268 4.608 4.340 -0.000 0.000 0.223 329 R C 2.683 178.914 176.300 -0.115 0.000 1.088 329 R CA 0.943 56.917 56.100 -0.209 0.000 0.985 329 R CB -0.388 29.723 30.300 -0.316 0.000 0.880 329 R HN 0.504 nan 8.270 nan 0.000 0.451 330 A N 0.252 123.012 122.820 -0.100 0.000 2.209 330 A HA -0.012 4.308 4.320 -0.000 0.000 0.212 330 A C 1.797 179.386 177.584 0.007 0.000 1.158 330 A CA 0.822 52.842 52.037 -0.029 0.000 0.742 330 A CB -0.181 18.818 19.000 -0.002 0.000 0.790 330 A HN 0.190 nan 8.150 nan 0.000 0.472 331 M N -1.828 117.771 119.600 -0.001 0.000 2.567 331 M HA 0.103 4.583 4.480 -0.000 0.000 0.261 331 M C 0.855 177.217 176.300 0.104 0.000 1.180 331 M CA 0.690 56.015 55.300 0.042 0.000 1.143 331 M CB 0.589 33.169 32.600 -0.034 0.000 1.319 331 M HN 0.292 nan 8.290 nan 0.000 0.490 332 T N -1.334 113.258 114.554 0.063 0.000 2.906 332 T HA 0.267 4.617 4.350 -0.000 0.000 0.295 332 T C 0.435 175.154 174.700 0.033 0.000 1.075 332 T CA -0.421 61.729 62.100 0.083 0.000 1.005 332 T CB 2.142 71.070 68.868 0.101 0.000 1.136 332 T HN -0.102 nan 8.240 nan 0.000 0.498 333 T N 1.984 116.556 114.554 0.030 0.000 3.057 333 T HA 0.426 4.776 4.350 -0.000 0.000 0.254 333 T C 0.908 175.610 174.700 0.003 0.000 1.094 333 T CA 0.453 62.559 62.100 0.011 0.000 1.088 333 T CB -0.464 68.410 68.868 0.010 0.000 0.934 333 T HN 0.872 nan 8.240 nan 0.000 0.497 334 A N 1.646 124.472 122.820 0.010 0.000 2.561 334 A HA 0.254 4.574 4.320 -0.000 0.000 0.234 334 A C 0.228 177.803 177.584 -0.016 0.000 1.055 334 A CA 0.148 52.185 52.037 0.000 0.000 0.756 334 A CB 0.051 19.057 19.000 0.010 0.000 0.986 334 A HN 0.294 nan 8.150 nan 0.000 0.505 335 E N 2.090 122.275 120.200 -0.025 0.000 2.593 335 E HA 0.473 4.823 4.350 -0.000 0.000 0.232 335 E C -0.094 176.474 176.600 -0.054 0.000 1.026 335 E CA -0.058 56.321 56.400 -0.036 0.000 0.772 335 E CB 0.213 29.895 29.700 -0.030 0.000 1.310 335 E HN 0.561 nan 8.360 nan 0.000 0.413 336 L N 0.877 122.059 121.223 -0.069 0.000 2.515 336 L HA 0.635 4.975 4.340 -0.000 0.000 0.223 336 L C 0.639 177.409 176.870 -0.166 0.000 1.079 336 L CA 0.203 54.975 54.840 -0.113 0.000 0.857 336 L CB 0.405 42.398 42.059 -0.110 0.000 1.050 336 L HN 0.409 nan 8.230 nan 0.000 0.476 337 A N -0.140 122.603 122.820 -0.128 0.000 2.610 337 A HA 0.591 4.911 4.320 -0.000 0.000 0.291 337 A C -1.344 176.197 177.584 -0.072 0.000 1.086 337 A CA -0.603 51.349 52.037 -0.141 0.000 0.677 337 A CB 1.242 20.125 19.000 -0.194 0.000 1.278 337 A HN 0.053 nan 8.150 nan 0.000 0.414 338 E N 0.177 120.342 120.200 -0.058 0.000 2.191 338 E HA 0.636 4.986 4.350 -0.000 0.000 0.278 338 E C -1.216 175.387 176.600 0.005 0.000 0.972 338 E CA -0.402 55.986 56.400 -0.021 0.000 0.804 338 E CB 2.503 32.192 29.700 -0.018 0.000 1.110 338 E HN 0.534 nan 8.360 nan 0.000 0.394 339 I N 1.504 122.094 120.570 0.032 0.000 2.656 339 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 339 I C -1.436 174.714 176.117 0.054 0.000 1.144 339 I CA -0.727 60.606 61.300 0.056 0.000 1.038 339 I CB 2.008 40.068 38.000 0.101 0.000 1.244 339 I HN 0.420 nan 8.210 nan 0.000 0.420 340 D N 6.682 127.107 120.400 0.042 0.000 2.517 340 D HA 0.526 5.166 4.640 -0.000 0.000 0.220 340 D C -0.433 175.888 176.300 0.036 0.000 1.158 340 D CA 0.211 54.231 54.000 0.033 0.000 0.992 340 D CB 0.505 41.318 40.800 0.021 0.000 1.058 340 D HN 0.554 nan 8.370 nan 0.000 0.516 341 A N 4.182 127.043 122.820 0.067 0.000 3.156 341 A HA 0.379 4.698 4.320 -0.000 0.000 0.311 341 A C -2.569 175.078 177.584 0.105 0.000 1.129 341 A CA -1.003 51.088 52.037 0.090 0.000 0.809 341 A CB 0.513 19.598 19.000 0.141 0.000 1.257 341 A HN 0.337 nan 8.150 nan 0.000 0.491 342 P HA 0.527 nan 4.420 nan 0.000 0.276 342 P C 0.073 177.376 177.300 0.005 0.000 1.261 342 P CA -0.390 62.719 63.100 0.016 0.000 0.800 342 P CB 0.971 32.670 31.700 -0.002 0.000 1.066 346 G N -0.205 108.309 108.800 -0.477 0.000 2.179 346 G HA2 0.046 4.006 3.960 -0.000 0.000 0.257 346 G HA3 0.046 4.006 3.960 -0.000 0.000 0.257 346 G C 0.573 175.251 174.900 -0.370 0.000 1.010 346 G CA 0.198 44.882 45.100 -0.693 0.000 0.736 346 G HN 0.822 nan 8.290 nan 0.000 0.513 347 G N -1.812 106.838 108.800 -0.249 0.000 2.704 347 G HA2 1.006 4.966 3.960 -0.000 0.000 0.293 347 G HA3 1.006 4.966 3.960 -0.000 0.000 0.293 347 G C -0.764 174.098 174.900 -0.063 0.000 1.421 347 G CA 0.473 45.501 45.100 -0.121 0.000 0.870 347 G HN 1.789 nan 8.290 nan 0.000 0.492 348 A N -0.050 122.758 122.820 -0.020 0.000 2.574 348 A HA 0.874 5.194 4.320 -0.000 0.000 0.297 348 A C -0.497 177.067 177.584 -0.033 0.000 1.062 348 A CA -0.521 51.525 52.037 0.015 0.000 0.686 348 A CB 1.702 20.792 19.000 0.149 0.000 1.285 348 A HN 1.195 nan 8.150 nan 0.000 0.403 349 S N 0.623 116.296 115.700 -0.045 0.000 2.482 349 S HA 0.700 5.170 4.470 -0.000 0.000 0.303 349 S C 0.285 174.807 174.600 -0.130 0.000 1.091 349 S CA -0.074 58.077 58.200 -0.081 0.000 1.057 349 S CB 1.671 64.837 63.200 -0.057 0.000 1.031 349 S HN 1.618 nan 8.310 nan 0.000 0.485 350 A N 4.554 127.249 122.820 -0.208 0.000 2.511 350 A HA 0.474 4.794 4.320 -0.000 0.000 0.242 350 A C -2.051 175.421 177.584 -0.186 0.000 1.069 350 A CA -0.922 50.899 52.037 -0.361 0.000 0.763 350 A CB -0.650 18.044 19.000 -0.510 0.000 1.001 350 A HN 0.526 nan 8.150 nan 0.000 0.498 351 P HA 0.056 nan 4.420 nan 0.000 0.270 351 P C 0.537 177.882 177.300 0.076 0.000 1.227 351 P CA 0.181 63.279 63.100 -0.003 0.000 0.788 351 P CB 0.593 32.314 31.700 0.036 0.000 0.926 352 S N -2.107 113.630 115.700 0.061 0.000 2.557 352 S HA 0.097 4.567 4.470 -0.000 0.000 0.223 352 S C 0.262 174.901 174.600 0.065 0.000 0.969 352 S CA -0.431 57.807 58.200 0.064 0.000 0.927 352 S CB -0.398 62.824 63.200 0.035 0.000 0.806 352 S HN 0.313 nan 8.310 nan 0.000 0.489 353 D N 3.622 124.068 120.400 0.077 0.000 2.341 353 D HA 0.296 4.936 4.640 -0.000 0.000 0.245 353 D C -2.672 173.660 176.300 0.054 0.000 1.106 353 D CA -1.462 52.575 54.000 0.062 0.000 0.905 353 D CB 0.629 41.468 40.800 0.065 0.000 1.202 353 D HN 0.135 nan 8.370 nan 0.000 0.426 354 P HA 0.079 nan 4.420 nan 0.000 0.265 354 P C 0.648 177.955 177.300 0.013 0.000 1.187 354 P CA 0.583 63.695 63.100 0.020 0.000 0.766 354 P CB 0.470 32.185 31.700 0.025 0.000 0.820 355 G N 1.487 110.274 108.800 -0.022 0.000 2.562 355 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.250 355 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.250 355 G C 0.732 175.552 174.900 -0.135 0.000 1.269 355 G CA 0.033 45.114 45.100 -0.032 0.000 0.919 355 G HN 0.461 nan 8.290 nan 0.000 0.574 356 L N 1.510 122.712 121.223 -0.034 0.000 2.217 356 L HA 0.299 4.639 4.340 -0.000 0.000 0.211 356 L C 2.458 179.463 176.870 0.225 0.000 1.107 356 L CA 1.471 56.325 54.840 0.023 0.000 0.783 356 L CB -0.567 41.566 42.059 0.124 0.000 0.919 356 L HN 2.229 nan 8.230 nan 0.000 0.442 357 G N 0.394 109.280 108.800 0.143 0.000 2.142 357 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.225 357 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.225 357 G C -0.071 174.889 174.900 0.101 0.000 1.015 357 G CA -0.356 44.827 45.100 0.138 0.000 0.716 357 G HN 0.175 nan 8.290 nan 0.000 0.508 358 L N -0.062 121.216 121.223 0.092 0.000 2.307 358 L HA 0.595 4.935 4.340 -0.000 0.000 0.282 358 L C 0.992 177.868 176.870 0.010 0.000 1.051 358 L CA -0.825 54.036 54.840 0.036 0.000 0.804 358 L CB 1.239 43.300 42.059 0.003 0.000 1.197 358 L HN 0.085 nan 8.230 nan 0.000 0.431 359 R N 2.695 123.178 120.500 -0.029 0.000 2.278 359 R HA 0.392 4.732 4.340 -0.000 0.000 0.322 359 R C -0.994 175.222 176.300 -0.141 0.000 1.058 359 R CA -0.537 55.536 56.100 -0.044 0.000 0.991 359 R CB 1.171 31.461 30.300 -0.016 0.000 1.140 359 R HN 0.326 nan 8.270 nan 0.000 0.518 360 V N 2.880 122.639 119.914 -0.259 0.000 2.546 360 V HA 0.049 4.169 4.120 -0.000 0.000 0.284 360 V C 0.507 176.411 176.094 -0.317 0.000 1.050 360 V CA -0.611 61.388 62.300 -0.503 0.000 0.981 360 V CB 1.316 32.344 31.823 -1.326 0.000 0.990 360 V HN 0.587 nan 8.190 nan 0.000 0.474 361 N N 3.785 122.315 118.700 -0.282 0.000 2.719 361 N HA 0.144 4.884 4.740 -0.000 0.000 0.243 361 N C 1.191 176.588 175.510 -0.189 0.000 1.104 361 N CA -0.046 52.902 53.050 -0.170 0.000 0.981 361 N CB 0.021 38.435 38.487 -0.122 0.000 1.290 361 N HN 0.620 nan 8.380 nan 0.000 0.513 362 R N 2.026 122.448 120.500 -0.130 0.000 2.117 362 R HA -0.150 4.190 4.340 -0.000 0.000 0.243 362 R C 0.289 176.557 176.300 -0.053 0.000 1.143 362 R CA 1.688 57.750 56.100 -0.064 0.000 0.968 362 R CB 0.222 30.600 30.300 0.131 0.000 0.863 362 R HN 0.429 nan 8.270 nan 0.000 0.444 363 D N 0.180 120.565 120.400 -0.024 0.000 2.117 363 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 363 D C 1.699 177.986 176.300 -0.023 0.000 0.987 363 D CA 1.459 55.456 54.000 -0.005 0.000 0.829 363 D CB -0.312 40.490 40.800 0.003 0.000 0.961 363 D HN 0.387 nan 8.370 nan 0.000 0.460 364 A N 0.557 123.346 122.820 -0.052 0.000 2.084 364 A HA -0.136 4.184 4.320 -0.000 0.000 0.221 364 A C 2.177 179.732 177.584 -0.048 0.000 1.161 364 A CA 0.865 52.871 52.037 -0.051 0.000 0.653 364 A CB -0.700 18.259 19.000 -0.070 0.000 0.802 364 A HN 0.276 nan 8.150 nan 0.000 0.457 365 L N -1.264 119.911 121.223 -0.081 0.000 2.554 365 L HA 0.248 4.588 4.340 -0.000 0.000 0.226 365 L C 1.371 178.267 176.870 0.044 0.000 1.137 365 L CA 0.229 55.024 54.840 -0.075 0.000 0.863 365 L CB -1.153 40.724 42.059 -0.303 0.000 0.985 365 L HN 0.600 nan 8.230 nan 0.000 0.451 366 G N 0.239 109.072 108.800 0.054 0.000 2.828 366 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.463 366 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.463 366 G C -0.096 174.903 174.900 0.164 0.000 1.394 366 G CA -0.274 44.882 45.100 0.094 0.000 0.862 366 G HN 0.083 nan 8.290 nan 0.000 0.540 367 T N 1.825 116.454 114.554 0.124 0.000 2.888 367 T HA 0.494 4.844 4.350 -0.000 0.000 0.301 367 T C -1.596 173.175 174.700 0.119 0.000 1.001 367 T CA -0.283 61.887 62.100 0.117 0.000 1.147 367 T CB 0.145 69.047 68.868 0.056 0.000 0.931 367 T HN 0.547 nan 8.240 nan 0.000 0.541 368 P HA -0.035 nan 4.420 nan 0.000 0.263 368 P C 1.069 178.317 177.300 -0.087 0.000 1.175 368 P CA -0.084 62.924 63.100 -0.152 0.000 0.761 368 P CB 0.334 31.880 31.700 -0.256 0.000 0.794 369 V N -0.077 119.791 119.914 -0.077 0.000 2.970 369 V HA 0.042 4.162 4.120 -0.000 0.000 0.260 369 V C 0.666 176.700 176.094 -0.101 0.000 1.100 369 V CA 1.464 63.732 62.300 -0.053 0.000 1.122 369 V CB -0.913 30.904 31.823 -0.011 0.000 0.721 369 V HN 0.416 nan 8.190 nan 0.000 0.483 370 K N -0.615 119.690 120.400 -0.158 0.000 2.557 370 K HA 0.613 4.933 4.320 -0.000 0.000 0.261 370 K C -1.069 175.325 176.600 -0.343 0.000 0.932 370 K CA -0.060 56.065 56.287 -0.271 0.000 0.829 370 K CB 2.150 34.499 32.500 -0.253 0.000 1.358 370 K HN 0.213 nan 8.250 nan 0.000 0.430 371 T N 3.133 117.396 114.554 -0.484 0.000 2.876 371 T HA 0.733 5.083 4.350 -0.000 0.000 0.289 371 T C -1.057 173.281 174.700 -0.603 0.000 1.014 371 T CA -0.361 61.516 62.100 -0.372 0.000 0.986 371 T CB 0.429 69.175 68.868 -0.205 0.000 1.021 371 T HN 0.321 nan 8.240 nan 0.000 0.458 372 F N 0.000 119.921 119.950 -0.048 0.000 2.286 372 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 372 F CA 0.000 57.976 58.000 -0.040 0.000 1.383 372 F CB 0.000 38.976 39.000 -0.040 0.000 1.145 372 F HN 0.000 nan 8.300 nan 0.000 0.574