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 3cq5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTKITLSDLP LREELRGEHA YGAPQLNVDI RLNTNENPYP PSEALVADLV DATA SEQUENCE ATVDKIATEL NRYPERDAVE LRDELAAYIT KQTGVAVTRD NLWAANGSNE DATA SEQUENCE ILQQLLQAFG GPGRTALGFQ PSYSMHPILA KGTHTEFIAV SRGADFRIDM DATA SEQUENCE DVALEEIRAK QPDIVFVTTP NNPTGDVTSL DDVERIINVA PGIVIVDEAY DATA SEQUENCE AEFSPSPSAT TLLEKYPTKL VVSRTMSKAF DFAGGRLGYF VANPAFIDAV DATA SEQUENCE MLVRLPYHLS ALSQAAAIVA LRHSADTLGT VEKLSVERVR VAARLEELGY DATA SEQUENCE AVVPSESNFV FFGDFSDQHA AWQAFLDRGV LIRDVGIAGH LRTTIGVPEE DATA SEQUENCE NDAFLDAAAE IIKLNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.004 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 T N 1.546 116.102 114.554 0.004 0.000 2.934 2 T HA 0.137 4.487 4.350 -0.001 0.000 0.306 2 T C -0.167 174.535 174.700 0.004 0.000 1.042 2 T CA 0.064 62.167 62.100 0.004 0.000 1.145 2 T CB 0.544 69.414 68.868 0.004 0.000 0.982 2 T HN 0.692 nan 8.240 nan 0.000 0.544 3 K N 3.956 124.358 120.400 0.004 0.000 2.316 3 K HA 0.472 4.791 4.320 -0.001 0.000 0.289 3 K C 0.056 176.659 176.600 0.005 0.000 1.070 3 K CA -0.728 55.561 56.287 0.005 0.000 0.928 3 K CB 0.013 32.516 32.500 0.004 0.000 1.039 3 K HN 0.753 nan 8.250 nan 0.000 0.480 4 I N 0.235 120.808 120.570 0.006 0.000 3.145 4 I HA 0.624 4.794 4.170 -0.001 0.000 0.313 4 I C -0.484 175.637 176.117 0.007 0.000 1.122 4 I CA -0.735 60.569 61.300 0.006 0.000 0.987 4 I CB 2.352 40.356 38.000 0.006 0.000 1.236 4 I HN 0.597 nan 8.210 nan 0.000 0.453 5 T N -0.150 114.408 114.554 0.008 0.000 2.716 5 T HA 0.347 4.697 4.350 -0.001 0.000 0.286 5 T C 0.512 175.217 174.700 0.009 0.000 1.052 5 T CA -0.637 61.468 62.100 0.009 0.000 1.024 5 T CB 1.191 70.064 68.868 0.009 0.000 1.349 5 T HN 0.747 nan 8.240 nan 0.000 0.525 6 L N 1.337 122.567 121.223 0.011 0.000 2.129 6 L HA 0.003 4.342 4.340 -0.001 0.000 0.212 6 L C 2.509 179.384 176.870 0.009 0.000 1.087 6 L CA 2.092 56.939 54.840 0.011 0.000 0.757 6 L CB -1.401 40.666 42.059 0.013 0.000 0.896 6 L HN 0.811 nan 8.230 nan 0.000 0.434 7 S N -0.453 115.252 115.700 0.008 0.000 2.419 7 S HA -0.160 4.310 4.470 -0.001 0.000 0.235 7 S C 1.386 175.990 174.600 0.006 0.000 1.019 7 S CA 1.363 59.567 58.200 0.007 0.000 0.982 7 S CB -0.421 62.783 63.200 0.007 0.000 0.789 7 S HN 0.592 nan 8.310 nan 0.000 0.490 8 D N 0.677 121.081 120.400 0.007 0.000 2.355 8 D HA 0.132 4.772 4.640 -0.001 0.000 0.218 8 D C 0.292 176.596 176.300 0.007 0.000 1.004 8 D CA 0.299 54.303 54.000 0.006 0.000 0.880 8 D CB 0.121 40.924 40.800 0.006 0.000 0.911 8 D HN 0.353 nan 8.370 nan 0.000 0.528 9 L N 1.957 123.184 121.223 0.007 0.000 2.343 9 L HA 0.254 4.594 4.340 -0.001 0.000 0.275 9 L C -1.749 175.126 176.870 0.008 0.000 1.056 9 L CA -1.748 53.096 54.840 0.008 0.000 0.804 9 L CB 1.036 43.101 42.059 0.009 0.000 1.203 9 L HN -0.270 nan 8.230 nan 0.000 0.440 10 P HA 0.077 nan 4.420 nan 0.000 0.228 10 P C -0.264 177.042 177.300 0.010 0.000 1.748 10 P CA -0.296 62.808 63.100 0.008 0.000 0.909 10 P CB 0.032 31.736 31.700 0.007 0.000 1.882 11 L N 0.996 122.225 121.223 0.009 0.000 2.483 11 L HA 0.092 4.432 4.340 -0.001 0.000 0.275 11 L C 0.888 177.765 176.870 0.013 0.000 1.220 11 L CA -0.042 54.805 54.840 0.011 0.000 0.833 11 L CB 0.186 42.249 42.059 0.008 0.000 1.102 11 L HN 0.077 nan 8.230 nan 0.000 0.490 12 R N 3.101 123.612 120.500 0.019 0.000 2.585 12 R HA -0.033 4.306 4.340 -0.001 0.000 0.275 12 R C 1.044 177.354 176.300 0.017 0.000 1.018 12 R CA -0.291 55.824 56.100 0.025 0.000 1.072 12 R CB 0.337 30.666 30.300 0.048 0.000 0.953 12 R HN 0.656 nan 8.270 nan 0.000 0.419 13 E N 2.691 122.901 120.200 0.015 0.000 2.085 13 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 13 E C 1.593 178.195 176.600 0.004 0.000 0.994 13 E CA 1.858 58.263 56.400 0.008 0.000 0.801 13 E CB 0.030 29.735 29.700 0.007 0.000 0.743 13 E HN 0.700 nan 8.360 nan 0.000 0.453 14 E N 0.432 120.640 120.200 0.014 0.000 2.333 14 E HA -0.151 4.199 4.350 -0.001 0.000 0.198 14 E C 1.878 178.468 176.600 -0.017 0.000 1.007 14 E CA 0.667 57.070 56.400 0.005 0.000 0.845 14 E CB -0.276 29.442 29.700 0.029 0.000 0.766 14 E HN 0.255 nan 8.360 nan 0.000 0.507 15 L N 0.459 121.673 121.223 -0.015 0.000 2.567 15 L HA 0.145 4.484 4.340 -0.001 0.000 0.225 15 L C 0.824 177.668 176.870 -0.042 0.000 1.119 15 L CA -0.384 54.438 54.840 -0.031 0.000 0.871 15 L CB 0.036 42.086 42.059 -0.016 0.000 1.036 15 L HN -0.044 nan 8.230 nan 0.000 0.459 16 R N 1.028 121.509 120.500 -0.032 0.000 2.489 16 R HA 0.181 4.520 4.340 -0.001 0.000 0.287 16 R C 1.130 177.392 176.300 -0.062 0.000 1.053 16 R CA 0.705 56.785 56.100 -0.034 0.000 1.036 16 R CB -0.102 30.186 30.300 -0.019 0.000 0.966 16 R HN 0.317 nan 8.270 nan 0.000 0.432 17 G N 1.802 110.560 108.800 -0.069 0.000 2.168 17 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.263 17 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.263 17 G C 0.156 174.868 174.900 -0.314 0.000 0.977 17 G CA 0.234 45.264 45.100 -0.117 0.000 0.659 17 G HN 0.528 nan 8.290 nan 0.000 0.533 18 E N 0.118 120.154 120.200 -0.273 0.000 2.345 18 E HA 0.564 4.913 4.350 -0.001 0.000 0.259 18 E C 0.135 176.501 176.600 -0.390 0.000 1.117 18 E CA -0.200 55.975 56.400 -0.376 0.000 0.913 18 E CB 0.580 30.177 29.700 -0.171 0.000 1.057 18 E HN 0.685 nan 8.360 nan 0.000 0.432 19 H N -1.167 117.895 119.070 -0.013 0.000 2.637 19 H HA 0.519 5.074 4.556 -0.001 0.000 0.363 19 H C -0.506 174.824 175.328 0.003 0.000 1.131 19 H CA -1.026 55.013 56.048 -0.014 0.000 1.183 19 H CB 1.662 31.404 29.762 -0.032 0.000 1.637 19 H HN 0.551 nan 8.280 nan 0.000 0.531 20 A N 2.304 125.202 122.820 0.129 0.000 2.520 20 A HA 0.036 4.355 4.320 -0.001 0.000 0.245 20 A C -0.681 176.963 177.584 0.100 0.000 1.072 20 A CA 0.086 52.179 52.037 0.093 0.000 0.761 20 A CB -0.434 18.602 19.000 0.060 0.000 1.004 20 A HN 0.691 nan 8.150 nan 0.000 0.499 21 Y N 1.844 122.137 120.300 -0.011 0.000 2.336 21 Y HA 0.459 5.008 4.550 -0.001 0.000 0.331 21 Y C 0.746 176.633 175.900 -0.021 0.000 1.211 21 Y CA 1.060 59.143 58.100 -0.030 0.000 1.346 21 Y CB 0.820 39.244 38.460 -0.059 0.000 1.271 21 Y HN 1.322 nan 8.280 nan 0.000 0.538 22 G N 2.648 111.065 108.800 -0.638 0.000 2.351 22 G HA2 0.409 4.369 3.960 -0.001 0.000 0.472 22 G HA3 0.409 4.369 3.960 -0.001 0.000 0.472 22 G C -1.427 173.286 174.900 -0.312 0.000 1.570 22 G CA -0.688 44.188 45.100 -0.373 0.000 0.921 22 G HN 0.999 nan 8.290 nan 0.000 0.674 23 A N 2.841 125.528 122.820 -0.221 0.000 2.507 23 A HA 0.682 5.001 4.320 -0.001 0.000 0.235 23 A C -1.005 176.547 177.584 -0.053 0.000 1.070 23 A CA -0.200 51.760 52.037 -0.128 0.000 0.768 23 A CB -0.311 18.661 19.000 -0.046 0.000 1.011 23 A HN 0.817 nan 8.150 nan 0.000 0.502 24 P HA 0.102 nan 4.420 nan 0.000 0.271 24 P C -0.901 176.435 177.300 0.059 0.000 1.216 24 P CA 0.075 63.200 63.100 0.041 0.000 0.776 24 P CB 0.460 32.229 31.700 0.115 0.000 0.881 25 Q N 2.121 121.944 119.800 0.038 0.000 3.006 25 Q HA 0.286 4.626 4.340 -0.001 0.000 0.260 25 Q C -0.357 175.664 176.000 0.035 0.000 1.356 25 Q CA -0.231 55.591 55.803 0.032 0.000 1.070 25 Q CB -0.160 28.589 28.738 0.019 0.000 1.507 25 Q HN 0.433 nan 8.270 nan 0.000 0.568 26 L N 1.463 122.715 121.223 0.047 0.000 2.289 26 L HA 0.255 4.595 4.340 -0.001 0.000 0.285 26 L C 0.542 177.421 176.870 0.014 0.000 1.049 26 L CA -0.699 54.161 54.840 0.034 0.000 0.804 26 L CB 0.797 42.883 42.059 0.044 0.000 1.195 26 L HN 0.300 nan 8.230 nan 0.000 0.428 27 N N 3.242 121.945 118.700 0.005 0.000 3.050 27 N HA 0.148 4.888 4.740 -0.001 0.000 0.289 27 N C -0.695 174.808 175.510 -0.011 0.000 1.209 27 N CA -0.330 52.719 53.050 -0.002 0.000 1.154 27 N CB 0.083 38.569 38.487 -0.002 0.000 1.444 27 N HN 0.378 nan 8.380 nan 0.000 0.529 28 V N -0.590 119.314 119.914 -0.015 0.000 2.716 28 V HA 0.469 4.589 4.120 -0.001 0.000 0.304 28 V C 0.687 176.770 176.094 -0.018 0.000 1.053 28 V CA -0.509 61.776 62.300 -0.025 0.000 0.984 28 V CB 1.673 33.470 31.823 -0.042 0.000 1.021 28 V HN 0.122 nan 8.190 nan 0.000 0.467 29 D N 1.951 122.341 120.400 -0.017 0.000 2.269 29 D HA 0.128 4.768 4.640 -0.001 0.000 0.208 29 D C 0.379 176.672 176.300 -0.012 0.000 0.963 29 D CA 1.317 55.310 54.000 -0.013 0.000 0.864 29 D CB -0.016 40.777 40.800 -0.011 0.000 0.936 29 D HN 0.468 nan 8.370 nan 0.000 0.505 30 I N 1.340 121.903 120.570 -0.010 0.000 2.405 30 I HA 0.279 4.449 4.170 -0.001 0.000 0.280 30 I C -0.221 175.887 176.117 -0.015 0.000 1.027 30 I CA -0.400 60.895 61.300 -0.007 0.000 1.161 30 I CB 1.059 39.068 38.000 0.015 0.000 1.300 30 I HN -0.259 nan 8.210 nan 0.000 0.463 31 R N 6.697 127.184 120.500 -0.022 0.000 2.288 31 R HA 0.615 4.955 4.340 -0.001 0.000 0.326 31 R C -0.386 175.892 176.300 -0.037 0.000 0.959 31 R CA -0.440 55.647 56.100 -0.022 0.000 0.834 31 R CB 1.601 31.895 30.300 -0.011 0.000 1.157 31 R HN 0.516 nan 8.270 nan 0.000 0.470 32 L N 4.029 125.221 121.223 -0.052 0.000 3.025 32 L HA 0.201 4.541 4.340 -0.001 0.000 0.307 32 L C 0.463 177.286 176.870 -0.080 0.000 1.303 32 L CA -0.166 54.620 54.840 -0.091 0.000 0.817 32 L CB 0.272 42.230 42.059 -0.169 0.000 1.227 32 L HN 0.619 nan 8.230 nan 0.000 0.571 33 N N -1.453 117.229 118.700 -0.030 0.000 2.145 33 N HA -0.004 4.735 4.740 -0.001 0.000 0.219 33 N C 0.797 176.302 175.510 -0.008 0.000 1.266 33 N CA 0.534 53.580 53.050 -0.007 0.000 0.902 33 N CB 0.530 39.047 38.487 0.050 0.000 1.078 33 N HN 0.206 nan 8.380 nan 0.000 0.513 34 T N -2.935 111.621 114.554 0.004 0.000 3.231 34 T HA 0.278 4.628 4.350 -0.001 0.000 0.292 34 T C -0.076 174.658 174.700 0.056 0.000 1.001 34 T CA -0.426 61.691 62.100 0.027 0.000 0.920 34 T CB -0.209 68.686 68.868 0.044 0.000 1.140 34 T HN -0.027 nan 8.240 nan 0.000 0.525 35 N N 1.375 120.104 118.700 0.048 0.000 2.741 35 N HA -0.136 4.604 4.740 -0.001 0.000 0.251 35 N C -0.574 175.051 175.510 0.193 0.000 1.112 35 N CA 0.890 54.022 53.050 0.136 0.000 0.750 35 N CB -1.421 37.201 38.487 0.225 0.000 1.119 35 N HN 0.750 nan 8.380 nan 0.000 0.561 36 E N 0.557 120.831 120.200 0.124 0.000 2.383 36 E HA 0.123 4.473 4.350 -0.001 0.000 0.264 36 E C 0.647 177.338 176.600 0.153 0.000 1.050 36 E CA -0.577 55.905 56.400 0.135 0.000 0.896 36 E CB 0.490 30.239 29.700 0.081 0.000 0.982 36 E HN 0.125 nan 8.360 nan 0.000 0.424 37 N N 3.555 122.382 118.700 0.213 0.000 2.452 37 N HA -0.008 4.731 4.740 -0.001 0.000 0.266 37 N C -1.647 173.933 175.510 0.118 0.000 1.209 37 N CA -1.403 51.786 53.050 0.231 0.000 0.929 37 N CB 0.817 39.485 38.487 0.302 0.000 1.063 37 N HN 0.300 nan 8.380 nan 0.000 0.472 38 P HA -0.040 nan 4.420 nan 0.000 0.236 38 P C -0.378 176.795 177.300 -0.212 0.000 1.177 38 P CA 0.579 63.584 63.100 -0.158 0.000 0.773 38 P CB 0.095 31.609 31.700 -0.309 0.000 0.878 39 Y N 1.841 122.186 120.300 0.075 0.000 2.319 39 Y HA 0.288 4.837 4.550 -0.001 0.000 0.328 39 Y C -1.643 174.297 175.900 0.067 0.000 1.133 39 Y CA -2.632 55.507 58.100 0.065 0.000 1.265 39 Y CB -0.212 38.288 38.460 0.067 0.000 1.218 39 Y HN -0.039 nan 8.280 nan 0.000 0.508 40 P HA 0.119 nan 4.420 nan 0.000 0.272 40 P C -2.523 174.864 177.300 0.145 0.000 1.223 40 P CA -1.340 61.840 63.100 0.132 0.000 0.784 40 P CB 0.039 31.795 31.700 0.093 0.000 0.923 41 P HA -0.003 nan 4.420 nan 0.000 0.266 41 P C 0.086 177.425 177.300 0.065 0.000 1.193 41 P CA 0.206 63.377 63.100 0.117 0.000 0.770 41 P CB 0.080 31.865 31.700 0.140 0.000 0.836 42 S N 1.030 116.749 115.700 0.032 0.000 2.573 42 S HA 0.033 4.503 4.470 -0.001 0.000 0.277 42 S C 1.144 175.733 174.600 -0.018 0.000 1.346 42 S CA -0.262 57.943 58.200 0.008 0.000 1.034 42 S CB 0.433 63.632 63.200 -0.002 0.000 0.879 42 S HN 0.457 nan 8.310 nan 0.000 0.528 43 E N 1.575 121.773 120.200 -0.004 0.000 2.085 43 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 43 E C 2.333 178.913 176.600 -0.034 0.000 0.994 43 E CA 1.402 57.797 56.400 -0.009 0.000 0.801 43 E CB -0.456 29.247 29.700 0.005 0.000 0.743 43 E HN 0.844 nan 8.360 nan 0.000 0.453 44 A N 1.121 123.919 122.820 -0.037 0.000 1.898 44 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 44 A C 2.159 179.597 177.584 -0.244 0.000 1.181 44 A CA 0.955 52.969 52.037 -0.039 0.000 0.620 44 A CB -0.628 18.412 19.000 0.067 0.000 0.819 44 A HN 0.290 nan 8.150 nan 0.000 0.442 45 L N -0.146 120.807 121.223 -0.450 0.000 2.012 45 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 45 L C 2.426 179.129 176.870 -0.278 0.000 1.073 45 L CA 1.705 56.133 54.840 -0.686 0.000 0.748 45 L CB -0.260 41.544 42.059 -0.425 0.000 0.891 45 L HN 0.226 nan 8.230 nan 0.000 0.431 46 V N 0.264 120.101 119.914 -0.128 0.000 2.287 46 V HA -0.323 3.796 4.120 -0.001 0.000 0.248 46 V C 2.821 178.893 176.094 -0.038 0.000 1.053 46 V CA 1.768 64.041 62.300 -0.045 0.000 1.027 46 V CB -1.170 30.644 31.823 -0.014 0.000 0.646 46 V HN 0.621 nan 8.190 nan 0.000 0.447 47 A N -0.086 122.710 122.820 -0.041 0.000 1.908 47 A HA -0.310 4.009 4.320 -0.001 0.000 0.218 47 A C 2.132 179.712 177.584 -0.008 0.000 1.181 47 A CA 2.185 54.213 52.037 -0.015 0.000 0.627 47 A CB -0.690 18.308 19.000 -0.004 0.000 0.818 47 A HN 0.571 nan 8.150 nan 0.000 0.445 48 D N -0.482 119.906 120.400 -0.019 0.000 2.117 48 D HA -0.129 4.510 4.640 -0.001 0.000 0.198 48 D C 1.819 178.124 176.300 0.008 0.000 0.982 48 D CA 1.287 55.300 54.000 0.021 0.000 0.828 48 D CB -0.296 40.559 40.800 0.091 0.000 0.967 48 D HN 0.242 nan 8.370 nan 0.000 0.464 49 L N 0.235 121.449 121.223 -0.015 0.000 2.046 49 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 49 L C 2.419 179.295 176.870 0.010 0.000 1.077 49 L CA 1.362 56.206 54.840 0.008 0.000 0.747 49 L CB -0.684 41.392 42.059 0.028 0.000 0.896 49 L HN -0.054 nan 8.230 nan 0.000 0.432 50 V N 0.000 119.917 119.914 0.005 0.000 2.295 50 V HA -0.292 3.827 4.120 -0.001 0.000 0.246 50 V C 2.791 178.888 176.094 0.005 0.000 1.049 50 V CA 1.666 63.969 62.300 0.004 0.000 1.024 50 V CB -1.306 30.518 31.823 0.002 0.000 0.648 50 V HN 0.616 nan 8.190 nan 0.000 0.447 51 A N -0.489 122.335 122.820 0.007 0.000 1.902 51 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 51 A C 2.395 179.983 177.584 0.007 0.000 1.181 51 A CA 2.514 54.555 52.037 0.008 0.000 0.623 51 A CB -0.942 18.066 19.000 0.012 0.000 0.818 51 A HN 0.505 nan 8.150 nan 0.000 0.443 52 T N -0.372 114.187 114.554 0.009 0.000 2.777 52 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 52 T C 1.886 176.587 174.700 0.002 0.000 1.040 52 T CA 1.539 63.642 62.100 0.006 0.000 1.141 52 T CB -0.407 68.466 68.868 0.008 0.000 0.868 52 T HN 0.152 nan 8.240 nan 0.000 0.444 53 V N 1.975 121.891 119.914 0.003 0.000 2.343 53 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 53 V C 2.470 178.562 176.094 -0.003 0.000 1.051 53 V CA 1.735 64.035 62.300 -0.001 0.000 1.036 53 V CB -0.562 31.261 31.823 0.000 0.000 0.654 53 V HN 0.428 nan 8.190 nan 0.000 0.451 54 D N -0.053 120.346 120.400 -0.002 0.000 2.182 54 D HA -0.195 4.444 4.640 -0.001 0.000 0.201 54 D C 2.229 178.527 176.300 -0.004 0.000 0.986 54 D CA 1.412 55.410 54.000 -0.003 0.000 0.847 54 D CB -0.033 40.766 40.800 -0.001 0.000 0.942 54 D HN 0.485 nan 8.370 nan 0.000 0.467 55 K N 0.344 120.742 120.400 -0.002 0.000 2.021 55 K HA -0.072 4.248 4.320 -0.001 0.000 0.205 55 K C 2.343 178.940 176.600 -0.005 0.000 1.047 55 K CA 1.151 57.437 56.287 -0.003 0.000 0.943 55 K CB -0.198 32.302 32.500 -0.001 0.000 0.725 55 K HN 0.296 nan 8.250 nan 0.000 0.439 56 I N -2.243 118.323 120.570 -0.006 0.000 3.226 56 I HA 0.183 4.353 4.170 -0.001 0.000 0.277 56 I C 1.992 178.101 176.117 -0.013 0.000 1.243 56 I CA 0.665 61.960 61.300 -0.009 0.000 1.459 56 I CB 0.040 38.035 38.000 -0.009 0.000 1.093 56 I HN -0.005 nan 8.210 nan 0.000 0.453 57 A N 2.150 124.962 122.820 -0.013 0.000 2.024 57 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 57 A C 2.391 179.963 177.584 -0.020 0.000 1.164 57 A CA 2.244 54.270 52.037 -0.018 0.000 0.643 57 A CB -1.405 17.585 19.000 -0.016 0.000 0.806 57 A HN 0.665 nan 8.150 nan 0.000 0.451 58 T N -2.441 112.104 114.554 -0.016 0.000 3.098 58 T HA -0.019 4.330 4.350 -0.001 0.000 0.266 58 T C 0.824 175.513 174.700 -0.019 0.000 1.145 58 T CA 1.275 63.366 62.100 -0.016 0.000 1.092 58 T CB -0.098 68.763 68.868 -0.011 0.000 0.908 58 T HN 0.466 nan 8.240 nan 0.000 0.526 59 E N 0.460 120.648 120.200 -0.020 0.000 2.501 59 E HA 0.315 4.665 4.350 -0.001 0.000 0.201 59 E C 1.571 178.148 176.600 -0.039 0.000 1.016 59 E CA -0.107 56.279 56.400 -0.023 0.000 0.920 59 E CB 0.024 29.717 29.700 -0.013 0.000 1.023 59 E HN 0.497 nan 8.360 nan 0.000 0.474 60 L N 2.049 123.245 121.223 -0.046 0.000 2.456 60 L HA -0.107 4.233 4.340 -0.001 0.000 0.224 60 L C 2.003 178.814 176.870 -0.099 0.000 1.148 60 L CA 0.615 55.414 54.840 -0.068 0.000 0.825 60 L CB -0.442 41.581 42.059 -0.059 0.000 0.937 60 L HN 0.150 nan 8.230 nan 0.000 0.450 61 N N 0.078 118.726 118.700 -0.086 0.000 2.459 61 N HA -0.115 4.624 4.740 -0.001 0.000 0.181 61 N C 0.625 176.048 175.510 -0.146 0.000 1.046 61 N CA 0.614 53.599 53.050 -0.108 0.000 0.904 61 N CB 0.006 38.451 38.487 -0.070 0.000 0.964 61 N HN 0.185 nan 8.380 nan 0.000 0.444 62 R N 0.474 120.905 120.500 -0.116 0.000 2.486 62 R HA 0.224 4.564 4.340 -0.001 0.000 0.286 62 R C -0.355 175.847 176.300 -0.164 0.000 0.999 62 R CA -0.848 55.192 56.100 -0.100 0.000 0.993 62 R CB 0.140 30.430 30.300 -0.016 0.000 1.084 62 R HN 0.114 nan 8.270 nan 0.000 0.487 63 Y N 2.612 122.819 120.300 -0.155 0.000 2.683 63 Y HA -0.020 4.529 4.550 -0.000 0.000 0.340 63 Y C -1.018 174.842 175.900 -0.067 0.000 1.245 63 Y CA -0.041 57.907 58.100 -0.253 0.000 1.485 63 Y CB -0.180 37.872 38.460 -0.680 0.000 1.328 63 Y HN 0.427 nan 8.280 nan 0.000 0.603 64 P HA -0.006 nan 4.420 nan 0.000 0.279 64 P C -0.654 176.793 177.300 0.244 0.000 1.282 64 P CA -0.517 62.676 63.100 0.154 0.000 0.788 64 P CB 0.623 32.391 31.700 0.113 0.000 1.139 65 E N 0.851 121.136 120.200 0.142 0.000 2.351 65 E HA -0.055 4.295 4.350 -0.001 0.000 0.266 65 E C 1.181 177.855 176.600 0.123 0.000 1.031 65 E CA 0.116 56.592 56.400 0.127 0.000 0.911 65 E CB 0.315 30.051 29.700 0.059 0.000 0.986 65 E HN 0.353 nan 8.360 nan 0.000 0.446 66 R N 3.666 124.238 120.500 0.119 0.000 2.092 66 R HA -0.125 4.215 4.340 -0.001 0.000 0.231 66 R C 0.217 176.533 176.300 0.025 0.000 1.119 66 R CA 1.420 57.514 56.100 -0.010 0.000 0.970 66 R CB 0.345 30.484 30.300 -0.269 0.000 0.864 66 R HN 0.403 nan 8.270 nan 0.000 0.440 67 D N -0.333 120.096 120.400 0.048 0.000 2.369 67 D HA 0.143 4.783 4.640 -0.001 0.000 0.211 67 D C 0.170 176.471 176.300 0.002 0.000 1.077 67 D CA 0.703 54.761 54.000 0.098 0.000 0.842 67 D CB 0.895 41.773 40.800 0.131 0.000 0.947 67 D HN 0.273 nan 8.370 nan 0.000 0.509 68 A N 0.427 123.217 122.820 -0.050 0.000 2.640 68 A HA -0.236 4.084 4.320 -0.001 0.000 0.300 68 A C 1.733 179.271 177.584 -0.076 0.000 1.499 68 A CA 0.481 52.455 52.037 -0.104 0.000 0.759 68 A CB -2.062 16.802 19.000 -0.227 0.000 1.048 68 A HN 0.193 nan 8.150 nan 0.000 0.450 69 V N -0.350 119.549 119.914 -0.025 0.000 2.358 69 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 69 V C 2.373 178.450 176.094 -0.028 0.000 1.047 69 V CA 2.562 64.857 62.300 -0.009 0.000 1.035 69 V CB -0.413 31.419 31.823 0.015 0.000 0.658 69 V HN 0.898 nan 8.190 nan 0.000 0.452 70 E N -0.049 120.129 120.200 -0.035 0.000 2.047 70 E HA -0.253 4.097 4.350 -0.001 0.000 0.191 70 E C 2.219 178.776 176.600 -0.070 0.000 0.987 70 E CA 1.457 57.831 56.400 -0.043 0.000 0.799 70 E CB -0.138 29.540 29.700 -0.037 0.000 0.752 70 E HN 0.423 nan 8.360 nan 0.000 0.449 71 L N 1.496 122.662 121.223 -0.095 0.000 2.012 71 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 71 L C 2.306 179.085 176.870 -0.151 0.000 1.073 71 L CA 1.850 56.607 54.840 -0.140 0.000 0.748 71 L CB -0.386 41.572 42.059 -0.168 0.000 0.891 71 L HN 0.012 nan 8.230 nan 0.000 0.431 72 R N -0.432 119.993 120.500 -0.125 0.000 2.120 72 R HA -0.137 4.202 4.340 -0.001 0.000 0.234 72 R C 1.961 178.223 176.300 -0.065 0.000 1.123 72 R CA 1.297 57.336 56.100 -0.102 0.000 0.975 72 R CB -0.490 29.777 30.300 -0.055 0.000 0.866 72 R HN 0.461 nan 8.270 nan 0.000 0.446 73 D N 0.566 120.938 120.400 -0.047 0.000 2.116 73 D HA -0.168 4.471 4.640 -0.001 0.000 0.193 73 D C 1.764 178.041 176.300 -0.039 0.000 0.998 73 D CA 1.233 55.215 54.000 -0.029 0.000 0.836 73 D CB -0.027 40.759 40.800 -0.023 0.000 0.951 73 D HN 0.196 nan 8.370 nan 0.000 0.449 74 E N 0.214 120.375 120.200 -0.066 0.000 2.158 74 E HA -0.017 4.332 4.350 -0.001 0.000 0.191 74 E C 2.544 179.101 176.600 -0.071 0.000 0.982 74 E CA 0.046 56.407 56.400 -0.064 0.000 0.823 74 E CB -0.186 29.460 29.700 -0.091 0.000 0.766 74 E HN 0.355 nan 8.360 nan 0.000 0.468 75 L N 0.617 121.750 121.223 -0.150 0.000 2.083 75 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 75 L C 2.471 179.318 176.870 -0.038 0.000 1.083 75 L CA 1.139 55.852 54.840 -0.212 0.000 0.752 75 L CB -0.450 41.325 42.059 -0.473 0.000 0.899 75 L HN 0.053 nan 8.230 nan 0.000 0.433 76 A N -0.138 122.670 122.820 -0.021 0.000 1.930 76 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 76 A C 2.533 180.137 177.584 0.034 0.000 1.175 76 A CA 1.445 53.497 52.037 0.025 0.000 0.627 76 A CB -0.584 18.429 19.000 0.022 0.000 0.815 76 A HN 0.372 nan 8.150 nan 0.000 0.443 77 A N -1.158 121.681 122.820 0.031 0.000 1.902 77 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 77 A C 2.138 179.760 177.584 0.063 0.000 1.181 77 A CA 1.690 53.748 52.037 0.035 0.000 0.623 77 A CB -0.856 18.161 19.000 0.029 0.000 0.818 77 A HN 0.754 nan 8.150 nan 0.000 0.443 78 Y N 0.599 120.894 120.300 -0.007 0.000 2.114 78 Y HA -0.206 4.343 4.550 -0.001 0.000 0.284 78 Y C 2.038 177.968 175.900 0.050 0.000 1.143 78 Y CA 1.659 59.779 58.100 0.033 0.000 1.135 78 Y CB -0.213 38.292 38.460 0.075 0.000 0.980 78 Y HN 0.226 nan 8.280 nan 0.000 0.499 79 I N -0.014 120.499 120.570 -0.094 0.000 2.226 79 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 79 I C 2.201 178.236 176.117 -0.137 0.000 1.100 79 I CA 1.954 63.171 61.300 -0.138 0.000 1.374 79 I CB -1.593 36.464 38.000 0.095 0.000 1.057 79 I HN 0.299 nan 8.210 nan 0.000 0.413 80 T N 0.721 115.234 114.554 -0.068 0.000 2.684 80 T HA -0.259 4.091 4.350 -0.001 0.000 0.267 80 T C 1.997 176.645 174.700 -0.087 0.000 1.036 80 T CA 1.784 63.853 62.100 -0.052 0.000 1.148 80 T CB -0.169 68.686 68.868 -0.020 0.000 0.863 80 T HN 0.313 nan 8.240 nan 0.000 0.436 81 K N 0.413 120.743 120.400 -0.117 0.000 2.025 81 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 81 K C 2.522 179.013 176.600 -0.182 0.000 1.049 81 K CA 1.392 57.607 56.287 -0.121 0.000 0.933 81 K CB -0.098 32.347 32.500 -0.091 0.000 0.714 81 K HN 0.153 nan 8.250 nan 0.000 0.438 82 Q N 0.329 119.920 119.800 -0.347 0.000 2.083 82 Q HA -0.095 4.244 4.340 -0.001 0.000 0.198 82 Q C 1.620 177.492 176.000 -0.212 0.000 0.969 82 Q CA 2.368 57.941 55.803 -0.384 0.000 0.838 82 Q CB -0.103 28.125 28.738 -0.849 0.000 0.900 82 Q HN 0.457 nan 8.270 nan 0.000 0.436 83 T N -4.947 109.505 114.554 -0.170 0.000 3.023 83 T HA 0.366 4.716 4.350 -0.001 0.000 0.253 83 T C 1.252 175.920 174.700 -0.054 0.000 1.038 83 T CA 0.404 62.453 62.100 -0.084 0.000 0.962 83 T CB 0.357 69.196 68.868 -0.049 0.000 1.018 83 T HN 0.513 nan 8.240 nan 0.000 0.521 84 G N 0.951 109.714 108.800 -0.062 0.000 2.155 84 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.257 84 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.257 84 G C -0.010 174.877 174.900 -0.021 0.000 0.983 84 G CA 0.126 45.203 45.100 -0.038 0.000 0.676 84 G HN 0.792 nan 8.290 nan 0.000 0.528 85 V N 0.951 120.855 119.914 -0.017 0.000 2.357 85 V HA 0.736 4.856 4.120 -0.001 0.000 0.284 85 V C 0.838 176.937 176.094 0.007 0.000 1.018 85 V CA -0.568 61.734 62.300 0.002 0.000 0.841 85 V CB 1.339 33.171 31.823 0.016 0.000 0.991 85 V HN 1.111 nan 8.190 nan 0.000 0.437 86 A N 5.889 128.714 122.820 0.010 0.000 2.515 86 A HA 0.541 4.861 4.320 -0.001 0.000 0.263 86 A C 0.060 177.662 177.584 0.029 0.000 1.096 86 A CA 0.119 52.165 52.037 0.014 0.000 0.769 86 A CB -0.177 18.830 19.000 0.012 0.000 1.040 86 A HN 1.339 nan 8.150 nan 0.000 0.505 87 V N 0.573 120.507 119.914 0.034 0.000 3.130 87 V HA 0.966 5.086 4.120 -0.001 0.000 0.310 87 V C -0.049 176.072 176.094 0.045 0.000 1.158 87 V CA -0.087 62.243 62.300 0.052 0.000 1.029 87 V CB 1.533 33.400 31.823 0.073 0.000 1.057 87 V HN 1.253 nan 8.190 nan 0.000 0.436 88 T N -1.759 112.828 114.554 0.054 0.000 2.831 88 T HA 0.472 4.821 4.350 -0.001 0.000 0.287 88 T C 0.909 175.641 174.700 0.054 0.000 1.070 88 T CA -0.111 62.016 62.100 0.045 0.000 1.010 88 T CB 1.903 70.796 68.868 0.042 0.000 1.264 88 T HN 0.988 nan 8.240 nan 0.000 0.532 89 R N 0.328 120.854 120.500 0.042 0.000 2.153 89 R HA -0.207 4.132 4.340 -0.001 0.000 0.252 89 R C 0.937 177.286 176.300 0.081 0.000 1.158 89 R CA 2.490 58.618 56.100 0.047 0.000 0.975 89 R CB -0.929 29.392 30.300 0.036 0.000 0.871 89 R HN 0.702 nan 8.270 nan 0.000 0.450 90 D N 0.213 120.663 120.400 0.083 0.000 2.218 90 D HA -0.119 4.520 4.640 -0.001 0.000 0.204 90 D C 0.985 177.368 176.300 0.138 0.000 0.976 90 D CA 0.938 54.999 54.000 0.103 0.000 0.853 90 D CB -0.268 40.583 40.800 0.084 0.000 0.939 90 D HN 0.403 nan 8.370 nan 0.000 0.481 91 N N -0.151 118.631 118.700 0.137 0.000 2.280 91 N HA 0.028 4.767 4.740 -0.001 0.000 0.192 91 N C -0.150 175.473 175.510 0.189 0.000 1.109 91 N CA 0.031 53.189 53.050 0.179 0.000 0.855 91 N CB 1.085 39.664 38.487 0.153 0.000 0.974 91 N HN 0.115 nan 8.380 nan 0.000 0.482 92 L N -0.032 121.268 121.223 0.130 0.000 2.346 92 L HA 0.470 4.809 4.340 -0.001 0.000 0.274 92 L C -0.784 176.108 176.870 0.038 0.000 1.007 92 L CA -0.577 54.305 54.840 0.069 0.000 0.818 92 L CB 2.172 44.256 42.059 0.040 0.000 1.284 92 L HN 0.058 nan 8.230 nan 0.000 0.424 93 W N 3.716 124.753 121.300 -0.439 0.000 3.097 93 W HA 0.779 5.438 4.660 -0.001 0.000 0.335 93 W C -1.536 174.832 176.519 -0.252 0.000 1.114 93 W CA -0.850 56.213 57.345 -0.470 0.000 1.231 93 W CB 2.201 31.075 29.460 -0.976 0.000 1.388 93 W HN 0.644 nan 8.180 nan 0.000 0.485 94 A N 3.139 125.464 122.820 -0.825 0.000 2.356 94 A HA 0.985 5.305 4.320 -0.001 0.000 0.323 94 A C -1.203 176.091 177.584 -0.484 0.000 1.119 94 A CA -0.175 51.583 52.037 -0.465 0.000 0.790 94 A CB 1.638 20.431 19.000 -0.344 0.000 1.273 94 A HN 1.149 nan 8.150 nan 0.000 0.452 95 A N 0.598 123.359 122.820 -0.099 0.000 2.568 95 A HA 0.653 4.972 4.320 -0.001 0.000 0.291 95 A C -0.967 176.658 177.584 0.068 0.000 1.159 95 A CA -0.830 51.269 52.037 0.104 0.000 0.679 95 A CB 0.602 19.774 19.000 0.287 0.000 1.285 95 A HN 0.691 nan 8.150 nan 0.000 0.428 96 N N 1.339 120.110 118.700 0.117 0.000 2.671 96 N HA 0.399 5.139 4.740 -0.001 0.000 0.274 96 N C 0.471 176.035 175.510 0.090 0.000 1.188 96 N CA 1.489 54.584 53.050 0.074 0.000 1.065 96 N CB -0.020 38.515 38.487 0.080 0.000 1.415 96 N HN 1.522 nan 8.380 nan 0.000 0.511 97 G N 0.662 109.510 108.800 0.080 0.000 2.755 97 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.686 97 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.686 97 G C 0.782 175.751 174.900 0.114 0.000 1.427 97 G CA -0.389 44.763 45.100 0.088 0.000 0.873 97 G HN 0.333 nan 8.290 nan 0.000 0.580 98 S N 0.491 116.250 115.700 0.098 0.000 2.402 98 S HA -0.199 4.270 4.470 -0.001 0.000 0.233 98 S C 2.197 176.898 174.600 0.168 0.000 1.030 98 S CA 2.062 60.335 58.200 0.120 0.000 1.003 98 S CB -0.382 62.858 63.200 0.068 0.000 0.813 98 S HN 0.701 nan 8.310 nan 0.000 0.477 99 N N 0.721 119.514 118.700 0.156 0.000 2.061 99 N HA -0.196 4.543 4.740 -0.001 0.000 0.193 99 N C 1.917 177.514 175.510 0.145 0.000 1.030 99 N CA 1.409 54.548 53.050 0.148 0.000 0.856 99 N CB -0.137 38.414 38.487 0.107 0.000 1.023 99 N HN 0.500 nan 8.380 nan 0.000 0.424 100 E N 0.537 120.829 120.200 0.154 0.000 2.107 100 E HA -0.116 4.234 4.350 -0.001 0.000 0.191 100 E C 1.836 178.578 176.600 0.237 0.000 0.982 100 E CA 0.494 57.000 56.400 0.178 0.000 0.809 100 E CB 0.205 30.018 29.700 0.189 0.000 0.756 100 E HN 0.244 nan 8.360 nan 0.000 0.459 101 I N 1.268 122.000 120.570 0.270 0.000 2.163 101 I HA -0.308 3.862 4.170 -0.001 0.000 0.243 101 I C 2.399 178.707 176.117 0.319 0.000 1.085 101 I CA 1.316 62.839 61.300 0.371 0.000 1.347 101 I CB -0.980 37.244 38.000 0.373 0.000 1.044 101 I HN 0.294 nan 8.210 nan 0.000 0.408 102 L N -0.190 121.186 121.223 0.255 0.000 2.093 102 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 102 L C 2.663 179.657 176.870 0.206 0.000 1.085 102 L CA 1.149 56.133 54.840 0.240 0.000 0.755 102 L CB -0.612 41.599 42.059 0.255 0.000 0.904 102 L HN 0.352 nan 8.230 nan 0.000 0.435 103 Q N 0.124 120.026 119.800 0.171 0.000 2.061 103 Q HA -0.272 4.067 4.340 -0.001 0.000 0.204 103 Q C 2.213 178.296 176.000 0.138 0.000 0.984 103 Q CA 1.825 57.707 55.803 0.131 0.000 0.846 103 Q CB 0.020 28.821 28.738 0.105 0.000 0.902 103 Q HN 0.557 nan 8.270 nan 0.000 0.421 104 Q N -0.011 119.893 119.800 0.175 0.000 2.079 104 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 104 Q C 2.259 178.358 176.000 0.164 0.000 0.974 104 Q CA 1.298 57.199 55.803 0.163 0.000 0.840 104 Q CB -0.028 28.848 28.738 0.230 0.000 0.898 104 Q HN 0.400 nan 8.270 nan 0.000 0.430 105 L N 0.235 121.582 121.223 0.207 0.000 2.046 105 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 105 L C 2.261 179.271 176.870 0.234 0.000 1.077 105 L CA 0.896 55.876 54.840 0.233 0.000 0.747 105 L CB -0.329 41.791 42.059 0.103 0.000 0.896 105 L HN 0.250 nan 8.230 nan 0.000 0.432 106 L N -0.858 120.466 121.223 0.168 0.000 2.083 106 L HA -0.241 4.099 4.340 -0.001 0.000 0.209 106 L C 2.710 179.638 176.870 0.097 0.000 1.083 106 L CA 1.260 56.184 54.840 0.139 0.000 0.752 106 L CB -0.404 41.743 42.059 0.147 0.000 0.899 106 L HN 0.326 nan 8.230 nan 0.000 0.433 107 Q N -0.592 119.252 119.800 0.074 0.000 2.084 107 Q HA -0.201 4.138 4.340 -0.001 0.000 0.202 107 Q C 2.361 178.328 176.000 -0.055 0.000 0.978 107 Q CA 1.715 57.532 55.803 0.023 0.000 0.844 107 Q CB -0.227 28.524 28.738 0.021 0.000 0.898 107 Q HN 0.582 nan 8.270 nan 0.000 0.426 108 A N -0.629 122.123 122.820 -0.114 0.000 1.970 108 A HA -0.029 4.291 4.320 -0.001 0.000 0.216 108 A C 1.224 178.420 177.584 -0.646 0.000 1.170 108 A CA 0.884 52.670 52.037 -0.418 0.000 0.645 108 A CB -0.008 18.650 19.000 -0.570 0.000 0.816 108 A HN 0.334 nan 8.150 nan 0.000 0.447 109 F N -1.755 118.187 119.950 -0.014 0.000 2.767 109 F HA 0.348 4.875 4.527 0.000 0.000 0.323 109 F C 1.577 177.359 175.800 -0.031 0.000 1.091 109 F CA -0.022 57.964 58.000 -0.024 0.000 1.192 109 F CB 0.235 39.226 39.000 -0.016 0.000 1.056 109 F HN 0.262 nan 8.300 nan 0.000 0.571 110 G N -0.620 108.250 108.800 0.116 0.000 3.194 110 G HA2 0.582 4.541 3.960 -0.001 0.000 0.160 110 G HA3 0.582 4.541 3.960 -0.001 0.000 0.160 110 G C 0.299 175.230 174.900 0.051 0.000 1.267 110 G CA -0.109 45.035 45.100 0.075 0.000 0.962 110 G HN 0.522 nan 8.290 nan 0.000 0.612 111 G N -1.128 107.712 108.800 0.067 0.000 2.660 111 G HA2 0.040 3.999 3.960 -0.001 0.000 0.247 111 G HA3 0.040 3.999 3.960 -0.001 0.000 0.247 111 G C -3.044 171.899 174.900 0.072 0.000 1.328 111 G CA -0.349 44.797 45.100 0.076 0.000 0.884 111 G HN 0.660 nan 8.290 nan 0.000 0.531 112 P HA 0.336 nan 4.420 nan 0.000 0.262 112 P C 1.099 178.411 177.300 0.021 0.000 1.182 112 P CA 2.334 65.459 63.100 0.042 0.000 0.761 112 P CB 0.511 32.206 31.700 -0.009 0.000 0.795 113 G N 1.972 110.785 108.800 0.021 0.000 2.179 113 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.260 113 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.260 113 G C 0.235 175.141 174.900 0.011 0.000 0.977 113 G CA -0.176 44.931 45.100 0.010 0.000 0.641 113 G HN 0.579 nan 8.290 nan 0.000 0.533 114 R N -0.256 120.257 120.500 0.021 0.000 2.919 114 R HA 0.750 5.090 4.340 -0.001 0.000 0.260 114 R C -0.065 176.246 176.300 0.019 0.000 1.067 114 R CA -0.024 56.085 56.100 0.016 0.000 1.003 114 R CB 1.606 31.919 30.300 0.022 0.000 1.192 114 R HN 0.385 nan 8.270 nan 0.000 0.488 115 T N -2.183 112.370 114.554 -0.002 0.000 2.906 115 T HA 0.787 5.137 4.350 -0.001 0.000 0.295 115 T C -0.928 173.743 174.700 -0.048 0.000 1.061 115 T CA -0.906 61.184 62.100 -0.018 0.000 1.000 115 T CB 2.076 70.914 68.868 -0.050 0.000 1.103 115 T HN 0.639 nan 8.240 nan 0.000 0.486 116 A N 2.213 125.006 122.820 -0.046 0.000 2.371 116 A HA 0.802 5.121 4.320 -0.001 0.000 0.311 116 A C -1.037 176.374 177.584 -0.289 0.000 1.068 116 A CA -0.924 51.053 52.037 -0.100 0.000 0.744 116 A CB 1.363 20.438 19.000 0.126 0.000 1.239 116 A HN 1.085 nan 8.150 nan 0.000 0.435 117 L N 2.482 123.490 121.223 -0.358 0.000 2.322 117 L HA 0.834 5.173 4.340 -0.001 0.000 0.281 117 L C 0.220 176.767 176.870 -0.538 0.000 1.014 117 L CA -0.092 54.420 54.840 -0.547 0.000 0.815 117 L CB 1.741 43.545 42.059 -0.424 0.000 1.247 117 L HN 0.839 nan 8.230 nan 0.000 0.421 118 G N 2.846 111.214 108.800 -0.720 0.000 2.605 118 G HA2 0.581 4.541 3.960 -0.001 0.000 0.296 118 G HA3 0.581 4.541 3.960 -0.001 0.000 0.296 118 G C -1.687 172.898 174.900 -0.525 0.000 1.304 118 G CA -0.514 44.379 45.100 -0.345 0.000 0.941 118 G HN 0.370 nan 8.290 nan 0.000 0.475 119 F N 1.263 121.317 119.950 0.174 0.000 2.308 119 F HA 0.381 4.908 4.527 -0.000 0.000 0.370 119 F C 0.647 176.533 175.800 0.142 0.000 1.100 119 F CA -0.796 57.276 58.000 0.120 0.000 1.108 119 F CB 1.532 40.589 39.000 0.094 0.000 1.293 119 F HN 0.042 nan 8.300 nan 0.000 0.478 120 Q N 4.713 124.658 119.800 0.241 0.000 2.259 120 Q HA 0.327 4.667 4.340 -0.001 0.000 0.246 120 Q C -2.440 173.666 176.000 0.177 0.000 0.920 120 Q CA -1.952 53.968 55.803 0.196 0.000 0.895 120 Q CB 1.560 30.403 28.738 0.176 0.000 1.220 120 Q HN 0.251 nan 8.270 nan 0.000 0.439 121 P HA 0.152 nan 4.420 nan 0.000 0.281 121 P C -0.602 176.738 177.300 0.067 0.000 1.252 121 P CA 0.055 63.213 63.100 0.097 0.000 0.778 121 P CB 1.469 33.205 31.700 0.060 0.000 0.895 122 S N 2.594 118.335 115.700 0.068 0.000 2.998 122 S HA 0.349 4.819 4.470 -0.001 0.000 0.323 122 S C -1.180 173.416 174.600 -0.006 0.000 1.141 122 S CA -0.819 57.419 58.200 0.064 0.000 0.873 122 S CB 0.192 63.501 63.200 0.183 0.000 1.315 122 S HN 0.410 nan 8.310 nan 0.000 0.637 123 Y N 2.238 122.379 120.300 -0.264 0.000 2.632 123 Y HA 0.100 4.649 4.550 -0.001 0.000 0.329 123 Y C 1.691 177.352 175.900 -0.398 0.000 1.174 123 Y CA 0.535 58.397 58.100 -0.397 0.000 1.469 123 Y CB 0.660 38.716 38.460 -0.673 0.000 1.242 123 Y HN 0.745 nan 8.280 nan 0.000 0.540 124 S N 4.714 120.181 115.700 -0.390 0.000 2.474 124 S HA -0.168 4.301 4.470 -0.001 0.000 0.235 124 S C 1.424 175.557 174.600 -0.778 0.000 0.997 124 S CA 0.777 58.723 58.200 -0.423 0.000 0.949 124 S CB -0.047 63.102 63.200 -0.085 0.000 0.766 124 S HN 0.818 nan 8.310 nan 0.000 0.517 125 M N 1.196 119.942 119.600 -1.423 0.000 2.562 125 M HA 0.102 4.582 4.480 -0.001 0.000 0.257 125 M C 1.654 177.507 176.300 -0.744 0.000 1.099 125 M CA 0.804 55.390 55.300 -1.189 0.000 1.099 125 M CB -1.296 30.537 32.600 -1.279 0.000 1.427 125 M HN 0.544 nan 8.290 nan 0.000 0.489 126 H N 0.735 119.315 119.070 -0.816 0.000 2.267 126 H HA -0.109 4.447 4.556 -0.001 0.000 0.297 126 H C -0.509 174.399 175.328 -0.700 0.000 1.080 126 H CA 1.374 56.941 56.048 -0.802 0.000 1.278 126 H CB -1.185 27.994 29.762 -0.972 0.000 1.365 126 H HN 0.252 nan 8.280 nan 0.000 0.489 127 P HA -0.131 nan 4.420 nan 0.000 0.218 127 P C 1.427 178.435 177.300 -0.488 0.000 1.149 127 P CA 1.331 63.803 63.100 -1.046 0.000 0.817 127 P CB -0.038 30.910 31.700 -1.253 0.000 0.785 128 I N -0.687 119.619 120.570 -0.440 0.000 2.202 128 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 128 I C 2.605 178.577 176.117 -0.243 0.000 1.091 128 I CA 1.254 62.358 61.300 -0.325 0.000 1.368 128 I CB -0.645 37.116 38.000 -0.399 0.000 1.058 128 I HN -0.153 nan 8.210 nan 0.000 0.410 129 L N 0.423 121.504 121.223 -0.236 0.000 2.093 129 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 129 L C 2.870 179.711 176.870 -0.048 0.000 1.085 129 L CA 1.137 55.906 54.840 -0.119 0.000 0.755 129 L CB -0.755 41.265 42.059 -0.066 0.000 0.904 129 L HN 0.241 nan 8.230 nan 0.000 0.435 130 A N 0.427 123.233 122.820 -0.022 0.000 1.851 130 A HA -0.294 4.026 4.320 -0.001 0.000 0.216 130 A C 2.415 179.995 177.584 -0.007 0.000 1.195 130 A CA 2.241 54.322 52.037 0.074 0.000 0.622 130 A CB -0.570 18.552 19.000 0.204 0.000 0.831 130 A HN 0.328 nan 8.150 nan 0.000 0.444 131 K N -0.809 119.548 120.400 -0.071 0.000 2.032 131 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 131 K C 2.044 178.514 176.600 -0.217 0.000 1.048 131 K CA 1.559 57.781 56.287 -0.108 0.000 0.927 131 K CB -0.633 31.798 32.500 -0.114 0.000 0.712 131 K HN 0.407 nan 8.250 nan 0.000 0.441 132 G N 0.004 108.686 108.800 -0.195 0.000 2.450 132 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.220 132 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.220 132 G C 1.333 176.061 174.900 -0.286 0.000 1.130 132 G CA 1.511 46.474 45.100 -0.228 0.000 0.760 132 G HN 0.564 nan 8.290 nan 0.000 0.557 133 T N -3.296 111.153 114.554 -0.175 0.000 3.163 133 T HA 0.183 4.533 4.350 -0.001 0.000 0.252 133 T C 0.852 175.552 174.700 0.000 0.000 1.056 133 T CA 0.241 62.301 62.100 -0.067 0.000 0.947 133 T CB -0.331 68.553 68.868 0.028 0.000 1.016 133 T HN 0.522 nan 8.240 nan 0.000 0.554 134 H N 0.124 119.209 119.070 0.024 0.000 2.862 134 H HA -0.118 4.438 4.556 -0.000 0.000 0.290 134 H C -0.658 174.690 175.328 0.033 0.000 1.211 134 H CA 1.119 57.180 56.048 0.022 0.000 1.140 134 H CB -2.521 27.248 29.762 0.012 0.000 1.341 134 H HN 0.461 nan 8.280 nan 0.000 0.392 135 T N 1.068 115.681 114.554 0.098 0.000 2.767 135 T HA 0.241 4.590 4.350 -0.001 0.000 0.288 135 T C 0.643 175.412 174.700 0.115 0.000 0.963 135 T CA -0.634 61.529 62.100 0.104 0.000 1.019 135 T CB 2.335 71.273 68.868 0.115 0.000 0.923 135 T HN 0.264 nan 8.240 nan 0.000 0.468 136 E N 2.657 122.916 120.200 0.098 0.000 2.376 136 E HA 0.159 4.509 4.350 -0.001 0.000 0.266 136 E C -1.073 175.613 176.600 0.143 0.000 1.009 136 E CA -0.309 56.152 56.400 0.101 0.000 0.902 136 E CB 0.430 30.163 29.700 0.055 0.000 0.972 136 E HN 0.467 nan 8.360 nan 0.000 0.439 137 F N 5.358 125.314 119.950 0.010 0.000 2.420 137 F HA 0.420 4.947 4.527 -0.001 0.000 0.342 137 F C -0.677 175.120 175.800 -0.006 0.000 1.113 137 F CA -0.743 57.265 58.000 0.014 0.000 1.059 137 F CB 0.747 39.754 39.000 0.013 0.000 1.128 137 F HN 0.340 nan 8.300 nan 0.000 0.475 138 I N 6.093 126.277 120.570 -0.644 0.000 2.355 138 I HA 0.425 4.595 4.170 -0.001 0.000 0.288 138 I C -0.313 175.390 176.117 -0.691 0.000 0.999 138 I CA -0.732 60.288 61.300 -0.466 0.000 1.163 138 I CB 1.415 39.221 38.000 -0.324 0.000 1.316 138 I HN 0.729 nan 8.210 nan 0.000 0.454 139 A N 7.058 129.708 122.820 -0.283 0.000 2.269 139 A HA 0.638 4.958 4.320 -0.001 0.000 0.302 139 A C -0.335 177.195 177.584 -0.091 0.000 1.266 139 A CA -0.361 51.615 52.037 -0.101 0.000 0.894 139 A CB 0.452 19.549 19.000 0.162 0.000 1.147 139 A HN 0.478 nan 8.150 nan 0.000 0.537 140 V N 2.922 122.765 119.914 -0.118 0.000 2.435 140 V HA 0.300 4.419 4.120 -0.001 0.000 0.290 140 V C 0.572 176.739 176.094 0.121 0.000 1.030 140 V CA -0.425 61.876 62.300 0.001 0.000 0.881 140 V CB 1.746 33.578 31.823 0.016 0.000 0.983 140 V HN 0.898 nan 8.190 nan 0.000 0.445 141 S N 4.729 120.495 115.700 0.110 0.000 2.528 141 S HA 0.396 4.866 4.470 -0.001 0.000 0.277 141 S C 0.384 175.058 174.600 0.125 0.000 1.297 141 S CA -0.502 57.762 58.200 0.106 0.000 1.052 141 S CB 0.398 63.631 63.200 0.056 0.000 0.917 141 S HN 0.617 nan 8.310 nan 0.000 0.492 142 R N 1.055 121.630 120.500 0.124 0.000 2.774 142 R HA 0.322 4.662 4.340 -0.001 0.000 0.269 142 R C 1.213 177.503 176.300 -0.017 0.000 1.068 142 R CA 0.008 56.154 56.100 0.076 0.000 1.180 142 R CB 0.156 30.521 30.300 0.108 0.000 1.077 142 R HN 0.728 nan 8.270 nan 0.000 0.513 143 G N -0.423 108.353 108.800 -0.041 0.000 2.621 143 G HA2 0.254 4.214 3.960 -0.001 0.000 0.271 143 G HA3 0.254 4.214 3.960 -0.001 0.000 0.271 143 G C 0.768 175.554 174.900 -0.191 0.000 1.236 143 G CA 0.049 45.100 45.100 -0.081 0.000 0.958 143 G HN 0.660 nan 8.290 nan 0.000 0.512 144 A N -0.176 122.544 122.820 -0.166 0.000 1.978 144 A HA -0.096 4.223 4.320 -0.001 0.000 0.220 144 A C 1.832 179.275 177.584 -0.234 0.000 1.170 144 A CA 2.225 54.129 52.037 -0.222 0.000 0.636 144 A CB -0.387 18.553 19.000 -0.099 0.000 0.810 144 A HN 0.650 nan 8.150 nan 0.000 0.448 145 D N -3.087 117.259 120.400 -0.089 0.000 2.319 145 D HA 0.090 4.730 4.640 -0.001 0.000 0.230 145 D C 0.324 176.737 176.300 0.188 0.000 1.094 145 D CA -0.232 53.803 54.000 0.060 0.000 0.856 145 D CB -0.763 40.079 40.800 0.069 0.000 0.915 145 D HN 0.340 nan 8.370 nan 0.000 0.517 146 F N -0.674 119.302 119.950 0.044 0.000 2.890 146 F HA -0.303 4.223 4.527 -0.001 0.000 0.346 146 F C 0.793 176.596 175.800 0.005 0.000 0.660 146 F CA 0.616 58.628 58.000 0.020 0.000 1.091 146 F CB -1.595 37.417 39.000 0.021 0.000 1.535 146 F HN 0.043 nan 8.300 nan 0.000 0.314 147 R N 0.436 121.009 120.500 0.123 0.000 2.546 147 R HA 0.624 4.963 4.340 -0.001 0.000 0.266 147 R C 0.415 176.723 176.300 0.013 0.000 1.086 147 R CA -1.021 55.115 56.100 0.061 0.000 1.160 147 R CB 0.785 31.108 30.300 0.038 0.000 1.138 147 R HN 0.087 nan 8.270 nan 0.000 0.567 148 I N 1.495 122.039 120.570 -0.043 0.000 2.618 148 I HA -0.091 4.079 4.170 -0.001 0.000 0.284 148 I C 0.403 176.456 176.117 -0.107 0.000 1.146 148 I CA 0.285 61.504 61.300 -0.134 0.000 1.425 148 I CB 0.267 38.058 38.000 -0.347 0.000 1.383 148 I HN 0.420 nan 8.210 nan 0.000 0.562 149 D N 7.911 128.265 120.400 -0.076 0.000 2.380 149 D HA 0.101 4.740 4.640 -0.001 0.000 0.230 149 D C 0.819 177.077 176.300 -0.070 0.000 1.154 149 D CA -0.372 53.597 54.000 -0.051 0.000 0.859 149 D CB 1.063 41.852 40.800 -0.018 0.000 1.045 149 D HN 0.375 nan 8.370 nan 0.000 0.495 150 M N 2.329 121.881 119.600 -0.080 0.000 2.175 150 M HA -0.115 4.364 4.480 -0.001 0.000 0.264 150 M C 1.064 177.338 176.300 -0.043 0.000 1.063 150 M CA 0.963 56.211 55.300 -0.088 0.000 1.119 150 M CB -0.467 32.086 32.600 -0.078 0.000 1.377 150 M HN 0.385 nan 8.290 nan 0.000 0.415 151 D N 0.215 120.600 120.400 -0.024 0.000 2.104 151 D HA -0.140 4.500 4.640 -0.001 0.000 0.194 151 D C 2.156 178.460 176.300 0.006 0.000 0.994 151 D CA 1.180 55.175 54.000 -0.008 0.000 0.830 151 D CB -0.461 40.336 40.800 -0.006 0.000 0.959 151 D HN 0.217 nan 8.370 nan 0.000 0.452 152 V N 0.886 120.808 119.914 0.013 0.000 2.343 152 V HA -0.201 3.919 4.120 -0.001 0.000 0.247 152 V C 2.174 178.313 176.094 0.075 0.000 1.051 152 V CA 2.250 64.573 62.300 0.038 0.000 1.036 152 V CB -0.471 31.379 31.823 0.044 0.000 0.654 152 V HN 0.181 nan 8.190 nan 0.000 0.451 153 A N 0.009 122.878 122.820 0.081 0.000 1.858 153 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 153 A C 2.153 179.816 177.584 0.133 0.000 1.190 153 A CA 2.174 54.324 52.037 0.187 0.000 0.617 153 A CB -0.710 18.272 19.000 -0.029 0.000 0.827 153 A HN 0.586 nan 8.150 nan 0.000 0.443 154 L N -0.822 120.429 121.223 0.047 0.000 2.083 154 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 154 L C 2.639 179.527 176.870 0.029 0.000 1.083 154 L CA 1.725 56.584 54.840 0.030 0.000 0.752 154 L CB -0.542 41.518 42.059 0.003 0.000 0.899 154 L HN 0.625 nan 8.230 nan 0.000 0.433 155 E N 0.256 120.472 120.200 0.028 0.000 2.051 155 E HA -0.231 4.118 4.350 -0.001 0.000 0.192 155 E C 2.022 178.634 176.600 0.020 0.000 0.991 155 E CA 1.202 57.614 56.400 0.020 0.000 0.799 155 E CB 0.197 29.908 29.700 0.018 0.000 0.748 155 E HN 0.371 nan 8.360 nan 0.000 0.449 156 E N 0.455 120.675 120.200 0.034 0.000 2.107 156 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 156 E C 2.237 178.837 176.600 -0.000 0.000 0.982 156 E CA 0.687 57.097 56.400 0.016 0.000 0.809 156 E CB -0.178 29.535 29.700 0.022 0.000 0.756 156 E HN 0.454 nan 8.360 nan 0.000 0.459 157 I N 0.803 121.386 120.570 0.022 0.000 2.179 157 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 157 I C 2.601 178.712 176.117 -0.009 0.000 1.088 157 I CA 1.059 62.360 61.300 0.001 0.000 1.357 157 I CB -0.197 37.821 38.000 0.030 0.000 1.051 157 I HN -0.001 nan 8.210 nan 0.000 0.409 158 R N 0.672 121.172 120.500 0.000 0.000 2.083 158 R HA -0.174 4.165 4.340 -0.001 0.000 0.237 158 R C 2.444 178.739 176.300 -0.008 0.000 1.137 158 R CA 1.681 57.778 56.100 -0.004 0.000 0.951 158 R CB -0.527 29.774 30.300 0.001 0.000 0.851 158 R HN 0.388 nan 8.270 nan 0.000 0.434 159 A N 1.119 123.935 122.820 -0.008 0.000 1.898 159 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 159 A C 1.834 179.407 177.584 -0.019 0.000 1.181 159 A CA 1.270 53.301 52.037 -0.011 0.000 0.620 159 A CB -0.046 18.949 19.000 -0.009 0.000 0.819 159 A HN 0.054 nan 8.150 nan 0.000 0.442 160 K N -1.064 119.319 120.400 -0.028 0.000 2.323 160 K HA 0.059 4.378 4.320 -0.001 0.000 0.197 160 K C -0.151 176.425 176.600 -0.041 0.000 1.043 160 K CA 0.226 56.490 56.287 -0.039 0.000 0.997 160 K CB 0.149 32.613 32.500 -0.060 0.000 0.807 160 K HN 0.475 nan 8.250 nan 0.000 0.497 161 Q N 0.620 120.398 119.800 -0.037 0.000 2.453 161 Q HA -0.136 4.204 4.340 -0.001 0.000 0.330 161 Q C -2.300 173.670 176.000 -0.049 0.000 1.417 161 Q CA 0.493 56.274 55.803 -0.036 0.000 0.902 161 Q CB -1.960 26.763 28.738 -0.025 0.000 1.154 161 Q HN 0.322 nan 8.270 nan 0.000 0.395 162 P HA 0.035 nan 4.420 nan 0.000 0.271 162 P C 0.539 177.789 177.300 -0.084 0.000 1.216 162 P CA -0.048 62.996 63.100 -0.093 0.000 0.776 162 P CB 0.726 32.342 31.700 -0.141 0.000 0.881 163 D N 1.463 121.820 120.400 -0.071 0.000 2.178 163 D HA -0.011 4.628 4.640 -0.001 0.000 0.202 163 D C 0.730 176.974 176.300 -0.094 0.000 0.974 163 D CA 1.415 55.385 54.000 -0.050 0.000 0.841 163 D CB 0.324 41.117 40.800 -0.012 0.000 0.953 163 D HN 0.388 nan 8.370 nan 0.000 0.478 164 I N 0.701 121.173 120.570 -0.162 0.000 2.582 164 I HA 0.174 4.343 4.170 -0.001 0.000 0.292 164 I C -0.813 175.091 176.117 -0.356 0.000 1.066 164 I CA -0.738 60.386 61.300 -0.294 0.000 1.053 164 I CB 3.124 40.891 38.000 -0.388 0.000 1.241 164 I HN -0.382 nan 8.210 nan 0.000 0.421 165 V N 5.900 125.595 119.914 -0.364 0.000 2.448 165 V HA 0.419 4.538 4.120 -0.001 0.000 0.295 165 V C -0.619 175.271 176.094 -0.340 0.000 1.025 165 V CA -0.583 61.539 62.300 -0.296 0.000 0.859 165 V CB 1.578 33.332 31.823 -0.116 0.000 0.988 165 V HN 0.380 nan 8.190 nan 0.000 0.431 166 F N 3.591 123.482 119.950 -0.099 0.000 2.411 166 F HA 0.579 5.106 4.527 -0.001 0.000 0.350 166 F C 0.149 176.046 175.800 0.162 0.000 1.114 166 F CA -0.568 57.404 58.000 -0.046 0.000 1.135 166 F CB 1.662 40.595 39.000 -0.112 0.000 1.120 166 F HN 0.174 nan 8.300 nan 0.000 0.495 167 V N 2.891 123.019 119.914 0.355 0.000 2.443 167 V HA 0.325 4.444 4.120 -0.001 0.000 0.293 167 V C -0.367 175.910 176.094 0.304 0.000 1.021 167 V CA -0.746 61.766 62.300 0.353 0.000 0.848 167 V CB 1.685 33.633 31.823 0.208 0.000 0.998 167 V HN 0.739 nan 8.190 nan 0.000 0.424 168 T N 2.975 117.730 114.554 0.335 0.000 2.749 168 T HA 0.568 4.917 4.350 -0.001 0.000 0.287 168 T C -0.014 174.816 174.700 0.217 0.000 0.970 168 T CA -0.319 61.959 62.100 0.296 0.000 0.980 168 T CB 1.255 70.313 68.868 0.316 0.000 0.924 168 T HN 0.731 nan 8.240 nan 0.000 0.456 169 T N 4.535 119.206 114.554 0.195 0.000 3.483 169 T HA 0.426 4.775 4.350 -0.001 0.000 0.329 169 T C -2.959 171.843 174.700 0.170 0.000 1.014 169 T CA -1.531 60.661 62.100 0.154 0.000 1.056 169 T CB 0.932 69.862 68.868 0.102 0.000 1.090 169 T HN 0.150 nan 8.240 nan 0.000 0.460 170 P HA 0.131 nan 4.420 nan 0.000 0.265 170 P C -0.446 176.981 177.300 0.211 0.000 1.187 170 P CA -0.130 63.062 63.100 0.152 0.000 0.766 170 P CB 0.357 32.120 31.700 0.105 0.000 0.820 171 N N 2.442 121.227 118.700 0.142 0.000 2.530 171 N HA 0.080 4.820 4.740 -0.001 0.000 0.273 171 N C -0.388 175.230 175.510 0.179 0.000 1.173 171 N CA -0.088 53.055 53.050 0.155 0.000 0.967 171 N CB 0.011 38.556 38.487 0.096 0.000 1.109 171 N HN 0.235 nan 8.380 nan 0.000 0.453 172 N N 3.038 121.804 118.700 0.110 0.000 2.424 172 N HA 0.405 5.145 4.740 -0.001 0.000 0.271 172 N C -2.325 173.100 175.510 -0.141 0.000 0.985 172 N CA -2.090 50.890 53.050 -0.117 0.000 0.921 172 N CB 1.733 40.127 38.487 -0.156 0.000 1.149 172 N HN 0.407 nan 8.380 nan 0.000 0.492 173 P HA 0.133 nan 4.420 nan 0.000 0.275 173 P C 0.572 177.654 177.300 -0.363 0.000 1.310 173 P CA 0.281 63.113 63.100 -0.448 0.000 0.904 173 P CB 0.314 31.740 31.700 -0.456 0.000 1.381 174 T N -4.838 109.490 114.554 -0.377 0.000 3.035 174 T HA 0.270 4.619 4.350 -0.001 0.000 0.259 174 T C 1.710 176.394 174.700 -0.027 0.000 1.078 174 T CA 1.213 63.073 62.100 -0.399 0.000 1.132 174 T CB -0.863 67.781 68.868 -0.373 0.000 0.900 174 T HN 0.173 nan 8.240 nan 0.000 0.480 175 G N 2.422 111.252 108.800 0.050 0.000 2.213 175 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.236 175 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.236 175 G C -0.187 174.656 174.900 -0.094 0.000 0.991 175 G CA 0.053 45.065 45.100 -0.146 0.000 0.629 175 G HN 0.917 nan 8.290 nan 0.000 0.517 176 D N 1.125 121.517 120.400 -0.014 0.000 2.382 176 D HA 0.391 5.031 4.640 -0.001 0.000 0.245 176 D C 0.868 177.182 176.300 0.023 0.000 1.120 176 D CA 0.243 54.248 54.000 0.009 0.000 0.890 176 D CB 2.028 42.851 40.800 0.037 0.000 1.201 176 D HN 0.936 nan 8.370 nan 0.000 0.433 177 V N -0.025 119.902 119.914 0.021 0.000 2.546 177 V HA 0.350 4.470 4.120 -0.001 0.000 0.284 177 V C 0.177 176.285 176.094 0.022 0.000 1.050 177 V CA -0.574 61.746 62.300 0.033 0.000 0.981 177 V CB 1.054 32.896 31.823 0.031 0.000 0.990 177 V HN 0.541 nan 8.190 nan 0.000 0.474 178 T N 4.944 119.511 114.554 0.022 0.000 2.728 178 T HA 0.371 4.721 4.350 -0.001 0.000 0.296 178 T C 0.594 175.293 174.700 -0.002 0.000 0.940 178 T CA 0.220 62.317 62.100 -0.005 0.000 1.013 178 T CB 0.532 69.385 68.868 -0.024 0.000 0.912 178 T HN 1.271 nan 8.240 nan 0.000 0.484 179 S N 4.027 119.721 115.700 -0.008 0.000 2.566 179 S HA 0.129 4.598 4.470 -0.001 0.000 0.280 179 S C 1.554 176.151 174.600 -0.004 0.000 1.343 179 S CA -0.739 57.460 58.200 -0.002 0.000 1.036 179 S CB 0.283 63.480 63.200 -0.004 0.000 0.866 179 S HN 0.632 nan 8.310 nan 0.000 0.526 180 L N 0.686 121.913 121.223 0.006 0.000 2.131 180 L HA -0.123 4.217 4.340 -0.001 0.000 0.210 180 L C 2.076 178.949 176.870 0.005 0.000 1.092 180 L CA 1.467 56.313 54.840 0.010 0.000 0.759 180 L CB -0.708 41.365 42.059 0.023 0.000 0.903 180 L HN 0.703 nan 8.230 nan 0.000 0.435 181 D N 0.059 120.462 120.400 0.005 0.000 2.123 181 D HA -0.190 4.449 4.640 -0.001 0.000 0.196 181 D C 1.762 178.052 176.300 -0.018 0.000 0.992 181 D CA 1.225 55.227 54.000 0.003 0.000 0.833 181 D CB -0.148 40.654 40.800 0.004 0.000 0.954 181 D HN 0.273 nan 8.370 nan 0.000 0.455 182 D N -0.229 120.152 120.400 -0.031 0.000 2.178 182 D HA -0.071 4.569 4.640 -0.001 0.000 0.202 182 D C 2.269 178.524 176.300 -0.075 0.000 0.974 182 D CA 0.254 54.220 54.000 -0.057 0.000 0.841 182 D CB -0.072 40.685 40.800 -0.071 0.000 0.953 182 D HN 0.063 nan 8.370 nan 0.000 0.478 183 V N 1.229 121.106 119.914 -0.061 0.000 2.343 183 V HA -0.206 3.914 4.120 -0.001 0.000 0.247 183 V C 2.328 178.352 176.094 -0.117 0.000 1.051 183 V CA 1.499 63.756 62.300 -0.073 0.000 1.036 183 V CB -0.399 31.398 31.823 -0.043 0.000 0.654 183 V HN 0.200 nan 8.190 nan 0.000 0.451 184 E N -0.050 120.093 120.200 -0.095 0.000 2.118 184 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 184 E C 2.489 179.004 176.600 -0.141 0.000 0.992 184 E CA 1.259 57.576 56.400 -0.138 0.000 0.804 184 E CB -0.141 29.569 29.700 0.017 0.000 0.741 184 E HN 0.557 nan 8.360 nan 0.000 0.458 185 R N 0.213 120.666 120.500 -0.079 0.000 2.092 185 R HA -0.076 4.263 4.340 -0.001 0.000 0.231 185 R C 2.383 178.637 176.300 -0.078 0.000 1.119 185 R CA 0.963 57.026 56.100 -0.061 0.000 0.970 185 R CB -0.191 30.082 30.300 -0.044 0.000 0.864 185 R HN 0.187 nan 8.270 nan 0.000 0.440 186 I N 0.435 120.950 120.570 -0.092 0.000 2.252 186 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 186 I C 2.123 178.178 176.117 -0.103 0.000 1.102 186 I CA 1.279 62.540 61.300 -0.066 0.000 1.385 186 I CB -0.149 37.828 38.000 -0.039 0.000 1.064 186 I HN 0.108 nan 8.210 nan 0.000 0.414 187 I N 0.739 121.186 120.570 -0.204 0.000 2.226 187 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 187 I C 2.004 177.970 176.117 -0.250 0.000 1.100 187 I CA 1.741 62.857 61.300 -0.306 0.000 1.374 187 I CB -0.532 37.092 38.000 -0.626 0.000 1.057 187 I HN 0.267 nan 8.210 nan 0.000 0.413 188 N N 0.070 118.640 118.700 -0.216 0.000 2.166 188 N HA -0.158 4.581 4.740 -0.001 0.000 0.186 188 N C 1.777 177.270 175.510 -0.029 0.000 1.019 188 N CA 1.561 54.572 53.050 -0.065 0.000 0.856 188 N CB 0.051 38.540 38.487 0.004 0.000 0.993 188 N HN 0.321 nan 8.380 nan 0.000 0.426 189 V N -2.197 117.693 119.914 -0.039 0.000 3.052 189 V HA 0.325 4.444 4.120 -0.001 0.000 0.254 189 V C 0.830 176.909 176.094 -0.025 0.000 1.100 189 V CA 0.060 62.348 62.300 -0.020 0.000 1.112 189 V CB -0.839 30.978 31.823 -0.011 0.000 0.738 189 V HN 0.118 nan 8.190 nan 0.000 0.469 190 A N 2.805 125.598 122.820 -0.044 0.000 2.492 190 A HA 0.470 4.790 4.320 -0.001 0.000 0.254 190 A C -0.606 176.953 177.584 -0.042 0.000 1.091 190 A CA -0.459 51.548 52.037 -0.051 0.000 0.768 190 A CB -0.024 18.930 19.000 -0.076 0.000 1.028 190 A HN 0.463 nan 8.150 nan 0.000 0.498 191 P HA 0.036 nan 4.420 nan 0.000 0.226 191 P C 1.115 178.401 177.300 -0.023 0.000 1.161 191 P CA 1.486 64.572 63.100 -0.023 0.000 0.804 191 P CB 0.411 32.099 31.700 -0.020 0.000 0.829 192 G N 0.923 109.698 108.800 -0.041 0.000 2.992 192 G HA2 0.488 4.447 3.960 -0.001 0.000 0.201 192 G HA3 0.488 4.447 3.960 -0.001 0.000 0.201 192 G C 0.229 175.085 174.900 -0.072 0.000 2.057 192 G CA -0.185 44.892 45.100 -0.039 0.000 0.800 192 G HN 0.264 nan 8.290 nan 0.000 0.700 193 I N -1.742 118.747 120.570 -0.136 0.000 2.846 193 I HA 0.787 4.957 4.170 -0.001 0.000 0.307 193 I C -1.242 174.735 176.117 -0.233 0.000 1.053 193 I CA -1.206 59.972 61.300 -0.203 0.000 1.050 193 I CB 2.531 40.318 38.000 -0.355 0.000 1.239 193 I HN 0.099 nan 8.210 nan 0.000 0.439 194 V N 5.064 124.833 119.914 -0.242 0.000 2.444 194 V HA 0.440 4.560 4.120 -0.001 0.000 0.294 194 V C -0.077 175.855 176.094 -0.271 0.000 1.022 194 V CA -0.371 61.790 62.300 -0.233 0.000 0.850 194 V CB 1.615 33.339 31.823 -0.165 0.000 0.992 194 V HN 0.525 nan 8.190 nan 0.000 0.426 195 I N 5.288 125.686 120.570 -0.286 0.000 2.297 195 I HA 0.306 4.476 4.170 -0.001 0.000 0.291 195 I C -0.253 175.841 176.117 -0.039 0.000 1.033 195 I CA -0.507 60.666 61.300 -0.212 0.000 1.253 195 I CB 1.540 39.405 38.000 -0.224 0.000 1.396 195 I HN 0.282 nan 8.210 nan 0.000 0.476 196 V N 5.586 125.483 119.914 -0.028 0.000 2.368 196 V HA 0.102 4.221 4.120 -0.001 0.000 0.266 196 V C 0.172 176.317 176.094 0.086 0.000 1.045 196 V CA -0.354 61.976 62.300 0.049 0.000 0.899 196 V CB 1.155 32.990 31.823 0.020 0.000 1.006 196 V HN 0.603 nan 8.190 nan 0.000 0.470 197 D N 4.610 125.111 120.400 0.168 0.000 2.411 197 D HA 0.142 4.782 4.640 -0.001 0.000 0.225 197 D C 0.527 176.906 176.300 0.133 0.000 1.156 197 D CA -0.134 53.974 54.000 0.179 0.000 0.874 197 D CB 0.855 41.853 40.800 0.331 0.000 1.034 197 D HN 0.625 nan 8.370 nan 0.000 0.502 198 E N 2.396 122.636 120.200 0.066 0.000 2.405 198 E HA 0.167 4.517 4.350 -0.001 0.000 0.214 198 E C 1.325 177.916 176.600 -0.014 0.000 1.101 198 E CA -0.381 56.054 56.400 0.057 0.000 1.254 198 E CB 0.597 30.325 29.700 0.047 0.000 1.240 198 E HN 0.534 nan 8.360 nan 0.000 0.439 199 A N 0.179 122.937 122.820 -0.104 0.000 1.958 199 A HA -0.213 4.106 4.320 -0.001 0.000 0.221 199 A C 1.145 178.465 177.584 -0.441 0.000 1.178 199 A CA 1.444 53.263 52.037 -0.362 0.000 0.642 199 A CB -0.379 18.237 19.000 -0.641 0.000 0.816 199 A HN 0.392 nan 8.150 nan 0.000 0.453 200 Y N -1.319 119.082 120.300 0.168 0.000 2.607 200 Y HA 0.497 5.047 4.550 -0.001 0.000 0.266 200 Y C 2.141 178.168 175.900 0.212 0.000 1.178 200 Y CA -0.322 57.953 58.100 0.291 0.000 1.226 200 Y CB -0.440 38.211 38.460 0.318 0.000 1.144 200 Y HN 0.287 nan 8.280 nan 0.000 0.528 201 A N 0.303 123.227 122.820 0.173 0.000 1.940 201 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 201 A C 1.922 179.544 177.584 0.064 0.000 1.176 201 A CA 1.924 54.032 52.037 0.118 0.000 0.631 201 A CB -0.277 18.769 19.000 0.076 0.000 0.814 201 A HN 0.385 nan 8.150 nan 0.000 0.446 202 E N -0.860 119.321 120.200 -0.031 0.000 2.267 202 E HA -0.134 4.216 4.350 -0.001 0.000 0.197 202 E C 1.162 177.642 176.600 -0.201 0.000 0.998 202 E CA 1.054 57.353 56.400 -0.169 0.000 0.830 202 E CB -0.357 29.141 29.700 -0.337 0.000 0.751 202 E HN 0.719 nan 8.360 nan 0.000 0.491 203 F N -0.370 119.621 119.950 0.067 0.000 2.780 203 F HA 0.148 4.674 4.527 -0.001 0.000 0.299 203 F C 0.951 176.756 175.800 0.008 0.000 1.146 203 F CA 0.207 58.229 58.000 0.037 0.000 1.428 203 F CB 0.320 39.344 39.000 0.040 0.000 1.115 203 F HN -0.238 nan 8.300 nan 0.000 0.583 204 S N 0.753 116.546 115.700 0.155 0.000 2.478 204 S HA 0.350 4.819 4.470 -0.001 0.000 0.312 204 S C -1.639 172.991 174.600 0.050 0.000 1.094 204 S CA -1.615 56.638 58.200 0.088 0.000 1.081 204 S CB 1.287 64.534 63.200 0.079 0.000 1.007 204 S HN -0.169 nan 8.310 nan 0.000 0.475 205 P HA -0.004 nan 4.420 nan 0.000 0.230 205 P C 0.460 177.768 177.300 0.013 0.000 1.158 205 P CA 0.357 63.467 63.100 0.017 0.000 0.769 205 P CB -0.403 31.305 31.700 0.014 0.000 0.807 206 S N 1.289 117.001 115.700 0.021 0.000 2.580 206 S HA 0.259 4.728 4.470 -0.001 0.000 0.266 206 S C -1.937 172.673 174.600 0.017 0.000 1.354 206 S CA -1.102 57.109 58.200 0.019 0.000 1.008 206 S CB -0.980 62.234 63.200 0.024 0.000 0.898 206 S HN 0.065 nan 8.310 nan 0.000 0.555 207 P HA 0.200 nan 4.420 nan 0.000 0.271 207 P C -0.229 177.084 177.300 0.021 0.000 1.218 207 P CA -0.345 62.763 63.100 0.013 0.000 0.780 207 P CB 0.786 32.495 31.700 0.014 0.000 0.901 208 S N 1.241 116.952 115.700 0.018 0.000 2.592 208 S HA 0.341 4.810 4.470 -0.001 0.000 0.271 208 S C 1.514 176.133 174.600 0.033 0.000 1.326 208 S CA -0.036 58.181 58.200 0.028 0.000 1.024 208 S CB 0.234 63.449 63.200 0.025 0.000 0.921 208 S HN 0.492 nan 8.310 nan 0.000 0.527 209 A N 2.752 125.594 122.820 0.037 0.000 2.216 209 A HA 0.017 4.337 4.320 -0.001 0.000 0.214 209 A C 2.158 179.769 177.584 0.045 0.000 1.160 209 A CA 1.625 53.684 52.037 0.037 0.000 0.725 209 A CB -1.442 17.574 19.000 0.025 0.000 0.784 209 A HN 1.099 nan 8.150 nan 0.000 0.472 210 T N -1.814 112.767 114.554 0.046 0.000 2.849 210 T HA -0.212 4.137 4.350 -0.001 0.000 0.270 210 T C 1.765 176.496 174.700 0.051 0.000 1.066 210 T CA 2.128 64.261 62.100 0.054 0.000 1.130 210 T CB -1.400 67.501 68.868 0.056 0.000 0.864 210 T HN 0.672 nan 8.240 nan 0.000 0.481 211 T N 0.097 114.677 114.554 0.043 0.000 3.051 211 T HA 0.152 4.502 4.350 -0.001 0.000 0.269 211 T C 1.611 176.347 174.700 0.059 0.000 1.127 211 T CA 0.520 62.644 62.100 0.041 0.000 1.107 211 T CB -0.637 68.250 68.868 0.032 0.000 0.898 211 T HN 0.497 nan 8.240 nan 0.000 0.517 212 L N -0.356 120.920 121.223 0.088 0.000 2.640 212 L HA 0.398 4.738 4.340 -0.001 0.000 0.230 212 L C 2.098 179.069 176.870 0.169 0.000 1.123 212 L CA -0.090 54.844 54.840 0.158 0.000 0.900 212 L CB -0.213 41.973 42.059 0.212 0.000 1.146 212 L HN 0.218 nan 8.230 nan 0.000 0.484 213 L N 0.091 121.376 121.223 0.103 0.000 2.141 213 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 213 L C 2.502 179.415 176.870 0.072 0.000 1.094 213 L CA 1.312 56.209 54.840 0.096 0.000 0.763 213 L CB -0.215 41.892 42.059 0.080 0.000 0.908 213 L HN 0.354 nan 8.230 nan 0.000 0.437 214 E N 0.555 120.776 120.200 0.035 0.000 2.106 214 E HA -0.265 4.084 4.350 -0.001 0.000 0.192 214 E C 2.196 178.756 176.600 -0.065 0.000 0.984 214 E CA 1.125 57.523 56.400 -0.002 0.000 0.806 214 E CB 0.164 29.858 29.700 -0.011 0.000 0.750 214 E HN 0.270 nan 8.360 nan 0.000 0.458 215 K N -0.804 119.508 120.400 -0.146 0.000 2.228 215 K HA -0.081 4.239 4.320 -0.001 0.000 0.202 215 K C -0.093 176.149 176.600 -0.596 0.000 1.051 215 K CA 0.766 56.798 56.287 -0.426 0.000 0.960 215 K CB 0.249 32.382 32.500 -0.612 0.000 0.743 215 K HN 0.134 nan 8.250 nan 0.000 0.458 216 Y N 0.112 120.421 120.300 0.015 0.000 2.480 216 Y HA 0.256 4.806 4.550 -0.001 0.000 0.356 216 Y C -2.052 173.870 175.900 0.037 0.000 0.922 216 Y CA -2.192 55.917 58.100 0.016 0.000 1.146 216 Y CB 1.115 39.575 38.460 0.000 0.000 1.185 216 Y HN 0.098 nan 8.280 nan 0.000 0.624 217 P HA -0.159 nan 4.420 nan 0.000 0.220 217 P C 1.415 178.842 177.300 0.212 0.000 1.148 217 P CA 1.727 64.919 63.100 0.153 0.000 0.803 217 P CB 0.162 31.918 31.700 0.093 0.000 0.782 218 T N -4.311 110.336 114.554 0.155 0.000 3.129 218 T HA 0.189 4.539 4.350 -0.001 0.000 0.251 218 T C 1.519 176.315 174.700 0.161 0.000 1.117 218 T CA 0.381 62.551 62.100 0.116 0.000 1.034 218 T CB -0.193 68.701 68.868 0.044 0.000 0.968 218 T HN 0.143 nan 8.240 nan 0.000 0.526 219 K N -0.614 119.889 120.400 0.173 0.000 2.443 219 K HA 0.369 4.689 4.320 -0.001 0.000 0.200 219 K C -0.180 176.384 176.600 -0.059 0.000 1.278 219 K CA -0.376 55.949 56.287 0.064 0.000 0.925 219 K CB 0.378 32.890 32.500 0.020 0.000 1.225 219 K HN 0.184 nan 8.250 nan 0.000 0.514 220 L N 2.187 123.374 121.223 -0.061 0.000 2.292 220 L HA 0.320 4.660 4.340 -0.001 0.000 0.284 220 L C -1.015 175.609 176.870 -0.410 0.000 1.065 220 L CA -0.412 54.318 54.840 -0.185 0.000 0.806 220 L CB 1.511 43.540 42.059 -0.051 0.000 1.175 220 L HN -0.235 nan 8.230 nan 0.000 0.431 221 V N 5.634 125.249 119.914 -0.499 0.000 2.588 221 V HA 0.502 4.621 4.120 -0.001 0.000 0.304 221 V C -0.605 175.328 176.094 -0.268 0.000 1.042 221 V CA -0.772 61.174 62.300 -0.589 0.000 0.877 221 V CB 2.039 33.283 31.823 -0.965 0.000 0.996 221 V HN 0.472 nan 8.190 nan 0.000 0.425 222 V N 3.334 123.182 119.914 -0.110 0.000 2.357 222 V HA 0.442 4.562 4.120 -0.001 0.000 0.284 222 V C 0.312 176.432 176.094 0.044 0.000 1.018 222 V CA -0.194 62.098 62.300 -0.013 0.000 0.841 222 V CB 1.665 33.505 31.823 0.029 0.000 0.991 222 V HN 0.878 nan 8.190 nan 0.000 0.437 223 S N 6.162 121.877 115.700 0.024 0.000 2.508 223 S HA 0.726 5.195 4.470 -0.001 0.000 0.284 223 S C -0.339 174.204 174.600 -0.095 0.000 1.192 223 S CA -0.711 57.506 58.200 0.027 0.000 1.070 223 S CB 0.464 63.714 63.200 0.082 0.000 1.004 223 S HN 0.696 nan 8.310 nan 0.000 0.493 224 R N 1.485 121.800 120.500 -0.308 0.000 2.817 224 R HA 0.630 4.970 4.340 -0.001 0.000 0.268 224 R C -0.845 175.162 176.300 -0.488 0.000 1.027 224 R CA -0.774 55.035 56.100 -0.485 0.000 0.928 224 R CB 1.269 31.046 30.300 -0.872 0.000 1.228 224 R HN 0.650 nan 8.270 nan 0.000 0.469 225 T N -0.491 113.921 114.554 -0.236 0.000 2.868 225 T HA 0.415 4.765 4.350 -0.001 0.000 0.306 225 T C 0.170 174.968 174.700 0.164 0.000 1.224 225 T CA -0.536 61.549 62.100 -0.025 0.000 1.012 225 T CB 1.369 70.206 68.868 -0.051 0.000 1.221 225 T HN 0.495 nan 8.240 nan 0.000 0.499 226 M N 1.798 121.501 119.600 0.172 0.000 2.428 226 M HA 0.158 4.638 4.480 -0.001 0.000 0.239 226 M C 1.636 178.065 176.300 0.216 0.000 1.121 226 M CA 0.077 55.471 55.300 0.156 0.000 1.019 226 M CB 0.240 32.807 32.600 -0.055 0.000 1.485 226 M HN 0.455 nan 8.290 nan 0.000 0.484 227 S N 0.163 115.952 115.700 0.148 0.000 2.496 227 S HA 0.045 4.515 4.470 -0.001 0.000 0.224 227 S C 1.555 176.256 174.600 0.167 0.000 0.996 227 S CA 0.615 58.894 58.200 0.132 0.000 0.927 227 S CB 0.247 63.487 63.200 0.067 0.000 0.774 227 S HN 0.344 nan 8.310 nan 0.000 0.524 228 K N 1.569 122.080 120.400 0.185 0.000 3.956 228 K HA 0.475 4.795 4.320 -0.001 0.000 0.194 228 K C 2.196 178.997 176.600 0.334 0.000 1.153 228 K CA 0.648 57.112 56.287 0.295 0.000 1.676 228 K CB -1.315 31.354 32.500 0.282 0.000 2.322 228 K HN 0.106 nan 8.250 nan 0.000 0.493 229 A N 1.055 123.974 122.820 0.165 0.000 1.940 229 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 229 A C 1.943 179.521 177.584 -0.010 0.000 1.176 229 A CA 1.556 53.485 52.037 -0.180 0.000 0.631 229 A CB -0.764 17.738 19.000 -0.829 0.000 0.814 229 A HN 0.321 nan 8.150 nan 0.000 0.446 230 F N -0.236 119.702 119.950 -0.020 0.000 2.771 230 F HA 0.066 4.592 4.527 -0.000 0.000 0.299 230 F C 0.843 176.690 175.800 0.078 0.000 1.177 230 F CA 0.661 58.648 58.000 -0.022 0.000 1.450 230 F CB -0.556 38.403 39.000 -0.069 0.000 1.114 230 F HN 0.482 nan 8.300 nan 0.000 0.587 231 D N -1.685 118.916 120.400 0.335 0.000 2.800 231 D HA -0.306 4.334 4.640 -0.001 0.000 0.232 231 D C 0.004 176.540 176.300 0.393 0.000 1.137 231 D CA 0.581 54.766 54.000 0.309 0.000 0.718 231 D CB -1.681 39.281 40.800 0.271 0.000 1.084 231 D HN 0.225 nan 8.370 nan 0.000 0.432 232 F N -1.067 118.946 119.950 0.105 0.000 2.739 232 F HA 0.626 5.153 4.527 -0.001 0.000 0.366 232 F C 1.512 177.328 175.800 0.026 0.000 1.279 232 F CA 0.194 58.217 58.000 0.038 0.000 1.151 232 F CB -0.231 38.753 39.000 -0.028 0.000 1.132 232 F HN 0.082 nan 8.300 nan 0.000 0.511 233 A N 0.247 123.101 122.820 0.057 0.000 1.917 233 A HA -0.127 4.193 4.320 -0.001 0.000 0.219 233 A C 2.488 180.012 177.584 -0.099 0.000 1.182 233 A CA 2.163 54.205 52.037 0.008 0.000 0.633 233 A CB -1.234 17.788 19.000 0.037 0.000 0.819 233 A HN 0.517 nan 8.150 nan 0.000 0.448 234 G N -1.017 107.660 108.800 -0.204 0.000 2.470 234 G HA2 0.091 4.050 3.960 -0.001 0.000 0.220 234 G HA3 0.091 4.050 3.960 -0.001 0.000 0.220 234 G C 1.299 175.997 174.900 -0.337 0.000 1.121 234 G CA 1.091 46.045 45.100 -0.244 0.000 0.766 234 G HN 0.758 nan 8.290 nan 0.000 0.553 235 G N -0.091 108.375 108.800 -0.556 0.000 2.813 235 G HA2 0.077 4.037 3.960 -0.001 0.000 0.209 235 G HA3 0.077 4.037 3.960 -0.001 0.000 0.209 235 G C 0.765 175.598 174.900 -0.112 0.000 1.150 235 G CA -0.326 44.511 45.100 -0.439 0.000 0.785 235 G HN 0.243 nan 8.290 nan 0.000 0.535 236 R N -0.837 119.621 120.500 -0.069 0.000 3.022 236 R HA -0.137 4.203 4.340 -0.001 0.000 0.248 236 R C -0.797 175.520 176.300 0.027 0.000 0.874 236 R CA 0.304 56.402 56.100 -0.002 0.000 0.626 236 R CB -2.088 28.209 30.300 -0.005 0.000 1.255 236 R HN 0.308 nan 8.270 nan 0.000 0.496 237 L N 0.731 121.990 121.223 0.061 0.000 2.427 237 L HA 0.592 4.932 4.340 -0.001 0.000 0.264 237 L C 0.379 177.319 176.870 0.117 0.000 0.989 237 L CA 0.043 54.921 54.840 0.063 0.000 0.865 237 L CB 1.673 43.758 42.059 0.044 0.000 1.209 237 L HN 0.473 nan 8.230 nan 0.000 0.430 238 G N 3.615 112.489 108.800 0.124 0.000 2.489 238 G HA2 0.678 4.638 3.960 -0.001 0.000 0.327 238 G HA3 0.678 4.638 3.960 -0.001 0.000 0.327 238 G C -1.691 173.351 174.900 0.237 0.000 1.189 238 G CA -0.344 44.846 45.100 0.152 0.000 0.962 238 G HN 0.601 nan 8.290 nan 0.000 0.486 239 Y N -1.356 118.985 120.300 0.068 0.000 2.656 239 Y HA 0.752 5.302 4.550 -0.001 0.000 0.334 239 Y C -1.463 174.555 175.900 0.196 0.000 1.179 239 Y CA -2.512 55.617 58.100 0.047 0.000 1.050 239 Y CB 1.172 39.612 38.460 -0.033 0.000 1.308 239 Y HN 0.835 nan 8.280 nan 0.000 0.456 240 F N -0.205 119.911 119.950 0.276 0.000 2.603 240 F HA 0.923 5.449 4.527 -0.001 0.000 0.317 240 F C -1.996 173.949 175.800 0.242 0.000 1.066 240 F CA -1.948 56.146 58.000 0.157 0.000 0.941 240 F CB 1.571 40.639 39.000 0.115 0.000 1.291 240 F HN 0.398 nan 8.300 nan 0.000 0.472 241 V N 2.070 122.288 119.914 0.507 0.000 2.487 241 V HA 0.957 5.077 4.120 -0.001 0.000 0.298 241 V C -0.195 176.091 176.094 0.319 0.000 1.028 241 V CA -0.091 62.432 62.300 0.372 0.000 0.860 241 V CB 0.416 32.391 31.823 0.254 0.000 0.991 241 V HN 1.383 nan 8.190 nan 0.000 0.427 242 A N 3.628 126.643 122.820 0.324 0.000 2.536 242 A HA 0.572 4.891 4.320 -0.001 0.000 0.293 242 A C -0.700 177.046 177.584 0.271 0.000 1.119 242 A CA -0.726 51.425 52.037 0.190 0.000 0.654 242 A CB 1.077 20.064 19.000 -0.022 0.000 1.291 242 A HN 0.667 nan 8.150 nan 0.000 0.439 243 N N 0.155 119.039 118.700 0.308 0.000 2.454 243 N HA 0.095 4.835 4.740 -0.001 0.000 0.254 243 N C -1.700 174.004 175.510 0.322 0.000 1.228 243 N CA -0.801 52.422 53.050 0.289 0.000 0.900 243 N CB 1.061 39.714 38.487 0.277 0.000 1.089 243 N HN 0.151 nan 8.380 nan 0.000 0.449 244 P HA -0.137 nan 4.420 nan 0.000 0.218 244 P C 0.759 178.153 177.300 0.157 0.000 1.146 244 P CA 1.345 64.554 63.100 0.182 0.000 0.813 244 P CB 0.069 31.838 31.700 0.115 0.000 0.778 245 A N -1.553 121.331 122.820 0.106 0.000 1.978 245 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 245 A C 1.853 179.425 177.584 -0.020 0.000 1.170 245 A CA 1.465 53.498 52.037 -0.007 0.000 0.636 245 A CB -1.762 17.174 19.000 -0.107 0.000 0.810 245 A HN 0.128 nan 8.150 nan 0.000 0.448 246 F N -0.707 119.321 119.950 0.130 0.000 2.234 246 F HA -0.067 4.459 4.527 -0.000 0.000 0.299 246 F C 1.938 177.862 175.800 0.206 0.000 1.087 246 F CA 0.843 58.948 58.000 0.175 0.000 1.340 246 F CB -0.304 38.748 39.000 0.087 0.000 1.031 246 F HN 0.112 nan 8.300 nan 0.000 0.500 247 I N 0.187 120.960 120.570 0.338 0.000 2.226 247 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 247 I C 1.995 178.049 176.117 -0.104 0.000 1.100 247 I CA 1.377 62.717 61.300 0.067 0.000 1.374 247 I CB -0.834 37.231 38.000 0.109 0.000 1.057 247 I HN 0.007 nan 8.210 nan 0.000 0.413 248 D N 0.631 121.016 120.400 -0.024 0.000 2.123 248 D HA -0.185 4.455 4.640 -0.001 0.000 0.196 248 D C 2.297 178.529 176.300 -0.113 0.000 0.992 248 D CA 1.661 55.618 54.000 -0.072 0.000 0.833 248 D CB -0.344 40.428 40.800 -0.046 0.000 0.954 248 D HN 0.366 nan 8.370 nan 0.000 0.455 249 A N 0.746 123.519 122.820 -0.077 0.000 1.858 249 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 249 A C 2.474 179.957 177.584 -0.167 0.000 1.190 249 A CA 2.291 54.253 52.037 -0.126 0.000 0.617 249 A CB -0.888 18.095 19.000 -0.028 0.000 0.827 249 A HN 0.238 nan 8.150 nan 0.000 0.443 250 V N -3.071 116.747 119.914 -0.160 0.000 2.809 250 V HA -0.130 3.989 4.120 -0.001 0.000 0.256 250 V C 2.179 178.033 176.094 -0.399 0.000 1.080 250 V CA 1.889 64.025 62.300 -0.274 0.000 1.102 250 V CB -0.966 30.641 31.823 -0.360 0.000 0.705 250 V HN 0.477 nan 8.190 nan 0.000 0.475 251 M N -0.022 119.314 119.600 -0.440 0.000 2.374 251 M HA 0.042 4.522 4.480 -0.001 0.000 0.264 251 M C 1.921 178.122 176.300 -0.166 0.000 1.067 251 M CA 1.599 56.715 55.300 -0.308 0.000 1.103 251 M CB -0.322 32.134 32.600 -0.240 0.000 1.402 251 M HN 0.364 nan 8.290 nan 0.000 0.444 252 L N -0.717 120.410 121.223 -0.161 0.000 2.395 252 L HA -0.068 4.271 4.340 -0.001 0.000 0.218 252 L C 2.047 178.857 176.870 -0.100 0.000 1.130 252 L CA 0.427 55.194 54.840 -0.121 0.000 0.826 252 L CB -0.428 41.550 42.059 -0.134 0.000 0.941 252 L HN 0.290 nan 8.230 nan 0.000 0.451 253 V N -2.924 116.928 119.914 -0.103 0.000 3.572 253 V HA 0.164 4.283 4.120 -0.001 0.000 0.260 253 V C 1.052 177.127 176.094 -0.032 0.000 1.324 253 V CA -0.550 61.713 62.300 -0.062 0.000 1.068 253 V CB -0.231 31.556 31.823 -0.060 0.000 0.837 253 V HN 0.379 nan 8.190 nan 0.000 0.450 254 R N 1.757 122.228 120.500 -0.047 0.000 2.679 254 R HA 0.392 4.731 4.340 -0.001 0.000 0.268 254 R C -0.240 176.051 176.300 -0.015 0.000 1.044 254 R CA -0.233 55.842 56.100 -0.041 0.000 1.105 254 R CB -0.278 30.003 30.300 -0.032 0.000 0.989 254 R HN 0.413 nan 8.270 nan 0.000 0.447 255 L N 4.228 125.460 121.223 0.015 0.000 2.410 255 L HA 0.261 4.600 4.340 -0.001 0.000 0.273 255 L C -1.649 175.295 176.870 0.124 0.000 1.152 255 L CA -2.020 52.871 54.840 0.085 0.000 0.855 255 L CB 0.591 42.733 42.059 0.138 0.000 1.129 255 L HN 0.597 nan 8.230 nan 0.000 0.463 256 P HA -0.063 nan 4.420 nan 0.000 0.268 256 P C -0.787 176.619 177.300 0.178 0.000 1.204 256 P CA 0.157 63.255 63.100 -0.004 0.000 0.768 256 P CB 0.224 31.882 31.700 -0.069 0.000 0.842 257 Y N -0.259 120.162 120.300 0.203 0.000 3.929 257 Y HA -0.275 4.274 4.550 -0.001 0.000 0.225 257 Y C 2.004 178.012 175.900 0.180 0.000 1.200 257 Y CA 1.018 59.228 58.100 0.183 0.000 1.791 257 Y CB -3.159 35.428 38.460 0.211 0.000 1.561 257 Y HN 0.610 nan 8.280 nan 0.000 0.657 258 H N -1.170 118.001 119.070 0.168 0.000 2.456 258 H HA 0.031 4.586 4.556 -0.001 0.000 0.296 258 H C 0.651 176.029 175.328 0.084 0.000 1.079 258 H CA 1.097 57.222 56.048 0.128 0.000 1.322 258 H CB 0.174 30.008 29.762 0.120 0.000 1.388 258 H HN 0.355 nan 8.280 nan 0.000 0.538 259 L N 3.340 124.273 121.223 -0.483 0.000 2.265 259 L HA 0.210 4.549 4.340 -0.001 0.000 0.289 259 L C 0.241 177.031 176.870 -0.133 0.000 1.033 259 L CA -0.640 53.962 54.840 -0.397 0.000 0.814 259 L CB 1.324 43.013 42.059 -0.616 0.000 1.203 259 L HN 0.393 nan 8.230 nan 0.000 0.423 260 S N 2.998 118.655 115.700 -0.072 0.000 2.589 260 S HA 0.376 4.845 4.470 -0.001 0.000 0.265 260 S C 1.419 175.998 174.600 -0.034 0.000 1.342 260 S CA 0.022 58.206 58.200 -0.027 0.000 1.005 260 S CB 0.913 64.097 63.200 -0.026 0.000 0.909 260 S HN 0.748 nan 8.310 nan 0.000 0.555 261 A N 1.453 124.260 122.820 -0.020 0.000 1.908 261 A HA 0.009 4.329 4.320 -0.001 0.000 0.218 261 A C 2.208 179.778 177.584 -0.024 0.000 1.181 261 A CA 1.456 53.481 52.037 -0.020 0.000 0.627 261 A CB -1.065 17.923 19.000 -0.020 0.000 0.818 261 A HN 0.841 nan 8.150 nan 0.000 0.445 262 L N -0.651 120.558 121.223 -0.024 0.000 2.109 262 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 262 L C 2.846 179.711 176.870 -0.007 0.000 1.086 262 L CA 1.282 56.113 54.840 -0.014 0.000 0.760 262 L CB -0.445 41.605 42.059 -0.016 0.000 0.910 262 L HN 0.331 nan 8.230 nan 0.000 0.437 263 S N -0.404 115.283 115.700 -0.022 0.000 2.370 263 S HA -0.241 4.229 4.470 -0.001 0.000 0.226 263 S C 1.924 176.507 174.600 -0.029 0.000 1.033 263 S CA 1.353 59.542 58.200 -0.020 0.000 1.011 263 S CB -0.205 62.965 63.200 -0.050 0.000 0.852 263 S HN 0.465 nan 8.310 nan 0.000 0.457 264 Q N 0.692 120.456 119.800 -0.059 0.000 2.046 264 Q HA -0.006 4.333 4.340 -0.001 0.000 0.200 264 Q C 2.564 178.527 176.000 -0.062 0.000 0.975 264 Q CA 1.374 57.128 55.803 -0.081 0.000 0.836 264 Q CB -0.364 28.323 28.738 -0.086 0.000 0.896 264 Q HN 0.589 nan 8.270 nan 0.000 0.428 265 A N 1.190 123.988 122.820 -0.036 0.000 1.898 265 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 265 A C 2.303 179.876 177.584 -0.017 0.000 1.181 265 A CA 1.535 53.556 52.037 -0.027 0.000 0.620 265 A CB -0.731 18.261 19.000 -0.014 0.000 0.819 265 A HN 0.383 nan 8.150 nan 0.000 0.442 266 A N -0.110 122.726 122.820 0.028 0.000 1.898 266 A HA 0.195 4.514 4.320 -0.001 0.000 0.216 266 A C 2.497 180.077 177.584 -0.007 0.000 1.181 266 A CA 1.969 54.069 52.037 0.105 0.000 0.620 266 A CB -0.998 18.152 19.000 0.250 0.000 0.819 266 A HN 1.032 nan 8.150 nan 0.000 0.442 267 A N -0.068 122.737 122.820 -0.024 0.000 1.933 267 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 267 A C 2.103 179.501 177.584 -0.311 0.000 1.175 267 A CA 1.535 53.431 52.037 -0.235 0.000 0.628 267 A CB -0.614 18.288 19.000 -0.163 0.000 0.814 267 A HN 0.497 nan 8.150 nan 0.000 0.444 268 I N -0.567 119.889 120.570 -0.190 0.000 2.179 268 I HA -0.229 3.940 4.170 -0.001 0.000 0.242 268 I C 2.373 178.408 176.117 -0.137 0.000 1.088 268 I CA 1.170 62.375 61.300 -0.158 0.000 1.357 268 I CB -0.313 37.627 38.000 -0.100 0.000 1.051 268 I HN 0.163 nan 8.210 nan 0.000 0.409 269 V N 1.004 120.852 119.914 -0.110 0.000 2.255 269 V HA -0.341 3.778 4.120 -0.001 0.000 0.247 269 V C 2.733 178.789 176.094 -0.063 0.000 1.051 269 V CA 2.110 64.385 62.300 -0.041 0.000 1.018 269 V CB -1.110 30.695 31.823 -0.030 0.000 0.641 269 V HN 0.521 nan 8.190 nan 0.000 0.445 270 A N -0.350 122.269 122.820 -0.335 0.000 1.917 270 A HA -0.218 4.102 4.320 -0.001 0.000 0.219 270 A C 2.219 179.656 177.584 -0.243 0.000 1.182 270 A CA 2.084 53.835 52.037 -0.477 0.000 0.633 270 A CB -0.639 17.633 19.000 -1.214 0.000 0.819 270 A HN 0.515 nan 8.150 nan 0.000 0.448 271 L N -0.432 120.607 121.223 -0.308 0.000 2.131 271 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 271 L C 2.722 179.572 176.870 -0.033 0.000 1.092 271 L CA 1.738 56.464 54.840 -0.191 0.000 0.759 271 L CB -0.394 41.516 42.059 -0.247 0.000 0.903 271 L HN 0.610 nan 8.230 nan 0.000 0.435 272 R N -1.312 119.159 120.500 -0.049 0.000 2.276 272 R HA -0.092 4.248 4.340 -0.001 0.000 0.203 272 R C 0.814 176.978 176.300 -0.227 0.000 1.017 272 R CA 1.000 57.035 56.100 -0.109 0.000 1.010 272 R CB -0.399 29.818 30.300 -0.139 0.000 0.900 272 R HN 0.373 nan 8.270 nan 0.000 0.469 273 H N 0.313 119.367 119.070 -0.026 0.000 2.505 273 H HA 0.174 4.729 4.556 -0.001 0.000 0.286 273 H C 1.481 176.823 175.328 0.023 0.000 1.072 273 H CA 0.344 56.388 56.048 -0.007 0.000 1.141 273 H CB 0.999 30.748 29.762 -0.022 0.000 1.550 273 H HN 0.366 nan 8.280 nan 0.000 0.547 274 S N -0.060 115.719 115.700 0.132 0.000 2.368 274 S HA -0.222 4.247 4.470 -0.001 0.000 0.225 274 S C 2.442 177.030 174.600 -0.020 0.000 1.030 274 S CA 0.889 59.149 58.200 0.100 0.000 0.999 274 S CB -0.357 62.934 63.200 0.151 0.000 0.844 274 S HN 0.433 nan 8.310 nan 0.000 0.459 275 A N 2.134 124.959 122.820 0.008 0.000 1.883 275 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 275 A C 1.986 179.555 177.584 -0.024 0.000 1.186 275 A CA 1.989 54.017 52.037 -0.015 0.000 0.624 275 A CB -1.322 17.673 19.000 -0.009 0.000 0.822 275 A HN 0.631 nan 8.150 nan 0.000 0.444 276 D N -1.299 119.103 120.400 0.003 0.000 2.097 276 D HA -0.112 4.527 4.640 -0.001 0.000 0.195 276 D C 1.971 178.262 176.300 -0.015 0.000 0.989 276 D CA 2.037 56.039 54.000 0.005 0.000 0.827 276 D CB -0.163 40.667 40.800 0.049 0.000 0.966 276 D HN 0.346 nan 8.370 nan 0.000 0.456 277 T N 0.073 114.630 114.554 0.004 0.000 2.708 277 T HA -0.091 4.259 4.350 -0.001 0.000 0.266 277 T C 1.900 176.558 174.700 -0.070 0.000 1.037 277 T CA 0.911 63.008 62.100 -0.004 0.000 1.146 277 T CB -0.345 68.555 68.868 0.053 0.000 0.865 277 T HN 0.160 nan 8.240 nan 0.000 0.435 278 L N 1.006 122.141 121.223 -0.146 0.000 2.551 278 L HA 0.091 4.430 4.340 -0.001 0.000 0.228 278 L C 2.769 179.567 176.870 -0.120 0.000 1.153 278 L CA 0.342 55.065 54.840 -0.194 0.000 0.851 278 L CB -0.748 41.139 42.059 -0.286 0.000 0.959 278 L HN 0.338 nan 8.230 nan 0.000 0.451 279 G N 0.341 109.087 108.800 -0.091 0.000 2.450 279 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.220 279 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.220 279 G C 1.676 176.522 174.900 -0.090 0.000 1.130 279 G CA 1.361 46.413 45.100 -0.079 0.000 0.760 279 G HN 0.475 nan 8.290 nan 0.000 0.557 280 T N -0.992 113.496 114.554 -0.110 0.000 2.962 280 T HA -0.045 4.304 4.350 -0.001 0.000 0.270 280 T C 2.202 176.932 174.700 0.049 0.000 1.088 280 T CA 1.031 63.057 62.100 -0.123 0.000 1.127 280 T CB -0.225 68.575 68.868 -0.114 0.000 0.883 280 T HN 0.031 nan 8.240 nan 0.000 0.493 281 V N 1.884 121.822 119.914 0.039 0.000 2.392 281 V HA -0.199 3.921 4.120 -0.001 0.000 0.249 281 V C 2.720 178.892 176.094 0.129 0.000 1.059 281 V CA 2.025 64.392 62.300 0.112 0.000 1.051 281 V CB -0.673 31.113 31.823 -0.063 0.000 0.658 281 V HN 0.609 nan 8.190 nan 0.000 0.455 282 E N -0.116 120.115 120.200 0.052 0.000 2.051 282 E HA -0.271 4.079 4.350 -0.001 0.000 0.192 282 E C 2.250 178.887 176.600 0.063 0.000 0.991 282 E CA 1.386 57.813 56.400 0.045 0.000 0.799 282 E CB -0.169 29.537 29.700 0.010 0.000 0.748 282 E HN 0.353 nan 8.360 nan 0.000 0.449 283 K N 1.352 121.789 120.400 0.062 0.000 2.057 283 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 283 K C 1.942 178.620 176.600 0.131 0.000 1.050 283 K CA 1.018 57.357 56.287 0.087 0.000 0.935 283 K CB -0.364 32.187 32.500 0.084 0.000 0.715 283 K HN 0.054 nan 8.250 nan 0.000 0.439 284 L N 0.208 121.543 121.223 0.188 0.000 2.042 284 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 284 L C 2.255 179.174 176.870 0.082 0.000 1.076 284 L CA 1.543 56.485 54.840 0.170 0.000 0.749 284 L CB -0.470 41.753 42.059 0.273 0.000 0.893 284 L HN 0.134 nan 8.230 nan 0.000 0.432 285 S N -0.731 115.036 115.700 0.113 0.000 2.383 285 S HA -0.120 4.350 4.470 -0.001 0.000 0.227 285 S C 1.990 176.606 174.600 0.027 0.000 1.026 285 S CA 1.093 59.332 58.200 0.065 0.000 0.981 285 S CB -0.128 63.132 63.200 0.100 0.000 0.818 285 S HN 0.168 nan 8.310 nan 0.000 0.472 286 V N 1.939 121.877 119.914 0.039 0.000 2.453 286 V HA -0.061 4.058 4.120 -0.001 0.000 0.247 286 V C 2.474 178.580 176.094 0.021 0.000 1.048 286 V CA 1.249 63.565 62.300 0.027 0.000 1.049 286 V CB -0.482 31.360 31.823 0.032 0.000 0.672 286 V HN 0.360 nan 8.190 nan 0.000 0.457 287 E N 0.154 120.371 120.200 0.029 0.000 2.110 287 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 287 E C 2.363 178.956 176.600 -0.011 0.000 0.988 287 E CA 0.774 57.186 56.400 0.019 0.000 0.804 287 E CB -0.316 29.403 29.700 0.032 0.000 0.745 287 E HN 0.389 nan 8.360 nan 0.000 0.458 288 R N 1.062 121.542 120.500 -0.034 0.000 2.081 288 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 288 R C 2.239 178.512 176.300 -0.046 0.000 1.131 288 R CA 1.080 57.136 56.100 -0.073 0.000 0.960 288 R CB -0.393 29.832 30.300 -0.125 0.000 0.856 288 R HN 0.045 nan 8.270 nan 0.000 0.436 289 V N 1.122 121.021 119.914 -0.025 0.000 2.343 289 V HA -0.231 3.889 4.120 -0.001 0.000 0.247 289 V C 2.711 178.804 176.094 -0.002 0.000 1.051 289 V CA 2.119 64.412 62.300 -0.012 0.000 1.036 289 V CB -0.646 31.176 31.823 -0.002 0.000 0.654 289 V HN 0.393 nan 8.190 nan 0.000 0.451 290 R N -0.240 120.263 120.500 0.004 0.000 2.073 290 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 290 R C 2.237 178.546 176.300 0.014 0.000 1.134 290 R CA 1.749 57.856 56.100 0.012 0.000 0.952 290 R CB -0.330 29.981 30.300 0.018 0.000 0.850 290 R HN 0.383 nan 8.270 nan 0.000 0.433 291 V N 0.930 120.851 119.914 0.010 0.000 2.295 291 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 291 V C 2.464 178.563 176.094 0.008 0.000 1.049 291 V CA 1.982 64.297 62.300 0.025 0.000 1.024 291 V CB -0.716 31.113 31.823 0.010 0.000 0.648 291 V HN 0.563 nan 8.190 nan 0.000 0.447 292 A N -0.130 122.684 122.820 -0.010 0.000 1.902 292 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 292 A C 2.414 180.009 177.584 0.017 0.000 1.181 292 A CA 2.092 54.127 52.037 -0.004 0.000 0.623 292 A CB -0.779 18.219 19.000 -0.002 0.000 0.818 292 A HN 0.576 nan 8.150 nan 0.000 0.443 293 A N -0.275 122.555 122.820 0.017 0.000 1.902 293 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 293 A C 2.191 179.792 177.584 0.028 0.000 1.181 293 A CA 2.139 54.190 52.037 0.024 0.000 0.623 293 A CB -0.424 18.588 19.000 0.019 0.000 0.818 293 A HN 0.449 nan 8.150 nan 0.000 0.443 294 R N 0.099 120.613 120.500 0.024 0.000 2.075 294 R HA 0.032 4.372 4.340 -0.001 0.000 0.232 294 R C 1.888 178.215 176.300 0.045 0.000 1.126 294 R CA 1.494 57.609 56.100 0.025 0.000 0.963 294 R CB -0.933 29.376 30.300 0.015 0.000 0.858 294 R HN 0.516 nan 8.270 nan 0.000 0.435 295 L N 0.305 121.548 121.223 0.034 0.000 2.012 295 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 295 L C 2.353 179.338 176.870 0.192 0.000 1.073 295 L CA 1.907 56.798 54.840 0.085 0.000 0.748 295 L CB -0.508 41.493 42.059 -0.097 0.000 0.891 295 L HN 0.351 nan 8.230 nan 0.000 0.431 296 E N -0.255 120.012 120.200 0.112 0.000 2.051 296 E HA -0.286 4.063 4.350 -0.001 0.000 0.192 296 E C 2.073 178.712 176.600 0.066 0.000 0.991 296 E CA 1.316 57.774 56.400 0.097 0.000 0.799 296 E CB -0.078 29.663 29.700 0.069 0.000 0.748 296 E HN 0.470 nan 8.360 nan 0.000 0.449 297 E N 0.556 120.786 120.200 0.051 0.000 2.085 297 E HA -0.218 4.132 4.350 -0.001 0.000 0.194 297 E C 1.981 178.593 176.600 0.019 0.000 0.994 297 E CA 0.702 57.119 56.400 0.028 0.000 0.801 297 E CB 0.110 29.823 29.700 0.023 0.000 0.743 297 E HN 0.066 nan 8.360 nan 0.000 0.453 298 L N -0.502 120.747 121.223 0.043 0.000 2.191 298 L HA -0.032 4.308 4.340 -0.001 0.000 0.212 298 L C 1.919 178.742 176.870 -0.078 0.000 1.103 298 L CA 2.100 56.947 54.840 0.013 0.000 0.769 298 L CB -0.425 41.699 42.059 0.108 0.000 0.908 298 L HN 0.494 nan 8.230 nan 0.000 0.438 299 G N -4.017 104.750 108.800 -0.055 0.000 2.227 299 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.168 299 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.168 299 G C 0.042 174.853 174.900 -0.148 0.000 1.006 299 G CA -0.406 44.622 45.100 -0.120 0.000 0.684 299 G HN 0.184 nan 8.290 nan 0.000 0.489 300 Y N 1.186 121.482 120.300 -0.007 0.000 2.326 300 Y HA 0.543 5.092 4.550 -0.001 0.000 0.333 300 Y C 1.042 176.948 175.900 0.010 0.000 1.240 300 Y CA 0.365 58.463 58.100 -0.003 0.000 1.365 300 Y CB 1.008 39.519 38.460 0.085 0.000 1.289 300 Y HN 0.378 nan 8.280 nan 0.000 0.548 301 A N 2.496 125.419 122.820 0.171 0.000 2.354 301 A HA 0.570 4.889 4.320 -0.001 0.000 0.281 301 A C -0.976 176.725 177.584 0.195 0.000 1.174 301 A CA -0.456 51.664 52.037 0.140 0.000 0.828 301 A CB -0.299 18.754 19.000 0.088 0.000 1.099 301 A HN 0.501 nan 8.150 nan 0.000 0.516 302 V N 4.081 124.107 119.914 0.187 0.000 2.487 302 V HA 0.270 4.390 4.120 -0.001 0.000 0.298 302 V C 0.014 176.221 176.094 0.188 0.000 1.028 302 V CA -0.679 61.738 62.300 0.194 0.000 0.860 302 V CB 1.696 33.605 31.823 0.144 0.000 0.991 302 V HN 0.623 nan 8.190 nan 0.000 0.427 303 V N 7.007 127.054 119.914 0.222 0.000 2.488 303 V HA 0.223 4.343 4.120 -0.001 0.000 0.277 303 V C -2.050 174.128 176.094 0.140 0.000 1.046 303 V CA -1.464 60.964 62.300 0.214 0.000 0.986 303 V CB 1.106 33.085 31.823 0.260 0.000 0.989 303 V HN 0.774 nan 8.190 nan 0.000 0.475 304 P HA 0.113 nan 4.420 nan 0.000 0.263 304 P C -0.409 176.901 177.300 0.018 0.000 1.195 304 P CA 0.498 63.631 63.100 0.055 0.000 0.762 304 P CB 0.563 32.294 31.700 0.052 0.000 0.799 305 S N 2.144 117.825 115.700 -0.031 0.000 2.532 305 S HA 0.313 4.782 4.470 -0.001 0.000 0.301 305 S C 0.112 174.631 174.600 -0.135 0.000 1.083 305 S CA -0.594 57.534 58.200 -0.120 0.000 1.025 305 S CB 0.847 63.924 63.200 -0.204 0.000 1.056 305 S HN 0.365 nan 8.310 nan 0.000 0.494 306 E N 1.735 121.834 120.200 -0.168 0.000 2.789 306 E HA 0.202 4.552 4.350 -0.001 0.000 0.208 306 E C -0.176 176.327 176.600 -0.161 0.000 0.988 306 E CA -0.207 56.125 56.400 -0.113 0.000 1.092 306 E CB 0.787 30.464 29.700 -0.037 0.000 1.066 306 E HN 0.649 nan 8.360 nan 0.000 0.465 307 S N 0.369 115.817 115.700 -0.419 0.000 2.921 307 S HA 0.238 4.708 4.470 -0.001 0.000 0.315 307 S C 0.421 174.521 174.600 -0.834 0.000 1.087 307 S CA -0.797 57.032 58.200 -0.618 0.000 0.877 307 S CB 0.572 63.026 63.200 -1.245 0.000 1.340 307 S HN 0.141 nan 8.310 nan 0.000 0.622 308 N N 0.536 118.556 118.700 -1.133 0.000 2.376 308 N HA 0.263 5.003 4.740 -0.001 0.000 0.249 308 N C -0.607 174.649 175.510 -0.423 0.000 1.140 308 N CA -0.460 52.038 53.050 -0.919 0.000 0.870 308 N CB -0.784 36.896 38.487 -1.345 0.000 1.124 308 N HN 0.664 nan 8.380 nan 0.000 0.505 309 F N -2.931 116.804 119.950 -0.358 0.000 2.686 309 F HA 0.750 5.277 4.527 -0.001 0.000 0.311 309 F C -1.368 174.330 175.800 -0.170 0.000 1.128 309 F CA -1.434 56.410 58.000 -0.261 0.000 0.946 309 F CB 0.946 39.790 39.000 -0.259 0.000 1.336 309 F HN -0.248 nan 8.300 nan 0.000 0.457 310 V N 1.740 121.744 119.914 0.150 0.000 2.709 310 V HA 0.469 4.589 4.120 -0.001 0.000 0.308 310 V C -1.543 174.778 176.094 0.378 0.000 1.062 310 V CA -0.641 61.752 62.300 0.155 0.000 0.901 310 V CB 2.006 33.838 31.823 0.014 0.000 1.003 310 V HN 0.748 nan 8.190 nan 0.000 0.425 311 F N 7.234 127.308 119.950 0.206 0.000 2.411 311 F HA 0.848 5.375 4.527 -0.001 0.000 0.352 311 F C -0.753 175.217 175.800 0.283 0.000 1.123 311 F CA -1.208 56.899 58.000 0.178 0.000 1.044 311 F CB 1.067 40.065 39.000 -0.003 0.000 1.135 311 F HN 0.471 nan 8.300 nan 0.000 0.461 312 F N 3.175 122.955 119.950 -0.284 0.000 2.662 312 F HA 0.995 5.521 4.527 -0.001 0.000 0.312 312 F C -0.549 175.068 175.800 -0.305 0.000 1.113 312 F CA -1.057 56.831 58.000 -0.186 0.000 0.951 312 F CB 1.295 40.226 39.000 -0.115 0.000 1.344 312 F HN 0.697 nan 8.300 nan 0.000 0.462 313 G N -0.082 108.517 108.800 -0.336 0.000 2.706 313 G HA2 0.474 4.434 3.960 -0.001 0.000 0.307 313 G HA3 0.474 4.434 3.960 -0.001 0.000 0.307 313 G C -2.369 172.255 174.900 -0.460 0.000 1.307 313 G CA -0.902 43.737 45.100 -0.769 0.000 0.790 313 G HN 0.624 nan 8.290 nan 0.000 0.503 314 D N 0.532 120.612 120.400 -0.533 0.000 2.462 314 D HA 0.472 5.112 4.640 -0.001 0.000 0.245 314 D C -0.919 175.114 176.300 -0.444 0.000 1.122 314 D CA -0.033 53.636 54.000 -0.552 0.000 0.864 314 D CB 1.430 42.065 40.800 -0.275 0.000 1.098 314 D HN 0.059 nan 8.370 nan 0.000 0.541 315 F N 0.571 120.452 119.950 -0.114 0.000 2.375 315 F HA 0.141 4.667 4.527 -0.001 0.000 0.333 315 F C 2.088 177.880 175.800 -0.014 0.000 1.104 315 F CA -0.548 57.435 58.000 -0.028 0.000 1.149 315 F CB 1.111 40.109 39.000 -0.004 0.000 1.190 315 F HN 0.148 nan 8.300 nan 0.000 0.533 316 S N -0.248 115.570 115.700 0.197 0.000 2.368 316 S HA -0.159 4.311 4.470 -0.001 0.000 0.225 316 S C 0.288 174.966 174.600 0.130 0.000 1.030 316 S CA 1.439 59.713 58.200 0.124 0.000 0.999 316 S CB -0.201 63.055 63.200 0.093 0.000 0.844 316 S HN 0.651 nan 8.310 nan 0.000 0.459 317 D N 0.213 120.704 120.400 0.152 0.000 2.402 317 D HA 0.135 4.774 4.640 -0.001 0.000 0.252 317 D C 0.847 177.204 176.300 0.095 0.000 1.294 317 D CA -0.441 53.630 54.000 0.118 0.000 0.948 317 D CB 0.842 41.698 40.800 0.094 0.000 1.202 317 D HN 0.059 nan 8.370 nan 0.000 0.561 318 Q N 3.548 123.414 119.800 0.110 0.000 2.224 318 Q HA -0.221 4.119 4.340 -0.001 0.000 0.203 318 Q C 1.062 177.061 176.000 -0.001 0.000 0.970 318 Q CA 1.182 56.994 55.803 0.016 0.000 0.865 318 Q CB -0.512 28.289 28.738 0.105 0.000 0.922 318 Q HN 0.730 nan 8.270 nan 0.000 0.445 319 H N 0.508 119.572 119.070 -0.011 0.000 2.389 319 H HA 0.034 4.590 4.556 -0.001 0.000 0.299 319 H C 1.778 177.182 175.328 0.126 0.000 1.081 319 H CA 1.545 57.610 56.048 0.028 0.000 1.345 319 H CB 0.213 29.954 29.762 -0.035 0.000 1.393 319 H HN 0.397 nan 8.280 nan 0.000 0.520 320 A N 1.152 123.979 122.820 0.012 0.000 1.898 320 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 320 A C 2.704 180.219 177.584 -0.117 0.000 1.181 320 A CA 1.554 53.565 52.037 -0.044 0.000 0.620 320 A CB -0.995 18.011 19.000 0.009 0.000 0.819 320 A HN 0.548 nan 8.150 nan 0.000 0.442 321 A N -1.431 121.259 122.820 -0.216 0.000 1.902 321 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 321 A C 2.000 179.541 177.584 -0.071 0.000 1.181 321 A CA 1.582 53.389 52.037 -0.383 0.000 0.623 321 A CB -0.958 17.256 19.000 -1.310 0.000 0.818 321 A HN 0.881 nan 8.150 nan 0.000 0.443 322 W N 0.590 121.766 121.300 -0.207 0.000 2.335 322 W HA -0.253 4.406 4.660 -0.001 0.000 0.311 322 W C 2.230 178.703 176.519 -0.077 0.000 1.213 322 W CA 2.234 59.533 57.345 -0.077 0.000 1.274 322 W CB -0.222 29.145 29.460 -0.155 0.000 1.148 322 W HN 0.403 nan 8.180 nan 0.000 0.498 323 Q N 0.807 120.552 119.800 -0.093 0.000 2.170 323 Q HA -0.116 4.224 4.340 -0.001 0.000 0.203 323 Q C 2.180 178.025 176.000 -0.258 0.000 0.976 323 Q CA 2.452 58.085 55.803 -0.285 0.000 0.858 323 Q CB -0.804 27.851 28.738 -0.139 0.000 0.907 323 Q HN 0.303 nan 8.270 nan 0.000 0.433 324 A N -0.750 121.949 122.820 -0.201 0.000 1.933 324 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 324 A C 1.807 179.221 177.584 -0.283 0.000 1.175 324 A CA 1.264 53.159 52.037 -0.237 0.000 0.628 324 A CB -0.821 18.018 19.000 -0.270 0.000 0.814 324 A HN 0.459 nan 8.150 nan 0.000 0.444 325 F N -0.787 119.028 119.950 -0.224 0.000 2.113 325 F HA -0.111 4.415 4.527 -0.001 0.000 0.297 325 F C 2.066 177.702 175.800 -0.272 0.000 1.103 325 F CA 1.414 59.297 58.000 -0.194 0.000 1.248 325 F CB -0.522 38.398 39.000 -0.133 0.000 0.999 325 F HN 0.246 nan 8.300 nan 0.000 0.475 326 L N 0.449 121.499 121.223 -0.288 0.000 2.012 326 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 326 L C 1.839 178.580 176.870 -0.215 0.000 1.073 326 L CA 1.943 56.559 54.840 -0.372 0.000 0.748 326 L CB -1.024 40.626 42.059 -0.681 0.000 0.891 326 L HN -0.000 nan 8.230 nan 0.000 0.431 327 D N -0.411 119.870 120.400 -0.198 0.000 2.221 327 D HA -0.165 4.475 4.640 -0.001 0.000 0.204 327 D C 1.936 178.172 176.300 -0.106 0.000 0.982 327 D CA 1.108 55.026 54.000 -0.137 0.000 0.857 327 D CB -0.076 40.645 40.800 -0.132 0.000 0.934 327 D HN 0.398 nan 8.370 nan 0.000 0.475 328 R N -0.823 119.614 120.500 -0.105 0.000 2.388 328 R HA 0.279 4.618 4.340 -0.001 0.000 0.247 328 R C 1.025 177.302 176.300 -0.038 0.000 0.931 328 R CA 0.416 56.472 56.100 -0.074 0.000 1.082 328 R CB 0.563 30.807 30.300 -0.093 0.000 1.135 328 R HN 0.095 nan 8.270 nan 0.000 0.525 329 G N 0.414 109.185 108.800 -0.048 0.000 2.132 329 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.234 329 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.234 329 G C -0.157 174.736 174.900 -0.011 0.000 0.989 329 G CA -0.095 44.985 45.100 -0.033 0.000 0.676 329 G HN 0.150 nan 8.290 nan 0.000 0.522 330 V N 0.754 120.671 119.914 0.006 0.000 2.409 330 V HA 0.625 4.745 4.120 -0.001 0.000 0.290 330 V C -0.083 175.994 176.094 -0.029 0.000 1.017 330 V CA -0.871 61.461 62.300 0.053 0.000 0.841 330 V CB 1.661 33.617 31.823 0.222 0.000 1.003 330 V HN 0.401 nan 8.190 nan 0.000 0.426 331 L N 7.880 129.066 121.223 -0.061 0.000 2.255 331 L HA 0.658 4.997 4.340 -0.001 0.000 0.289 331 L C -0.095 176.750 176.870 -0.043 0.000 1.046 331 L CA 0.358 55.141 54.840 -0.095 0.000 0.816 331 L CB 0.496 42.531 42.059 -0.040 0.000 1.197 331 L HN 0.689 nan 8.230 nan 0.000 0.427 332 I N 1.306 121.855 120.570 -0.036 0.000 3.709 332 I HA 0.706 4.875 4.170 -0.001 0.000 0.274 332 I C -0.547 175.712 176.117 0.237 0.000 1.240 332 I CA -1.378 59.928 61.300 0.010 0.000 1.076 332 I CB 1.426 39.345 38.000 -0.135 0.000 1.389 332 I HN 0.493 nan 8.210 nan 0.000 0.529 333 R N 1.480 122.067 120.500 0.145 0.000 2.387 333 R HA 0.301 4.640 4.340 -0.001 0.000 0.314 333 R C -1.320 175.004 176.300 0.040 0.000 0.958 333 R CA -0.385 55.772 56.100 0.095 0.000 0.846 333 R CB 0.752 31.049 30.300 -0.005 0.000 1.147 333 R HN 0.663 nan 8.270 nan 0.000 0.447 334 D N 4.164 124.480 120.400 -0.141 0.000 2.411 334 D HA 0.045 4.684 4.640 -0.001 0.000 0.225 334 D C 0.559 176.774 176.300 -0.142 0.000 1.156 334 D CA -0.305 53.573 54.000 -0.204 0.000 0.874 334 D CB 1.161 41.674 40.800 -0.479 0.000 1.034 334 D HN 0.392 nan 8.370 nan 0.000 0.502 335 V N 1.767 121.659 119.914 -0.036 0.000 3.563 335 V HA 0.352 4.472 4.120 -0.001 0.000 0.299 335 V C 1.357 177.453 176.094 0.003 0.000 1.290 335 V CA 0.175 62.468 62.300 -0.013 0.000 1.201 335 V CB -0.556 31.285 31.823 0.031 0.000 1.045 335 V HN 0.686 nan 8.190 nan 0.000 0.425 336 G N 0.955 109.746 108.800 -0.016 0.000 2.176 336 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.252 336 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.252 336 G C -0.201 174.735 174.900 0.060 0.000 1.024 336 G CA 0.370 45.467 45.100 -0.004 0.000 0.755 336 G HN 0.504 nan 8.290 nan 0.000 0.507 337 I N 0.921 121.561 120.570 0.117 0.000 2.362 337 I HA 0.605 4.774 4.170 -0.001 0.000 0.289 337 I C 1.016 177.264 176.117 0.218 0.000 0.994 337 I CA -1.149 60.267 61.300 0.192 0.000 1.158 337 I CB 0.888 39.066 38.000 0.296 0.000 1.315 337 I HN 0.386 nan 8.210 nan 0.000 0.451 338 A N 4.461 127.406 122.820 0.207 0.000 2.567 338 A HA 0.389 4.709 4.320 -0.001 0.000 0.240 338 A C 1.413 179.166 177.584 0.282 0.000 1.053 338 A CA 0.954 53.111 52.037 0.199 0.000 0.755 338 A CB -0.397 18.703 19.000 0.165 0.000 0.978 338 A HN 1.460 nan 8.150 nan 0.000 0.507 339 G N 1.716 110.627 108.800 0.185 0.000 2.212 339 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.266 339 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.266 339 G C 0.129 174.924 174.900 -0.174 0.000 0.978 339 G CA 1.105 46.241 45.100 0.061 0.000 0.632 339 G HN 1.276 nan 8.290 nan 0.000 0.537 340 H N -0.992 118.053 119.070 -0.042 0.000 2.747 340 H HA 0.835 5.390 4.556 -0.001 0.000 0.371 340 H C 0.161 175.301 175.328 -0.314 0.000 1.161 340 H CA -0.637 55.187 56.048 -0.374 0.000 1.167 340 H CB 1.711 30.960 29.762 -0.854 0.000 1.732 340 H HN 0.241 nan 8.280 nan 0.000 0.544 341 L N 0.801 121.742 121.223 -0.470 0.000 2.327 341 L HA 0.605 4.945 4.340 -0.001 0.000 0.258 341 L C -0.512 176.224 176.870 -0.224 0.000 1.024 341 L CA -0.980 53.674 54.840 -0.310 0.000 0.825 341 L CB 2.509 44.374 42.059 -0.325 0.000 1.386 341 L HN 0.381 nan 8.230 nan 0.000 0.417 342 R N 0.325 120.846 120.500 0.035 0.000 2.439 342 R HA 0.483 4.822 4.340 -0.001 0.000 0.310 342 R C -1.265 175.072 176.300 0.061 0.000 0.955 342 R CA -0.242 55.947 56.100 0.149 0.000 0.853 342 R CB 1.992 32.341 30.300 0.082 0.000 1.171 342 R HN 0.644 nan 8.270 nan 0.000 0.449 343 T N 2.434 117.011 114.554 0.038 0.000 2.779 343 T HA 0.305 4.655 4.350 -0.001 0.000 0.280 343 T C -0.387 174.197 174.700 -0.192 0.000 0.987 343 T CA -0.220 61.722 62.100 -0.263 0.000 0.966 343 T CB 1.090 69.419 68.868 -0.898 0.000 0.933 343 T HN 0.557 nan 8.240 nan 0.000 0.442 344 T N 5.982 120.430 114.554 -0.177 0.000 2.907 344 T HA 0.351 4.701 4.350 -0.001 0.000 0.298 344 T C 0.400 174.989 174.700 -0.185 0.000 1.017 344 T CA -0.620 61.417 62.100 -0.105 0.000 1.118 344 T CB 0.213 69.044 68.868 -0.062 0.000 0.948 344 T HN 0.434 nan 8.240 nan 0.000 0.531 345 I N 3.170 123.648 120.570 -0.152 0.000 2.416 345 I HA 0.327 4.497 4.170 -0.001 0.000 0.288 345 I C 1.111 177.162 176.117 -0.111 0.000 1.051 345 I CA 0.005 61.215 61.300 -0.150 0.000 1.375 345 I CB 0.234 38.148 38.000 -0.143 0.000 1.407 345 I HN 0.756 nan 8.210 nan 0.000 0.516 346 G N 5.727 114.461 108.800 -0.111 0.000 2.857 346 G HA2 0.599 4.558 3.960 -0.001 0.000 0.217 346 G HA3 0.599 4.558 3.960 -0.001 0.000 0.217 346 G C -0.083 174.728 174.900 -0.147 0.000 1.357 346 G CA -0.425 44.600 45.100 -0.126 0.000 1.033 346 G HN 0.514 nan 8.290 nan 0.000 0.571 347 V N -1.645 118.140 119.914 -0.215 0.000 3.051 347 V HA 0.302 4.422 4.120 -0.001 0.000 0.306 347 V C -1.461 174.607 176.094 -0.043 0.000 1.083 347 V CA -0.961 61.232 62.300 -0.178 0.000 1.104 347 V CB 1.201 32.891 31.823 -0.222 0.000 1.027 347 V HN 0.437 nan 8.190 nan 0.000 0.483 348 P HA -0.171 nan 4.420 nan 0.000 0.216 348 P C 1.619 178.933 177.300 0.023 0.000 1.150 348 P CA 1.949 65.067 63.100 0.031 0.000 0.843 348 P CB 0.166 31.896 31.700 0.051 0.000 0.787 349 E N 0.025 120.235 120.200 0.016 0.000 2.110 349 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 349 E C 1.758 178.368 176.600 0.016 0.000 0.988 349 E CA 1.136 57.545 56.400 0.015 0.000 0.804 349 E CB -0.222 29.485 29.700 0.010 0.000 0.745 349 E HN 0.289 nan 8.360 nan 0.000 0.458 350 E N 0.050 120.251 120.200 0.002 0.000 2.072 350 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 350 E C 2.007 178.638 176.600 0.053 0.000 0.985 350 E CA 0.956 57.362 56.400 0.010 0.000 0.801 350 E CB -0.019 29.663 29.700 -0.031 0.000 0.750 350 E HN 0.276 nan 8.360 nan 0.000 0.452 351 N N 1.299 120.024 118.700 0.042 0.000 2.166 351 N HA -0.147 4.593 4.740 -0.001 0.000 0.186 351 N C 1.303 176.892 175.510 0.130 0.000 1.019 351 N CA 1.101 54.207 53.050 0.092 0.000 0.856 351 N CB -0.290 38.225 38.487 0.048 0.000 0.993 351 N HN 0.156 nan 8.380 nan 0.000 0.426 352 D N 0.986 121.430 120.400 0.073 0.000 2.117 352 D HA -0.053 4.587 4.640 -0.001 0.000 0.197 352 D C 1.856 178.187 176.300 0.051 0.000 0.987 352 D CA 1.076 55.107 54.000 0.052 0.000 0.829 352 D CB -0.297 40.522 40.800 0.031 0.000 0.961 352 D HN 0.227 nan 8.370 nan 0.000 0.460 353 A N 0.550 123.409 122.820 0.066 0.000 1.902 353 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 353 A C 2.112 179.761 177.584 0.108 0.000 1.181 353 A CA 1.117 53.193 52.037 0.065 0.000 0.623 353 A CB -1.027 18.010 19.000 0.061 0.000 0.818 353 A HN 0.263 nan 8.150 nan 0.000 0.443 354 F N 0.758 120.722 119.950 0.024 0.000 2.095 354 F HA -0.179 4.348 4.527 -0.001 0.000 0.298 354 F C 1.840 177.694 175.800 0.091 0.000 1.104 354 F CA 1.918 59.951 58.000 0.055 0.000 1.232 354 F CB -0.410 38.565 39.000 -0.043 0.000 0.987 354 F HN 0.141 nan 8.300 nan 0.000 0.475 355 L N -0.112 121.002 121.223 -0.181 0.000 2.093 355 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 355 L C 2.197 178.964 176.870 -0.173 0.000 1.085 355 L CA 1.197 55.874 54.840 -0.271 0.000 0.755 355 L CB -0.871 41.147 42.059 -0.068 0.000 0.904 355 L HN 0.082 nan 8.230 nan 0.000 0.435 356 D N 0.460 120.806 120.400 -0.090 0.000 2.104 356 D HA -0.182 4.458 4.640 -0.001 0.000 0.194 356 D C 2.250 178.491 176.300 -0.099 0.000 0.994 356 D CA 1.635 55.595 54.000 -0.068 0.000 0.830 356 D CB -0.081 40.697 40.800 -0.037 0.000 0.959 356 D HN 0.308 nan 8.370 nan 0.000 0.452 357 A N 1.084 123.839 122.820 -0.108 0.000 1.877 357 A HA -0.062 4.258 4.320 -0.001 0.000 0.216 357 A C 2.333 179.747 177.584 -0.284 0.000 1.186 357 A CA 2.389 54.322 52.037 -0.173 0.000 0.620 357 A CB -0.830 18.125 19.000 -0.074 0.000 0.822 357 A HN 0.237 nan 8.150 nan 0.000 0.443 358 A N -0.191 122.491 122.820 -0.230 0.000 1.940 358 A HA 0.113 4.433 4.320 -0.001 0.000 0.219 358 A C 2.465 180.089 177.584 0.068 0.000 1.176 358 A CA 2.177 54.162 52.037 -0.087 0.000 0.631 358 A CB -0.926 17.854 19.000 -0.367 0.000 0.814 358 A HN 1.074 nan 8.150 nan 0.000 0.446 359 A N -0.273 122.532 122.820 -0.026 0.000 1.930 359 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 359 A C 1.930 179.492 177.584 -0.037 0.000 1.175 359 A CA 1.497 53.529 52.037 -0.008 0.000 0.627 359 A CB -0.440 18.541 19.000 -0.031 0.000 0.815 359 A HN 0.640 nan 8.150 nan 0.000 0.443 360 E N -0.373 119.781 120.200 -0.077 0.000 2.072 360 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 360 E C 1.847 178.392 176.600 -0.092 0.000 0.985 360 E CA 1.141 57.487 56.400 -0.090 0.000 0.801 360 E CB -0.243 29.387 29.700 -0.116 0.000 0.750 360 E HN 0.687 nan 8.360 nan 0.000 0.452 361 I N 0.986 121.484 120.570 -0.121 0.000 2.439 361 I HA -0.191 3.979 4.170 -0.001 0.000 0.251 361 I C 2.519 178.663 176.117 0.045 0.000 1.139 361 I CA 0.490 61.728 61.300 -0.104 0.000 1.438 361 I CB -0.020 37.790 38.000 -0.317 0.000 1.085 361 I HN 0.096 nan 8.210 nan 0.000 0.427 362 I N 1.172 121.782 120.570 0.066 0.000 2.335 362 I HA -0.311 3.859 4.170 -0.001 0.000 0.251 362 I C 2.223 178.297 176.117 -0.070 0.000 1.129 362 I CA 1.616 62.872 61.300 -0.074 0.000 1.402 362 I CB -0.103 37.673 38.000 -0.374 0.000 1.069 362 I HN 0.150 nan 8.210 nan 0.000 0.424 363 K N 0.229 120.597 120.400 -0.054 0.000 2.365 363 K HA -0.043 4.276 4.320 -0.001 0.000 0.199 363 K C 1.771 178.351 176.600 -0.033 0.000 1.045 363 K CA 0.857 57.114 56.287 -0.049 0.000 0.962 363 K CB -0.002 32.469 32.500 -0.048 0.000 0.759 363 K HN 0.420 nan 8.250 nan 0.000 0.469 364 L N 0.560 121.770 121.223 -0.022 0.000 2.492 364 L HA -0.006 4.334 4.340 -0.001 0.000 0.223 364 L C 0.276 177.153 176.870 0.011 0.000 1.132 364 L CA -0.133 54.699 54.840 -0.014 0.000 0.850 364 L CB -0.658 41.385 42.059 -0.026 0.000 0.966 364 L HN 0.267 nan 8.230 nan 0.000 0.454 365 N N 1.240 119.955 118.700 0.026 0.000 2.667 365 N HA -0.197 4.542 4.740 -0.001 0.000 0.263 365 N C -0.492 175.068 175.510 0.082 0.000 1.038 365 N CA 0.478 53.553 53.050 0.043 0.000 0.749 365 N CB -1.024 37.469 38.487 0.010 0.000 0.892 365 N HN 0.249 nan 8.380 nan 0.000 0.546 366 L N 0.000 121.315 121.223 0.154 0.000 2.949 366 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 366 L CA 0.000 54.925 54.840 0.142 0.000 0.813 366 L CB 0.000 42.100 42.059 0.068 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502