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 2flp_1_A DATA FIRST_RESID 26 DATA SEQUENCE SSRVIVHVDL DCFYAQVEMI SNPELKDKPL GVQQKYLVVT CNYEARKLGV DATA SEQUENCE KKLMNVRDAK EKCPQLVLVN GEDLTRYREM SYKVTELLEE FSPVVERLGF DATA SEQUENCE DENFVDLTEM VEKRLQQLQS DELSAVTVSG HVYNNQSINL LDVLHIRLLV DATA SEQUENCE GSQIAAEMRE AMYNQLGLTG CAGVASNKLL AKLVSGVFKP NQQTVLLPES DATA SEQUENCE CQHLIHSLNH IKEIPGIGYK TAKCLEALGI NSVRDLQTFS PKILEKELGI DATA SEQUENCE SVAQRIQKLS FGEDNSPVIL SGPPQSFSEE DSFKKCSSEV EAKNKIEELL DATA SEQUENCE ASLLNRVCQD GRKPHTVRLI IRRYXXXXXY GRESRQCPIP SHVIQXXXXX DATA SEQUENCE XXXVMTPMVD ILMKLFRNMX XXXXXXXXTL LSVCFCNLK 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.604 174.600 0.007 0.000 1.055 26 S CA 0.000 58.203 58.200 0.004 0.000 1.107 26 S CB 0.000 63.201 63.200 0.001 0.000 0.593 27 S N 1.827 117.534 115.700 0.011 0.000 2.537 27 S HA 0.665 5.149 4.470 0.023 0.000 0.275 27 S C -0.202 174.409 174.600 0.019 0.000 1.272 27 S CA -0.400 57.809 58.200 0.015 0.000 1.050 27 S CB 0.478 63.691 63.200 0.021 0.000 0.961 27 S HN 0.467 nan 8.310 nan 0.000 0.496 28 R N 1.946 122.457 120.500 0.019 0.000 2.828 28 R HA 0.721 5.075 4.340 0.023 0.000 0.264 28 R C -1.380 174.938 176.300 0.029 0.000 1.022 28 R CA -0.952 55.161 56.100 0.022 0.000 1.021 28 R CB 1.551 31.859 30.300 0.015 0.000 1.163 28 R HN 0.389 nan 8.270 nan 0.000 0.494 29 V N 3.464 123.398 119.914 0.034 0.000 2.409 29 V HA 0.377 4.511 4.120 0.023 0.000 0.290 29 V C -0.719 175.405 176.094 0.049 0.000 1.017 29 V CA -0.683 61.641 62.300 0.040 0.000 0.841 29 V CB 1.557 33.403 31.823 0.039 0.000 1.003 29 V HN 0.517 nan 8.190 nan 0.000 0.426 30 I N 5.102 125.709 120.570 0.062 0.000 2.509 30 I HA 0.542 4.726 4.170 0.023 0.000 0.293 30 I C -0.190 175.994 176.117 0.111 0.000 1.020 30 I CA -0.795 60.562 61.300 0.094 0.000 1.088 30 I CB 1.935 40.001 38.000 0.110 0.000 1.267 30 I HN 0.356 nan 8.210 nan 0.000 0.430 31 V N 6.165 126.149 119.914 0.115 0.000 2.581 31 V HA 0.451 4.585 4.120 0.023 0.000 0.303 31 V C -0.755 175.414 176.094 0.126 0.000 1.041 31 V CA -0.413 61.937 62.300 0.083 0.000 0.907 31 V CB 1.965 33.787 31.823 -0.001 0.000 0.994 31 V HN 0.811 nan 8.190 nan 0.000 0.442 32 H N 5.525 124.565 119.070 -0.049 0.000 2.551 32 H HA 0.569 5.138 4.556 0.022 0.000 0.321 32 H C -1.510 173.674 175.328 -0.239 0.000 1.028 32 H CA -0.569 55.315 56.048 -0.273 0.000 1.215 32 H CB 1.820 31.430 29.762 -0.254 0.000 1.414 32 H HN 0.514 nan 8.280 nan 0.000 0.480 33 V N 5.799 125.284 119.914 -0.714 0.000 2.370 33 V HA 0.102 4.236 4.120 0.023 0.000 0.279 33 V C -0.020 175.667 176.094 -0.677 0.000 1.029 33 V CA -0.500 61.480 62.300 -0.533 0.000 0.870 33 V CB 1.397 33.015 31.823 -0.342 0.000 0.984 33 V HN 0.741 nan 8.190 nan 0.000 0.451 34 D N 4.632 124.754 120.400 -0.464 0.000 2.469 34 D HA 0.362 5.015 4.640 0.023 0.000 0.251 34 D C -0.806 175.389 176.300 -0.175 0.000 1.173 34 D CA -0.475 53.316 54.000 -0.347 0.000 0.882 34 D CB 1.579 42.246 40.800 -0.222 0.000 1.129 34 D HN 0.202 nan 8.370 nan 0.000 0.549 35 L N 3.576 124.694 121.223 -0.176 0.000 2.410 35 L HA 0.178 4.531 4.340 0.023 0.000 0.273 35 L C 0.519 177.408 176.870 0.031 0.000 1.152 35 L CA 0.036 54.834 54.840 -0.069 0.000 0.855 35 L CB 0.517 42.497 42.059 -0.132 0.000 1.129 35 L HN 0.296 nan 8.230 nan 0.000 0.463 36 D N 2.432 122.887 120.400 0.092 0.000 2.458 36 D HA -0.009 4.645 4.640 0.023 0.000 0.243 36 D C 0.958 177.380 176.300 0.204 0.000 1.146 36 D CA 0.123 54.223 54.000 0.166 0.000 0.877 36 D CB 0.384 41.290 40.800 0.176 0.000 1.176 36 D HN 0.901 nan 8.370 nan 0.000 0.461 37 C N 2.502 121.901 119.300 0.165 0.000 3.027 37 C HA -0.242 4.231 4.460 0.023 0.000 0.230 37 C C 1.760 176.815 174.990 0.110 0.000 1.446 37 C CA -0.856 58.212 59.018 0.083 0.000 2.147 37 C CB -2.877 24.893 27.740 0.050 0.000 1.420 37 C HN 0.645 nan 8.230 nan 0.000 0.451 38 F N 1.738 121.651 119.950 -0.062 0.000 2.043 38 F HA -0.131 4.409 4.527 0.022 0.000 0.297 38 F C 2.169 177.998 175.800 0.049 0.000 1.118 38 F CA 2.536 60.530 58.000 -0.010 0.000 1.202 38 F CB -0.669 38.316 39.000 -0.024 0.000 0.965 38 F HN 0.520 nan 8.300 nan 0.000 0.482 39 Y N 0.145 120.176 120.300 -0.449 0.000 2.274 39 Y HA -0.048 4.516 4.550 0.024 0.000 0.290 39 Y C 2.628 178.310 175.900 -0.362 0.000 1.145 39 Y CA 0.552 58.160 58.100 -0.820 0.000 1.203 39 Y CB -1.836 36.066 38.460 -0.931 0.000 0.984 39 Y HN 0.174 nan 8.280 nan 0.000 0.533 40 A N -0.118 122.682 122.820 -0.033 0.000 1.930 40 A HA -0.203 4.131 4.320 0.023 0.000 0.217 40 A C 2.227 179.826 177.584 0.025 0.000 1.175 40 A CA 1.428 53.474 52.037 0.014 0.000 0.627 40 A CB -0.643 18.368 19.000 0.018 0.000 0.815 40 A HN 0.475 nan 8.150 nan 0.000 0.443 41 Q N -0.500 119.314 119.800 0.024 0.000 2.050 41 Q HA -0.129 4.225 4.340 0.023 0.000 0.202 41 Q C 2.156 178.165 176.000 0.015 0.000 0.980 41 Q CA 1.728 57.563 55.803 0.055 0.000 0.840 41 Q CB -0.337 28.475 28.738 0.124 0.000 0.898 41 Q HN 0.490 nan 8.270 nan 0.000 0.424 42 V N 1.401 121.266 119.914 -0.082 0.000 2.407 42 V HA -0.228 3.905 4.120 0.023 0.000 0.248 42 V C 2.109 178.227 176.094 0.040 0.000 1.055 42 V CA 1.649 63.924 62.300 -0.042 0.000 1.049 42 V CB -0.416 31.375 31.823 -0.053 0.000 0.662 42 V HN 0.323 nan 8.190 nan 0.000 0.455 43 E N -0.367 119.874 120.200 0.069 0.000 2.072 43 E HA -0.117 4.247 4.350 0.023 0.000 0.190 43 E C 2.202 178.831 176.600 0.048 0.000 0.982 43 E CA 1.130 57.574 56.400 0.073 0.000 0.803 43 E CB -0.331 29.422 29.700 0.088 0.000 0.755 43 E HN 0.560 nan 8.360 nan 0.000 0.453 44 M N 0.269 119.897 119.600 0.048 0.000 2.267 44 M HA -0.140 4.354 4.480 0.023 0.000 0.263 44 M C 2.278 178.604 176.300 0.044 0.000 1.063 44 M CA 1.204 56.533 55.300 0.048 0.000 1.090 44 M CB -0.369 32.267 32.600 0.059 0.000 1.392 44 M HN 0.042 nan 8.290 nan 0.000 0.422 45 I N -0.813 119.782 120.570 0.042 0.000 2.286 45 I HA -0.210 3.973 4.170 0.023 0.000 0.245 45 I C 2.495 178.625 176.117 0.022 0.000 1.104 45 I CA 0.982 62.302 61.300 0.033 0.000 1.397 45 I CB -0.258 37.762 38.000 0.032 0.000 1.072 45 I HN 0.174 nan 8.210 nan 0.000 0.417 46 S N 0.320 116.031 115.700 0.019 0.000 2.355 46 S HA -0.104 4.380 4.470 0.023 0.000 0.222 46 S C 1.182 175.788 174.600 0.011 0.000 1.031 46 S CA 1.127 59.333 58.200 0.010 0.000 0.993 46 S CB -0.210 62.991 63.200 0.002 0.000 0.859 46 S HN 0.331 nan 8.310 nan 0.000 0.453 47 N N 0.868 119.578 118.700 0.018 0.000 2.898 47 N HA 0.307 5.060 4.740 0.023 0.000 0.245 47 N C -2.599 172.925 175.510 0.023 0.000 1.185 47 N CA -2.230 50.831 53.050 0.018 0.000 0.879 47 N CB 1.191 39.688 38.487 0.016 0.000 1.157 47 N HN -0.077 nan 8.380 nan 0.000 0.503 48 P HA -0.128 nan 4.420 nan 0.000 0.219 48 P C 0.400 177.716 177.300 0.026 0.000 1.144 48 P CA 1.182 64.298 63.100 0.027 0.000 0.806 48 P CB 0.353 32.067 31.700 0.024 0.000 0.771 49 E N -1.102 119.111 120.200 0.022 0.000 2.472 49 E HA -0.074 4.289 4.350 0.023 0.000 0.200 49 E C 1.389 178.003 176.600 0.023 0.000 1.046 49 E CA 0.457 56.869 56.400 0.021 0.000 0.871 49 E CB -0.441 29.268 29.700 0.016 0.000 0.806 49 E HN 0.350 nan 8.360 nan 0.000 0.533 50 L N -0.382 120.857 121.223 0.027 0.000 2.463 50 L HA 0.051 4.404 4.340 0.023 0.000 0.219 50 L C 2.665 179.557 176.870 0.036 0.000 1.088 50 L CA 0.597 55.455 54.840 0.030 0.000 0.849 50 L CB -0.521 41.556 42.059 0.031 0.000 1.012 50 L HN -0.009 nan 8.230 nan 0.000 0.468 51 K N 1.095 121.519 120.400 0.040 0.000 2.071 51 K HA -0.351 3.982 4.320 0.023 0.000 0.217 51 K C 1.788 178.416 176.600 0.046 0.000 1.054 51 K CA 2.859 59.174 56.287 0.048 0.000 0.937 51 K CB -2.170 30.358 32.500 0.048 0.000 0.719 51 K HN 0.582 nan 8.250 nan 0.000 0.454 52 D N -0.161 120.262 120.400 0.038 0.000 2.234 52 D HA 0.257 4.910 4.640 0.023 0.000 0.205 52 D C 1.483 177.804 176.300 0.034 0.000 0.962 52 D CA 1.431 55.452 54.000 0.036 0.000 0.855 52 D CB -0.490 40.327 40.800 0.029 0.000 0.951 52 D HN 0.927 nan 8.370 nan 0.000 0.500 53 K N 1.234 121.653 120.400 0.031 0.000 2.174 53 K HA 0.571 4.905 4.320 0.023 0.000 0.275 53 K C -2.849 173.767 176.600 0.026 0.000 1.015 53 K CA -1.667 54.635 56.287 0.026 0.000 0.933 53 K CB 0.292 32.805 32.500 0.022 0.000 1.025 53 K HN 0.162 nan 8.250 nan 0.000 0.463 54 P HA 0.177 nan 4.420 nan 0.000 0.271 54 P C -0.978 176.327 177.300 0.008 0.000 1.233 54 P CA -0.298 62.809 63.100 0.012 0.000 0.764 54 P CB 0.506 32.209 31.700 0.005 0.000 0.825 55 L N 4.342 125.569 121.223 0.006 0.000 2.356 55 L HA 0.772 5.126 4.340 0.023 0.000 0.277 55 L C -0.117 176.752 176.870 -0.001 0.000 0.996 55 L CA -0.235 54.611 54.840 0.010 0.000 0.822 55 L CB 1.488 43.561 42.059 0.023 0.000 1.256 55 L HN 0.411 nan 8.230 nan 0.000 0.413 56 G N 4.322 113.125 108.800 0.004 0.000 2.379 56 G HA2 0.591 4.564 3.960 0.023 0.000 0.327 56 G HA3 0.591 4.564 3.960 0.023 0.000 0.327 56 G C -1.405 173.509 174.900 0.024 0.000 1.145 56 G CA -0.508 44.593 45.100 0.002 0.000 0.905 56 G HN 0.496 nan 8.290 nan 0.000 0.466 57 V N 2.411 122.346 119.914 0.035 0.000 2.398 57 V HA 0.466 4.600 4.120 0.023 0.000 0.286 57 V C 0.201 176.341 176.094 0.076 0.000 1.026 57 V CA -0.587 61.760 62.300 0.077 0.000 0.868 57 V CB 1.103 33.001 31.823 0.126 0.000 0.982 57 V HN 0.923 nan 8.190 nan 0.000 0.443 58 Q N 4.640 124.486 119.800 0.077 0.000 2.348 58 Q HA 0.730 5.084 4.340 0.023 0.000 0.271 58 Q C -1.428 174.617 176.000 0.075 0.000 1.067 58 Q CA -0.887 54.953 55.803 0.061 0.000 0.839 58 Q CB 2.580 31.341 28.738 0.039 0.000 1.354 58 Q HN 0.730 nan 8.270 nan 0.000 0.447 59 Q N 1.900 121.736 119.800 0.061 0.000 2.271 59 Q HA 0.305 4.658 4.340 0.023 0.000 0.268 59 Q C -0.813 175.209 176.000 0.037 0.000 1.021 59 Q CA -1.002 54.837 55.803 0.059 0.000 0.802 59 Q CB 1.967 30.749 28.738 0.073 0.000 1.282 59 Q HN 0.686 nan 8.270 nan 0.000 0.431 60 K N -0.823 119.598 120.400 0.035 0.000 1.770 60 K HA -0.356 3.977 4.320 0.023 0.000 0.116 60 K C 1.386 178.000 176.600 0.023 0.000 1.151 60 K CA 2.679 58.984 56.287 0.029 0.000 0.383 60 K CB -1.793 30.720 32.500 0.021 0.000 0.607 60 K HN 0.883 nan 8.250 nan 0.000 0.907 61 Y N 1.564 121.873 120.300 0.016 0.000 2.511 61 Y HA 0.420 4.984 4.550 0.023 0.000 0.279 61 Y C 1.645 177.548 175.900 0.005 0.000 1.157 61 Y CA 0.372 58.478 58.100 0.010 0.000 1.300 61 Y CB 0.099 38.563 38.460 0.006 0.000 1.052 61 Y HN 0.224 nan 8.280 nan 0.000 0.529 62 L N 0.136 121.362 121.223 0.006 0.000 2.352 62 L HA 0.599 4.953 4.340 0.023 0.000 0.269 62 L C -0.540 176.333 176.870 0.005 0.000 1.034 62 L CA -1.128 53.712 54.840 -0.001 0.000 0.806 62 L CB 2.055 44.110 42.059 -0.007 0.000 1.244 62 L HN 0.036 nan 8.230 nan 0.000 0.447 63 V N 2.393 122.303 119.914 -0.006 0.000 2.294 63 V HA 0.054 4.187 4.120 0.023 0.000 0.272 63 V C 0.891 176.972 176.094 -0.021 0.000 1.027 63 V CA -0.273 62.023 62.300 -0.007 0.000 0.823 63 V CB 1.404 33.216 31.823 -0.018 0.000 1.030 63 V HN 0.677 nan 8.190 nan 0.000 0.457 64 V N 2.210 122.119 119.914 -0.008 0.000 2.719 64 V HA 0.178 4.311 4.120 0.023 0.000 0.252 64 V C 0.801 176.841 176.094 -0.090 0.000 1.065 64 V CA 1.422 63.698 62.300 -0.040 0.000 1.086 64 V CB 0.093 31.911 31.823 -0.008 0.000 0.700 64 V HN 0.730 nan 8.190 nan 0.000 0.467 65 T N -0.173 114.336 114.554 -0.076 0.000 2.840 65 T HA 0.624 4.987 4.350 0.023 0.000 0.317 65 T C -1.280 173.374 174.700 -0.076 0.000 1.401 65 T CA 0.038 62.071 62.100 -0.111 0.000 1.028 65 T CB 1.419 70.172 68.868 -0.192 0.000 1.317 65 T HN 0.955 nan 8.240 nan 0.000 0.495 66 C N 3.237 122.476 119.300 -0.102 0.000 3.086 66 C HA 0.895 5.368 4.460 0.023 0.000 0.311 66 C C 0.131 175.052 174.990 -0.115 0.000 1.260 66 C CA -1.272 57.694 59.018 -0.086 0.000 1.426 66 C CB 0.528 28.213 27.740 -0.091 0.000 1.826 66 C HN 1.042 nan 8.230 nan 0.000 0.474 67 N N 0.183 118.849 118.700 -0.058 0.000 2.322 67 N HA 0.171 4.925 4.740 0.023 0.000 0.270 67 N C 0.442 175.879 175.510 -0.122 0.000 1.286 67 N CA -0.190 52.848 53.050 -0.019 0.000 0.948 67 N CB -0.024 38.503 38.487 0.067 0.000 1.164 67 N HN 0.740 nan 8.380 nan 0.000 0.551 68 Y N -0.492 119.815 120.300 0.012 0.000 2.151 68 Y HA -0.198 4.368 4.550 0.027 0.000 0.284 68 Y C 2.132 178.037 175.900 0.008 0.000 1.166 68 Y CA 2.113 60.218 58.100 0.009 0.000 1.163 68 Y CB -0.397 38.070 38.460 0.012 0.000 0.974 68 Y HN 0.596 nan 8.280 nan 0.000 0.511 69 E N -0.226 120.033 120.200 0.098 0.000 2.058 69 E HA -0.228 4.136 4.350 0.023 0.000 0.194 69 E C 2.363 178.971 176.600 0.013 0.000 0.997 69 E CA 1.473 57.909 56.400 0.061 0.000 0.801 69 E CB -0.616 29.118 29.700 0.057 0.000 0.746 69 E HN 0.448 nan 8.360 nan 0.000 0.450 70 A N 0.658 123.467 122.820 -0.018 0.000 1.897 70 A HA -0.106 4.228 4.320 0.023 0.000 0.215 70 A C 2.133 179.674 177.584 -0.071 0.000 1.181 70 A CA 1.314 53.327 52.037 -0.039 0.000 0.620 70 A CB -0.360 18.613 19.000 -0.045 0.000 0.821 70 A HN 0.069 nan 8.150 nan 0.000 0.443 71 R N -0.352 120.065 120.500 -0.137 0.000 2.096 71 R HA -0.208 4.145 4.340 0.023 0.000 0.240 71 R C 2.567 178.808 176.300 -0.098 0.000 1.139 71 R CA 2.268 58.258 56.100 -0.182 0.000 0.952 71 R CB -0.332 29.731 30.300 -0.395 0.000 0.854 71 R HN 0.507 nan 8.270 nan 0.000 0.436 72 K N 0.951 121.320 120.400 -0.051 0.000 2.147 72 K HA -0.071 4.263 4.320 0.023 0.000 0.205 72 K C 1.654 178.250 176.600 -0.006 0.000 1.049 72 K CA 1.648 57.934 56.287 -0.002 0.000 0.936 72 K CB -0.854 31.672 32.500 0.042 0.000 0.722 72 K HN 0.338 nan 8.250 nan 0.000 0.446 73 L N -0.872 120.343 121.223 -0.013 0.000 2.862 73 L HA 0.428 4.782 4.340 0.023 0.000 0.240 73 L C 1.527 178.385 176.870 -0.019 0.000 1.283 73 L CA 0.135 54.969 54.840 -0.011 0.000 1.117 73 L CB -0.771 41.285 42.059 -0.006 0.000 1.444 73 L HN 0.481 nan 8.230 nan 0.000 0.456 74 G N -0.537 108.248 108.800 -0.025 0.000 2.284 74 G HA2 -0.285 3.689 3.960 0.023 0.000 0.247 74 G HA3 -0.285 3.689 3.960 0.023 0.000 0.247 74 G C 0.398 175.274 174.900 -0.040 0.000 1.012 74 G CA 0.092 45.174 45.100 -0.029 0.000 0.618 74 G HN 0.197 nan 8.290 nan 0.000 0.521 75 V N 1.124 121.009 119.914 -0.048 0.000 2.872 75 V HA 0.530 4.664 4.120 0.023 0.000 0.307 75 V C 0.665 176.715 176.094 -0.073 0.000 1.072 75 V CA 0.786 63.053 62.300 -0.055 0.000 1.148 75 V CB 1.325 33.114 31.823 -0.057 0.000 0.954 75 V HN 0.532 nan 8.190 nan 0.000 0.490 76 K N 1.568 121.926 120.400 -0.069 0.000 2.578 76 K HA 0.569 4.902 4.320 0.023 0.000 0.287 76 K C 0.680 177.235 176.600 -0.074 0.000 1.010 76 K CA -0.277 55.963 56.287 -0.078 0.000 0.889 76 K CB 1.866 34.329 32.500 -0.062 0.000 1.514 76 K HN 0.591 nan 8.250 nan 0.000 0.424 77 K N 0.602 120.954 120.400 -0.080 0.000 2.632 77 K HA -0.238 4.096 4.320 0.023 0.000 0.186 77 K C 0.415 176.974 176.600 -0.070 0.000 0.727 77 K CA 2.589 58.832 56.287 -0.074 0.000 0.898 77 K CB -1.788 30.676 32.500 -0.060 0.000 0.632 77 K HN 0.448 nan 8.250 nan 0.000 0.840 78 L N 0.300 121.489 121.223 -0.058 0.000 2.551 78 L HA 0.393 4.747 4.340 0.023 0.000 0.248 78 L C 0.041 176.886 176.870 -0.041 0.000 1.509 78 L CA -0.247 54.563 54.840 -0.051 0.000 0.842 78 L CB 1.014 43.041 42.059 -0.054 0.000 1.087 78 L HN 0.591 nan 8.230 nan 0.000 0.512 79 M N -0.482 119.095 119.600 -0.038 0.000 2.267 79 M HA 0.274 4.768 4.480 0.023 0.000 0.303 79 M C 0.524 176.810 176.300 -0.023 0.000 1.164 79 M CA -0.467 54.815 55.300 -0.031 0.000 1.060 79 M CB 0.588 33.169 32.600 -0.031 0.000 1.455 79 M HN 0.254 nan 8.290 nan 0.000 0.483 80 N N 0.765 119.454 118.700 -0.019 0.000 2.441 80 N HA 0.085 4.839 4.740 0.023 0.000 0.251 80 N C 0.583 176.087 175.510 -0.009 0.000 1.242 80 N CA 0.087 53.130 53.050 -0.012 0.000 0.898 80 N CB 1.438 39.918 38.487 -0.011 0.000 1.100 80 N HN 0.643 nan 8.380 nan 0.000 0.443 81 V N 2.999 122.911 119.914 -0.004 0.000 3.440 81 V HA -0.139 3.994 4.120 0.023 0.000 0.274 81 V C 1.884 177.977 176.094 -0.001 0.000 1.207 81 V CA 1.656 63.956 62.300 -0.000 0.000 1.183 81 V CB -0.678 31.148 31.823 0.005 0.000 0.837 81 V HN 0.751 nan 8.190 nan 0.000 0.532 82 R N -1.593 118.905 120.500 -0.004 0.000 2.977 82 R HA 0.133 4.486 4.340 0.023 0.000 0.161 82 R C 1.994 178.291 176.300 -0.006 0.000 0.805 82 R CA 1.316 57.413 56.100 -0.003 0.000 1.044 82 R CB -0.352 29.947 30.300 -0.002 0.000 1.433 82 R HN 0.360 nan 8.270 nan 0.000 0.570 83 D N 0.586 120.981 120.400 -0.008 0.000 2.228 83 D HA -0.115 4.539 4.640 0.023 0.000 0.203 83 D C 1.543 177.836 176.300 -0.012 0.000 0.988 83 D CA 1.577 55.571 54.000 -0.010 0.000 0.864 83 D CB -0.275 40.517 40.800 -0.012 0.000 0.928 83 D HN 0.528 nan 8.370 nan 0.000 0.469 84 A N -0.640 122.172 122.820 -0.013 0.000 1.997 84 A HA 0.206 4.539 4.320 0.023 0.000 0.212 84 A C 2.152 179.729 177.584 -0.012 0.000 1.178 84 A CA 1.454 53.482 52.037 -0.015 0.000 0.698 84 A CB -0.017 18.972 19.000 -0.018 0.000 0.842 84 A HN 0.339 nan 8.150 nan 0.000 0.458 85 K N 0.218 120.613 120.400 -0.008 0.000 2.155 85 K HA -0.118 4.216 4.320 0.023 0.000 0.203 85 K C 1.751 178.348 176.600 -0.005 0.000 1.052 85 K CA 1.399 57.683 56.287 -0.005 0.000 0.948 85 K CB 0.000 32.499 32.500 -0.002 0.000 0.728 85 K HN 0.751 nan 8.250 nan 0.000 0.448 86 E N -0.025 120.172 120.200 -0.005 0.000 2.494 86 E HA -0.094 4.270 4.350 0.023 0.000 0.193 86 E C 1.023 177.619 176.600 -0.006 0.000 1.074 86 E CA 0.628 57.025 56.400 -0.005 0.000 0.867 86 E CB 0.360 30.057 29.700 -0.004 0.000 0.924 86 E HN -0.064 nan 8.360 nan 0.000 0.502 87 K N -0.071 120.324 120.400 -0.009 0.000 2.374 87 K HA 0.209 4.543 4.320 0.023 0.000 0.202 87 K C -1.079 175.515 176.600 -0.010 0.000 1.040 87 K CA 0.091 56.372 56.287 -0.010 0.000 1.085 87 K CB 1.153 33.645 32.500 -0.014 0.000 0.873 87 K HN 0.197 nan 8.250 nan 0.000 0.539 88 C N 0.482 119.777 119.300 -0.008 0.000 3.146 88 C HA 0.357 4.831 4.460 0.023 0.000 0.382 88 C C -2.432 172.556 174.990 -0.004 0.000 1.060 88 C CA -1.322 57.692 59.018 -0.006 0.000 1.304 88 C CB 0.745 28.479 27.740 -0.010 0.000 1.699 88 C HN 0.184 nan 8.230 nan 0.000 0.532 89 P HA -0.028 nan 4.420 nan 0.000 0.222 89 P C 1.103 178.404 177.300 0.002 0.000 1.153 89 P CA 1.082 64.182 63.100 0.000 0.000 0.798 89 P CB 0.074 31.774 31.700 0.001 0.000 0.796 90 Q N -0.044 119.757 119.800 0.002 0.000 2.319 90 Q HA 0.055 4.409 4.340 0.023 0.000 0.217 90 Q C -0.290 175.712 176.000 0.004 0.000 0.924 90 Q CA -0.041 55.764 55.803 0.004 0.000 0.964 90 Q CB -0.923 27.818 28.738 0.005 0.000 1.025 90 Q HN 0.212 nan 8.270 nan 0.000 0.465 91 L N 0.553 121.778 121.223 0.002 0.000 2.278 91 L HA 0.176 4.530 4.340 0.023 0.000 0.287 91 L C -0.466 176.407 176.870 0.006 0.000 1.072 91 L CA -0.137 54.704 54.840 0.002 0.000 0.819 91 L CB 1.127 43.185 42.059 -0.002 0.000 1.176 91 L HN -0.177 nan 8.230 nan 0.000 0.435 92 V N 6.692 126.611 119.914 0.009 0.000 2.614 92 V HA 0.256 4.390 4.120 0.023 0.000 0.291 92 V C 0.205 176.307 176.094 0.015 0.000 1.049 92 V CA -0.268 62.039 62.300 0.012 0.000 1.038 92 V CB 1.209 33.042 31.823 0.016 0.000 0.980 92 V HN 0.539 nan 8.190 nan 0.000 0.481 93 L N 5.351 126.584 121.223 0.017 0.000 2.362 93 L HA 0.760 5.113 4.340 0.023 0.000 0.271 93 L C -0.578 176.309 176.870 0.027 0.000 1.002 93 L CA -0.435 54.418 54.840 0.022 0.000 0.818 93 L CB 2.179 44.249 42.059 0.019 0.000 1.298 93 L HN 0.361 nan 8.230 nan 0.000 0.420 94 V N 1.292 121.229 119.914 0.038 0.000 2.962 94 V HA 0.417 4.551 4.120 0.023 0.000 0.313 94 V C -0.601 175.528 176.094 0.058 0.000 1.099 94 V CA -0.864 61.463 62.300 0.045 0.000 0.971 94 V CB 2.307 34.162 31.823 0.054 0.000 1.028 94 V HN 0.759 nan 8.190 nan 0.000 0.430 95 N N 1.692 120.422 118.700 0.051 0.000 2.455 95 N HA 0.355 5.108 4.740 0.023 0.000 0.280 95 N C 0.302 175.861 175.510 0.081 0.000 1.055 95 N CA 0.264 53.347 53.050 0.056 0.000 0.961 95 N CB 1.916 40.423 38.487 0.033 0.000 1.121 95 N HN 0.960 nan 8.380 nan 0.000 0.476 96 G N 2.694 111.569 108.800 0.126 0.000 4.250 96 G HA2 0.091 4.065 3.960 0.023 0.000 0.295 96 G HA3 0.091 4.065 3.960 0.023 0.000 0.295 96 G C 0.680 175.671 174.900 0.152 0.000 1.081 96 G CA -0.256 44.965 45.100 0.203 0.000 0.854 96 G HN 0.672 nan 8.290 nan 0.000 0.524 97 E N 0.232 120.479 120.200 0.079 0.000 2.150 97 E HA -0.088 4.276 4.350 0.023 0.000 0.193 97 E C 0.311 176.930 176.600 0.031 0.000 0.985 97 E CA 0.458 56.894 56.400 0.060 0.000 0.814 97 E CB 0.254 29.981 29.700 0.045 0.000 0.752 97 E HN 0.299 nan 8.360 nan 0.000 0.466 98 D N 0.730 121.117 120.400 -0.022 0.000 2.365 98 D HA 0.039 4.693 4.640 0.023 0.000 0.237 98 D C 0.567 176.762 176.300 -0.176 0.000 1.190 98 D CA -0.022 53.938 54.000 -0.068 0.000 0.867 98 D CB 0.730 41.475 40.800 -0.093 0.000 1.050 98 D HN 0.031 nan 8.370 nan 0.000 0.491 99 L N 2.912 124.100 121.223 -0.059 0.000 2.554 99 L HA -0.034 4.319 4.340 0.023 0.000 0.226 99 L C 2.007 178.849 176.870 -0.046 0.000 1.137 99 L CA 0.136 54.984 54.840 0.012 0.000 0.863 99 L CB -0.413 41.824 42.059 0.297 0.000 0.985 99 L HN 0.373 nan 8.230 nan 0.000 0.451 100 T N 0.552 115.043 114.554 -0.104 0.000 2.565 100 T HA -0.282 4.082 4.350 0.023 0.000 0.265 100 T C 1.958 176.584 174.700 -0.123 0.000 1.082 100 T CA 1.877 63.932 62.100 -0.075 0.000 1.173 100 T CB -0.245 68.570 68.868 -0.089 0.000 0.864 100 T HN 0.418 nan 8.240 nan 0.000 0.425 101 R N 0.032 120.362 120.500 -0.283 0.000 2.120 101 R HA -0.044 4.310 4.340 0.023 0.000 0.234 101 R C 2.392 178.636 176.300 -0.094 0.000 1.123 101 R CA 1.403 57.375 56.100 -0.213 0.000 0.975 101 R CB -0.520 29.622 30.300 -0.264 0.000 0.866 101 R HN 0.592 nan 8.270 nan 0.000 0.446 102 Y N 0.305 120.567 120.300 -0.063 0.000 2.263 102 Y HA -0.079 4.485 4.550 0.024 0.000 0.292 102 Y C 2.757 178.731 175.900 0.123 0.000 1.130 102 Y CA 0.377 58.467 58.100 -0.017 0.000 1.179 102 Y CB -0.122 38.306 38.460 -0.054 0.000 0.998 102 Y HN -0.006 nan 8.280 nan 0.000 0.532 103 R N 1.184 121.761 120.500 0.129 0.000 2.075 103 R HA -0.170 4.184 4.340 0.023 0.000 0.232 103 R C 1.705 177.997 176.300 -0.012 0.000 1.126 103 R CA 1.730 57.695 56.100 -0.225 0.000 0.963 103 R CB -0.115 30.123 30.300 -0.102 0.000 0.858 103 R HN 0.425 nan 8.270 nan 0.000 0.435 104 E N 0.110 120.352 120.200 0.070 0.000 2.051 104 E HA -0.230 4.133 4.350 0.023 0.000 0.192 104 E C 1.899 178.580 176.600 0.136 0.000 0.991 104 E CA 1.578 58.044 56.400 0.109 0.000 0.799 104 E CB -0.131 29.604 29.700 0.059 0.000 0.748 104 E HN 0.191 nan 8.360 nan 0.000 0.449 105 M N 0.582 120.283 119.600 0.169 0.000 2.117 105 M HA -0.143 4.350 4.480 0.023 0.000 0.262 105 M C 2.269 178.717 176.300 0.248 0.000 1.065 105 M CA 1.313 56.758 55.300 0.241 0.000 1.114 105 M CB -0.277 32.507 32.600 0.307 0.000 1.361 105 M HN -0.049 nan 8.290 nan 0.000 0.408 106 S N -0.878 114.957 115.700 0.225 0.000 2.359 106 S HA -0.225 4.259 4.470 0.023 0.000 0.223 106 S C 1.874 176.312 174.600 -0.271 0.000 1.039 106 S CA 1.807 59.922 58.200 -0.142 0.000 1.042 106 S CB -0.542 62.396 63.200 -0.436 0.000 0.915 106 S HN 0.670 nan 8.310 nan 0.000 0.439 107 Y N 1.322 121.589 120.300 -0.055 0.000 2.352 107 Y HA 0.038 4.602 4.550 0.024 0.000 0.292 107 Y C 2.443 178.344 175.900 0.002 0.000 1.136 107 Y CA 1.154 59.233 58.100 -0.033 0.000 1.227 107 Y CB -0.061 38.382 38.460 -0.029 0.000 0.991 107 Y HN 0.222 nan 8.280 nan 0.000 0.545 108 K N -0.451 120.029 120.400 0.133 0.000 2.097 108 K HA -0.160 4.174 4.320 0.023 0.000 0.206 108 K C 1.975 178.616 176.600 0.069 0.000 1.049 108 K CA 1.497 57.845 56.287 0.103 0.000 0.933 108 K CB -0.404 32.153 32.500 0.096 0.000 0.717 108 K HN 0.121 nan 8.250 nan 0.000 0.442 109 V N 1.098 121.030 119.914 0.030 0.000 2.261 109 V HA -0.260 3.874 4.120 0.023 0.000 0.246 109 V C 2.169 178.258 176.094 -0.009 0.000 1.047 109 V CA 2.163 64.459 62.300 -0.006 0.000 1.015 109 V CB -0.641 31.129 31.823 -0.087 0.000 0.642 109 V HN 0.399 nan 8.190 nan 0.000 0.446 110 T N -0.373 114.159 114.554 -0.038 0.000 2.684 110 T HA -0.249 4.114 4.350 0.023 0.000 0.267 110 T C 1.801 176.540 174.700 0.065 0.000 1.036 110 T CA 1.893 63.988 62.100 -0.008 0.000 1.148 110 T CB -0.321 68.529 68.868 -0.031 0.000 0.863 110 T HN 0.582 nan 8.240 nan 0.000 0.436 111 E N 0.540 120.798 120.200 0.096 0.000 2.160 111 E HA -0.073 4.291 4.350 0.023 0.000 0.195 111 E C 2.186 178.845 176.600 0.099 0.000 0.991 111 E CA 0.678 57.138 56.400 0.101 0.000 0.810 111 E CB -0.243 29.517 29.700 0.100 0.000 0.742 111 E HN 0.401 nan 8.360 nan 0.000 0.466 112 L N 0.696 121.981 121.223 0.103 0.000 2.072 112 L HA -0.146 4.208 4.340 0.023 0.000 0.205 112 L C 2.101 179.115 176.870 0.240 0.000 1.079 112 L CA 0.993 55.919 54.840 0.144 0.000 0.752 112 L CB -0.005 42.135 42.059 0.134 0.000 0.906 112 L HN 0.163 nan 8.230 nan 0.000 0.436 113 L N -0.403 120.920 121.223 0.166 0.000 2.141 113 L HA -0.177 4.177 4.340 0.023 0.000 0.209 113 L C 2.385 179.386 176.870 0.217 0.000 1.094 113 L CA 1.039 55.988 54.840 0.182 0.000 0.763 113 L CB -0.554 41.518 42.059 0.021 0.000 0.908 113 L HN 0.293 nan 8.230 nan 0.000 0.437 114 E N 0.163 120.451 120.200 0.146 0.000 2.160 114 E HA -0.284 4.080 4.350 0.023 0.000 0.195 114 E C 2.033 178.706 176.600 0.122 0.000 0.991 114 E CA 1.189 57.662 56.400 0.122 0.000 0.810 114 E CB -0.012 29.742 29.700 0.091 0.000 0.742 114 E HN 0.448 nan 8.360 nan 0.000 0.466 115 E N -0.268 120.005 120.200 0.122 0.000 2.204 115 E HA -0.159 4.205 4.350 0.023 0.000 0.194 115 E C 1.432 178.020 176.600 -0.018 0.000 0.989 115 E CA 0.549 56.964 56.400 0.026 0.000 0.824 115 E CB 0.059 29.738 29.700 -0.035 0.000 0.756 115 E HN 0.185 nan 8.360 nan 0.000 0.477 116 F N 0.440 120.400 119.950 0.017 0.000 2.084 116 F HA -0.008 4.533 4.527 0.024 0.000 0.296 116 F C 1.407 177.218 175.800 0.019 0.000 1.111 116 F CA 0.845 58.855 58.000 0.017 0.000 1.224 116 F CB 0.048 39.058 39.000 0.016 0.000 0.991 116 F HN -0.166 nan 8.300 nan 0.000 0.471 117 S N -0.448 115.390 115.700 0.229 0.000 2.566 117 S HA 0.316 4.800 4.470 0.023 0.000 0.273 117 S C -2.117 172.547 174.600 0.106 0.000 1.157 117 S CA -1.361 56.919 58.200 0.132 0.000 0.938 117 S CB 1.661 64.934 63.200 0.122 0.000 1.087 117 S HN -0.187 nan 8.310 nan 0.000 0.474 118 P HA -0.007 nan 4.420 nan 0.000 0.220 118 P C 0.277 177.617 177.300 0.067 0.000 1.148 118 P CA 0.721 63.861 63.100 0.066 0.000 0.803 118 P CB -0.068 31.661 31.700 0.049 0.000 0.782 119 V N 2.015 121.969 119.914 0.066 0.000 2.299 119 V HA 0.129 4.262 4.120 0.023 0.000 0.255 119 V C 0.299 176.439 176.094 0.077 0.000 1.100 119 V CA -0.181 62.157 62.300 0.064 0.000 0.938 119 V CB 0.669 32.524 31.823 0.053 0.000 1.139 119 V HN -0.190 nan 8.190 nan 0.000 0.490 120 V N 4.084 124.047 119.914 0.081 0.000 2.540 120 V HA 0.465 4.599 4.120 0.023 0.000 0.302 120 V C -0.137 176.018 176.094 0.101 0.000 1.035 120 V CA -0.711 61.644 62.300 0.091 0.000 0.873 120 V CB 2.237 34.105 31.823 0.075 0.000 0.992 120 V HN 0.834 nan 8.190 nan 0.000 0.428 121 E N 4.221 124.507 120.200 0.143 0.000 2.158 121 E HA 0.531 4.894 4.350 0.023 0.000 0.271 121 E C -0.596 176.106 176.600 0.169 0.000 0.911 121 E CA -0.780 55.718 56.400 0.163 0.000 0.767 121 E CB 1.304 31.120 29.700 0.194 0.000 1.120 121 E HN 0.588 nan 8.360 nan 0.000 0.405 122 R N 3.193 123.759 120.500 0.109 0.000 2.500 122 R HA 0.479 4.832 4.340 0.023 0.000 0.277 122 R C -0.434 175.937 176.300 0.117 0.000 1.026 122 R CA -0.629 55.510 56.100 0.063 0.000 1.058 122 R CB 1.022 31.328 30.300 0.010 0.000 1.078 122 R HN 0.435 nan 8.270 nan 0.000 0.509 123 L N 2.586 123.864 121.223 0.091 0.000 2.485 123 L HA 0.330 4.683 4.340 0.023 0.000 0.260 123 L C -0.006 176.903 176.870 0.065 0.000 0.998 123 L CA 0.119 55.029 54.840 0.116 0.000 0.883 123 L CB 1.107 43.274 42.059 0.181 0.000 1.196 123 L HN 1.009 nan 8.230 nan 0.000 0.443 124 G N 2.497 111.351 108.800 0.090 0.000 2.645 124 G HA2 -0.324 3.649 3.960 0.023 0.000 0.239 124 G HA3 -0.324 3.649 3.960 0.023 0.000 0.239 124 G C 0.227 175.280 174.900 0.254 0.000 1.331 124 G CA 0.406 45.568 45.100 0.103 0.000 0.890 124 G HN 0.536 nan 8.290 nan 0.000 0.572 125 F N 0.578 120.502 119.950 -0.042 0.000 2.664 125 F HA 0.143 4.683 4.527 0.022 0.000 0.296 125 F C 2.144 177.749 175.800 -0.325 0.000 1.125 125 F CA 0.703 58.657 58.000 -0.077 0.000 1.444 125 F CB 0.316 39.442 39.000 0.209 0.000 1.114 125 F HN 0.489 nan 8.300 nan 0.000 0.576 126 D N -1.082 119.236 120.400 -0.138 0.000 2.501 126 D HA 0.106 4.760 4.640 0.023 0.000 0.224 126 D C -0.225 175.882 176.300 -0.323 0.000 1.202 126 D CA 0.062 53.810 54.000 -0.420 0.000 0.829 126 D CB -0.262 40.302 40.800 -0.394 0.000 1.023 126 D HN 0.156 nan 8.370 nan 0.000 0.499 127 E N -0.165 119.889 120.200 -0.244 0.000 2.317 127 E HA 0.498 4.862 4.350 0.023 0.000 0.270 127 E C -0.900 175.532 176.600 -0.280 0.000 0.885 127 E CA -0.940 55.276 56.400 -0.305 0.000 0.760 127 E CB 1.817 31.419 29.700 -0.164 0.000 1.227 127 E HN -0.006 nan 8.360 nan 0.000 0.434 128 N N 1.605 120.066 118.700 -0.399 0.000 2.308 128 N HA 0.379 5.133 4.740 0.023 0.000 0.283 128 N C -1.546 173.778 175.510 -0.309 0.000 1.105 128 N CA -0.472 52.441 53.050 -0.229 0.000 0.840 128 N CB 1.674 40.062 38.487 -0.164 0.000 1.633 128 N HN 0.220 nan 8.380 nan 0.000 0.476 129 F N 0.704 120.669 119.950 0.026 0.000 2.480 129 F HA 0.560 5.101 4.527 0.024 0.000 0.329 129 F C 0.220 176.030 175.800 0.016 0.000 1.091 129 F CA -0.710 57.322 58.000 0.052 0.000 0.972 129 F CB 1.763 40.805 39.000 0.071 0.000 1.150 129 F HN -0.022 nan 8.300 nan 0.000 0.467 130 V N 1.765 121.792 119.914 0.187 0.000 2.638 130 V HA 0.245 4.379 4.120 0.023 0.000 0.306 130 V C -0.980 175.181 176.094 0.111 0.000 1.052 130 V CA -0.928 61.440 62.300 0.115 0.000 0.885 130 V CB 1.919 33.769 31.823 0.044 0.000 0.999 130 V HN 0.609 nan 8.190 nan 0.000 0.424 131 D N 3.872 124.325 120.400 0.088 0.000 2.316 131 D HA 0.321 4.975 4.640 0.023 0.000 0.245 131 D C 0.414 176.750 176.300 0.060 0.000 1.171 131 D CA -0.010 54.030 54.000 0.067 0.000 0.856 131 D CB 1.553 42.383 40.800 0.049 0.000 1.090 131 D HN 0.496 nan 8.370 nan 0.000 0.476 132 L N 3.031 124.287 121.223 0.055 0.000 2.640 132 L HA 0.034 4.387 4.340 0.023 0.000 0.230 132 L C 2.102 179.001 176.870 0.048 0.000 1.123 132 L CA -0.078 54.793 54.840 0.052 0.000 0.900 132 L CB 0.128 42.213 42.059 0.043 0.000 1.146 132 L HN 0.342 nan 8.230 nan 0.000 0.484 133 T N 0.146 114.725 114.554 0.042 0.000 2.653 133 T HA -0.251 4.112 4.350 0.023 0.000 0.268 133 T C 1.658 176.379 174.700 0.035 0.000 1.035 133 T CA 1.835 63.957 62.100 0.036 0.000 1.154 133 T CB -0.074 68.812 68.868 0.030 0.000 0.862 133 T HN 0.434 nan 8.240 nan 0.000 0.441 134 E N 0.297 120.519 120.200 0.037 0.000 2.072 134 E HA -0.003 4.361 4.350 0.023 0.000 0.190 134 E C 2.203 178.826 176.600 0.038 0.000 0.982 134 E CA 0.718 57.139 56.400 0.034 0.000 0.803 134 E CB -0.210 29.509 29.700 0.032 0.000 0.755 134 E HN 0.446 nan 8.360 nan 0.000 0.453 135 M N 0.740 120.369 119.600 0.048 0.000 2.117 135 M HA -0.159 4.335 4.480 0.023 0.000 0.262 135 M C 2.211 178.540 176.300 0.049 0.000 1.065 135 M CA 1.218 56.551 55.300 0.055 0.000 1.114 135 M CB 0.085 32.732 32.600 0.079 0.000 1.361 135 M HN -0.022 nan 8.290 nan 0.000 0.408 136 V N 0.739 120.680 119.914 0.046 0.000 2.255 136 V HA -0.272 3.861 4.120 0.023 0.000 0.247 136 V C 2.448 178.563 176.094 0.035 0.000 1.051 136 V CA 1.978 64.303 62.300 0.040 0.000 1.018 136 V CB -0.790 31.056 31.823 0.038 0.000 0.641 136 V HN 0.498 nan 8.190 nan 0.000 0.445 137 E N -0.059 120.160 120.200 0.032 0.000 2.085 137 E HA -0.259 4.105 4.350 0.023 0.000 0.194 137 E C 2.307 178.922 176.600 0.025 0.000 0.994 137 E CA 1.409 57.825 56.400 0.027 0.000 0.801 137 E CB -0.217 29.497 29.700 0.024 0.000 0.743 137 E HN 0.524 nan 8.360 nan 0.000 0.453 138 K N 0.599 121.015 120.400 0.027 0.000 2.097 138 K HA -0.142 4.192 4.320 0.023 0.000 0.206 138 K C 2.184 178.799 176.600 0.025 0.000 1.049 138 K CA 1.051 57.353 56.287 0.025 0.000 0.933 138 K CB 0.057 32.573 32.500 0.026 0.000 0.717 138 K HN -0.016 nan 8.250 nan 0.000 0.442 139 R N 0.368 120.885 120.500 0.030 0.000 2.075 139 R HA -0.068 4.286 4.340 0.023 0.000 0.232 139 R C 2.464 178.779 176.300 0.024 0.000 1.126 139 R CA 1.210 57.327 56.100 0.028 0.000 0.963 139 R CB -0.334 29.986 30.300 0.033 0.000 0.858 139 R HN 0.192 nan 8.270 nan 0.000 0.435 140 L N 0.970 122.207 121.223 0.024 0.000 1.989 140 L HA -0.245 4.109 4.340 0.023 0.000 0.211 140 L C 2.451 179.331 176.870 0.017 0.000 1.071 140 L CA 1.521 56.373 54.840 0.021 0.000 0.749 140 L CB -0.538 41.535 42.059 0.023 0.000 0.890 140 L HN 0.294 nan 8.230 nan 0.000 0.431 141 Q N -0.693 119.117 119.800 0.017 0.000 2.376 141 Q HA -0.276 4.078 4.340 0.023 0.000 0.211 141 Q C 2.000 178.007 176.000 0.013 0.000 0.986 141 Q CA 1.173 56.984 55.803 0.014 0.000 0.886 141 Q CB -0.090 28.656 28.738 0.013 0.000 0.927 141 Q HN 0.397 nan 8.270 nan 0.000 0.457 142 Q N -0.206 119.602 119.800 0.014 0.000 2.402 142 Q HA 0.149 4.503 4.340 0.023 0.000 0.206 142 Q C 0.070 176.077 176.000 0.012 0.000 0.919 142 Q CA 0.347 56.158 55.803 0.012 0.000 0.923 142 Q CB 0.435 29.181 28.738 0.014 0.000 1.048 142 Q HN 0.308 nan 8.270 nan 0.000 0.515 143 L N 2.032 123.263 121.223 0.013 0.000 2.371 143 L HA 0.205 4.558 4.340 0.023 0.000 0.272 143 L C 0.252 177.128 176.870 0.010 0.000 1.124 143 L CA -0.691 54.156 54.840 0.011 0.000 0.816 143 L CB 0.615 42.681 42.059 0.013 0.000 1.129 143 L HN 0.097 nan 8.230 nan 0.000 0.448 144 Q N 0.834 120.639 119.800 0.008 0.000 2.288 144 Q HA 0.250 4.604 4.340 0.023 0.000 0.254 144 Q C -0.289 175.715 176.000 0.007 0.000 0.932 144 Q CA -0.603 55.204 55.803 0.007 0.000 0.902 144 Q CB 0.660 29.402 28.738 0.006 0.000 1.203 144 Q HN 0.538 nan 8.270 nan 0.000 0.415 145 S N 1.915 117.619 115.700 0.006 0.000 2.945 145 S HA 0.236 4.719 4.470 0.023 0.000 0.344 145 S C 0.282 174.885 174.600 0.005 0.000 1.066 145 S CA 0.416 58.620 58.200 0.006 0.000 1.721 145 S CB -1.584 61.618 63.200 0.005 0.000 1.330 145 S HN 0.889 nan 8.310 nan 0.000 0.623 146 D N 2.261 122.664 120.400 0.006 0.000 1.760 146 D HA -0.077 4.577 4.640 0.023 0.000 0.112 146 D C 0.958 177.262 176.300 0.006 0.000 1.456 146 D CA -0.043 53.961 54.000 0.005 0.000 0.564 146 D CB -0.925 39.878 40.800 0.005 0.000 3.258 146 D HN 0.521 nan 8.370 nan 0.000 0.191 147 E N 0.958 121.162 120.200 0.006 0.000 2.409 147 E HA 0.088 4.451 4.350 0.023 0.000 0.198 147 E C 2.226 178.831 176.600 0.009 0.000 1.024 147 E CA 1.091 57.496 56.400 0.007 0.000 0.861 147 E CB 0.250 29.954 29.700 0.007 0.000 0.788 147 E HN 0.628 nan 8.360 nan 0.000 0.521 148 L N 1.487 122.716 121.223 0.010 0.000 2.083 148 L HA -0.142 4.212 4.340 0.023 0.000 0.209 148 L C 1.891 178.769 176.870 0.013 0.000 1.083 148 L CA 1.373 56.221 54.840 0.012 0.000 0.752 148 L CB -0.106 41.960 42.059 0.012 0.000 0.899 148 L HN 0.011 nan 8.230 nan 0.000 0.433 149 S N -0.115 115.591 115.700 0.010 0.000 2.555 149 S HA 0.079 4.563 4.470 0.023 0.000 0.230 149 S C 1.511 176.116 174.600 0.009 0.000 0.978 149 S CA 0.656 58.862 58.200 0.010 0.000 0.934 149 S CB -0.087 63.117 63.200 0.007 0.000 0.766 149 S HN 0.583 nan 8.310 nan 0.000 0.533 150 A N 0.756 123.581 122.820 0.008 0.000 2.390 150 A HA 0.475 4.809 4.320 0.023 0.000 0.232 150 A C 0.590 178.177 177.584 0.006 0.000 1.233 150 A CA -0.315 51.725 52.037 0.006 0.000 0.907 150 A CB 0.121 19.123 19.000 0.004 0.000 0.967 150 A HN 0.243 nan 8.150 nan 0.000 0.512 151 V N 2.577 122.498 119.914 0.011 0.000 2.617 151 V HA 0.273 4.407 4.120 0.023 0.000 0.304 151 V C 0.854 176.953 176.094 0.008 0.000 1.040 151 V CA 1.130 63.437 62.300 0.012 0.000 1.149 151 V CB 0.351 32.185 31.823 0.019 0.000 0.914 151 V HN 0.657 nan 8.190 nan 0.000 0.487 152 T N 2.200 116.755 114.554 0.001 0.000 2.901 152 T HA 0.668 5.031 4.350 0.023 0.000 0.293 152 T C -0.517 174.174 174.700 -0.015 0.000 1.084 152 T CA -0.749 61.346 62.100 -0.008 0.000 1.008 152 T CB 1.806 70.664 68.868 -0.016 0.000 1.170 152 T HN 0.459 nan 8.240 nan 0.000 0.509 153 V N 0.893 120.791 119.914 -0.027 0.000 2.904 153 V HA 0.713 4.847 4.120 0.023 0.000 0.305 153 V C -0.005 176.058 176.094 -0.052 0.000 1.067 153 V CA -0.282 61.997 62.300 -0.035 0.000 1.044 153 V CB 1.683 33.479 31.823 -0.044 0.000 1.050 153 V HN 1.169 nan 8.190 nan 0.000 0.475 154 S N 4.119 119.788 115.700 -0.052 0.000 2.530 154 S HA 0.775 5.259 4.470 0.023 0.000 0.322 154 S C -0.073 174.472 174.600 -0.091 0.000 1.085 154 S CA 0.543 58.702 58.200 -0.069 0.000 1.096 154 S CB 0.184 63.357 63.200 -0.046 0.000 0.988 154 S HN 2.348 nan 8.310 nan 0.000 0.466 155 G N 4.134 112.838 108.800 -0.159 0.000 2.512 155 G HA2 -0.096 3.878 3.960 0.023 0.000 0.210 155 G HA3 -0.096 3.878 3.960 0.023 0.000 0.210 155 G C -0.938 173.772 174.900 -0.317 0.000 1.295 155 G CA -0.766 44.191 45.100 -0.239 0.000 0.934 155 G HN 0.871 nan 8.290 nan 0.000 0.554 156 H N -0.935 118.013 119.070 -0.203 0.000 2.482 156 H HA 0.526 5.085 4.556 0.005 0.000 0.344 156 H C -0.104 175.181 175.328 -0.072 0.000 1.151 156 H CA 0.070 55.971 56.048 -0.246 0.000 1.300 156 H CB 1.593 31.021 29.762 -0.557 0.000 1.494 156 H HN 0.398 nan 8.280 nan 0.000 0.542 157 V N 3.427 123.386 119.914 0.075 0.000 2.398 157 V HA -0.058 4.075 4.120 0.023 0.000 0.286 157 V C 1.169 177.358 176.094 0.158 0.000 1.026 157 V CA -0.429 61.923 62.300 0.086 0.000 0.868 157 V CB 0.859 32.688 31.823 0.009 0.000 0.982 157 V HN 0.818 nan 8.190 nan 0.000 0.443 158 Y N 5.269 125.623 120.300 0.089 0.000 1.967 158 Y HA -0.344 4.222 4.550 0.028 0.000 0.260 158 Y C 1.780 177.723 175.900 0.073 0.000 1.181 158 Y CA 2.682 60.849 58.100 0.113 0.000 1.097 158 Y CB 0.190 38.690 38.460 0.067 0.000 0.934 158 Y HN 0.724 nan 8.280 nan 0.000 0.492 159 N N 0.624 119.050 118.700 -0.456 0.000 2.535 159 N HA 0.029 4.783 4.740 0.023 0.000 0.294 159 N C -0.581 174.725 175.510 -0.338 0.000 1.408 159 N CA 0.456 53.024 53.050 -0.803 0.000 0.927 159 N CB -0.763 37.173 38.487 -0.920 0.000 1.276 159 N HN 0.464 nan 8.380 nan 0.000 0.505 160 N N 0.016 118.619 118.700 -0.163 0.000 2.693 160 N HA -0.283 4.471 4.740 0.023 0.000 0.249 160 N C -0.653 174.817 175.510 -0.067 0.000 1.119 160 N CA 0.743 53.750 53.050 -0.072 0.000 0.717 160 N CB -1.045 37.405 38.487 -0.061 0.000 1.071 160 N HN 0.707 nan 8.380 nan 0.000 0.555 161 Q N -0.013 119.746 119.800 -0.068 0.000 2.392 161 Q HA 0.192 4.545 4.340 0.023 0.000 0.262 161 Q C -0.553 175.436 176.000 -0.018 0.000 1.003 161 Q CA 0.109 55.889 55.803 -0.039 0.000 0.888 161 Q CB 0.491 29.216 28.738 -0.021 0.000 1.260 161 Q HN 0.407 nan 8.270 nan 0.000 0.435 162 S N 3.008 118.713 115.700 0.009 0.000 2.549 162 S HA 0.242 4.726 4.470 0.023 0.000 0.279 162 S C 0.050 174.687 174.600 0.062 0.000 1.321 162 S CA -0.404 57.813 58.200 0.029 0.000 1.054 162 S CB 0.337 63.562 63.200 0.041 0.000 0.899 162 S HN 0.448 nan 8.310 nan 0.000 0.497 163 I N 3.242 123.848 120.570 0.060 0.000 2.532 163 I HA 0.238 4.422 4.170 0.023 0.000 0.292 163 I C 0.476 176.719 176.117 0.210 0.000 1.014 163 I CA -0.326 61.053 61.300 0.131 0.000 1.340 163 I CB 0.719 38.754 38.000 0.059 0.000 1.422 163 I HN 0.451 nan 8.210 nan 0.000 0.528 164 N N 5.963 124.891 118.700 0.380 0.000 2.569 164 N HA 0.272 5.026 4.740 0.023 0.000 0.254 164 N C 0.403 175.965 175.510 0.088 0.000 1.004 164 N CA -0.356 52.766 53.050 0.120 0.000 0.904 164 N CB 1.240 39.705 38.487 -0.037 0.000 1.165 164 N HN 0.577 nan 8.380 nan 0.000 0.513 165 L N 2.694 123.955 121.223 0.065 0.000 2.551 165 L HA -0.088 4.266 4.340 0.023 0.000 0.230 165 L C 1.447 178.327 176.870 0.017 0.000 1.163 165 L CA 0.949 55.816 54.840 0.045 0.000 0.826 165 L CB -0.036 42.043 42.059 0.033 0.000 0.943 165 L HN 0.528 nan 8.230 nan 0.000 0.452 166 L N -1.694 119.522 121.223 -0.012 0.000 2.664 166 L HA 0.168 4.522 4.340 0.023 0.000 0.233 166 L C 0.482 177.320 176.870 -0.052 0.000 1.113 166 L CA -0.163 54.663 54.840 -0.024 0.000 0.896 166 L CB 0.188 42.232 42.059 -0.024 0.000 1.163 166 L HN 0.059 nan 8.230 nan 0.000 0.497 167 D N 0.776 121.115 120.400 -0.101 0.000 2.325 167 D HA 0.012 4.666 4.640 0.023 0.000 0.251 167 D C 0.931 177.199 176.300 -0.053 0.000 1.196 167 D CA 0.189 54.087 54.000 -0.170 0.000 0.866 167 D CB 2.318 42.799 40.800 -0.532 0.000 1.101 167 D HN -0.177 nan 8.370 nan 0.000 0.476 168 V N 5.272 125.170 119.914 -0.026 0.000 2.490 168 V HA -0.202 3.932 4.120 0.023 0.000 0.250 168 V C 2.123 178.245 176.094 0.047 0.000 1.061 168 V CA 1.533 63.840 62.300 0.013 0.000 1.064 168 V CB -0.195 31.632 31.823 0.007 0.000 0.670 168 V HN 0.595 nan 8.190 nan 0.000 0.461 169 L N -0.897 120.360 121.223 0.056 0.000 2.141 169 L HA -0.104 4.250 4.340 0.023 0.000 0.209 169 L C 2.561 179.556 176.870 0.207 0.000 1.094 169 L CA 1.305 56.212 54.840 0.112 0.000 0.763 169 L CB -0.859 41.269 42.059 0.114 0.000 0.908 169 L HN 0.369 nan 8.230 nan 0.000 0.437 170 H N -0.213 118.869 119.070 0.021 0.000 2.326 170 H HA -0.092 4.478 4.556 0.025 0.000 0.301 170 H C 2.294 177.633 175.328 0.019 0.000 1.081 170 H CA 1.142 57.203 56.048 0.022 0.000 1.334 170 H CB -0.107 29.667 29.762 0.020 0.000 1.385 170 H HN 0.078 nan 8.280 nan 0.000 0.504 171 I N 0.746 121.407 120.570 0.152 0.000 2.163 171 I HA -0.243 3.941 4.170 0.023 0.000 0.243 171 I C 2.352 178.506 176.117 0.061 0.000 1.085 171 I CA 1.233 62.583 61.300 0.083 0.000 1.347 171 I CB -0.741 37.294 38.000 0.058 0.000 1.044 171 I HN 0.226 nan 8.210 nan 0.000 0.408 172 R N 0.269 120.807 120.500 0.062 0.000 2.073 172 R HA -0.134 4.220 4.340 0.023 0.000 0.234 172 R C 2.367 178.693 176.300 0.044 0.000 1.134 172 R CA 1.151 57.281 56.100 0.049 0.000 0.952 172 R CB -0.358 29.971 30.300 0.049 0.000 0.850 172 R HN 0.312 nan 8.270 nan 0.000 0.433 173 L N 0.594 121.846 121.223 0.048 0.000 2.131 173 L HA -0.178 4.175 4.340 0.023 0.000 0.210 173 L C 2.296 179.177 176.870 0.019 0.000 1.092 173 L CA 1.038 55.897 54.840 0.031 0.000 0.759 173 L CB -0.361 41.711 42.059 0.022 0.000 0.903 173 L HN 0.222 nan 8.230 nan 0.000 0.435 174 L N -1.254 119.981 121.223 0.020 0.000 2.093 174 L HA -0.151 4.203 4.340 0.023 0.000 0.208 174 L C 2.522 179.400 176.870 0.013 0.000 1.085 174 L CA 0.727 55.574 54.840 0.011 0.000 0.755 174 L CB -0.533 41.535 42.059 0.014 0.000 0.904 174 L HN 0.075 nan 8.230 nan 0.000 0.435 175 V N 0.449 120.377 119.914 0.023 0.000 2.427 175 V HA -0.176 3.957 4.120 0.023 0.000 0.248 175 V C 2.622 178.729 176.094 0.022 0.000 1.051 175 V CA 1.895 64.209 62.300 0.024 0.000 1.048 175 V CB -0.990 30.851 31.823 0.030 0.000 0.666 175 V HN 0.560 nan 8.190 nan 0.000 0.456 176 G N 0.053 108.866 108.800 0.021 0.000 2.432 176 G HA2 -0.260 3.714 3.960 0.023 0.000 0.219 176 G HA3 -0.260 3.714 3.960 0.023 0.000 0.219 176 G C 1.829 176.731 174.900 0.003 0.000 1.135 176 G CA 1.270 46.380 45.100 0.016 0.000 0.767 176 G HN 0.654 nan 8.290 nan 0.000 0.550 177 S N -0.199 115.502 115.700 0.002 0.000 2.453 177 S HA -0.036 4.448 4.470 0.023 0.000 0.231 177 S C 2.125 176.715 174.600 -0.016 0.000 1.005 177 S CA 1.246 59.440 58.200 -0.009 0.000 0.949 177 S CB -0.166 63.028 63.200 -0.009 0.000 0.774 177 S HN 0.495 nan 8.310 nan 0.000 0.510 178 Q N 0.441 120.237 119.800 -0.006 0.000 2.123 178 Q HA 0.079 4.432 4.340 0.023 0.000 0.199 178 Q C 2.069 178.071 176.000 0.003 0.000 0.966 178 Q CA 1.358 57.161 55.803 0.000 0.000 0.845 178 Q CB -0.223 28.523 28.738 0.013 0.000 0.907 178 Q HN 0.520 nan 8.270 nan 0.000 0.439 179 I N 0.604 121.174 120.570 0.001 0.000 2.202 179 I HA -0.217 3.967 4.170 0.023 0.000 0.242 179 I C 2.363 178.413 176.117 -0.112 0.000 1.091 179 I CA 1.260 62.553 61.300 -0.012 0.000 1.368 179 I CB -1.496 36.503 38.000 -0.002 0.000 1.058 179 I HN 0.140 nan 8.210 nan 0.000 0.410 180 A N 1.390 124.152 122.820 -0.097 0.000 1.873 180 A HA -0.203 4.130 4.320 0.023 0.000 0.218 180 A C 2.596 180.111 177.584 -0.115 0.000 1.193 180 A CA 2.539 54.501 52.037 -0.125 0.000 0.629 180 A CB -0.949 18.009 19.000 -0.069 0.000 0.826 180 A HN 0.443 nan 8.150 nan 0.000 0.447 181 A N -0.593 122.186 122.820 -0.067 0.000 1.933 181 A HA -0.171 4.163 4.320 0.023 0.000 0.218 181 A C 1.908 179.473 177.584 -0.032 0.000 1.175 181 A CA 1.777 53.786 52.037 -0.047 0.000 0.628 181 A CB -0.507 18.474 19.000 -0.032 0.000 0.814 181 A HN 0.661 nan 8.150 nan 0.000 0.444 182 E N -0.745 119.443 120.200 -0.020 0.000 2.106 182 E HA -0.127 4.237 4.350 0.023 0.000 0.192 182 E C 2.061 178.665 176.600 0.008 0.000 0.984 182 E CA 1.248 57.687 56.400 0.066 0.000 0.806 182 E CB -0.236 29.584 29.700 0.200 0.000 0.750 182 E HN 0.665 nan 8.360 nan 0.000 0.458 183 M N 0.121 119.529 119.600 -0.321 0.000 2.086 183 M HA -0.178 4.316 4.480 0.023 0.000 0.261 183 M C 2.254 178.474 176.300 -0.133 0.000 1.067 183 M CA 1.569 56.574 55.300 -0.492 0.000 1.116 183 M CB -0.190 32.031 32.600 -0.630 0.000 1.348 183 M HN -0.004 nan 8.290 nan 0.000 0.407 184 R N -0.316 120.128 120.500 -0.094 0.000 2.092 184 R HA -0.101 4.252 4.340 0.023 0.000 0.231 184 R C 2.175 178.510 176.300 0.058 0.000 1.119 184 R CA 0.870 56.958 56.100 -0.021 0.000 0.970 184 R CB -0.314 29.963 30.300 -0.037 0.000 0.864 184 R HN 0.334 nan 8.270 nan 0.000 0.440 185 E N 0.872 121.111 120.200 0.064 0.000 2.051 185 E HA -0.114 4.250 4.350 0.023 0.000 0.192 185 E C 1.951 178.647 176.600 0.160 0.000 0.991 185 E CA 1.422 57.894 56.400 0.121 0.000 0.799 185 E CB -0.142 29.617 29.700 0.098 0.000 0.748 185 E HN 0.290 nan 8.360 nan 0.000 0.449 186 A N 0.743 123.659 122.820 0.161 0.000 1.902 186 A HA -0.147 4.187 4.320 0.023 0.000 0.217 186 A C 2.312 179.977 177.584 0.136 0.000 1.181 186 A CA 1.586 53.728 52.037 0.175 0.000 0.623 186 A CB -0.501 18.679 19.000 0.300 0.000 0.818 186 A HN 0.214 nan 8.150 nan 0.000 0.443 187 M N -2.272 117.402 119.600 0.123 0.000 2.149 187 M HA -0.157 4.336 4.480 0.023 0.000 0.261 187 M C 2.236 178.609 176.300 0.121 0.000 1.064 187 M CA 1.848 57.210 55.300 0.102 0.000 1.102 187 M CB -0.444 32.200 32.600 0.073 0.000 1.369 187 M HN 0.633 nan 8.290 nan 0.000 0.408 188 Y N 1.447 121.769 120.300 0.037 0.000 2.153 188 Y HA -0.134 4.433 4.550 0.029 0.000 0.289 188 Y C 2.173 178.096 175.900 0.038 0.000 1.127 188 Y CA 1.563 59.684 58.100 0.035 0.000 1.131 188 Y CB -0.422 38.052 38.460 0.023 0.000 0.995 188 Y HN 0.208 nan 8.280 nan 0.000 0.505 189 N N 0.219 118.892 118.700 -0.046 0.000 2.166 189 N HA -0.176 4.578 4.740 0.023 0.000 0.186 189 N C 1.658 177.105 175.510 -0.105 0.000 1.019 189 N CA 1.851 54.843 53.050 -0.097 0.000 0.856 189 N CB -0.307 38.198 38.487 0.030 0.000 0.993 189 N HN 0.594 nan 8.380 nan 0.000 0.426 190 Q N -0.622 119.152 119.800 -0.043 0.000 2.297 190 Q HA 0.229 4.583 4.340 0.023 0.000 0.203 190 Q C 1.376 177.359 176.000 -0.029 0.000 0.931 190 Q CA 0.476 56.267 55.803 -0.021 0.000 0.885 190 Q CB 0.603 29.354 28.738 0.023 0.000 0.991 190 Q HN 0.306 nan 8.270 nan 0.000 0.498 191 L N -1.840 119.365 121.223 -0.030 0.000 2.781 191 L HA 0.359 4.713 4.340 0.023 0.000 0.245 191 L C 0.957 177.806 176.870 -0.034 0.000 1.118 191 L CA 0.315 55.153 54.840 -0.004 0.000 0.918 191 L CB 0.783 42.874 42.059 0.053 0.000 1.246 191 L HN 0.299 nan 8.230 nan 0.000 0.526 192 G N 1.431 110.137 108.800 -0.156 0.000 2.143 192 G HA2 -0.266 3.708 3.960 0.023 0.000 0.248 192 G HA3 -0.266 3.708 3.960 0.023 0.000 0.248 192 G C 0.018 174.947 174.900 0.047 0.000 0.991 192 G CA 0.065 45.033 45.100 -0.220 0.000 0.689 192 G HN 0.209 nan 8.290 nan 0.000 0.522 193 L N 1.353 122.663 121.223 0.144 0.000 2.317 193 L HA 0.675 5.029 4.340 0.023 0.000 0.281 193 L C 1.075 178.115 176.870 0.283 0.000 1.024 193 L CA -0.388 54.590 54.840 0.229 0.000 0.810 193 L CB 1.850 44.031 42.059 0.204 0.000 1.240 193 L HN 0.334 nan 8.230 nan 0.000 0.427 194 T N -0.658 114.031 114.554 0.224 0.000 2.936 194 T HA 0.912 5.275 4.350 0.023 0.000 0.282 194 T C 0.031 174.771 174.700 0.066 0.000 1.003 194 T CA -0.438 61.728 62.100 0.110 0.000 1.005 194 T CB 2.197 71.079 68.868 0.024 0.000 1.097 194 T HN 0.845 nan 8.240 nan 0.000 0.532 195 G N -1.166 107.639 108.800 0.008 0.000 2.390 195 G HA2 0.488 4.462 3.960 0.023 0.000 0.294 195 G HA3 0.488 4.462 3.960 0.023 0.000 0.294 195 G C -1.325 173.550 174.900 -0.041 0.000 1.388 195 G CA -0.693 44.396 45.100 -0.017 0.000 0.804 195 G HN 0.997 nan 8.290 nan 0.000 0.505 196 C N -0.398 118.870 119.300 -0.053 0.000 2.401 196 C HA 1.014 5.488 4.460 0.023 0.000 0.356 196 C C 0.741 175.689 174.990 -0.070 0.000 1.192 196 C CA 0.424 59.422 59.018 -0.035 0.000 2.028 196 C CB 0.971 28.712 27.740 0.001 0.000 2.344 196 C HN 1.331 nan 8.230 nan 0.000 0.525 197 A N 0.439 123.239 122.820 -0.033 0.000 2.539 197 A HA 0.922 5.255 4.320 0.023 0.000 0.296 197 A C -0.617 176.980 177.584 0.022 0.000 1.073 197 A CA -0.187 51.819 52.037 -0.051 0.000 0.700 197 A CB 1.380 20.337 19.000 -0.071 0.000 1.296 197 A HN 1.333 nan 8.150 nan 0.000 0.405 198 G N -0.269 108.559 108.800 0.046 0.000 2.662 198 G HA2 0.589 4.562 3.960 0.023 0.000 0.302 198 G HA3 0.589 4.562 3.960 0.023 0.000 0.302 198 G C -1.508 173.434 174.900 0.071 0.000 1.389 198 G CA -0.430 44.717 45.100 0.078 0.000 0.998 198 G HN 0.982 nan 8.290 nan 0.000 0.502 199 V N 0.929 120.877 119.914 0.057 0.000 2.495 199 V HA 0.896 5.029 4.120 0.023 0.000 0.298 199 V C 0.367 176.488 176.094 0.044 0.000 1.031 199 V CA -0.000 62.330 62.300 0.050 0.000 0.871 199 V CB 0.855 32.697 31.823 0.032 0.000 0.988 199 V HN 1.331 nan 8.190 nan 0.000 0.432 200 A N 3.141 125.989 122.820 0.048 0.000 2.515 200 A HA 0.713 5.046 4.320 0.023 0.000 0.299 200 A C 0.519 178.125 177.584 0.037 0.000 1.179 200 A CA 0.245 52.302 52.037 0.033 0.000 0.656 200 A CB 1.146 20.157 19.000 0.019 0.000 1.306 200 A HN 1.058 nan 8.150 nan 0.000 0.459 201 S N -0.301 115.415 115.700 0.027 0.000 2.548 201 S HA 0.162 4.645 4.470 0.023 0.000 0.215 201 S C 0.380 174.989 174.600 0.014 0.000 0.976 201 S CA 0.550 58.765 58.200 0.025 0.000 0.908 201 S CB -0.816 62.399 63.200 0.026 0.000 0.781 201 S HN 1.055 nan 8.310 nan 0.000 0.519 202 N N -0.383 118.322 118.700 0.008 0.000 2.934 202 N HA 0.292 5.046 4.740 0.023 0.000 0.253 202 N C -0.352 175.147 175.510 -0.018 0.000 1.466 202 N CA -0.974 52.066 53.050 -0.016 0.000 0.858 202 N CB 0.892 39.361 38.487 -0.030 0.000 1.459 202 N HN -0.191 nan 8.380 nan 0.000 0.532 203 K N -0.008 120.331 120.400 -0.101 0.000 2.148 203 K HA 0.023 4.357 4.320 0.023 0.000 0.204 203 K C 1.817 178.391 176.600 -0.043 0.000 1.050 203 K CA 0.627 56.815 56.287 -0.165 0.000 0.942 203 K CB -0.180 31.900 32.500 -0.700 0.000 0.724 203 K HN 0.415 nan 8.250 nan 0.000 0.446 204 L N 0.951 122.128 121.223 -0.077 0.000 1.970 204 L HA -0.239 4.114 4.340 0.023 0.000 0.212 204 L C 2.087 178.933 176.870 -0.040 0.000 1.071 204 L CA 1.461 56.269 54.840 -0.053 0.000 0.751 204 L CB -0.194 41.831 42.059 -0.056 0.000 0.889 204 L HN 0.149 nan 8.230 nan 0.000 0.432 205 L N 0.119 121.321 121.223 -0.035 0.000 2.027 205 L HA -0.102 4.252 4.340 0.023 0.000 0.206 205 L C 2.886 179.740 176.870 -0.027 0.000 1.074 205 L CA 1.964 56.775 54.840 -0.049 0.000 0.745 205 L CB -1.610 40.427 42.059 -0.038 0.000 0.898 205 L HN 0.288 nan 8.230 nan 0.000 0.433 206 A N -0.715 122.128 122.820 0.039 0.000 1.940 206 A HA -0.281 4.053 4.320 0.023 0.000 0.219 206 A C 2.460 180.071 177.584 0.045 0.000 1.176 206 A CA 2.130 54.221 52.037 0.090 0.000 0.631 206 A CB -0.501 18.629 19.000 0.216 0.000 0.814 206 A HN 0.420 nan 8.150 nan 0.000 0.446 207 K N -0.457 119.907 120.400 -0.059 0.000 2.167 207 K HA 0.078 4.411 4.320 0.023 0.000 0.203 207 K C 1.800 178.293 176.600 -0.179 0.000 1.052 207 K CA 0.738 56.775 56.287 -0.417 0.000 0.956 207 K CB -0.233 31.962 32.500 -0.508 0.000 0.735 207 K HN 0.468 nan 8.250 nan 0.000 0.451 208 L N 0.453 121.610 121.223 -0.110 0.000 2.083 208 L HA -0.124 4.230 4.340 0.023 0.000 0.209 208 L C 2.283 179.097 176.870 -0.093 0.000 1.083 208 L CA 0.685 55.464 54.840 -0.102 0.000 0.752 208 L CB -0.148 41.840 42.059 -0.119 0.000 0.899 208 L HN 0.079 nan 8.230 nan 0.000 0.433 209 V N -0.950 118.914 119.914 -0.084 0.000 3.354 209 V HA -0.106 4.028 4.120 0.023 0.000 0.258 209 V C 2.454 178.573 176.094 0.042 0.000 1.159 209 V CA 1.205 63.462 62.300 -0.072 0.000 1.125 209 V CB 0.327 32.089 31.823 -0.102 0.000 0.774 209 V HN 0.603 nan 8.190 nan 0.000 0.464 210 S N 0.294 116.036 115.700 0.071 0.000 2.399 210 S HA -0.066 4.418 4.470 0.023 0.000 0.231 210 S C 1.805 176.463 174.600 0.097 0.000 1.022 210 S CA 1.374 59.645 58.200 0.118 0.000 0.983 210 S CB -0.619 62.726 63.200 0.241 0.000 0.803 210 S HN 0.620 nan 8.310 nan 0.000 0.480 211 G N 0.385 109.225 108.800 0.067 0.000 3.233 211 G HA2 0.300 4.274 3.960 0.023 0.000 0.227 211 G HA3 0.300 4.274 3.960 0.023 0.000 0.227 211 G C 1.013 175.919 174.900 0.009 0.000 1.175 211 G CA 0.217 45.343 45.100 0.043 0.000 0.781 211 G HN 0.428 nan 8.290 nan 0.000 0.542 212 V N -0.101 119.828 119.914 0.024 0.000 2.427 212 V HA 0.082 4.215 4.120 0.023 0.000 0.248 212 V C 0.527 176.402 176.094 -0.364 0.000 1.051 212 V CA 0.997 63.234 62.300 -0.105 0.000 1.048 212 V CB -0.485 31.372 31.823 0.056 0.000 0.666 212 V HN 0.289 nan 8.190 nan 0.000 0.456 213 F N 0.027 119.922 119.950 -0.092 0.000 2.366 213 F HA 0.464 4.993 4.527 0.003 0.000 0.366 213 F C 1.080 176.824 175.800 -0.093 0.000 1.096 213 F CA -0.615 57.282 58.000 -0.172 0.000 1.060 213 F CB 1.231 39.968 39.000 -0.438 0.000 1.282 213 F HN -0.270 nan 8.300 nan 0.000 0.450 214 K N 3.072 123.504 120.400 0.053 0.000 2.067 214 K HA 0.096 4.430 4.320 0.023 0.000 0.203 214 K C -0.806 175.795 176.600 0.002 0.000 1.048 214 K CA 1.006 57.316 56.287 0.038 0.000 0.954 214 K CB -0.876 31.669 32.500 0.075 0.000 0.737 214 K HN 0.337 nan 8.250 nan 0.000 0.444 215 P HA -0.059 nan 4.420 nan 0.000 0.206 215 P C 0.028 177.218 177.300 -0.184 0.000 1.212 215 P CA 1.259 64.159 63.100 -0.334 0.000 0.919 215 P CB 0.059 31.348 31.700 -0.686 0.000 0.755 216 N N -0.629 117.996 118.700 -0.125 0.000 2.726 216 N HA 0.163 4.917 4.740 0.023 0.000 0.253 216 N C -0.961 174.520 175.510 -0.047 0.000 1.530 216 N CA -0.298 52.698 53.050 -0.091 0.000 0.772 216 N CB 0.320 38.730 38.487 -0.129 0.000 1.220 216 N HN 0.034 nan 8.380 nan 0.000 0.508 217 Q N -0.062 119.740 119.800 0.003 0.000 2.687 217 Q HA 0.474 4.827 4.340 0.023 0.000 0.305 217 Q C -1.375 174.674 176.000 0.081 0.000 1.006 217 Q CA -0.943 54.896 55.803 0.059 0.000 0.763 217 Q CB 2.497 31.319 28.738 0.139 0.000 1.506 217 Q HN 0.560 nan 8.270 nan 0.000 0.459 218 Q N -0.550 119.326 119.800 0.127 0.000 2.416 218 Q HA 0.768 5.122 4.340 0.023 0.000 0.281 218 Q C -1.463 174.641 176.000 0.174 0.000 1.067 218 Q CA -0.820 55.050 55.803 0.112 0.000 0.809 218 Q CB 2.451 31.210 28.738 0.034 0.000 1.418 218 Q HN 0.460 nan 8.270 nan 0.000 0.411 219 T N 0.919 115.571 114.554 0.163 0.000 2.893 219 T HA 0.523 4.887 4.350 0.023 0.000 0.293 219 T C -1.414 173.367 174.700 0.136 0.000 1.027 219 T CA -0.695 61.529 62.100 0.205 0.000 0.988 219 T CB 1.931 70.993 68.868 0.322 0.000 1.043 219 T HN 0.514 nan 8.240 nan 0.000 0.461 220 V N 3.707 123.694 119.914 0.123 0.000 2.555 220 V HA 0.765 4.899 4.120 0.023 0.000 0.302 220 V C -1.201 174.950 176.094 0.094 0.000 1.038 220 V CA -1.018 61.328 62.300 0.075 0.000 0.887 220 V CB 1.517 33.359 31.823 0.032 0.000 0.991 220 V HN 0.768 nan 8.190 nan 0.000 0.434 221 L N 7.435 128.692 121.223 0.056 0.000 2.265 221 L HA 0.564 4.917 4.340 0.023 0.000 0.289 221 L C -0.499 176.383 176.870 0.020 0.000 1.033 221 L CA 0.163 55.032 54.840 0.049 0.000 0.814 221 L CB 0.974 43.016 42.059 -0.028 0.000 1.203 221 L HN 0.653 nan 8.230 nan 0.000 0.423 222 L N 7.076 128.303 121.223 0.006 0.000 2.418 222 L HA 0.342 4.696 4.340 0.023 0.000 0.265 222 L C -1.243 175.652 176.870 0.041 0.000 1.143 222 L CA -1.610 53.187 54.840 -0.072 0.000 0.809 222 L CB 0.502 42.402 42.059 -0.265 0.000 1.124 222 L HN 0.490 nan 8.230 nan 0.000 0.456 223 P HA -0.163 nan 4.420 nan 0.000 0.216 223 P C 0.750 178.119 177.300 0.116 0.000 1.150 223 P CA 1.062 64.226 63.100 0.107 0.000 0.837 223 P CB 0.233 32.007 31.700 0.122 0.000 0.786 224 E N -1.053 119.233 120.200 0.143 0.000 2.463 224 E HA -0.041 4.323 4.350 0.023 0.000 0.201 224 E C 1.232 177.914 176.600 0.137 0.000 1.045 224 E CA 0.857 57.336 56.400 0.131 0.000 0.872 224 E CB -0.676 29.106 29.700 0.136 0.000 0.797 224 E HN 0.168 nan 8.360 nan 0.000 0.538 225 S N -0.964 114.826 115.700 0.150 0.000 2.578 225 S HA 0.033 4.517 4.470 0.023 0.000 0.231 225 S C 1.427 176.156 174.600 0.214 0.000 0.994 225 S CA -0.340 57.995 58.200 0.224 0.000 0.956 225 S CB -0.024 63.358 63.200 0.302 0.000 0.870 225 S HN 0.520 nan 8.310 nan 0.000 0.494 226 C N 2.153 121.526 119.300 0.121 0.000 2.398 226 C HA -0.154 4.320 4.460 0.023 0.000 0.276 226 C C 2.616 177.638 174.990 0.053 0.000 1.222 226 C CA 1.342 60.393 59.018 0.054 0.000 1.746 226 C CB -0.807 26.960 27.740 0.044 0.000 2.039 226 C HN 0.461 nan 8.230 nan 0.000 0.470 227 Q N -0.307 119.555 119.800 0.103 0.000 2.119 227 Q HA -0.137 4.216 4.340 0.023 0.000 0.201 227 Q C 2.145 178.231 176.000 0.143 0.000 0.972 227 Q CA 1.647 57.496 55.803 0.078 0.000 0.847 227 Q CB -1.022 27.826 28.738 0.183 0.000 0.903 227 Q HN 0.828 nan 8.270 nan 0.000 0.433 228 H N 0.842 120.009 119.070 0.162 0.000 2.319 228 H HA -0.110 4.460 4.556 0.023 0.000 0.297 228 H C 2.030 177.478 175.328 0.201 0.000 1.097 228 H CA 1.395 57.574 56.048 0.218 0.000 1.285 228 H CB -0.183 29.734 29.762 0.259 0.000 1.368 228 H HN 0.199 nan 8.280 nan 0.000 0.495 229 L N -0.048 121.326 121.223 0.251 0.000 2.027 229 L HA -0.150 4.204 4.340 0.023 0.000 0.206 229 L C 2.726 179.550 176.870 -0.076 0.000 1.074 229 L CA 1.265 56.089 54.840 -0.027 0.000 0.745 229 L CB -0.330 41.506 42.059 -0.371 0.000 0.898 229 L HN 0.219 nan 8.230 nan 0.000 0.433 230 I N -0.712 119.779 120.570 -0.133 0.000 2.315 230 I HA -0.296 3.888 4.170 0.023 0.000 0.248 230 I C 2.311 178.273 176.117 -0.257 0.000 1.117 230 I CA 1.378 62.547 61.300 -0.219 0.000 1.404 230 I CB -0.298 37.521 38.000 -0.302 0.000 1.071 230 I HN 0.288 nan 8.210 nan 0.000 0.419 231 H N -0.526 118.497 119.070 -0.079 0.000 2.555 231 H HA 0.112 4.681 4.556 0.022 0.000 0.269 231 H C 2.408 177.666 175.328 -0.117 0.000 0.988 231 H CA 0.998 56.983 56.048 -0.106 0.000 1.178 231 H CB -0.208 29.486 29.762 -0.113 0.000 1.373 231 H HN 0.448 nan 8.280 nan 0.000 0.588 232 S N 0.170 115.862 115.700 -0.013 0.000 2.481 232 S HA -0.004 4.479 4.470 0.023 0.000 0.231 232 S C 1.110 175.705 174.600 -0.009 0.000 0.996 232 S CA -0.098 58.092 58.200 -0.017 0.000 0.942 232 S CB -0.438 62.797 63.200 0.058 0.000 0.768 232 S HN 0.144 nan 8.310 nan 0.000 0.520 233 L N 2.196 123.406 121.223 -0.023 0.000 2.483 233 L HA 0.179 4.532 4.340 0.023 0.000 0.275 233 L C 1.218 178.081 176.870 -0.011 0.000 1.220 233 L CA -0.379 54.447 54.840 -0.022 0.000 0.833 233 L CB 0.078 42.112 42.059 -0.042 0.000 1.102 233 L HN 0.209 nan 8.230 nan 0.000 0.490 234 N N -0.717 117.988 118.700 0.009 0.000 2.322 234 N HA 0.041 4.795 4.740 0.023 0.000 0.181 234 N C -0.084 175.456 175.510 0.050 0.000 1.088 234 N CA 0.437 53.498 53.050 0.019 0.000 0.885 234 N CB 0.490 38.994 38.487 0.029 0.000 1.013 234 N HN 0.502 nan 8.380 nan 0.000 0.472 235 H N -0.002 119.047 119.070 -0.035 0.000 3.012 235 H HA 0.193 4.762 4.556 0.022 0.000 0.367 235 H C 1.003 176.300 175.328 -0.052 0.000 1.211 235 H CA -0.489 55.533 56.048 -0.042 0.000 1.139 235 H CB 2.090 31.830 29.762 -0.038 0.000 1.838 235 H HN -0.141 nan 8.280 nan 0.000 0.550 236 I N -0.182 120.408 120.570 0.033 0.000 2.567 236 I HA -0.106 4.077 4.170 0.023 0.000 0.257 236 I C 1.988 178.166 176.117 0.101 0.000 1.184 236 I CA 0.870 62.192 61.300 0.038 0.000 1.451 236 I CB -0.142 37.830 38.000 -0.047 0.000 1.089 236 I HN 0.137 nan 8.210 nan 0.000 0.441 237 K N 1.911 122.424 120.400 0.189 0.000 2.360 237 K HA -0.172 4.162 4.320 0.023 0.000 0.201 237 K C 1.565 178.183 176.600 0.029 0.000 1.046 237 K CA 1.434 57.753 56.287 0.053 0.000 0.940 237 K CB -0.092 32.396 32.500 -0.020 0.000 0.748 237 K HN 0.607 nan 8.250 nan 0.000 0.465 238 E N -0.133 120.090 120.200 0.038 0.000 2.435 238 E HA 0.036 4.400 4.350 0.023 0.000 0.195 238 E C 0.146 176.738 176.600 -0.014 0.000 1.029 238 E CA -0.060 56.345 56.400 0.008 0.000 0.865 238 E CB 0.219 29.925 29.700 0.010 0.000 0.833 238 E HN 0.232 nan 8.360 nan 0.000 0.510 239 I N 3.194 123.754 120.570 -0.017 0.000 2.436 239 I HA 0.071 4.255 4.170 0.023 0.000 0.289 239 I C -2.237 173.865 176.117 -0.025 0.000 1.083 239 I CA -2.202 59.078 61.300 -0.035 0.000 1.372 239 I CB 0.504 38.476 38.000 -0.046 0.000 1.408 239 I HN -0.286 nan 8.210 nan 0.000 0.516 240 P HA 0.049 nan 4.420 nan 0.000 0.263 240 P C 0.807 178.096 177.300 -0.018 0.000 1.195 240 P CA 0.671 63.761 63.100 -0.017 0.000 0.762 240 P CB 0.680 32.369 31.700 -0.018 0.000 0.799 241 G N 3.178 111.972 108.800 -0.010 0.000 2.307 241 G HA2 -0.195 3.779 3.960 0.023 0.000 0.210 241 G HA3 -0.195 3.779 3.960 0.023 0.000 0.210 241 G C 0.074 174.967 174.900 -0.010 0.000 1.005 241 G CA -0.481 44.611 45.100 -0.012 0.000 0.634 241 G HN 0.485 nan 8.290 nan 0.000 0.496 242 I N 3.035 123.598 120.570 -0.012 0.000 2.308 242 I HA 0.513 4.697 4.170 0.023 0.000 0.293 242 I C 1.344 177.461 176.117 -0.001 0.000 1.078 242 I CA 0.126 61.419 61.300 -0.012 0.000 1.292 242 I CB 0.868 38.858 38.000 -0.017 0.000 1.423 242 I HN 0.241 nan 8.210 nan 0.000 0.493 243 G N 3.758 112.560 108.800 0.003 0.000 2.531 243 G HA2 0.051 4.024 3.960 0.023 0.000 0.281 243 G HA3 0.051 4.024 3.960 0.023 0.000 0.281 243 G C 0.312 175.234 174.900 0.037 0.000 1.382 243 G CA -0.236 44.882 45.100 0.031 0.000 1.045 243 G HN 0.589 nan 8.290 nan 0.000 0.533 244 Y N 0.514 120.794 120.300 -0.033 0.000 2.165 244 Y HA -0.100 4.463 4.550 0.022 0.000 0.286 244 Y C 3.016 178.894 175.900 -0.036 0.000 1.155 244 Y CA 3.378 61.454 58.100 -0.040 0.000 1.164 244 Y CB -0.303 38.133 38.460 -0.039 0.000 0.978 244 Y HN 0.480 nan 8.280 nan 0.000 0.513 245 K N -0.361 119.996 120.400 -0.072 0.000 2.021 245 K HA -0.049 4.285 4.320 0.023 0.000 0.205 245 K C 2.088 178.601 176.600 -0.144 0.000 1.047 245 K CA 1.776 57.977 56.287 -0.143 0.000 0.943 245 K CB -1.948 30.546 32.500 -0.010 0.000 0.725 245 K HN 0.577 nan 8.250 nan 0.000 0.439 246 T N -1.263 113.240 114.554 -0.085 0.000 2.803 246 T HA 0.014 4.378 4.350 0.023 0.000 0.269 246 T C 2.258 176.895 174.700 -0.106 0.000 1.052 246 T CA 1.594 63.646 62.100 -0.081 0.000 1.136 246 T CB -0.511 68.327 68.868 -0.051 0.000 0.864 246 T HN 0.505 nan 8.240 nan 0.000 0.467 247 A N 1.986 124.733 122.820 -0.123 0.000 1.902 247 A HA -0.057 4.277 4.320 0.023 0.000 0.217 247 A C 2.455 179.943 177.584 -0.159 0.000 1.181 247 A CA 1.382 53.351 52.037 -0.113 0.000 0.623 247 A CB -0.460 18.470 19.000 -0.117 0.000 0.818 247 A HN 0.309 nan 8.150 nan 0.000 0.443 248 K N -0.120 120.122 120.400 -0.264 0.000 2.057 248 K HA -0.074 4.260 4.320 0.023 0.000 0.206 248 K C 2.027 178.531 176.600 -0.161 0.000 1.050 248 K CA 1.344 57.480 56.287 -0.253 0.000 0.935 248 K CB -1.295 30.989 32.500 -0.360 0.000 0.715 248 K HN 0.629 nan 8.250 nan 0.000 0.439 249 C N 0.859 120.073 119.300 -0.143 0.000 2.425 249 C HA -0.031 4.443 4.460 0.023 0.000 0.277 249 C C 2.761 177.680 174.990 -0.119 0.000 1.280 249 C CA 0.298 59.252 59.018 -0.108 0.000 1.744 249 C CB -1.121 26.567 27.740 -0.086 0.000 1.989 249 C HN 0.340 nan 8.230 nan 0.000 0.491 250 L N 0.828 121.975 121.223 -0.127 0.000 2.046 250 L HA -0.177 4.176 4.340 0.023 0.000 0.208 250 L C 2.743 179.520 176.870 -0.155 0.000 1.077 250 L CA 1.596 56.337 54.840 -0.166 0.000 0.747 250 L CB -0.721 41.251 42.059 -0.145 0.000 0.896 250 L HN 0.426 nan 8.230 nan 0.000 0.432 251 E N 0.047 120.194 120.200 -0.090 0.000 2.097 251 E HA -0.277 4.086 4.350 0.023 0.000 0.196 251 E C 2.264 178.823 176.600 -0.069 0.000 1.000 251 E CA 1.309 57.675 56.400 -0.057 0.000 0.804 251 E CB -0.227 29.447 29.700 -0.043 0.000 0.740 251 E HN 0.544 nan 8.360 nan 0.000 0.454 252 A N 0.848 123.622 122.820 -0.078 0.000 1.969 252 A HA -0.120 4.214 4.320 0.023 0.000 0.218 252 A C 1.973 179.525 177.584 -0.053 0.000 1.169 252 A CA 0.927 52.930 52.037 -0.057 0.000 0.635 252 A CB -0.316 18.652 19.000 -0.053 0.000 0.810 252 A HN 0.102 nan 8.150 nan 0.000 0.445 253 L N -0.709 120.455 121.223 -0.098 0.000 2.650 253 L HA 0.214 4.568 4.340 0.023 0.000 0.235 253 L C 1.809 178.626 176.870 -0.089 0.000 1.149 253 L CA 1.006 55.781 54.840 -0.108 0.000 0.887 253 L CB -0.359 41.543 42.059 -0.262 0.000 1.021 253 L HN 0.554 nan 8.230 nan 0.000 0.441 254 G N -0.241 108.518 108.800 -0.069 0.000 2.234 254 G HA2 -0.312 3.662 3.960 0.023 0.000 0.260 254 G HA3 -0.312 3.662 3.960 0.023 0.000 0.260 254 G C 0.471 175.316 174.900 -0.092 0.000 0.987 254 G CA 0.093 45.167 45.100 -0.043 0.000 0.625 254 G HN 0.321 nan 8.290 nan 0.000 0.532 255 I N 1.900 122.352 120.570 -0.197 0.000 2.421 255 I HA 0.233 4.417 4.170 0.023 0.000 0.291 255 I C 0.970 176.978 176.117 -0.182 0.000 1.089 255 I CA -0.233 60.932 61.300 -0.225 0.000 1.354 255 I CB 0.583 38.351 38.000 -0.386 0.000 1.413 255 I HN 0.104 nan 8.210 nan 0.000 0.513 256 N N 2.944 121.520 118.700 -0.206 0.000 2.486 256 N HA 0.028 4.782 4.740 0.023 0.000 0.242 256 N C 0.530 175.709 175.510 -0.552 0.000 1.083 256 N CA 0.206 53.034 53.050 -0.370 0.000 0.844 256 N CB 0.386 38.753 38.487 -0.201 0.000 1.527 256 N HN 0.612 nan 8.380 nan 0.000 0.462 257 S N 0.096 115.618 115.700 -0.296 0.000 2.693 257 S HA 0.379 4.862 4.470 0.023 0.000 0.276 257 S C 1.563 176.050 174.600 -0.189 0.000 1.192 257 S CA -0.676 57.379 58.200 -0.241 0.000 0.994 257 S CB 1.565 64.685 63.200 -0.133 0.000 1.012 257 S HN -0.132 nan 8.310 nan 0.000 0.550 258 V N 1.182 121.019 119.914 -0.128 0.000 2.407 258 V HA -0.121 4.013 4.120 0.023 0.000 0.248 258 V C 2.854 178.887 176.094 -0.100 0.000 1.055 258 V CA 2.190 64.413 62.300 -0.128 0.000 1.049 258 V CB -1.064 30.682 31.823 -0.129 0.000 0.662 258 V HN 0.922 nan 8.190 nan 0.000 0.455 259 R N -0.067 120.434 120.500 0.002 0.000 2.115 259 R HA -0.153 4.201 4.340 0.023 0.000 0.230 259 R C 1.986 178.263 176.300 -0.039 0.000 1.111 259 R CA 1.571 57.679 56.100 0.014 0.000 0.976 259 R CB -0.228 30.060 30.300 -0.021 0.000 0.870 259 R HN 0.512 nan 8.270 nan 0.000 0.445 260 D N 0.695 121.064 120.400 -0.053 0.000 2.117 260 D HA -0.184 4.470 4.640 0.023 0.000 0.197 260 D C 1.773 178.072 176.300 -0.002 0.000 0.987 260 D CA 0.847 54.836 54.000 -0.019 0.000 0.829 260 D CB -0.154 40.610 40.800 -0.060 0.000 0.961 260 D HN 0.175 nan 8.370 nan 0.000 0.460 261 L N 0.984 122.158 121.223 -0.081 0.000 2.093 261 L HA -0.129 4.224 4.340 0.023 0.000 0.208 261 L C 2.061 178.898 176.870 -0.055 0.000 1.085 261 L CA 1.612 56.405 54.840 -0.079 0.000 0.755 261 L CB -0.533 41.446 42.059 -0.133 0.000 0.904 261 L HN -0.022 nan 8.230 nan 0.000 0.435 262 Q N -1.148 118.539 119.800 -0.189 0.000 2.119 262 Q HA -0.126 4.228 4.340 0.023 0.000 0.201 262 Q C 1.691 177.710 176.000 0.032 0.000 0.972 262 Q CA 1.963 57.538 55.803 -0.381 0.000 0.847 262 Q CB -0.181 28.100 28.738 -0.761 0.000 0.903 262 Q HN 0.697 nan 8.270 nan 0.000 0.433 263 T N -2.159 112.432 114.554 0.062 0.000 3.129 263 T HA 0.079 4.442 4.350 0.023 0.000 0.251 263 T C 0.287 175.074 174.700 0.147 0.000 1.117 263 T CA -0.354 61.818 62.100 0.119 0.000 1.034 263 T CB -0.164 68.750 68.868 0.077 0.000 0.968 263 T HN 0.001 nan 8.240 nan 0.000 0.526 264 F N 3.202 123.161 119.950 0.015 0.000 2.444 264 F HA 0.443 4.984 4.527 0.023 0.000 0.331 264 F C 0.902 176.719 175.800 0.029 0.000 1.167 264 F CA -0.958 57.049 58.000 0.011 0.000 1.262 264 F CB 0.945 39.942 39.000 -0.005 0.000 1.196 264 F HN 0.090 nan 8.300 nan 0.000 0.583 265 S N 5.761 121.069 115.700 -0.654 0.000 2.555 265 S HA 0.110 4.594 4.470 0.023 0.000 0.293 265 S C -1.674 172.880 174.600 -0.076 0.000 1.248 265 S CA -1.015 56.975 58.200 -0.350 0.000 1.096 265 S CB 0.497 63.428 63.200 -0.448 0.000 0.881 265 S HN 0.475 nan 8.310 nan 0.000 0.498 266 P HA -0.117 nan 4.420 nan 0.000 0.217 266 P C 1.191 178.521 177.300 0.049 0.000 1.148 266 P CA 1.066 64.204 63.100 0.064 0.000 0.828 266 P CB 0.146 31.873 31.700 0.045 0.000 0.783 267 K N -0.498 119.903 120.400 0.000 0.000 2.031 267 K HA 0.024 4.357 4.320 0.023 0.000 0.205 267 K C 2.107 178.724 176.600 0.028 0.000 1.049 267 K CA 1.113 57.402 56.287 0.003 0.000 0.939 267 K CB -1.024 31.462 32.500 -0.023 0.000 0.717 267 K HN 0.257 nan 8.250 nan 0.000 0.438 268 I N 0.820 121.402 120.570 0.020 0.000 2.315 268 I HA -0.228 3.956 4.170 0.023 0.000 0.248 268 I C 2.334 178.559 176.117 0.180 0.000 1.117 268 I CA 0.749 62.102 61.300 0.088 0.000 1.404 268 I CB -0.297 37.746 38.000 0.070 0.000 1.071 268 I HN 0.003 nan 8.210 nan 0.000 0.419 269 L N 0.937 122.308 121.223 0.246 0.000 2.109 269 L HA -0.128 4.226 4.340 0.023 0.000 0.207 269 L C 2.393 179.326 176.870 0.105 0.000 1.086 269 L CA 1.664 56.628 54.840 0.206 0.000 0.760 269 L CB -0.479 41.728 42.059 0.246 0.000 0.910 269 L HN 0.132 nan 8.230 nan 0.000 0.437 270 E N -0.084 120.168 120.200 0.087 0.000 2.038 270 E HA -0.265 4.099 4.350 0.023 0.000 0.195 270 E C 1.826 178.451 176.600 0.042 0.000 1.000 270 E CA 1.908 58.339 56.400 0.052 0.000 0.803 270 E CB -0.093 29.631 29.700 0.039 0.000 0.750 270 E HN 0.449 nan 8.360 nan 0.000 0.448 271 K N 0.658 121.085 120.400 0.046 0.000 2.591 271 K HA -0.003 4.330 4.320 0.023 0.000 0.197 271 K C 1.185 177.807 176.600 0.037 0.000 1.026 271 K CA 1.230 57.538 56.287 0.035 0.000 1.127 271 K CB -0.023 32.495 32.500 0.030 0.000 0.871 271 K HN 0.188 nan 8.250 nan 0.000 0.507 272 E N -1.644 118.580 120.200 0.041 0.000 2.617 272 E HA 0.313 4.677 4.350 0.023 0.000 0.208 272 E C 1.018 177.628 176.600 0.017 0.000 0.888 272 E CA 0.096 56.516 56.400 0.034 0.000 1.485 272 E CB 0.600 30.334 29.700 0.057 0.000 1.482 272 E HN 0.313 nan 8.360 nan 0.000 0.813 273 L N -0.370 120.863 121.223 0.017 0.000 3.039 273 L HA 0.524 4.878 4.340 0.023 0.000 0.269 273 L C 0.469 177.344 176.870 0.008 0.000 1.169 273 L CA 0.075 54.918 54.840 0.004 0.000 0.986 273 L CB 1.399 43.457 42.059 -0.001 0.000 1.377 273 L HN 0.220 nan 8.230 nan 0.000 0.575 274 G N 0.605 109.414 108.800 0.015 0.000 2.719 274 G HA2 -0.231 3.742 3.960 0.023 0.000 0.686 274 G HA3 -0.231 3.742 3.960 0.023 0.000 0.686 274 G C 0.245 175.154 174.900 0.016 0.000 1.201 274 G CA -0.168 44.940 45.100 0.014 0.000 0.768 274 G HN 0.054 nan 8.290 nan 0.000 0.629 275 I N 0.779 121.358 120.570 0.015 0.000 2.315 275 I HA -0.183 4.001 4.170 0.023 0.000 0.251 275 I C 2.639 178.765 176.117 0.014 0.000 1.125 275 I CA 2.837 64.147 61.300 0.016 0.000 1.392 275 I CB -0.020 37.987 38.000 0.012 0.000 1.065 275 I HN 0.746 nan 8.210 nan 0.000 0.424 276 S N -0.645 115.061 115.700 0.010 0.000 2.325 276 S HA -0.125 4.359 4.470 0.023 0.000 0.214 276 S C 2.030 176.634 174.600 0.007 0.000 1.031 276 S CA 1.471 59.675 58.200 0.007 0.000 0.972 276 S CB -0.415 62.787 63.200 0.004 0.000 0.908 276 S HN 0.295 nan 8.310 nan 0.000 0.453 277 V N 2.456 122.373 119.914 0.006 0.000 2.324 277 V HA -0.215 3.919 4.120 0.023 0.000 0.250 277 V C 2.821 178.920 176.094 0.009 0.000 1.060 277 V CA 2.069 64.371 62.300 0.003 0.000 1.042 277 V CB -1.335 30.487 31.823 -0.001 0.000 0.650 277 V HN 0.628 nan 8.190 nan 0.000 0.450 278 A N -1.002 121.828 122.820 0.017 0.000 1.872 278 A HA -0.224 4.110 4.320 0.023 0.000 0.214 278 A C 2.252 179.861 177.584 0.041 0.000 1.187 278 A CA 1.643 53.699 52.037 0.031 0.000 0.614 278 A CB -0.464 18.563 19.000 0.046 0.000 0.826 278 A HN 0.565 nan 8.150 nan 0.000 0.442 279 Q N -0.663 119.158 119.800 0.035 0.000 2.378 279 Q HA -0.061 4.293 4.340 0.023 0.000 0.205 279 Q C 2.096 178.118 176.000 0.037 0.000 0.954 279 Q CA 0.890 56.717 55.803 0.041 0.000 0.901 279 Q CB -0.024 28.731 28.738 0.029 0.000 0.981 279 Q HN 0.677 nan 8.270 nan 0.000 0.483 280 R N 0.721 121.236 120.500 0.024 0.000 2.062 280 R HA -0.062 4.292 4.340 0.023 0.000 0.226 280 R C 2.397 178.711 176.300 0.023 0.000 1.125 280 R CA 1.469 57.579 56.100 0.017 0.000 0.966 280 R CB -0.290 30.012 30.300 0.004 0.000 0.861 280 R HN 0.461 nan 8.270 nan 0.000 0.433 281 I N -1.370 119.211 120.570 0.018 0.000 2.928 281 I HA -0.042 4.142 4.170 0.023 0.000 0.266 281 I C 2.200 178.331 176.117 0.023 0.000 1.234 281 I CA 0.953 62.257 61.300 0.006 0.000 1.483 281 I CB -0.279 37.714 38.000 -0.011 0.000 1.097 281 I HN 0.247 nan 8.210 nan 0.000 0.455 282 Q N 1.609 121.445 119.800 0.060 0.000 2.083 282 Q HA -0.136 4.218 4.340 0.023 0.000 0.198 282 Q C 2.051 178.176 176.000 0.209 0.000 0.969 282 Q CA 1.136 57.009 55.803 0.117 0.000 0.838 282 Q CB 0.157 28.993 28.738 0.162 0.000 0.900 282 Q HN 0.340 nan 8.270 nan 0.000 0.436 283 K N 0.549 121.051 120.400 0.171 0.000 2.063 283 K HA -0.143 4.190 4.320 0.023 0.000 0.208 283 K C 2.075 178.771 176.600 0.160 0.000 1.048 283 K CA 1.043 57.447 56.287 0.194 0.000 0.928 283 K CB -0.500 32.050 32.500 0.084 0.000 0.713 283 K HN 0.331 nan 8.250 nan 0.000 0.442 284 L N 1.543 122.806 121.223 0.066 0.000 2.083 284 L HA -0.181 4.172 4.340 0.023 0.000 0.209 284 L C 2.527 179.378 176.870 -0.031 0.000 1.083 284 L CA 1.564 56.411 54.840 0.011 0.000 0.752 284 L CB -0.675 41.374 42.059 -0.018 0.000 0.899 284 L HN 0.238 nan 8.230 nan 0.000 0.433 285 S N -0.623 115.036 115.700 -0.069 0.000 2.474 285 S HA -0.121 4.362 4.470 0.023 0.000 0.235 285 S C 1.524 175.892 174.600 -0.386 0.000 0.997 285 S CA 0.797 58.862 58.200 -0.225 0.000 0.949 285 S CB -0.533 62.507 63.200 -0.267 0.000 0.766 285 S HN 0.368 nan 8.310 nan 0.000 0.517 286 F N 1.698 121.610 119.950 -0.062 0.000 2.765 286 F HA 0.411 4.952 4.527 0.023 0.000 0.302 286 F C 1.928 177.684 175.800 -0.074 0.000 1.111 286 F CA 0.182 58.142 58.000 -0.066 0.000 1.359 286 F CB 0.114 39.095 39.000 -0.030 0.000 1.097 286 F HN 0.401 nan 8.300 nan 0.000 0.577 287 G N 0.722 109.551 108.800 0.048 0.000 2.141 287 G HA2 -0.264 3.710 3.960 0.023 0.000 0.242 287 G HA3 -0.264 3.710 3.960 0.023 0.000 0.242 287 G C -0.054 174.866 174.900 0.034 0.000 0.982 287 G CA -0.376 44.731 45.100 0.010 0.000 0.662 287 G HN 0.380 nan 8.290 nan 0.000 0.527 288 E N 0.273 120.513 120.200 0.066 0.000 2.166 288 E HA 0.560 4.924 4.350 0.023 0.000 0.275 288 E C -1.008 175.603 176.600 0.017 0.000 0.941 288 E CA -0.593 55.833 56.400 0.044 0.000 0.784 288 E CB 1.551 31.286 29.700 0.058 0.000 1.115 288 E HN 0.203 nan 8.360 nan 0.000 0.399 289 D N 2.418 122.814 120.400 -0.006 0.000 2.369 289 D HA 0.034 4.688 4.640 0.023 0.000 0.212 289 D C -0.704 175.573 176.300 -0.039 0.000 1.326 289 D CA -0.500 53.483 54.000 -0.028 0.000 0.933 289 D CB 0.322 41.094 40.800 -0.046 0.000 1.516 289 D HN 0.385 nan 8.370 nan 0.000 0.557 290 N N 1.385 120.064 118.700 -0.036 0.000 2.236 290 N HA 0.047 4.801 4.740 0.023 0.000 0.196 290 N C -0.299 175.183 175.510 -0.048 0.000 1.114 290 N CA -0.225 52.804 53.050 -0.035 0.000 0.859 290 N CB 0.198 38.671 38.487 -0.024 0.000 0.982 290 N HN 0.228 nan 8.380 nan 0.000 0.493 291 S N 1.142 116.802 115.700 -0.067 0.000 2.533 291 S HA 0.295 4.778 4.470 0.023 0.000 0.282 291 S C -2.146 172.396 174.600 -0.097 0.000 1.304 291 S CA -1.070 57.083 58.200 -0.079 0.000 1.063 291 S CB 0.586 63.729 63.200 -0.095 0.000 0.881 291 S HN 0.218 nan 8.310 nan 0.000 0.493 292 P HA 0.221 nan 4.420 nan 0.000 0.276 292 P C -0.584 176.664 177.300 -0.086 0.000 1.244 292 P CA -0.666 62.397 63.100 -0.062 0.000 0.801 292 P CB 0.620 32.300 31.700 -0.034 0.000 1.006 293 V N 3.284 123.160 119.914 -0.064 0.000 2.470 293 V HA 0.058 4.192 4.120 0.023 0.000 0.276 293 V C 0.858 176.946 176.094 -0.010 0.000 1.040 293 V CA -0.061 62.209 62.300 -0.051 0.000 1.008 293 V CB -0.010 31.821 31.823 0.014 0.000 0.990 293 V HN 0.360 nan 8.190 nan 0.000 0.477 294 I N 5.311 125.878 120.570 -0.005 0.000 2.385 294 I HA 0.266 4.449 4.170 0.023 0.000 0.294 294 I C 0.238 176.380 176.117 0.040 0.000 0.988 294 I CA -0.504 60.804 61.300 0.014 0.000 1.265 294 I CB 1.570 39.574 38.000 0.007 0.000 1.388 294 I HN 0.505 nan 8.210 nan 0.000 0.480 295 L N 5.759 127.007 121.223 0.041 0.000 2.597 295 L HA 0.013 4.367 4.340 0.023 0.000 0.271 295 L C 1.276 178.181 176.870 0.057 0.000 1.157 295 L CA 0.326 55.197 54.840 0.052 0.000 0.928 295 L CB 0.782 42.867 42.059 0.044 0.000 1.216 295 L HN 0.713 nan 8.230 nan 0.000 0.481 296 S N 3.573 119.317 115.700 0.074 0.000 2.362 296 S HA 0.070 4.554 4.470 0.023 0.000 0.221 296 S C 1.160 175.810 174.600 0.083 0.000 1.032 296 S CA 0.600 58.849 58.200 0.082 0.000 0.973 296 S CB -0.238 63.023 63.200 0.103 0.000 0.849 296 S HN 1.125 nan 8.310 nan 0.000 0.465 297 G N 1.918 110.773 108.800 0.091 0.000 2.582 297 G HA2 -0.255 3.719 3.960 0.023 0.000 0.288 297 G HA3 -0.255 3.719 3.960 0.023 0.000 0.288 297 G C -2.775 172.179 174.900 0.089 0.000 1.247 297 G CA -0.240 44.907 45.100 0.079 0.000 0.972 297 G HN 0.414 nan 8.290 nan 0.000 0.557 298 P HA 0.439 nan 4.420 nan 0.000 0.276 298 P C -2.273 175.019 177.300 -0.013 0.000 1.244 298 P CA -1.068 62.020 63.100 -0.020 0.000 0.801 298 P CB 0.354 32.043 31.700 -0.020 0.000 1.006 299 P HA 0.035 nan 4.420 nan 0.000 0.266 299 P C 0.524 177.717 177.300 -0.178 0.000 1.195 299 P CA 0.164 63.182 63.100 -0.136 0.000 0.768 299 P CB 0.345 31.790 31.700 -0.425 0.000 0.838 300 Q N 0.262 119.994 119.800 -0.113 0.000 2.472 300 Q HA 0.062 4.416 4.340 0.023 0.000 0.208 300 Q C 0.493 176.427 176.000 -0.108 0.000 0.958 300 Q CA 0.670 56.427 55.803 -0.078 0.000 0.932 300 Q CB -0.221 28.502 28.738 -0.024 0.000 1.007 300 Q HN 0.631 nan 8.270 nan 0.000 0.508 301 S N -1.076 114.467 115.700 -0.262 0.000 2.636 301 S HA 0.713 5.197 4.470 0.023 0.000 0.268 301 S C -1.253 173.037 174.600 -0.517 0.000 1.159 301 S CA -0.994 57.085 58.200 -0.203 0.000 0.815 301 S CB 0.827 64.020 63.200 -0.013 0.000 1.130 301 S HN 0.044 nan 8.310 nan 0.000 0.471 302 F N 1.450 121.514 119.950 0.190 0.000 2.653 302 F HA 0.693 5.233 4.527 0.023 0.000 0.327 302 F C 0.180 176.121 175.800 0.235 0.000 1.195 302 F CA -0.183 57.932 58.000 0.192 0.000 0.993 302 F CB 2.324 41.413 39.000 0.149 0.000 1.259 302 F HN 0.954 nan 8.300 nan 0.000 0.478 303 S N 2.279 118.170 115.700 0.318 0.000 2.627 303 S HA 0.810 5.294 4.470 0.023 0.000 0.283 303 S C -1.395 173.334 174.600 0.215 0.000 1.127 303 S CA -0.767 57.587 58.200 0.257 0.000 0.863 303 S CB 2.923 66.221 63.200 0.163 0.000 1.121 303 S HN 0.499 nan 8.310 nan 0.000 0.479 304 E N 0.372 120.674 120.200 0.171 0.000 2.343 304 E HA 0.498 4.862 4.350 0.023 0.000 0.270 304 E C -1.333 175.314 176.600 0.079 0.000 0.895 304 E CA -0.553 55.924 56.400 0.128 0.000 0.767 304 E CB 2.545 32.324 29.700 0.130 0.000 1.248 304 E HN 0.771 nan 8.360 nan 0.000 0.440 305 E N 0.703 120.936 120.200 0.054 0.000 2.266 305 E HA 0.278 4.641 4.350 0.023 0.000 0.268 305 E C -1.593 175.007 176.600 0.000 0.000 0.879 305 E CA -0.641 55.767 56.400 0.013 0.000 0.762 305 E CB 1.738 31.434 29.700 -0.006 0.000 1.199 305 E HN 0.158 nan 8.360 nan 0.000 0.422 306 D N 0.903 121.284 120.400 -0.032 0.000 2.233 306 D HA 0.273 4.927 4.640 0.023 0.000 0.240 306 D C -0.979 175.098 176.300 -0.370 0.000 1.074 306 D CA -0.046 53.909 54.000 -0.075 0.000 0.838 306 D CB 1.669 42.557 40.800 0.147 0.000 1.124 306 D HN 0.125 nan 8.370 nan 0.000 0.475 307 S N 1.884 117.436 115.700 -0.246 0.000 2.586 307 S HA 0.721 5.205 4.470 0.023 0.000 0.274 307 S C -1.010 173.484 174.600 -0.176 0.000 1.281 307 S CA -0.400 57.608 58.200 -0.320 0.000 1.035 307 S CB 0.127 63.254 63.200 -0.122 0.000 0.962 307 S HN 0.345 nan 8.310 nan 0.000 0.512 308 F N 1.030 120.989 119.950 0.015 0.000 2.871 308 F HA 0.351 4.891 4.527 0.023 0.000 0.322 308 F C -1.228 174.580 175.800 0.014 0.000 1.029 308 F CA -1.336 56.672 58.000 0.013 0.000 1.197 308 F CB -0.299 38.709 39.000 0.014 0.000 1.478 308 F HN 0.181 nan 8.300 nan 0.000 0.709 309 K N 2.702 123.216 120.400 0.191 0.000 2.201 309 K HA 0.724 5.057 4.320 0.023 0.000 0.278 309 K C 0.758 177.439 176.600 0.135 0.000 1.027 309 K CA 0.233 56.600 56.287 0.134 0.000 0.909 309 K CB 1.339 33.877 32.500 0.062 0.000 1.062 309 K HN 1.283 nan 8.250 nan 0.000 0.465 310 K N 0.036 120.511 120.400 0.125 0.000 3.300 310 K HA -0.235 4.099 4.320 0.023 0.000 0.378 310 K C 1.717 178.360 176.600 0.072 0.000 0.579 310 K CA 1.661 57.999 56.287 0.085 0.000 1.666 310 K CB -2.658 29.872 32.500 0.051 0.000 1.092 310 K HN 0.737 nan 8.250 nan 0.000 0.451 311 C N 1.519 120.868 119.300 0.081 0.000 2.413 311 C HA 0.166 4.639 4.460 0.023 0.000 0.277 311 C C 1.991 176.828 174.990 -0.256 0.000 1.265 311 C CA 1.025 59.990 59.018 -0.089 0.000 1.752 311 C CB -0.389 27.224 27.740 -0.212 0.000 1.998 311 C HN 0.826 nan 8.230 nan 0.000 0.489 312 S N 0.931 116.532 115.700 -0.166 0.000 2.414 312 S HA 0.178 4.661 4.470 0.023 0.000 0.290 312 S C 1.356 175.955 174.600 -0.002 0.000 1.160 312 S CA 0.275 58.389 58.200 -0.143 0.000 1.069 312 S CB 0.540 63.817 63.200 0.129 0.000 1.012 312 S HN 0.698 nan 8.310 nan 0.000 0.510 313 S N 4.864 120.540 115.700 -0.042 0.000 2.392 313 S HA -0.123 4.361 4.470 0.023 0.000 0.225 313 S C 0.757 175.389 174.600 0.053 0.000 1.041 313 S CA 1.360 59.562 58.200 0.004 0.000 1.100 313 S CB -0.420 62.774 63.200 -0.009 0.000 1.029 313 S HN 0.749 nan 8.310 nan 0.000 0.424 314 E N -2.240 118.013 120.200 0.088 0.000 0.797 314 E HA 0.532 4.896 4.350 0.023 0.000 0.147 314 E C 1.055 177.813 176.600 0.263 0.000 2.388 314 E CA 0.299 56.793 56.400 0.157 0.000 1.405 314 E CB -0.533 29.210 29.700 0.071 0.000 0.888 314 E HN 0.450 nan 8.360 nan 0.000 0.846 315 V N 0.799 120.880 119.914 0.278 0.000 2.313 315 V HA -0.393 3.741 4.120 0.023 0.000 0.261 315 V C 1.959 178.144 176.094 0.152 0.000 1.096 315 V CA 4.507 67.016 62.300 0.348 0.000 1.090 315 V CB -1.977 29.968 31.823 0.203 0.000 0.683 315 V HN 0.634 nan 8.190 nan 0.000 0.452 316 E N -0.122 120.121 120.200 0.071 0.000 2.265 316 E HA 0.258 4.622 4.350 0.023 0.000 0.196 316 E C 1.867 178.437 176.600 -0.051 0.000 0.996 316 E CA 1.312 57.714 56.400 0.003 0.000 0.832 316 E CB -0.677 29.017 29.700 -0.010 0.000 0.756 316 E HN 1.891 nan 8.360 nan 0.000 0.491 317 A N 0.597 123.386 122.820 -0.052 0.000 2.840 317 A HA 0.326 4.660 4.320 0.023 0.000 0.269 317 A C 1.626 179.083 177.584 -0.212 0.000 1.439 317 A CA 0.576 52.540 52.037 -0.123 0.000 1.083 317 A CB -0.488 18.421 19.000 -0.153 0.000 1.019 317 A HN 0.341 nan 8.150 nan 0.000 0.607 318 K N 0.047 120.275 120.400 -0.287 0.000 2.366 318 K HA -0.112 4.222 4.320 0.023 0.000 0.198 318 K C 0.823 177.317 176.600 -0.176 0.000 1.044 318 K CA 1.055 57.132 56.287 -0.350 0.000 0.973 318 K CB -0.111 32.190 32.500 -0.331 0.000 0.767 318 K HN 0.435 nan 8.250 nan 0.000 0.475 319 N N 1.937 120.567 118.700 -0.118 0.000 2.061 319 N HA -0.178 4.576 4.740 0.023 0.000 0.193 319 N C 1.341 176.822 175.510 -0.049 0.000 1.030 319 N CA 1.141 54.148 53.050 -0.071 0.000 0.856 319 N CB -0.181 38.268 38.487 -0.063 0.000 1.023 319 N HN 0.156 nan 8.380 nan 0.000 0.424 320 K N 0.708 121.079 120.400 -0.049 0.000 2.127 320 K HA -0.146 4.188 4.320 0.023 0.000 0.212 320 K C 1.929 178.531 176.600 0.003 0.000 1.050 320 K CA 1.023 57.315 56.287 0.008 0.000 0.929 320 K CB -0.547 31.980 32.500 0.045 0.000 0.715 320 K HN 0.357 nan 8.250 nan 0.000 0.457 321 I N 0.835 121.371 120.570 -0.056 0.000 3.111 321 I HA -0.150 4.033 4.170 0.023 0.000 0.272 321 I C 1.863 177.964 176.117 -0.027 0.000 1.268 321 I CA 0.653 61.916 61.300 -0.062 0.000 1.467 321 I CB -0.039 37.869 38.000 -0.155 0.000 1.087 321 I HN 0.213 nan 8.210 nan 0.000 0.467 322 E N 0.705 120.890 120.200 -0.024 0.000 2.140 322 E HA -0.122 4.242 4.350 0.023 0.000 0.191 322 E C 1.729 178.337 176.600 0.013 0.000 0.973 322 E CA 0.647 57.044 56.400 -0.005 0.000 0.829 322 E CB 0.065 29.756 29.700 -0.014 0.000 0.781 322 E HN 0.565 nan 8.360 nan 0.000 0.466 323 E N 1.371 121.580 120.200 0.014 0.000 2.072 323 E HA -0.126 4.237 4.350 0.023 0.000 0.191 323 E C 2.256 178.883 176.600 0.044 0.000 0.985 323 E CA 0.770 57.186 56.400 0.027 0.000 0.801 323 E CB -0.201 29.517 29.700 0.030 0.000 0.750 323 E HN 0.205 nan 8.360 nan 0.000 0.452 324 L N 0.595 121.851 121.223 0.055 0.000 2.201 324 L HA -0.157 4.196 4.340 0.023 0.000 0.212 324 L C 2.358 179.292 176.870 0.107 0.000 1.105 324 L CA 0.272 55.160 54.840 0.081 0.000 0.775 324 L CB -0.270 41.839 42.059 0.083 0.000 0.913 324 L HN 0.092 nan 8.230 nan 0.000 0.440 325 L N -0.144 121.136 121.223 0.096 0.000 2.141 325 L HA -0.127 4.227 4.340 0.023 0.000 0.209 325 L C 2.645 179.576 176.870 0.100 0.000 1.094 325 L CA 1.841 56.764 54.840 0.139 0.000 0.763 325 L CB -0.805 41.319 42.059 0.108 0.000 0.908 325 L HN 0.185 nan 8.230 nan 0.000 0.437 326 A N -1.970 120.883 122.820 0.055 0.000 1.832 326 A HA -0.174 4.160 4.320 0.023 0.000 0.214 326 A C 2.439 180.027 177.584 0.007 0.000 1.204 326 A CA 1.663 53.714 52.037 0.023 0.000 0.606 326 A CB -1.062 17.946 19.000 0.014 0.000 0.849 326 A HN 0.325 nan 8.150 nan 0.000 0.445 327 S N -0.289 115.420 115.700 0.017 0.000 2.407 327 S HA -0.253 4.230 4.470 0.023 0.000 0.244 327 S C 1.853 176.450 174.600 -0.005 0.000 1.077 327 S CA 2.047 60.253 58.200 0.011 0.000 1.159 327 S CB -0.615 62.609 63.200 0.039 0.000 1.045 327 S HN 0.455 nan 8.310 nan 0.000 0.438 328 L N 0.082 121.328 121.223 0.038 0.000 2.141 328 L HA -0.109 4.245 4.340 0.023 0.000 0.209 328 L C 2.246 178.982 176.870 -0.224 0.000 1.094 328 L CA 0.580 55.420 54.840 -0.000 0.000 0.763 328 L CB -0.323 41.879 42.059 0.238 0.000 0.908 328 L HN 0.261 nan 8.230 nan 0.000 0.437 329 L N -0.226 120.903 121.223 -0.156 0.000 1.988 329 L HA -0.239 4.114 4.340 0.023 0.000 0.207 329 L C 2.348 179.069 176.870 -0.249 0.000 1.071 329 L CA 1.683 56.384 54.840 -0.232 0.000 0.744 329 L CB -0.910 41.099 42.059 -0.084 0.000 0.893 329 L HN 0.301 nan 8.230 nan 0.000 0.433 330 N N -0.398 118.204 118.700 -0.163 0.000 2.073 330 N HA -0.289 4.465 4.740 0.023 0.000 0.199 330 N C 2.037 177.419 175.510 -0.214 0.000 1.023 330 N CA 1.873 54.831 53.050 -0.154 0.000 0.880 330 N CB 0.016 38.443 38.487 -0.099 0.000 1.052 330 N HN 0.302 nan 8.380 nan 0.000 0.449 331 R N 0.277 120.631 120.500 -0.244 0.000 2.081 331 R HA -0.081 4.273 4.340 0.023 0.000 0.235 331 R C 2.309 178.248 176.300 -0.601 0.000 1.131 331 R CA 0.934 56.838 56.100 -0.327 0.000 0.960 331 R CB -0.619 29.525 30.300 -0.260 0.000 0.856 331 R HN 0.166 nan 8.270 nan 0.000 0.436 332 V N 0.881 120.356 119.914 -0.732 0.000 2.343 332 V HA -0.312 3.821 4.120 0.023 0.000 0.247 332 V C 2.626 178.397 176.094 -0.538 0.000 1.051 332 V CA 1.613 63.377 62.300 -0.895 0.000 1.036 332 V CB -0.334 30.908 31.823 -0.970 0.000 0.654 332 V HN 0.526 nan 8.190 nan 0.000 0.451 333 C N -0.438 118.630 119.300 -0.387 0.000 3.038 333 C HA -0.293 4.181 4.460 0.023 0.000 0.289 333 C C 2.822 177.689 174.990 -0.205 0.000 1.190 333 C CA 2.010 60.882 59.018 -0.243 0.000 1.807 333 C CB -1.267 26.357 27.740 -0.194 0.000 1.951 333 C HN 0.669 nan 8.230 nan 0.000 0.414 334 Q N -0.011 119.677 119.800 -0.186 0.000 2.204 334 Q HA -0.392 3.961 4.340 0.023 0.000 0.220 334 Q C 1.613 177.531 176.000 -0.137 0.000 1.064 334 Q CA 3.009 58.721 55.803 -0.152 0.000 0.946 334 Q CB -1.094 27.544 28.738 -0.168 0.000 1.083 334 Q HN 0.916 nan 8.270 nan 0.000 0.443 335 D N -1.813 118.473 120.400 -0.190 0.000 2.123 335 D HA -0.120 4.533 4.640 0.023 0.000 0.196 335 D C 1.374 177.632 176.300 -0.069 0.000 0.992 335 D CA 2.700 56.633 54.000 -0.111 0.000 0.833 335 D CB -0.133 40.610 40.800 -0.095 0.000 0.954 335 D HN 0.486 nan 8.370 nan 0.000 0.455 336 G N -0.683 108.061 108.800 -0.094 0.000 3.141 336 G HA2 -0.266 3.708 3.960 0.023 0.000 0.205 336 G HA3 -0.266 3.708 3.960 0.023 0.000 0.205 336 G C -0.097 174.782 174.900 -0.035 0.000 1.924 336 G CA -0.164 44.902 45.100 -0.056 0.000 1.573 336 G HN 0.428 nan 8.290 nan 0.000 0.591 337 R N 1.911 122.415 120.500 0.005 0.000 2.503 337 R HA 0.393 4.747 4.340 0.023 0.000 0.271 337 R C 0.505 176.836 176.300 0.052 0.000 0.960 337 R CA 1.529 57.659 56.100 0.051 0.000 1.104 337 R CB -0.032 30.321 30.300 0.089 0.000 0.879 337 R HN 0.905 nan 8.270 nan 0.000 0.420 338 K N 4.351 124.817 120.400 0.111 0.000 2.221 338 K HA 0.402 4.736 4.320 0.023 0.000 0.258 338 K C -2.593 174.178 176.600 0.284 0.000 0.944 338 K CA -2.164 54.196 56.287 0.121 0.000 0.823 338 K CB 0.846 33.391 32.500 0.075 0.000 1.113 338 K HN 0.453 nan 8.250 nan 0.000 0.431 339 P HA 0.262 nan 4.420 nan 0.000 0.280 339 P C -0.489 177.048 177.300 0.395 0.000 1.244 339 P CA 0.083 63.424 63.100 0.401 0.000 0.784 339 P CB 0.479 32.529 31.700 0.584 0.000 0.913 340 H N -0.164 118.987 119.070 0.135 0.000 2.652 340 H HA 0.184 4.754 4.556 0.023 0.000 0.274 340 H C -0.129 175.237 175.328 0.062 0.000 1.021 340 H CA 0.076 56.174 56.048 0.083 0.000 1.187 340 H CB 0.916 30.712 29.762 0.056 0.000 1.505 340 H HN 0.351 nan 8.280 nan 0.000 0.530 341 T N 1.450 116.118 114.554 0.189 0.000 2.886 341 T HA 0.292 4.656 4.350 0.023 0.000 0.292 341 T C -0.667 174.032 174.700 -0.002 0.000 1.012 341 T CA -0.429 61.720 62.100 0.082 0.000 0.982 341 T CB 2.958 71.870 68.868 0.073 0.000 1.018 341 T HN -0.096 nan 8.240 nan 0.000 0.451 342 V N 3.036 122.904 119.914 -0.076 0.000 2.732 342 V HA 0.831 4.965 4.120 0.023 0.000 0.310 342 V C -0.490 175.530 176.094 -0.124 0.000 1.053 342 V CA -0.779 61.395 62.300 -0.209 0.000 0.957 342 V CB 1.845 33.502 31.823 -0.276 0.000 1.018 342 V HN 0.820 nan 8.190 nan 0.000 0.452 343 R N 4.052 124.466 120.500 -0.143 0.000 2.626 343 R HA 0.626 4.980 4.340 0.023 0.000 0.274 343 R C -2.296 173.973 176.300 -0.052 0.000 1.031 343 R CA -0.691 55.370 56.100 -0.064 0.000 0.898 343 R CB 1.938 32.220 30.300 -0.031 0.000 1.222 343 R HN 0.691 nan 8.270 nan 0.000 0.455 344 L N 4.955 126.174 121.223 -0.007 0.000 2.362 344 L HA 0.592 4.945 4.340 0.023 0.000 0.275 344 L C -0.565 176.330 176.870 0.042 0.000 0.998 344 L CA -0.571 54.284 54.840 0.025 0.000 0.820 344 L CB 2.042 44.140 42.059 0.065 0.000 1.270 344 L HN 0.497 nan 8.230 nan 0.000 0.415 345 I N 3.919 124.514 120.570 0.041 0.000 2.797 345 I HA 0.655 4.839 4.170 0.023 0.000 0.307 345 I C -0.614 175.530 176.117 0.045 0.000 1.033 345 I CA -0.939 60.382 61.300 0.036 0.000 1.071 345 I CB 2.226 40.236 38.000 0.017 0.000 1.255 345 I HN 0.501 nan 8.210 nan 0.000 0.445 346 I N 1.271 121.860 120.570 0.033 0.000 3.004 346 I HA 0.653 4.837 4.170 0.023 0.000 0.305 346 I C -1.175 174.946 176.117 0.007 0.000 1.312 346 I CA -0.790 60.532 61.300 0.037 0.000 0.992 346 I CB 2.352 40.400 38.000 0.079 0.000 1.282 346 I HN 0.635 nan 8.210 nan 0.000 0.449 347 R N 2.074 122.573 120.500 -0.001 0.000 2.867 347 R HA 0.807 5.160 4.340 0.023 0.000 0.268 347 R C -1.298 175.014 176.300 0.020 0.000 1.014 347 R CA -0.987 55.112 56.100 -0.002 0.000 0.946 347 R CB 2.189 32.475 30.300 -0.024 0.000 1.208 347 R HN 0.886 nan 8.270 nan 0.000 0.477 348 R N -0.674 119.837 120.500 0.018 0.000 3.084 348 R HA 0.572 4.926 4.340 0.023 0.000 0.234 348 R C -0.300 176.013 176.300 0.022 0.000 1.433 348 R CA -0.221 55.897 56.100 0.030 0.000 1.053 348 R CB 0.366 30.681 30.300 0.024 0.000 1.449 348 R HN 0.634 nan 8.270 nan 0.000 0.505 356 G N 2.905 111.701 108.800 -0.008 0.000 2.394 356 G HA2 0.514 4.488 3.960 0.023 0.000 0.298 356 G HA3 0.514 4.488 3.960 0.023 0.000 0.298 356 G C -0.175 174.722 174.900 -0.006 0.000 1.087 356 G CA 0.005 45.103 45.100 -0.004 0.000 1.035 356 G HN 0.733 nan 8.290 nan 0.000 0.420 357 R N 2.373 122.870 120.500 -0.005 0.000 2.664 357 R HA 0.607 4.961 4.340 0.023 0.000 0.286 357 R C -0.782 175.519 176.300 0.001 0.000 0.967 357 R CA -0.841 55.256 56.100 -0.004 0.000 0.933 357 R CB 2.312 32.607 30.300 -0.008 0.000 1.146 357 R HN 0.453 nan 8.270 nan 0.000 0.468 358 E N 0.635 120.838 120.200 0.005 0.000 2.227 358 E HA 0.407 4.771 4.350 0.023 0.000 0.268 358 E C -1.031 175.578 176.600 0.014 0.000 0.907 358 E CA -0.675 55.729 56.400 0.007 0.000 0.786 358 E CB 2.302 32.003 29.700 0.002 0.000 1.191 358 E HN 0.656 nan 8.360 nan 0.000 0.411 359 S N 1.954 117.661 115.700 0.012 0.000 2.599 359 S HA 0.705 5.188 4.470 0.023 0.000 0.287 359 S C -0.808 173.799 174.600 0.013 0.000 1.105 359 S CA -1.248 56.962 58.200 0.016 0.000 0.899 359 S CB 1.690 64.897 63.200 0.011 0.000 1.100 359 S HN 0.267 nan 8.310 nan 0.000 0.482 360 R N 1.054 121.564 120.500 0.017 0.000 2.575 360 R HA 0.511 4.865 4.340 0.023 0.000 0.293 360 R C -1.028 175.276 176.300 0.007 0.000 0.983 360 R CA -0.454 55.653 56.100 0.012 0.000 0.887 360 R CB 1.829 32.139 30.300 0.016 0.000 1.184 360 R HN 0.806 nan 8.270 nan 0.000 0.445 361 Q N 1.024 120.826 119.800 0.003 0.000 2.257 361 Q HA 0.670 5.024 4.340 0.023 0.000 0.262 361 Q C -0.701 175.298 176.000 -0.002 0.000 0.997 361 Q CA -0.566 55.236 55.803 -0.002 0.000 0.873 361 Q CB 2.001 30.741 28.738 0.003 0.000 1.312 361 Q HN 0.838 nan 8.270 nan 0.000 0.450 362 C N 0.708 120.003 119.300 -0.008 0.000 3.239 362 C HA 0.705 5.179 4.460 0.023 0.000 0.317 362 C C -2.830 172.158 174.990 -0.003 0.000 1.310 362 C CA -1.998 57.018 59.018 -0.004 0.000 1.371 362 C CB 0.990 28.727 27.740 -0.004 0.000 1.714 362 C HN 0.622 nan 8.230 nan 0.000 0.473 363 P HA 0.272 nan 4.420 nan 0.000 0.269 363 P C -0.691 176.601 177.300 -0.014 0.000 1.211 363 P CA 0.294 63.400 63.100 0.010 0.000 0.781 363 P CB 0.303 32.008 31.700 0.009 0.000 0.877 364 I N 4.022 124.581 120.570 -0.018 0.000 2.304 364 I HA 0.199 4.383 4.170 0.023 0.000 0.291 364 I C -1.940 174.105 176.117 -0.121 0.000 1.018 364 I CA -2.383 58.888 61.300 -0.048 0.000 1.260 364 I CB 1.281 39.274 38.000 -0.012 0.000 1.390 364 I HN 0.179 nan 8.210 nan 0.000 0.475 365 P HA -0.023 nan 4.420 nan 0.000 0.257 365 P C 0.836 177.867 177.300 -0.449 0.000 1.227 365 P CA 0.256 63.163 63.100 -0.322 0.000 0.981 365 P CB 0.132 31.593 31.700 -0.397 0.000 1.044 366 S N 3.226 118.758 115.700 -0.279 0.000 2.547 366 S HA -0.423 4.060 4.470 0.023 0.000 0.428 366 S C 1.829 176.336 174.600 -0.155 0.000 1.180 366 S CA 2.309 60.385 58.200 -0.207 0.000 2.217 366 S CB -2.234 60.898 63.200 -0.115 0.000 1.761 366 S HN 0.724 nan 8.310 nan 0.000 0.498 367 H N 2.089 121.141 119.070 -0.029 0.000 2.387 367 H HA 0.007 4.576 4.556 0.023 0.000 0.299 367 H C 2.368 177.684 175.328 -0.021 0.000 1.099 367 H CA 1.793 57.828 56.048 -0.021 0.000 1.315 367 H CB -0.691 29.064 29.762 -0.011 0.000 1.380 367 H HN 0.716 nan 8.280 nan 0.000 0.513 368 V N -0.466 119.536 119.914 0.146 0.000 3.141 368 V HA -0.084 4.050 4.120 0.023 0.000 0.265 368 V C 2.391 178.510 176.094 0.042 0.000 1.126 368 V CA 0.842 63.257 62.300 0.192 0.000 1.141 368 V CB -0.912 30.974 31.823 0.105 0.000 0.743 368 V HN 0.325 nan 8.190 nan 0.000 0.492 369 I N 0.188 120.734 120.570 -0.040 0.000 2.099 369 I HA -0.190 3.994 4.170 0.023 0.000 0.239 369 I C 2.091 178.197 176.117 -0.018 0.000 1.066 369 I CA 1.456 62.720 61.300 -0.060 0.000 1.324 369 I CB -0.289 37.611 38.000 -0.167 0.000 1.037 369 I HN 0.462 nan 8.210 nan 0.000 0.401 380 M N 0.865 120.485 119.600 0.034 0.000 2.084 380 M HA -0.141 4.353 4.480 0.023 0.000 0.259 380 M C 2.182 178.506 176.300 0.041 0.000 1.072 380 M CA 2.854 58.179 55.300 0.041 0.000 1.107 380 M CB -0.645 31.970 32.600 0.025 0.000 1.299 380 M HN 0.796 nan 8.290 nan 0.000 0.413 381 T N 1.509 116.080 114.554 0.029 0.000 2.110 381 T HA -0.241 4.122 4.350 0.023 0.000 0.184 381 T C -0.448 174.272 174.700 0.032 0.000 1.743 381 T CA 2.469 64.584 62.100 0.024 0.000 1.046 381 T CB -2.630 66.249 68.868 0.017 0.000 0.835 381 T HN 0.407 nan 8.240 nan 0.000 0.407 382 P HA -0.197 nan 4.420 nan 0.000 0.216 382 P C 1.729 179.060 177.300 0.053 0.000 1.157 382 P CA 1.740 64.877 63.100 0.061 0.000 0.880 382 P CB -0.203 31.561 31.700 0.107 0.000 0.791 383 M N -0.194 119.440 119.600 0.057 0.000 2.180 383 M HA -0.138 4.355 4.480 0.023 0.000 0.260 383 M C 2.513 178.831 176.300 0.029 0.000 1.071 383 M CA 1.487 56.818 55.300 0.051 0.000 1.096 383 M CB -2.012 30.639 32.600 0.085 0.000 1.276 383 M HN -0.164 nan 8.290 nan 0.000 0.426 384 V N 1.216 121.147 119.914 0.028 0.000 2.233 384 V HA -0.396 3.738 4.120 0.023 0.000 0.256 384 V C 2.461 178.563 176.094 0.013 0.000 1.069 384 V CA 3.178 65.484 62.300 0.009 0.000 1.054 384 V CB -2.437 29.390 31.823 0.006 0.000 0.664 384 V HN 0.682 nan 8.190 nan 0.000 0.453 385 D N -0.131 120.283 120.400 0.023 0.000 2.126 385 D HA -0.164 4.490 4.640 0.023 0.000 0.190 385 D C 2.119 178.438 176.300 0.033 0.000 1.001 385 D CA 3.281 57.298 54.000 0.029 0.000 0.841 385 D CB -0.730 40.090 40.800 0.032 0.000 0.949 385 D HN 0.682 nan 8.370 nan 0.000 0.446 386 I N -0.131 120.456 120.570 0.028 0.000 2.493 386 I HA 0.205 4.388 4.170 0.023 0.000 0.254 386 I C 2.717 178.849 176.117 0.025 0.000 1.160 386 I CA 1.068 62.382 61.300 0.023 0.000 1.445 386 I CB -1.026 36.980 38.000 0.009 0.000 1.086 386 I HN 0.474 nan 8.210 nan 0.000 0.433 387 L N -0.733 120.500 121.223 0.016 0.000 2.275 387 L HA -0.157 4.196 4.340 0.023 0.000 0.215 387 L C 2.585 179.500 176.870 0.074 0.000 1.119 387 L CA 1.186 56.039 54.840 0.021 0.000 0.790 387 L CB -0.415 41.637 42.059 -0.013 0.000 0.919 387 L HN 0.467 nan 8.230 nan 0.000 0.443 388 M N -0.358 119.286 119.600 0.073 0.000 2.357 388 M HA -0.044 4.449 4.480 0.023 0.000 0.266 388 M C 2.691 179.095 176.300 0.173 0.000 1.095 388 M CA 1.306 56.684 55.300 0.129 0.000 1.156 388 M CB -1.187 31.455 32.600 0.070 0.000 1.365 388 M HN 0.108 nan 8.290 nan 0.000 0.447 389 K N 0.756 121.218 120.400 0.104 0.000 2.211 389 K HA -0.043 4.291 4.320 0.023 0.000 0.204 389 K C 1.944 178.592 176.600 0.080 0.000 1.047 389 K CA 1.306 57.641 56.287 0.080 0.000 0.935 389 K CB -1.394 31.134 32.500 0.047 0.000 0.728 389 K HN 0.463 nan 8.250 nan 0.000 0.452 390 L N -1.734 119.552 121.223 0.105 0.000 2.179 390 L HA 0.116 4.470 4.340 0.023 0.000 0.208 390 L C 2.495 179.453 176.870 0.146 0.000 1.096 390 L CA 0.789 55.684 54.840 0.091 0.000 0.779 390 L CB -0.140 41.963 42.059 0.073 0.000 0.922 390 L HN 0.476 nan 8.230 nan 0.000 0.443 391 F N 0.869 120.821 119.950 0.003 0.000 2.084 391 F HA -0.212 4.329 4.527 0.023 0.000 0.296 391 F C 2.700 178.506 175.800 0.010 0.000 1.111 391 F CA 1.429 59.435 58.000 0.010 0.000 1.224 391 F CB 0.095 39.103 39.000 0.014 0.000 0.991 391 F HN -0.148 nan 8.300 nan 0.000 0.471 392 R N 0.150 120.642 120.500 -0.012 0.000 2.073 392 R HA -0.160 4.193 4.340 0.023 0.000 0.229 392 R C 2.040 178.272 176.300 -0.115 0.000 1.120 392 R CA 1.190 57.213 56.100 -0.127 0.000 0.967 392 R CB -0.922 29.375 30.300 -0.005 0.000 0.862 392 R HN 0.344 nan 8.270 nan 0.000 0.436 393 N N 0.491 119.161 118.700 -0.050 0.000 2.389 393 N HA -0.193 4.561 4.740 0.023 0.000 0.194 393 N C 0.161 175.625 175.510 -0.076 0.000 1.008 393 N CA 0.834 53.855 53.050 -0.048 0.000 0.898 393 N CB 0.163 38.637 38.487 -0.021 0.000 0.957 393 N HN 0.200 nan 8.380 nan 0.000 0.447 405 L N 0.317 121.284 121.223 -0.426 0.000 4.324 405 L HA 0.585 4.938 4.340 0.023 0.000 0.217 405 L C -2.383 174.313 176.870 -0.289 0.000 1.037 405 L CA -1.347 53.121 54.840 -0.619 0.000 0.985 405 L CB 0.165 42.017 42.059 -0.345 0.000 1.440 405 L HN 0.277 nan 8.230 nan 0.000 0.358 406 L N 1.895 122.950 121.223 -0.282 0.000 2.472 406 L HA 0.957 5.310 4.340 0.023 0.000 0.260 406 L C -0.020 176.834 176.870 -0.026 0.000 0.963 406 L CA -0.170 54.649 54.840 -0.036 0.000 0.829 406 L CB 2.205 44.334 42.059 0.117 0.000 1.348 406 L HN 1.490 nan 8.230 nan 0.000 0.408 407 S N 0.988 116.696 115.700 0.013 0.000 2.550 407 S HA 0.792 5.276 4.470 0.023 0.000 0.270 407 S C -1.085 173.531 174.600 0.027 0.000 1.145 407 S CA -0.766 57.448 58.200 0.023 0.000 0.852 407 S CB 2.341 65.551 63.200 0.018 0.000 1.119 407 S HN 0.182 nan 8.310 nan 0.000 0.465 408 V N 0.683 120.619 119.914 0.036 0.000 2.581 408 V HA 0.712 4.846 4.120 0.023 0.000 0.303 408 V C -0.201 175.913 176.094 0.035 0.000 1.041 408 V CA -0.723 61.579 62.300 0.004 0.000 0.907 408 V CB 1.328 33.147 31.823 -0.007 0.000 0.994 408 V HN 1.176 nan 8.190 nan 0.000 0.442 409 C N 5.253 124.532 119.300 -0.035 0.000 2.441 409 C HA 0.713 5.187 4.460 0.023 0.000 0.318 409 C C -0.669 174.255 174.990 -0.110 0.000 1.222 409 C CA -0.711 58.327 59.018 0.034 0.000 1.474 409 C CB 0.272 28.036 27.740 0.040 0.000 2.125 409 C HN 0.743 nan 8.230 nan 0.000 0.479 410 F N 5.281 125.327 119.950 0.161 0.000 2.391 410 F HA 0.511 5.052 4.527 0.023 0.000 0.359 410 F C 0.900 176.810 175.800 0.183 0.000 1.122 410 F CA -0.088 58.022 58.000 0.183 0.000 1.120 410 F CB 0.682 39.836 39.000 0.258 0.000 1.142 410 F HN 0.705 nan 8.300 nan 0.000 0.483 411 C N 2.347 121.783 119.300 0.227 0.000 2.668 411 C HA 0.498 4.972 4.460 0.023 0.000 0.355 411 C C 0.635 175.726 174.990 0.168 0.000 1.277 411 C CA -1.344 57.773 59.018 0.165 0.000 1.787 411 C CB 1.605 29.395 27.740 0.085 0.000 2.233 411 C HN 0.951 nan 8.230 nan 0.000 0.495 412 N N 0.327 119.091 118.700 0.107 0.000 2.756 412 N HA -0.142 4.612 4.740 0.023 0.000 0.248 412 N C -0.535 175.025 175.510 0.082 0.000 1.062 412 N CA 0.079 53.170 53.050 0.069 0.000 0.696 412 N CB -0.385 38.139 38.487 0.061 0.000 0.946 412 N HN 0.659 nan 8.380 nan 0.000 0.548 413 L N 0.387 121.687 121.223 0.127 0.000 2.499 413 L HA 0.182 4.535 4.340 0.023 0.000 0.281 413 L C 1.109 177.994 176.870 0.025 0.000 1.234 413 L CA 1.244 56.173 54.840 0.148 0.000 0.839 413 L CB 0.110 42.292 42.059 0.205 0.000 1.104 413 L HN 0.229 nan 8.230 nan 0.000 0.500 414 K N 0.000 120.418 120.400 0.030 0.000 2.780 414 K HA 0.000 4.334 4.320 0.023 0.000 0.191 414 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 414 K CB 0.000 32.343 32.500 -0.261 0.000 1.064 414 K HN 0.000 nan 8.250 nan 0.000 0.543