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 2mta_1_H DATA FIRST_RESID 1 DATA SEQUENCE QGQAAARAAA ADLAAGQDDE PRILEAPAPD ARRVYVNDPA HFAAVTQQFV DATA SEQUENCE IDGEAGRVIG MIDGGFLPNP VVADDGSFIA HASTVFSRIA RGERTDYVEV DATA SEQUENCE FDPVTLLPTA DIELPDAPRF LVGTYPWMTS LTPDGKTLLF YQFSPAPAVG DATA SEQUENCE VVDLEGKAFK RMLDVPDcYH IFPTAPDTFF MHcRDGSLAK VAFGTEGTPE DATA SEQUENCE ITHTEVFHPE DEFLINHPAY SQKAGRLVWP TYTGKIHQID LSSGDAKFLP DATA SEQUENCE AVEALTEAER ADGWRPGGWQ QVAYHRALDR IYLLVDQRDE WRHKTASRFL DATA SEQUENCE VVLDAKTGER LAKFEMGHEI DSINVSQDEK PLLYALSTGD KTLYIHDAES DATA SEQUENCE GEELRSVNQL GHGPQVITTA DMG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.989 176.000 -0.019 0.000 1.003 1 Q CA 0.000 55.790 55.803 -0.022 0.000 1.022 1 Q CB 0.000 28.723 28.738 -0.025 0.000 1.108 2 G N 0.337 109.125 108.800 -0.020 0.000 2.637 2 G HA2 -0.233 3.711 3.960 -0.027 0.000 0.215 2 G HA3 -0.233 3.711 3.960 -0.027 0.000 0.215 2 G C 1.018 175.909 174.900 -0.014 0.000 1.289 2 G CA 1.207 46.297 45.100 -0.017 0.000 0.816 2 G HN 0.460 nan 8.290 nan 0.000 0.580 3 Q N 0.374 120.166 119.800 -0.014 0.000 2.156 3 Q HA -0.250 4.073 4.340 -0.027 0.000 0.211 3 Q C 2.951 178.944 176.000 -0.010 0.000 0.995 3 Q CA 1.693 57.489 55.803 -0.012 0.000 0.877 3 Q CB -0.442 28.289 28.738 -0.012 0.000 0.920 3 Q HN 0.476 nan 8.270 nan 0.000 0.416 4 A N 0.986 123.799 122.820 -0.011 0.000 1.873 4 A HA -0.003 4.301 4.320 -0.027 0.000 0.215 4 A C 2.223 179.801 177.584 -0.010 0.000 1.186 4 A CA 1.596 53.627 52.037 -0.010 0.000 0.616 4 A CB -0.533 18.460 19.000 -0.012 0.000 0.823 4 A HN 0.388 nan 8.150 nan 0.000 0.442 5 A N -1.029 121.784 122.820 -0.011 0.000 2.208 5 A HA 0.508 4.812 4.320 -0.027 0.000 0.209 5 A C 2.118 179.697 177.584 -0.009 0.000 1.161 5 A CA 1.271 53.302 52.037 -0.010 0.000 0.782 5 A CB -0.505 18.488 19.000 -0.011 0.000 0.816 5 A HN 0.777 nan 8.150 nan 0.000 0.477 6 A N 1.423 124.238 122.820 -0.009 0.000 1.850 6 A HA -0.017 4.287 4.320 -0.027 0.000 0.212 6 A C 2.144 179.724 177.584 -0.007 0.000 1.208 6 A CA 1.062 53.094 52.037 -0.008 0.000 0.609 6 A CB -0.523 18.472 19.000 -0.009 0.000 0.860 6 A HN 0.589 nan 8.150 nan 0.000 0.448 7 R N 0.088 120.584 120.500 -0.007 0.000 2.170 7 R HA -0.037 4.286 4.340 -0.027 0.000 0.242 7 R C 2.011 178.308 176.300 -0.006 0.000 1.145 7 R CA 1.541 57.637 56.100 -0.006 0.000 0.984 7 R CB -0.696 29.600 30.300 -0.006 0.000 0.869 7 R HN 0.347 nan 8.270 nan 0.000 0.455 8 A N 1.931 124.747 122.820 -0.006 0.000 1.832 8 A HA 0.025 4.329 4.320 -0.027 0.000 0.214 8 A C 2.640 180.220 177.584 -0.005 0.000 1.200 8 A CA 1.520 53.554 52.037 -0.006 0.000 0.610 8 A CB -1.124 17.872 19.000 -0.006 0.000 0.842 8 A HN 0.484 nan 8.150 nan 0.000 0.444 9 A N -0.067 122.749 122.820 -0.006 0.000 1.859 9 A HA 0.015 4.318 4.320 -0.027 0.000 0.217 9 A C 2.579 180.160 177.584 -0.005 0.000 1.198 9 A CA 2.992 55.025 52.037 -0.005 0.000 0.629 9 A CB -1.394 17.602 19.000 -0.006 0.000 0.830 9 A HN 1.315 nan 8.150 nan 0.000 0.446 10 A N -0.505 122.312 122.820 -0.005 0.000 1.903 10 A HA 0.007 4.311 4.320 -0.027 0.000 0.219 10 A C 2.494 180.076 177.584 -0.004 0.000 1.191 10 A CA 2.853 54.887 52.037 -0.004 0.000 0.638 10 A CB -1.065 17.933 19.000 -0.005 0.000 0.823 10 A HN 1.283 nan 8.150 nan 0.000 0.451 11 A N -1.029 121.789 122.820 -0.004 0.000 2.021 11 A HA -0.035 4.268 4.320 -0.027 0.000 0.216 11 A C 1.714 179.296 177.584 -0.003 0.000 1.163 11 A CA 1.302 53.337 52.037 -0.003 0.000 0.676 11 A CB -0.402 18.596 19.000 -0.003 0.000 0.818 11 A HN 0.474 nan 8.150 nan 0.000 0.453 12 D N -0.118 120.281 120.400 -0.003 0.000 2.133 12 D HA -0.181 4.442 4.640 -0.027 0.000 0.195 12 D C 1.778 178.077 176.300 -0.003 0.000 0.997 12 D CA 1.405 55.403 54.000 -0.003 0.000 0.840 12 D CB -0.187 40.611 40.800 -0.003 0.000 0.947 12 D HN 0.361 nan 8.370 nan 0.000 0.452 13 L N 0.927 122.148 121.223 -0.003 0.000 2.044 13 L HA -0.008 4.316 4.340 -0.027 0.000 0.205 13 L C 2.186 179.055 176.870 -0.002 0.000 1.075 13 L CA 1.612 56.450 54.840 -0.003 0.000 0.747 13 L CB -0.746 41.311 42.059 -0.003 0.000 0.903 13 L HN -0.062 nan 8.230 nan 0.000 0.435 14 A N -1.080 121.739 122.820 -0.002 0.000 2.172 14 A HA 0.106 4.410 4.320 -0.027 0.000 0.216 14 A C 2.104 179.686 177.584 -0.002 0.000 1.154 14 A CA 1.233 53.269 52.037 -0.002 0.000 0.701 14 A CB -0.791 18.208 19.000 -0.002 0.000 0.789 14 A HN 0.481 nan 8.150 nan 0.000 0.465 15 A N -2.303 120.516 122.820 -0.002 0.000 2.308 15 A HA 0.460 4.763 4.320 -0.027 0.000 0.217 15 A C 1.683 179.266 177.584 -0.001 0.000 1.216 15 A CA 1.060 53.096 52.037 -0.002 0.000 0.864 15 A CB -0.444 18.555 19.000 -0.002 0.000 0.902 15 A HN 1.700 nan 8.150 nan 0.000 0.499 16 G N -1.518 107.281 108.800 -0.002 0.000 2.194 16 G HA2 -0.203 3.741 3.960 -0.027 0.000 0.236 16 G HA3 -0.203 3.741 3.960 -0.027 0.000 0.236 16 G C 0.151 175.051 174.900 -0.001 0.000 0.987 16 G CA 0.108 45.207 45.100 -0.001 0.000 0.635 16 G HN 0.392 nan 8.290 nan 0.000 0.520 17 Q N 1.298 121.097 119.800 -0.002 0.000 2.293 17 Q HA 0.399 4.722 4.340 -0.027 0.000 0.263 17 Q C -0.406 175.593 176.000 -0.002 0.000 1.002 17 Q CA 0.161 55.963 55.803 -0.002 0.000 0.910 17 Q CB 1.222 29.959 28.738 -0.002 0.000 1.185 17 Q HN 0.457 nan 8.270 nan 0.000 0.401 18 D N 1.239 121.638 120.400 -0.002 0.000 2.253 18 D HA 0.143 4.767 4.640 -0.027 0.000 0.249 18 D C -0.889 175.410 176.300 -0.002 0.000 1.049 18 D CA -0.333 53.666 54.000 -0.002 0.000 0.929 18 D CB 0.943 41.743 40.800 -0.001 0.000 1.176 18 D HN 0.203 nan 8.370 nan 0.000 0.437 19 D N 1.579 121.978 120.400 -0.002 0.000 2.277 19 D HA 0.122 4.746 4.640 -0.027 0.000 0.249 19 D C -0.331 175.968 176.300 -0.001 0.000 1.134 19 D CA 0.046 54.045 54.000 -0.002 0.000 0.863 19 D CB 1.004 41.802 40.800 -0.002 0.000 1.143 19 D HN 0.328 nan 8.370 nan 0.000 0.458 20 E N 2.775 122.974 120.200 -0.001 0.000 2.173 20 E HA 0.294 4.627 4.350 -0.027 0.000 0.249 20 E C -2.275 174.325 176.600 -0.001 0.000 0.923 20 E CA -1.818 54.582 56.400 -0.001 0.000 0.754 20 E CB 0.689 30.389 29.700 -0.000 0.000 1.177 20 E HN 0.116 nan 8.360 nan 0.000 0.430 21 P HA 0.033 nan 4.420 nan 0.000 0.266 21 P C -0.960 176.340 177.300 -0.000 0.000 1.195 21 P CA 0.223 63.323 63.100 -0.001 0.000 0.768 21 P CB 0.495 32.194 31.700 -0.001 0.000 0.838 22 R N 1.052 121.551 120.500 -0.000 0.000 2.795 22 R HA 0.665 4.988 4.340 -0.027 0.000 0.268 22 R C -1.110 175.190 176.300 0.000 0.000 1.041 22 R CA -1.095 55.005 56.100 0.001 0.000 0.927 22 R CB 0.743 31.044 30.300 0.001 0.000 1.235 22 R HN 0.136 nan 8.270 nan 0.000 0.463 23 I N 2.099 122.670 120.570 0.002 0.000 2.337 23 I HA 0.116 4.270 4.170 -0.027 0.000 0.291 23 I C -0.099 176.019 176.117 0.002 0.000 1.046 23 I CA -0.711 60.590 61.300 0.002 0.000 1.324 23 I CB 0.835 38.838 38.000 0.005 0.000 1.409 23 I HN 0.333 nan 8.210 nan 0.000 0.494 24 L N 7.074 128.296 121.223 -0.001 0.000 2.474 24 L HA 0.215 4.539 4.340 -0.027 0.000 0.259 24 L C 0.406 177.277 176.870 0.002 0.000 1.232 24 L CA 0.320 55.159 54.840 -0.001 0.000 0.821 24 L CB 0.045 42.101 42.059 -0.005 0.000 1.108 24 L HN 0.551 nan 8.230 nan 0.000 0.495 25 E N 0.171 120.373 120.200 0.003 0.000 2.212 25 E HA 0.595 4.929 4.350 -0.027 0.000 0.268 25 E C -0.915 175.686 176.600 0.002 0.000 0.902 25 E CA -1.059 55.346 56.400 0.007 0.000 0.779 25 E CB 1.668 31.375 29.700 0.012 0.000 1.172 25 E HN 0.674 nan 8.360 nan 0.000 0.409 26 A N 4.030 126.851 122.820 0.002 0.000 2.440 26 A HA 0.288 4.592 4.320 -0.027 0.000 0.251 26 A C -2.045 175.540 177.584 0.002 0.000 1.089 26 A CA -1.148 50.885 52.037 -0.006 0.000 0.779 26 A CB -0.346 18.648 19.000 -0.009 0.000 1.022 26 A HN 0.355 nan 8.150 nan 0.000 0.492 27 P HA 0.122 nan 4.420 nan 0.000 0.264 27 P C 0.156 177.461 177.300 0.008 0.000 1.183 27 P CA 0.451 63.551 63.100 0.000 0.000 0.763 27 P CB 0.358 32.053 31.700 -0.008 0.000 0.807 28 A N 5.993 128.822 122.820 0.016 0.000 2.555 28 A HA 0.227 4.531 4.320 -0.027 0.000 0.233 28 A C -1.629 175.972 177.584 0.028 0.000 1.060 28 A CA -0.815 51.238 52.037 0.026 0.000 0.759 28 A CB -1.405 17.610 19.000 0.026 0.000 0.995 28 A HN 0.470 nan 8.150 nan 0.000 0.506 29 P HA 0.197 nan 4.420 nan 0.000 0.267 29 P C -1.036 176.290 177.300 0.043 0.000 1.205 29 P CA 0.070 63.201 63.100 0.051 0.000 0.765 29 P CB 0.788 32.536 31.700 0.079 0.000 0.828 30 D N 1.515 121.939 120.400 0.039 0.000 2.654 30 D HA 0.375 4.998 4.640 -0.027 0.000 0.255 30 D C 0.732 177.063 176.300 0.052 0.000 1.101 30 D CA -1.085 52.938 54.000 0.038 0.000 1.116 30 D CB 0.368 41.185 40.800 0.028 0.000 1.348 30 D HN 0.177 nan 8.370 nan 0.000 0.609 31 A N -0.659 122.192 122.820 0.053 0.000 2.168 31 A HA -0.012 4.292 4.320 -0.027 0.000 0.215 31 A C 1.779 179.420 177.584 0.096 0.000 1.152 31 A CA 0.759 52.837 52.037 0.069 0.000 0.716 31 A CB -0.483 18.551 19.000 0.057 0.000 0.794 31 A HN 0.297 nan 8.150 nan 0.000 0.465 32 R N -0.461 120.089 120.500 0.083 0.000 2.317 32 R HA 0.161 4.485 4.340 -0.027 0.000 0.208 32 R C 0.825 177.173 176.300 0.079 0.000 0.914 32 R CA -0.002 56.166 56.100 0.113 0.000 1.060 32 R CB -0.349 29.997 30.300 0.077 0.000 1.015 32 R HN 0.458 nan 8.270 nan 0.000 0.498 33 R N 0.535 121.056 120.500 0.035 0.000 2.347 33 R HA 0.200 4.523 4.340 -0.027 0.000 0.304 33 R C -1.040 175.212 176.300 -0.080 0.000 1.072 33 R CA 0.032 56.089 56.100 -0.071 0.000 0.980 33 R CB 0.843 31.098 30.300 -0.075 0.000 0.986 33 R HN -0.048 nan 8.270 nan 0.000 0.448 34 V N 6.374 126.142 119.914 -0.244 0.000 2.588 34 V HA 0.387 4.490 4.120 -0.027 0.000 0.304 34 V C -1.615 174.289 176.094 -0.318 0.000 1.042 34 V CA -0.725 61.417 62.300 -0.264 0.000 0.877 34 V CB 1.549 32.975 31.823 -0.662 0.000 0.996 34 V HN 0.705 nan 8.190 nan 0.000 0.425 35 Y N 4.993 125.240 120.300 -0.088 0.000 2.367 35 Y HA 0.593 5.126 4.550 -0.028 0.000 0.342 35 Y C 0.294 176.182 175.900 -0.021 0.000 0.979 35 Y CA -0.502 57.574 58.100 -0.040 0.000 1.161 35 Y CB 1.703 40.152 38.460 -0.019 0.000 1.155 35 Y HN 0.431 nan 8.280 nan 0.000 0.503 36 V N 4.327 124.312 119.914 0.119 0.000 2.435 36 V HA 0.323 4.426 4.120 -0.027 0.000 0.290 36 V C -0.527 175.694 176.094 0.213 0.000 1.030 36 V CA -1.004 61.364 62.300 0.114 0.000 0.881 36 V CB 1.530 33.361 31.823 0.013 0.000 0.983 36 V HN 0.704 nan 8.190 nan 0.000 0.445 37 N N 2.619 121.404 118.700 0.142 0.000 2.400 37 N HA 0.445 5.168 4.740 -0.027 0.000 0.288 37 N C -1.077 174.483 175.510 0.083 0.000 1.024 37 N CA -0.512 52.611 53.050 0.121 0.000 0.894 37 N CB 1.415 39.947 38.487 0.075 0.000 1.173 37 N HN 0.723 nan 8.380 nan 0.000 0.487 38 D N 2.449 122.914 120.400 0.108 0.000 2.461 38 D HA 0.285 4.909 4.640 -0.027 0.000 0.240 38 D C -1.894 174.392 176.300 -0.023 0.000 1.094 38 D CA -2.294 51.730 54.000 0.040 0.000 0.868 38 D CB 1.341 42.247 40.800 0.175 0.000 1.062 38 D HN 0.277 nan 8.370 nan 0.000 0.530 39 P HA -0.051 nan 4.420 nan 0.000 0.228 39 P C 0.517 177.711 177.300 -0.175 0.000 1.151 39 P CA 0.853 63.855 63.100 -0.163 0.000 0.770 39 P CB -0.041 31.502 31.700 -0.261 0.000 0.786 40 A N -0.234 122.462 122.820 -0.207 0.000 2.799 40 A HA -0.244 4.060 4.320 -0.027 0.000 0.287 40 A C 0.418 177.917 177.584 -0.141 0.000 1.484 40 A CA 1.222 53.185 52.037 -0.124 0.000 0.813 40 A CB -2.965 16.055 19.000 0.033 0.000 1.009 40 A HN 0.497 nan 8.150 nan 0.000 0.545 41 H N -3.465 115.452 119.070 -0.255 0.000 2.826 41 H HA -0.223 4.316 4.556 -0.028 0.000 0.306 41 H C 0.524 175.700 175.328 -0.253 0.000 1.235 41 H CA 1.596 57.401 56.048 -0.404 0.000 1.150 41 H CB -2.097 27.541 29.762 -0.206 0.000 1.409 41 H HN 1.615 nan 8.280 nan 0.000 0.420 42 F N -4.045 115.944 119.950 0.066 0.000 2.926 42 F HA -0.213 4.296 4.527 -0.028 0.000 0.288 42 F C 1.336 177.277 175.800 0.236 0.000 0.756 42 F CA 0.233 58.337 58.000 0.174 0.000 1.292 42 F CB -1.908 37.201 39.000 0.183 0.000 1.482 42 F HN 0.535 nan 8.300 nan 0.000 0.400 43 A N 0.308 123.285 122.820 0.261 0.000 2.386 43 A HA 0.691 4.994 4.320 -0.027 0.000 0.248 43 A C 1.431 179.166 177.584 0.250 0.000 1.082 43 A CA 0.202 52.334 52.037 0.158 0.000 0.789 43 A CB 0.524 19.541 19.000 0.029 0.000 1.025 43 A HN 0.998 nan 8.150 nan 0.000 0.490 44 A N 0.972 123.867 122.820 0.125 0.000 2.172 44 A HA 0.338 4.641 4.320 -0.027 0.000 0.216 44 A C 0.845 178.549 177.584 0.200 0.000 1.154 44 A CA 1.504 53.623 52.037 0.137 0.000 0.701 44 A CB -0.967 18.013 19.000 -0.034 0.000 0.789 44 A HN 1.880 nan 8.150 nan 0.000 0.465 45 V N -3.367 116.630 119.914 0.138 0.000 2.841 45 V HA 0.808 4.912 4.120 -0.027 0.000 0.310 45 V C -0.571 175.576 176.094 0.088 0.000 1.090 45 V CA -0.105 62.262 62.300 0.111 0.000 0.930 45 V CB 1.361 33.232 31.823 0.079 0.000 1.014 45 V HN 0.409 nan 8.190 nan 0.000 0.425 46 T N 1.169 115.762 114.554 0.065 0.000 2.865 46 T HA 0.796 5.130 4.350 -0.027 0.000 0.294 46 T C -0.877 173.832 174.700 0.014 0.000 1.119 46 T CA -0.829 61.300 62.100 0.048 0.000 1.007 46 T CB 2.277 71.156 68.868 0.018 0.000 1.225 46 T HN 0.861 nan 8.240 nan 0.000 0.515 47 Q N 0.053 119.848 119.800 -0.009 0.000 2.423 47 Q HA 0.556 4.880 4.340 -0.027 0.000 0.278 47 Q C -1.343 174.541 176.000 -0.193 0.000 1.097 47 Q CA -0.917 54.785 55.803 -0.168 0.000 0.809 47 Q CB 2.892 31.439 28.738 -0.318 0.000 1.391 47 Q HN 0.776 nan 8.270 nan 0.000 0.428 48 Q N 1.596 121.206 119.800 -0.316 0.000 2.337 48 Q HA 0.510 4.834 4.340 -0.027 0.000 0.270 48 Q C -1.726 174.031 176.000 -0.404 0.000 1.043 48 Q CA -0.493 55.210 55.803 -0.166 0.000 0.794 48 Q CB 1.051 29.767 28.738 -0.038 0.000 1.281 48 Q HN 0.475 nan 8.270 nan 0.000 0.446 49 F N 2.230 122.148 119.950 -0.054 0.000 2.420 49 F HA 0.447 4.959 4.527 -0.025 0.000 0.342 49 F C -0.278 175.437 175.800 -0.140 0.000 1.113 49 F CA -0.807 57.135 58.000 -0.097 0.000 1.059 49 F CB 1.830 40.762 39.000 -0.114 0.000 1.128 49 F HN 0.280 nan 8.300 nan 0.000 0.475 50 V N 5.551 125.415 119.914 -0.083 0.000 2.350 50 V HA 0.406 4.509 4.120 -0.027 0.000 0.276 50 V C 0.122 176.084 176.094 -0.219 0.000 1.028 50 V CA -0.526 61.610 62.300 -0.273 0.000 0.860 50 V CB 0.886 32.558 31.823 -0.252 0.000 0.990 50 V HN 0.556 nan 8.190 nan 0.000 0.453 51 I N 3.441 123.855 120.570 -0.260 0.000 2.693 51 I HA 0.446 4.599 4.170 -0.027 0.000 0.303 51 I C -0.520 175.486 176.117 -0.185 0.000 1.025 51 I CA -0.657 60.534 61.300 -0.182 0.000 1.086 51 I CB 2.300 40.191 38.000 -0.183 0.000 1.268 51 I HN 0.484 nan 8.210 nan 0.000 0.440 52 D N 3.538 123.865 120.400 -0.121 0.000 2.443 52 D HA 0.207 4.830 4.640 -0.027 0.000 0.221 52 D C 0.979 177.246 176.300 -0.054 0.000 1.097 52 D CA -0.381 53.570 54.000 -0.081 0.000 0.865 52 D CB 1.689 42.455 40.800 -0.057 0.000 1.034 52 D HN 0.713 nan 8.370 nan 0.000 0.511 53 G N 3.431 112.215 108.800 -0.027 0.000 2.448 53 G HA2 -0.275 3.669 3.960 -0.027 0.000 0.219 53 G HA3 -0.275 3.669 3.960 -0.027 0.000 0.219 53 G C 1.267 176.215 174.900 0.081 0.000 1.127 53 G CA 0.559 45.692 45.100 0.055 0.000 0.766 53 G HN 0.487 nan 8.290 nan 0.000 0.552 54 E N 1.076 121.307 120.200 0.052 0.000 2.015 54 E HA 0.074 4.407 4.350 -0.027 0.000 0.191 54 E C 2.648 179.254 176.600 0.010 0.000 0.991 54 E CA 1.469 57.889 56.400 0.033 0.000 0.802 54 E CB -0.528 29.185 29.700 0.022 0.000 0.759 54 E HN 0.238 nan 8.360 nan 0.000 0.447 55 A N -0.670 122.148 122.820 -0.005 0.000 2.123 55 A HA 0.299 4.603 4.320 -0.027 0.000 0.214 55 A C 1.585 179.153 177.584 -0.027 0.000 1.152 55 A CA 0.949 52.976 52.037 -0.016 0.000 0.728 55 A CB -0.629 18.359 19.000 -0.020 0.000 0.814 55 A HN 0.514 nan 8.150 nan 0.000 0.464 56 G N -0.671 108.110 108.800 -0.032 0.000 2.272 56 G HA2 -0.253 3.691 3.960 -0.027 0.000 0.280 56 G HA3 -0.253 3.691 3.960 -0.027 0.000 0.280 56 G C 0.042 174.902 174.900 -0.067 0.000 1.067 56 G CA 0.473 45.540 45.100 -0.054 0.000 0.902 56 G HN 0.767 nan 8.290 nan 0.000 0.500 57 R N -0.213 120.249 120.500 -0.064 0.000 2.480 57 R HA 0.556 4.880 4.340 -0.027 0.000 0.306 57 R C 0.167 176.428 176.300 -0.065 0.000 0.958 57 R CA -0.787 55.277 56.100 -0.060 0.000 0.861 57 R CB 1.540 31.812 30.300 -0.046 0.000 1.171 57 R HN 0.087 nan 8.270 nan 0.000 0.445 58 V N 6.964 126.846 119.914 -0.053 0.000 2.521 58 V HA 0.052 4.155 4.120 -0.027 0.000 0.286 58 V C 1.247 177.317 176.094 -0.039 0.000 1.034 58 V CA 0.359 62.640 62.300 -0.032 0.000 1.045 58 V CB 0.942 32.779 31.823 0.024 0.000 0.974 58 V HN 0.766 nan 8.190 nan 0.000 0.480 59 I N 1.871 122.405 120.570 -0.060 0.000 4.081 59 I HA 0.750 4.903 4.170 -0.027 0.000 0.333 59 I C 0.596 176.676 176.117 -0.063 0.000 1.413 59 I CA 0.082 61.347 61.300 -0.059 0.000 1.110 59 I CB 0.532 38.491 38.000 -0.069 0.000 1.082 59 I HN 0.641 nan 8.210 nan 0.000 0.402 60 G N 1.002 109.759 108.800 -0.071 0.000 2.349 60 G HA2 0.591 4.534 3.960 -0.027 0.000 0.294 60 G HA3 0.591 4.534 3.960 -0.027 0.000 0.294 60 G C -1.603 173.224 174.900 -0.122 0.000 1.380 60 G CA -0.791 44.258 45.100 -0.085 0.000 0.811 60 G HN 0.063 nan 8.290 nan 0.000 0.519 61 M N -0.833 118.670 119.600 -0.163 0.000 2.721 61 M HA 0.663 5.127 4.480 -0.027 0.000 0.271 61 M C -1.644 174.502 176.300 -0.258 0.000 1.259 61 M CA -0.593 54.549 55.300 -0.263 0.000 0.835 61 M CB 2.807 35.208 32.600 -0.332 0.000 1.689 61 M HN 0.420 nan 8.290 nan 0.000 0.470 62 I N 0.219 120.608 120.570 -0.303 0.000 2.802 62 I HA 0.367 4.521 4.170 -0.027 0.000 0.298 62 I C -1.332 174.678 176.117 -0.180 0.000 1.176 62 I CA -0.376 60.736 61.300 -0.314 0.000 1.025 62 I CB 2.351 40.038 38.000 -0.523 0.000 1.243 62 I HN 0.486 nan 8.210 nan 0.000 0.424 63 D N 3.027 123.393 120.400 -0.056 0.000 2.228 63 D HA 0.739 5.363 4.640 -0.027 0.000 0.247 63 D C -0.151 176.229 176.300 0.133 0.000 0.995 63 D CA -0.094 53.916 54.000 0.016 0.000 0.903 63 D CB 2.224 43.049 40.800 0.041 0.000 1.205 63 D HN 0.709 nan 8.370 nan 0.000 0.459 64 G N -0.849 107.991 108.800 0.066 0.000 2.866 64 G HA2 0.598 4.542 3.960 -0.027 0.000 0.289 64 G HA3 0.598 4.542 3.960 -0.027 0.000 0.289 64 G C -0.135 174.779 174.900 0.023 0.000 1.396 64 G CA -0.533 44.568 45.100 0.003 0.000 0.848 64 G HN 0.448 nan 8.290 nan 0.000 0.515 65 G N -1.078 107.717 108.800 -0.008 0.000 2.714 65 G HA2 0.453 4.397 3.960 -0.027 0.000 0.197 65 G HA3 0.453 4.397 3.960 -0.027 0.000 0.197 65 G C -0.763 174.223 174.900 0.144 0.000 1.449 65 G CA -0.642 44.516 45.100 0.096 0.000 1.065 65 G HN 0.580 nan 8.290 nan 0.000 0.575 66 F N 0.293 120.262 119.950 0.032 0.000 2.472 66 F HA 0.426 4.936 4.527 -0.029 0.000 0.364 66 F C 0.538 176.337 175.800 -0.002 0.000 1.090 66 F CA -1.318 56.721 58.000 0.065 0.000 1.188 66 F CB 0.460 39.579 39.000 0.197 0.000 1.105 66 F HN 0.191 nan 8.300 nan 0.000 0.536 67 L N 6.222 127.241 121.223 -0.340 0.000 3.762 67 L HA -0.189 4.134 4.340 -0.027 0.000 0.460 67 L C -2.156 174.539 176.870 -0.293 0.000 1.255 67 L CA 0.121 54.706 54.840 -0.426 0.000 0.783 67 L CB -1.868 39.667 42.059 -0.872 0.000 1.600 67 L HN 0.519 nan 8.230 nan 0.000 0.862 68 P HA 0.158 nan 4.420 nan 0.000 0.276 68 P C -0.453 176.765 177.300 -0.136 0.000 1.261 68 P CA -0.349 62.617 63.100 -0.224 0.000 0.800 68 P CB 0.773 32.279 31.700 -0.322 0.000 1.066 69 N N 1.372 120.012 118.700 -0.101 0.000 2.518 69 N HA 0.292 5.016 4.740 -0.027 0.000 0.254 69 N C -2.424 173.091 175.510 0.008 0.000 0.979 69 N CA -1.426 51.597 53.050 -0.045 0.000 0.930 69 N CB 1.451 39.914 38.487 -0.040 0.000 1.152 69 N HN 0.334 nan 8.380 nan 0.000 0.505 70 P HA 0.204 nan 4.420 nan 0.000 0.278 70 P C -0.573 176.703 177.300 -0.040 0.000 1.238 70 P CA -0.265 62.850 63.100 0.025 0.000 0.794 70 P CB 1.787 33.497 31.700 0.016 0.000 0.955 71 V N 3.516 123.405 119.914 -0.042 0.000 2.808 71 V HA 0.307 4.410 4.120 -0.027 0.000 0.308 71 V C -0.635 175.382 176.094 -0.128 0.000 1.099 71 V CA -0.779 61.479 62.300 -0.070 0.000 0.920 71 V CB 2.742 34.574 31.823 0.015 0.000 1.014 71 V HN 0.262 nan 8.190 nan 0.000 0.425 72 V N 4.722 124.519 119.914 -0.194 0.000 2.487 72 V HA 0.714 4.817 4.120 -0.027 0.000 0.298 72 V C 0.414 176.343 176.094 -0.275 0.000 1.028 72 V CA -0.520 61.597 62.300 -0.304 0.000 0.860 72 V CB 1.884 33.449 31.823 -0.431 0.000 0.991 72 V HN 1.058 nan 8.190 nan 0.000 0.427 73 A N 3.117 125.655 122.820 -0.469 0.000 2.488 73 A HA 0.230 4.533 4.320 -0.027 0.000 0.249 73 A C 1.096 178.535 177.584 -0.241 0.000 1.083 73 A CA -0.167 51.570 52.037 -0.500 0.000 0.768 73 A CB 0.020 18.407 19.000 -1.022 0.000 1.017 73 A HN 0.886 nan 8.150 nan 0.000 0.496 74 D N 1.155 121.480 120.400 -0.124 0.000 2.221 74 D HA -0.162 4.462 4.640 -0.027 0.000 0.204 74 D C 1.061 177.334 176.300 -0.046 0.000 0.982 74 D CA 1.804 55.773 54.000 -0.051 0.000 0.857 74 D CB 0.083 40.874 40.800 -0.014 0.000 0.934 74 D HN 0.818 nan 8.370 nan 0.000 0.475 75 D N -0.751 119.607 120.400 -0.071 0.000 2.340 75 D HA 0.045 4.668 4.640 -0.027 0.000 0.220 75 D C 1.411 177.690 176.300 -0.036 0.000 1.039 75 D CA 0.783 54.760 54.000 -0.038 0.000 0.866 75 D CB -0.065 40.719 40.800 -0.028 0.000 0.913 75 D HN 0.178 nan 8.370 nan 0.000 0.523 76 G N 0.750 109.511 108.800 -0.066 0.000 2.153 76 G HA2 -0.359 3.585 3.960 -0.027 0.000 0.252 76 G HA3 -0.359 3.585 3.960 -0.027 0.000 0.252 76 G C 1.012 175.908 174.900 -0.007 0.000 0.994 76 G CA 0.868 45.955 45.100 -0.022 0.000 0.698 76 G HN 0.617 nan 8.290 nan 0.000 0.521 77 S N -0.925 114.750 115.700 -0.042 0.000 2.528 77 S HA 0.571 5.024 4.470 -0.027 0.000 0.219 77 S C 0.576 175.328 174.600 0.254 0.000 0.985 77 S CA 0.890 59.145 58.200 0.092 0.000 0.914 77 S CB -0.210 63.080 63.200 0.150 0.000 0.776 77 S HN 1.804 nan 8.310 nan 0.000 0.526 78 F N -0.372 119.606 119.950 0.047 0.000 2.807 78 F HA 0.737 5.249 4.527 -0.025 0.000 0.316 78 F C -1.466 174.352 175.800 0.029 0.000 1.162 78 F CA -2.016 56.014 58.000 0.050 0.000 0.910 78 F CB 0.780 39.803 39.000 0.038 0.000 1.314 78 F HN 0.062 nan 8.300 nan 0.000 0.454 79 I N -0.019 120.762 120.570 0.350 0.000 2.934 79 I HA 1.060 5.213 4.170 -0.027 0.000 0.306 79 I C -0.918 175.395 176.117 0.328 0.000 1.110 79 I CA -1.130 60.277 61.300 0.178 0.000 1.019 79 I CB 1.941 39.937 38.000 -0.008 0.000 1.227 79 I HN 1.146 nan 8.210 nan 0.000 0.434 80 A N 2.553 125.501 122.820 0.214 0.000 2.567 80 A HA 0.912 5.216 4.320 -0.027 0.000 0.289 80 A C -1.395 176.248 177.584 0.098 0.000 1.177 80 A CA -0.520 51.609 52.037 0.153 0.000 0.694 80 A CB 1.623 20.716 19.000 0.156 0.000 1.292 80 A HN 1.138 nan 8.150 nan 0.000 0.425 81 H N -1.851 117.289 119.070 0.117 0.000 3.037 81 H HA 0.749 5.288 4.556 -0.029 0.000 0.336 81 H C -0.748 174.530 175.328 -0.083 0.000 1.323 81 H CA -0.585 55.477 56.048 0.023 0.000 1.159 81 H CB 1.461 31.246 29.762 0.037 0.000 1.882 81 H HN 1.153 nan 8.280 nan 0.000 0.535 82 A N 1.627 124.466 122.820 0.032 0.000 2.305 82 A HA 0.618 4.921 4.320 -0.027 0.000 0.322 82 A C -0.337 177.017 177.584 -0.383 0.000 1.187 82 A CA -0.263 51.658 52.037 -0.193 0.000 0.825 82 A CB 1.615 20.485 19.000 -0.217 0.000 1.164 82 A HN 0.662 nan 8.150 nan 0.000 0.498 83 S N -0.044 115.229 115.700 -0.712 0.000 2.651 83 S HA 0.832 5.286 4.470 -0.027 0.000 0.279 83 S C -0.823 173.401 174.600 -0.627 0.000 1.148 83 S CA -0.348 57.390 58.200 -0.769 0.000 0.837 83 S CB 1.789 64.366 63.200 -1.039 0.000 1.138 83 S HN 0.845 nan 8.310 nan 0.000 0.478 84 T N 1.771 116.172 114.554 -0.254 0.000 2.881 84 T HA 0.679 5.012 4.350 -0.027 0.000 0.290 84 T C -0.779 173.897 174.700 -0.039 0.000 1.000 84 T CA -0.538 61.483 62.100 -0.131 0.000 0.978 84 T CB 1.210 70.036 68.868 -0.070 0.000 0.997 84 T HN 0.938 nan 8.240 nan 0.000 0.443 85 V N 0.078 119.905 119.914 -0.146 0.000 3.130 85 V HA 0.918 5.022 4.120 -0.027 0.000 0.310 85 V C -1.625 174.201 176.094 -0.446 0.000 1.158 85 V CA -1.253 60.982 62.300 -0.108 0.000 1.029 85 V CB 1.881 33.719 31.823 0.025 0.000 1.057 85 V HN 0.746 nan 8.190 nan 0.000 0.436 86 F N 0.327 120.291 119.950 0.023 0.000 2.565 86 F HA 0.585 5.095 4.527 -0.029 0.000 0.313 86 F C 1.469 177.259 175.800 -0.017 0.000 1.091 86 F CA -0.057 57.939 58.000 -0.006 0.000 0.915 86 F CB 2.604 41.584 39.000 -0.034 0.000 1.208 86 F HN 0.701 nan 8.300 nan 0.000 0.453 87 S N 0.708 116.496 115.700 0.145 0.000 2.419 87 S HA -0.039 4.414 4.470 -0.027 0.000 0.233 87 S C 1.029 175.666 174.600 0.061 0.000 1.016 87 S CA 0.921 59.163 58.200 0.071 0.000 0.974 87 S CB -0.129 63.098 63.200 0.044 0.000 0.786 87 S HN 0.471 nan 8.310 nan 0.000 0.492 88 R N 0.646 121.187 120.500 0.068 0.000 2.983 88 R HA 0.522 4.846 4.340 -0.027 0.000 0.300 88 R C 0.100 176.404 176.300 0.006 0.000 1.367 88 R CA -0.375 55.739 56.100 0.024 0.000 1.564 88 R CB -0.935 29.364 30.300 -0.001 0.000 1.314 88 R HN 0.377 nan 8.270 nan 0.000 0.622 89 I N -0.440 120.153 120.570 0.037 0.000 4.773 89 I HA -0.479 3.675 4.170 -0.027 0.000 0.042 89 I C 1.064 177.158 176.117 -0.037 0.000 0.630 89 I CA 2.555 63.864 61.300 0.015 0.000 0.606 89 I CB -1.179 36.801 38.000 -0.033 0.000 0.584 89 I HN 0.422 nan 8.210 nan 0.000 0.154 90 A N 1.000 123.696 122.820 -0.207 0.000 2.603 90 A HA 0.644 4.948 4.320 -0.027 0.000 0.277 90 A C 0.530 177.678 177.584 -0.726 0.000 1.158 90 A CA 0.416 52.134 52.037 -0.532 0.000 0.962 90 A CB 0.049 18.805 19.000 -0.406 0.000 1.189 90 A HN 0.595 nan 8.150 nan 0.000 0.552 91 R N -2.992 117.260 120.500 -0.414 0.000 2.766 91 R HA 0.754 5.077 4.340 -0.027 0.000 0.270 91 R C 0.375 176.651 176.300 -0.040 0.000 1.035 91 R CA -0.279 55.652 56.100 -0.281 0.000 0.911 91 R CB 0.135 30.324 30.300 -0.185 0.000 1.243 91 R HN 1.327 nan 8.270 nan 0.000 0.460 92 G N 0.483 109.298 108.800 0.026 0.000 2.451 92 G HA2 -0.183 3.761 3.960 -0.027 0.000 0.208 92 G HA3 -0.183 3.761 3.960 -0.027 0.000 0.208 92 G C -1.262 173.725 174.900 0.145 0.000 1.248 92 G CA -0.049 45.099 45.100 0.081 0.000 0.989 92 G HN 0.901 nan 8.290 nan 0.000 0.559 93 E N 0.444 120.714 120.200 0.117 0.000 2.259 93 E HA 0.456 4.789 4.350 -0.027 0.000 0.281 93 E C 0.639 177.289 176.600 0.082 0.000 1.037 93 E CA -0.561 55.889 56.400 0.084 0.000 0.854 93 E CB 0.560 30.280 29.700 0.033 0.000 1.051 93 E HN 0.600 nan 8.360 nan 0.000 0.409 94 R N 2.817 123.341 120.500 0.040 0.000 2.441 94 R HA 0.213 4.537 4.340 -0.027 0.000 0.284 94 R C -1.008 175.179 176.300 -0.188 0.000 1.070 94 R CA 0.043 56.027 56.100 -0.194 0.000 1.047 94 R CB 1.065 31.281 30.300 -0.140 0.000 1.016 94 R HN 0.441 nan 8.270 nan 0.000 0.477 95 T N 3.538 117.941 114.554 -0.251 0.000 2.881 95 T HA 0.228 4.562 4.350 -0.027 0.000 0.291 95 T C -1.431 173.241 174.700 -0.045 0.000 0.990 95 T CA -0.770 61.261 62.100 -0.115 0.000 0.976 95 T CB 1.398 70.207 68.868 -0.098 0.000 0.970 95 T HN 0.502 nan 8.240 nan 0.000 0.438 96 D N 2.483 122.852 120.400 -0.051 0.000 2.163 96 D HA 0.625 5.248 4.640 -0.027 0.000 0.248 96 D C -0.613 175.677 176.300 -0.016 0.000 1.035 96 D CA 0.049 53.987 54.000 -0.103 0.000 0.872 96 D CB 1.252 41.930 40.800 -0.205 0.000 1.183 96 D HN 0.596 nan 8.370 nan 0.000 0.445 97 Y N -1.534 118.657 120.300 -0.181 0.000 2.677 97 Y HA 0.648 5.193 4.550 -0.010 0.000 0.334 97 Y C -1.805 174.040 175.900 -0.090 0.000 1.196 97 Y CA -1.237 56.787 58.100 -0.128 0.000 1.059 97 Y CB 0.601 39.006 38.460 -0.092 0.000 1.315 97 Y HN 0.101 nan 8.280 nan 0.000 0.455 98 V N 1.804 121.723 119.914 0.008 0.000 2.555 98 V HA 0.513 4.617 4.120 -0.027 0.000 0.302 98 V C -0.730 175.410 176.094 0.077 0.000 1.038 98 V CA -0.672 61.616 62.300 -0.019 0.000 0.887 98 V CB 1.743 33.562 31.823 -0.007 0.000 0.991 98 V HN 0.842 nan 8.190 nan 0.000 0.434 99 E N 2.205 122.429 120.200 0.041 0.000 2.288 99 E HA 0.689 5.022 4.350 -0.027 0.000 0.268 99 E C -1.661 174.711 176.600 -0.380 0.000 0.885 99 E CA -0.626 55.669 56.400 -0.176 0.000 0.767 99 E CB 2.813 32.359 29.700 -0.256 0.000 1.220 99 E HN 0.403 nan 8.360 nan 0.000 0.427 100 V N 2.912 122.534 119.914 -0.487 0.000 2.628 100 V HA 0.535 4.638 4.120 -0.027 0.000 0.306 100 V C -0.982 174.808 176.094 -0.507 0.000 1.045 100 V CA -0.632 61.448 62.300 -0.366 0.000 0.905 100 V CB 1.039 32.673 31.823 -0.316 0.000 0.997 100 V HN 0.516 nan 8.190 nan 0.000 0.436 101 F N 1.482 121.416 119.950 -0.027 0.000 2.576 101 F HA 0.458 4.969 4.527 -0.027 0.000 0.313 101 F C -0.012 175.818 175.800 0.050 0.000 1.078 101 F CA -0.824 57.173 58.000 -0.004 0.000 0.921 101 F CB 1.662 40.651 39.000 -0.018 0.000 1.232 101 F HN 0.511 nan 8.300 nan 0.000 0.459 102 D N 3.545 124.078 120.400 0.221 0.000 2.302 102 D HA 0.196 4.819 4.640 -0.027 0.000 0.248 102 D C -2.024 174.382 176.300 0.176 0.000 1.094 102 D CA -2.130 51.972 54.000 0.169 0.000 0.897 102 D CB 2.003 42.869 40.800 0.110 0.000 1.200 102 D HN 0.248 nan 8.370 nan 0.000 0.429 103 P HA 0.053 nan 4.420 nan 0.000 0.267 103 P C 0.916 178.271 177.300 0.092 0.000 1.289 103 P CA -0.070 63.114 63.100 0.141 0.000 0.866 103 P CB 0.971 32.765 31.700 0.158 0.000 1.309 104 V N 0.824 120.785 119.914 0.079 0.000 2.627 104 V HA -0.062 4.042 4.120 -0.027 0.000 0.239 104 V C 2.745 178.866 176.094 0.044 0.000 1.077 104 V CA 2.487 64.818 62.300 0.052 0.000 1.103 104 V CB -0.927 30.925 31.823 0.049 0.000 0.802 104 V HN 0.213 nan 8.190 nan 0.000 0.482 105 T N -2.751 111.836 114.554 0.055 0.000 3.043 105 T HA 0.001 4.335 4.350 -0.027 0.000 0.263 105 T C 1.200 175.936 174.700 0.061 0.000 1.094 105 T CA 0.593 62.724 62.100 0.051 0.000 1.127 105 T CB 0.130 69.030 68.868 0.052 0.000 0.905 105 T HN 0.144 nan 8.240 nan 0.000 0.490 106 L N -0.865 120.410 121.223 0.087 0.000 4.884 106 L HA -0.109 4.214 4.340 -0.027 0.000 0.430 106 L C 0.224 177.217 176.870 0.203 0.000 1.087 106 L CA 0.441 55.337 54.840 0.093 0.000 1.033 106 L CB -1.973 40.083 42.059 -0.005 0.000 2.030 106 L HN 0.484 nan 8.230 nan 0.000 0.762 107 L N 0.545 121.880 121.223 0.186 0.000 2.395 107 L HA 0.387 4.711 4.340 -0.027 0.000 0.269 107 L C -1.708 175.276 176.870 0.191 0.000 1.133 107 L CA -1.765 53.184 54.840 0.183 0.000 0.812 107 L CB 0.513 42.625 42.059 0.089 0.000 1.125 107 L HN -0.172 nan 8.230 nan 0.000 0.452 108 P HA 0.140 nan 4.420 nan 0.000 0.280 108 P C -0.128 177.084 177.300 -0.148 0.000 1.244 108 P CA -0.192 62.780 63.100 -0.214 0.000 0.784 108 P CB 1.120 32.672 31.700 -0.246 0.000 0.913 109 T N 0.681 115.115 114.554 -0.199 0.000 3.023 109 T HA 0.417 4.751 4.350 -0.027 0.000 0.249 109 T C 0.400 175.013 174.700 -0.144 0.000 1.050 109 T CA 0.521 62.541 62.100 -0.134 0.000 1.088 109 T CB 0.168 68.968 68.868 -0.114 0.000 0.946 109 T HN 0.555 nan 8.240 nan 0.000 0.480 110 A N 0.594 123.299 122.820 -0.193 0.000 2.604 110 A HA 0.610 4.913 4.320 -0.027 0.000 0.295 110 A C -2.072 175.421 177.584 -0.153 0.000 1.067 110 A CA -0.686 51.263 52.037 -0.147 0.000 0.683 110 A CB 1.474 20.389 19.000 -0.141 0.000 1.281 110 A HN 0.068 nan 8.150 nan 0.000 0.407 111 D N 1.484 121.831 120.400 -0.089 0.000 2.602 111 D HA 0.545 5.169 4.640 -0.027 0.000 0.245 111 D C -1.590 174.706 176.300 -0.007 0.000 1.325 111 D CA 0.048 54.020 54.000 -0.046 0.000 0.952 111 D CB 1.053 41.805 40.800 -0.079 0.000 1.317 111 D HN 0.433 nan 8.370 nan 0.000 0.577 112 I N 2.384 122.980 120.570 0.043 0.000 2.436 112 I HA 0.212 4.365 4.170 -0.027 0.000 0.289 112 I C 0.500 176.659 176.117 0.069 0.000 1.010 112 I CA -0.714 60.614 61.300 0.048 0.000 1.098 112 I CB 2.194 40.228 38.000 0.057 0.000 1.266 112 I HN 0.145 nan 8.210 nan 0.000 0.434 113 E N 6.405 126.628 120.200 0.038 0.000 2.338 113 E HA 0.362 4.696 4.350 -0.027 0.000 0.272 113 E C -1.179 175.387 176.600 -0.057 0.000 1.029 113 E CA -0.479 55.924 56.400 0.006 0.000 0.872 113 E CB 1.115 30.800 29.700 -0.026 0.000 1.015 113 E HN 0.467 nan 8.360 nan 0.000 0.417 114 L N 6.848 127.986 121.223 -0.142 0.000 2.262 114 L HA 0.348 4.671 4.340 -0.027 0.000 0.288 114 L C -1.986 174.673 176.870 -0.352 0.000 1.035 114 L CA -2.147 52.490 54.840 -0.338 0.000 0.820 114 L CB 1.218 43.067 42.059 -0.351 0.000 1.204 114 L HN 0.312 nan 8.230 nan 0.000 0.424 115 P HA -0.015 nan 4.420 nan 0.000 0.265 115 P C -0.559 176.611 177.300 -0.218 0.000 1.193 115 P CA 0.206 63.137 63.100 -0.282 0.000 0.765 115 P CB 0.668 32.216 31.700 -0.253 0.000 0.823 116 D N 1.206 121.532 120.400 -0.123 0.000 2.907 116 D HA -0.188 4.436 4.640 -0.027 0.000 0.226 116 D C 0.294 176.558 176.300 -0.060 0.000 1.141 116 D CA 1.468 55.425 54.000 -0.071 0.000 0.779 116 D CB -2.114 38.655 40.800 -0.052 0.000 1.095 116 D HN 0.751 nan 8.370 nan 0.000 0.430 117 A N -0.849 121.921 122.820 -0.084 0.000 2.091 117 A HA -0.125 4.179 4.320 -0.027 0.000 0.270 117 A C -1.076 176.494 177.584 -0.024 0.000 1.368 117 A CA 0.983 52.980 52.037 -0.067 0.000 0.745 117 A CB -0.608 18.370 19.000 -0.036 0.000 1.173 117 A HN 0.310 nan 8.150 nan 0.000 0.322 118 P HA 0.080 nan 4.420 nan 0.000 0.282 118 P C 0.425 177.806 177.300 0.136 0.000 1.327 118 P CA -0.071 63.075 63.100 0.077 0.000 0.949 118 P CB 0.339 32.115 31.700 0.126 0.000 1.445 119 R N 0.317 120.821 120.500 0.006 0.000 2.756 119 R HA 0.138 4.461 4.340 -0.027 0.000 0.264 119 R C -0.102 176.324 176.300 0.211 0.000 1.026 119 R CA -0.001 56.122 56.100 0.039 0.000 1.121 119 R CB 0.007 30.232 30.300 -0.125 0.000 0.999 119 R HN 0.066 nan 8.270 nan 0.000 0.449 120 F N 3.175 123.179 119.950 0.091 0.000 2.411 120 F HA 0.261 4.771 4.527 -0.029 0.000 0.355 120 F C -0.511 175.291 175.800 0.003 0.000 1.117 120 F CA -1.243 56.819 58.000 0.103 0.000 1.139 120 F CB 0.443 39.580 39.000 0.228 0.000 1.120 120 F HN 0.247 nan 8.300 nan 0.000 0.493 121 L N 7.957 129.108 121.223 -0.120 0.000 2.264 121 L HA 0.544 4.868 4.340 -0.027 0.000 0.287 121 L C -0.892 175.608 176.870 -0.616 0.000 1.039 121 L CA -0.693 53.947 54.840 -0.335 0.000 0.829 121 L CB 0.741 42.743 42.059 -0.094 0.000 1.211 121 L HN 0.422 nan 8.230 nan 0.000 0.427 122 V N 0.099 119.578 119.914 -0.725 0.000 3.078 122 V HA 0.679 4.782 4.120 -0.027 0.000 0.311 122 V C 0.608 176.459 176.094 -0.405 0.000 1.138 122 V CA -1.059 60.801 62.300 -0.733 0.000 1.007 122 V CB 1.407 32.576 31.823 -1.090 0.000 1.045 122 V HN 0.683 nan 8.190 nan 0.000 0.432 123 G N 0.729 109.449 108.800 -0.134 0.000 2.464 123 G HA2 0.304 4.248 3.960 -0.027 0.000 0.231 123 G HA3 0.304 4.248 3.960 -0.027 0.000 0.231 123 G C 0.168 175.057 174.900 -0.019 0.000 1.267 123 G CA 0.190 45.360 45.100 0.116 0.000 0.863 123 G HN 0.858 nan 8.290 nan 0.000 0.559 124 T N 2.418 117.078 114.554 0.176 0.000 2.779 124 T HA 0.246 4.580 4.350 -0.027 0.000 0.296 124 T C -0.794 174.146 174.700 0.399 0.000 0.938 124 T CA 0.483 62.664 62.100 0.136 0.000 1.119 124 T CB 0.178 69.120 68.868 0.124 0.000 0.891 124 T HN 0.301 nan 8.240 nan 0.000 0.526 125 Y N 4.168 124.553 120.300 0.141 0.000 2.402 125 Y HA 0.329 4.864 4.550 -0.026 0.000 0.332 125 Y C -1.813 174.072 175.900 -0.024 0.000 0.960 125 Y CA -3.485 54.622 58.100 0.011 0.000 1.228 125 Y CB 0.929 39.326 38.460 -0.105 0.000 1.120 125 Y HN 0.489 nan 8.280 nan 0.000 0.491 126 P HA -0.185 nan 4.420 nan 0.000 0.216 126 P C 0.405 177.385 177.300 -0.532 0.000 1.150 126 P CA 1.771 64.740 63.100 -0.219 0.000 0.843 126 P CB 0.129 31.676 31.700 -0.255 0.000 0.787 127 W N -1.537 119.866 121.300 0.172 0.000 3.387 127 W HA 0.228 4.873 4.660 -0.025 0.000 0.403 127 W C 1.303 177.820 176.519 -0.004 0.000 1.073 127 W CA -0.116 57.275 57.345 0.077 0.000 1.866 127 W CB -0.343 29.138 29.460 0.035 0.000 0.981 127 W HN -0.088 nan 8.180 nan 0.000 0.802 128 M N -0.484 119.142 119.600 0.044 0.000 2.333 128 M HA 0.211 4.675 4.480 -0.027 0.000 0.257 128 M C -0.086 176.289 176.300 0.125 0.000 1.078 128 M CA 0.869 56.217 55.300 0.080 0.000 1.005 128 M CB 0.073 32.764 32.600 0.151 0.000 1.444 128 M HN -0.344 nan 8.290 nan 0.000 0.496 129 T N 0.006 114.591 114.554 0.052 0.000 3.032 129 T HA 0.511 4.845 4.350 -0.027 0.000 0.312 129 T C -0.747 173.960 174.700 0.011 0.000 1.078 129 T CA -0.440 61.712 62.100 0.086 0.000 1.028 129 T CB 2.425 71.350 68.868 0.095 0.000 1.091 129 T HN -0.055 nan 8.240 nan 0.000 0.457 130 S N 2.010 117.755 115.700 0.074 0.000 2.536 130 S HA 0.639 5.092 4.470 -0.027 0.000 0.271 130 S C -1.346 173.359 174.600 0.175 0.000 1.134 130 S CA -0.721 57.563 58.200 0.140 0.000 0.897 130 S CB 1.607 64.979 63.200 0.288 0.000 1.094 130 S HN 0.478 nan 8.310 nan 0.000 0.473 131 L N 3.099 124.448 121.223 0.210 0.000 2.350 131 L HA 0.507 4.830 4.340 -0.027 0.000 0.275 131 L C 1.026 178.045 176.870 0.249 0.000 1.099 131 L CA 0.122 55.091 54.840 0.215 0.000 0.808 131 L CB 0.996 43.166 42.059 0.185 0.000 1.149 131 L HN 0.927 nan 8.230 nan 0.000 0.442 132 T N 1.383 116.078 114.554 0.235 0.000 2.813 132 T HA 0.265 4.598 4.350 -0.027 0.000 0.297 132 T C -1.799 173.025 174.700 0.205 0.000 1.036 132 T CA -1.184 61.062 62.100 0.244 0.000 1.044 132 T CB 0.585 69.593 68.868 0.234 0.000 0.993 132 T HN 0.581 nan 8.240 nan 0.000 0.535 133 P HA -0.029 nan 4.420 nan 0.000 0.229 133 P C 0.682 178.048 177.300 0.109 0.000 1.160 133 P CA 0.833 64.015 63.100 0.137 0.000 0.777 133 P CB -0.014 31.760 31.700 0.123 0.000 0.814 134 D N -0.590 119.880 120.400 0.117 0.000 2.317 134 D HA 0.013 4.637 4.640 -0.027 0.000 0.211 134 D C 1.584 177.965 176.300 0.135 0.000 0.966 134 D CA 1.028 55.091 54.000 0.105 0.000 0.876 134 D CB -1.145 39.712 40.800 0.096 0.000 0.927 134 D HN 0.246 nan 8.370 nan 0.000 0.519 135 G N 0.487 109.391 108.800 0.173 0.000 2.143 135 G HA2 -0.341 3.603 3.960 -0.027 0.000 0.249 135 G HA3 -0.341 3.603 3.960 -0.027 0.000 0.249 135 G C 0.849 175.939 174.900 0.316 0.000 0.981 135 G CA 0.407 45.668 45.100 0.268 0.000 0.665 135 G HN 0.465 nan 8.290 nan 0.000 0.528 136 K N -0.266 120.254 120.400 0.200 0.000 2.358 136 K HA 0.249 4.553 4.320 -0.027 0.000 0.197 136 K C 0.334 177.010 176.600 0.127 0.000 1.025 136 K CA 0.677 57.049 56.287 0.141 0.000 1.104 136 K CB 0.705 33.269 32.500 0.106 0.000 0.855 136 K HN 0.290 nan 8.250 nan 0.000 0.531 137 T N 0.964 115.616 114.554 0.163 0.000 2.933 137 T HA 0.395 4.729 4.350 -0.027 0.000 0.305 137 T C -1.623 173.172 174.700 0.159 0.000 1.092 137 T CA -0.680 61.508 62.100 0.146 0.000 1.008 137 T CB 2.013 70.989 68.868 0.180 0.000 1.102 137 T HN 0.039 nan 8.240 nan 0.000 0.469 138 L N 3.764 125.068 121.223 0.134 0.000 2.346 138 L HA 0.832 5.155 4.340 -0.027 0.000 0.274 138 L C -1.808 175.127 176.870 0.108 0.000 1.007 138 L CA -0.813 54.116 54.840 0.148 0.000 0.818 138 L CB 0.989 43.149 42.059 0.168 0.000 1.284 138 L HN 0.591 nan 8.230 nan 0.000 0.424 139 L N 5.094 126.353 121.223 0.059 0.000 2.386 139 L HA 0.634 4.958 4.340 -0.027 0.000 0.271 139 L C -1.029 175.836 176.870 -0.009 0.000 0.993 139 L CA -0.573 54.199 54.840 -0.114 0.000 0.819 139 L CB 1.844 43.725 42.059 -0.296 0.000 1.294 139 L HN 0.625 nan 8.230 nan 0.000 0.414 140 F N 0.629 120.553 119.950 -0.042 0.000 2.599 140 F HA 0.586 5.099 4.527 -0.023 0.000 0.311 140 F C -1.193 174.651 175.800 0.074 0.000 1.076 140 F CA -1.290 56.728 58.000 0.030 0.000 0.937 140 F CB 0.951 39.978 39.000 0.044 0.000 1.282 140 F HN 0.291 nan 8.300 nan 0.000 0.460 141 Y N 2.440 122.836 120.300 0.159 0.000 2.299 141 Y HA 0.437 4.971 4.550 -0.027 0.000 0.326 141 Y C -0.423 175.609 175.900 0.220 0.000 1.164 141 Y CA -0.338 57.818 58.100 0.094 0.000 1.234 141 Y CB 1.162 39.716 38.460 0.158 0.000 1.219 141 Y HN 0.854 nan 8.280 nan 0.000 0.497 142 Q N 5.610 125.005 119.800 -0.674 0.000 2.337 142 Q HA 0.237 4.561 4.340 -0.027 0.000 0.270 142 Q C -1.152 174.315 176.000 -0.888 0.000 1.043 142 Q CA -0.542 55.007 55.803 -0.423 0.000 0.794 142 Q CB 1.233 29.845 28.738 -0.210 0.000 1.281 142 Q HN 0.877 nan 8.270 nan 0.000 0.446 143 F N 2.176 121.692 119.950 -0.724 0.000 2.500 143 F HA 0.372 4.882 4.527 -0.029 0.000 0.285 143 F C 0.128 175.757 175.800 -0.285 0.000 1.088 143 F CA 0.195 57.818 58.000 -0.629 0.000 1.432 143 F CB 1.130 39.538 39.000 -0.986 0.000 1.131 143 F HN 0.438 nan 8.300 nan 0.000 0.582 144 S N 0.882 116.532 115.700 -0.083 0.000 2.536 144 S HA 0.451 4.905 4.470 -0.027 0.000 0.287 144 S C -2.195 172.379 174.600 -0.043 0.000 1.101 144 S CA -1.361 56.793 58.200 -0.078 0.000 0.950 144 S CB 1.622 64.917 63.200 0.159 0.000 1.056 144 S HN 0.062 nan 8.310 nan 0.000 0.481 145 P HA 0.362 nan 4.420 nan 0.000 0.249 145 P C -0.272 176.936 177.300 -0.152 0.000 1.229 145 P CA 0.104 63.153 63.100 -0.084 0.000 0.788 145 P CB 0.105 31.780 31.700 -0.042 0.000 1.072 146 A N 0.500 123.196 122.820 -0.207 0.000 2.594 146 A HA 0.556 4.860 4.320 -0.027 0.000 0.296 146 A C -3.146 174.274 177.584 -0.275 0.000 1.056 146 A CA -1.333 50.575 52.037 -0.216 0.000 0.693 146 A CB 0.714 19.633 19.000 -0.135 0.000 1.278 146 A HN -0.206 nan 8.150 nan 0.000 0.408 147 P HA 0.425 nan 4.420 nan 0.000 0.264 147 P C -0.240 176.901 177.300 -0.266 0.000 1.193 147 P CA 0.615 63.522 63.100 -0.321 0.000 0.763 147 P CB 1.146 32.730 31.700 -0.193 0.000 0.810 148 A N 2.884 125.484 122.820 -0.367 0.000 2.608 148 A HA 0.602 4.906 4.320 -0.027 0.000 0.292 148 A C -1.221 176.186 177.584 -0.295 0.000 1.066 148 A CA -0.587 51.305 52.037 -0.242 0.000 0.676 148 A CB 1.780 20.659 19.000 -0.202 0.000 1.277 148 A HN 0.437 nan 8.150 nan 0.000 0.413 149 V N 0.379 120.141 119.914 -0.253 0.000 2.709 149 V HA 0.930 5.033 4.120 -0.027 0.000 0.308 149 V C 0.146 175.933 176.094 -0.513 0.000 1.062 149 V CA 0.455 62.518 62.300 -0.395 0.000 0.901 149 V CB 1.527 33.134 31.823 -0.360 0.000 1.003 149 V HN 1.883 nan 8.190 nan 0.000 0.425 150 G N 3.673 111.938 108.800 -0.892 0.000 2.412 150 G HA2 0.626 4.569 3.960 -0.027 0.000 0.318 150 G HA3 0.626 4.569 3.960 -0.027 0.000 0.318 150 G C -1.099 173.459 174.900 -0.571 0.000 1.146 150 G CA -0.707 43.965 45.100 -0.715 0.000 0.882 150 G HN 1.146 nan 8.290 nan 0.000 0.501 151 V N 1.230 120.909 119.914 -0.391 0.000 2.409 151 V HA 0.385 4.488 4.120 -0.027 0.000 0.291 151 V C -0.330 175.648 176.094 -0.193 0.000 1.020 151 V CA -0.640 61.474 62.300 -0.309 0.000 0.848 151 V CB 1.525 33.112 31.823 -0.393 0.000 0.990 151 V HN 0.500 nan 8.190 nan 0.000 0.430 152 V N 3.578 123.502 119.914 0.017 0.000 2.384 152 V HA 0.335 4.438 4.120 -0.027 0.000 0.287 152 V C -0.156 175.967 176.094 0.048 0.000 1.020 152 V CA -0.576 61.779 62.300 0.091 0.000 0.850 152 V CB 1.859 33.822 31.823 0.233 0.000 0.987 152 V HN 0.914 nan 8.190 nan 0.000 0.436 153 D N 4.478 124.889 120.400 0.018 0.000 2.359 153 D HA 0.161 4.785 4.640 -0.027 0.000 0.250 153 D C 0.908 177.217 176.300 0.015 0.000 1.264 153 D CA 0.104 54.117 54.000 0.022 0.000 0.911 153 D CB 0.955 41.759 40.800 0.007 0.000 1.056 153 D HN 0.471 nan 8.370 nan 0.000 0.499 154 L N 2.714 123.941 121.223 0.006 0.000 2.478 154 L HA 0.027 4.351 4.340 -0.027 0.000 0.223 154 L C 2.094 178.917 176.870 -0.079 0.000 1.140 154 L CA 0.433 55.235 54.840 -0.063 0.000 0.842 154 L CB -0.023 41.962 42.059 -0.123 0.000 0.953 154 L HN 0.483 nan 8.230 nan 0.000 0.452 155 E N 0.379 120.561 120.200 -0.031 0.000 2.060 155 E HA -0.068 4.266 4.350 -0.027 0.000 0.189 155 E C 1.861 178.448 176.600 -0.021 0.000 0.974 155 E CA 0.787 57.171 56.400 -0.026 0.000 0.808 155 E CB 0.060 29.764 29.700 0.006 0.000 0.768 155 E HN 0.392 nan 8.360 nan 0.000 0.453 156 G N 0.313 109.108 108.800 -0.008 0.000 3.371 156 G HA2 0.007 3.951 3.960 -0.027 0.000 0.248 156 G HA3 0.007 3.951 3.960 -0.027 0.000 0.248 156 G C -0.298 174.599 174.900 -0.006 0.000 1.161 156 G CA -0.250 44.846 45.100 -0.006 0.000 0.796 156 G HN 0.129 nan 8.290 nan 0.000 0.539 157 K N -0.977 119.413 120.400 -0.016 0.000 3.653 157 K HA -0.085 4.219 4.320 -0.027 0.000 0.275 157 K C 0.000 176.611 176.600 0.017 0.000 0.962 157 K CA 0.328 56.605 56.287 -0.016 0.000 0.773 157 K CB -1.528 30.953 32.500 -0.032 0.000 1.463 157 K HN 0.684 nan 8.250 nan 0.000 0.450 158 A N 0.717 123.559 122.820 0.038 0.000 2.612 158 A HA 0.694 4.997 4.320 -0.027 0.000 0.293 158 A C -1.391 176.262 177.584 0.116 0.000 1.075 158 A CA -0.902 51.183 52.037 0.079 0.000 0.680 158 A CB 0.863 19.897 19.000 0.057 0.000 1.279 158 A HN 0.277 nan 8.150 nan 0.000 0.411 159 F N 1.594 121.565 119.950 0.035 0.000 2.412 159 F HA 0.500 5.014 4.527 -0.021 0.000 0.348 159 F C 1.001 176.824 175.800 0.039 0.000 1.102 159 F CA -0.037 57.996 58.000 0.055 0.000 1.196 159 F CB 1.020 40.060 39.000 0.067 0.000 1.144 159 F HN 0.578 nan 8.300 nan 0.000 0.541 160 K N 4.733 124.651 120.400 -0.804 0.000 2.214 160 K HA 0.209 4.513 4.320 -0.027 0.000 0.210 160 K C -0.202 175.983 176.600 -0.692 0.000 1.036 160 K CA 0.464 56.431 56.287 -0.533 0.000 0.958 160 K CB 0.266 32.570 32.500 -0.326 0.000 0.973 160 K HN 0.831 nan 8.250 nan 0.000 0.466 161 R N -0.979 118.937 120.500 -0.974 0.000 2.829 161 R HA 0.329 4.653 4.340 -0.027 0.000 0.283 161 R C -1.159 174.931 176.300 -0.351 0.000 1.013 161 R CA -0.778 55.018 56.100 -0.507 0.000 0.848 161 R CB 0.354 30.524 30.300 -0.216 0.000 1.291 161 R HN -0.213 nan 8.270 nan 0.000 0.496 162 M N 1.484 121.052 119.600 -0.054 0.000 2.300 162 M HA 0.415 4.879 4.480 -0.027 0.000 0.348 162 M C -1.051 175.187 176.300 -0.103 0.000 1.151 162 M CA -1.095 54.173 55.300 -0.052 0.000 1.046 162 M CB 1.106 33.729 32.600 0.038 0.000 1.647 162 M HN 0.474 nan 8.290 nan 0.000 0.451 163 L N 3.366 124.502 121.223 -0.145 0.000 2.287 163 L HA 0.362 4.685 4.340 -0.027 0.000 0.287 163 L C -0.086 176.741 176.870 -0.071 0.000 1.022 163 L CA -0.263 54.516 54.840 -0.101 0.000 0.814 163 L CB 0.976 42.965 42.059 -0.116 0.000 1.217 163 L HN 0.546 nan 8.230 nan 0.000 0.420 164 D N 2.860 123.231 120.400 -0.047 0.000 2.390 164 D HA 0.289 4.912 4.640 -0.027 0.000 0.249 164 D C -0.300 175.985 176.300 -0.024 0.000 1.144 164 D CA 0.234 54.207 54.000 -0.045 0.000 0.880 164 D CB 2.254 43.033 40.800 -0.035 0.000 1.182 164 D HN 0.136 nan 8.370 nan 0.000 0.451 165 V N 3.287 123.185 119.914 -0.027 0.000 3.130 165 V HA 0.371 4.475 4.120 -0.027 0.000 0.310 165 V C -2.026 174.060 176.094 -0.014 0.000 1.158 165 V CA -1.443 60.859 62.300 0.003 0.000 1.029 165 V CB 2.688 34.542 31.823 0.050 0.000 1.057 165 V HN 0.484 nan 8.190 nan 0.000 0.436 166 P HA 0.232 nan 4.420 nan 0.000 0.297 166 P C -0.847 176.433 177.300 -0.033 0.000 1.303 166 P CA -0.391 62.715 63.100 0.010 0.000 0.753 166 P CB 0.566 32.315 31.700 0.082 0.000 1.281 167 D N -0.077 120.307 120.400 -0.027 0.000 2.545 167 D HA 0.178 4.801 4.640 -0.027 0.000 0.227 167 D C -0.278 175.946 176.300 -0.127 0.000 1.150 167 D CA 0.390 54.342 54.000 -0.081 0.000 1.046 167 D CB -0.707 40.109 40.800 0.027 0.000 1.098 167 D HN 0.208 nan 8.370 nan 0.000 0.502 168 c N 1.323 119.728 118.600 -0.326 0.000 2.802 168 c HA 0.574 5.127 4.570 -0.027 0.000 0.307 168 c C -0.646 173.088 174.090 -0.594 0.000 1.222 168 c CA -0.941 55.244 56.329 -0.239 0.000 1.580 168 c CB 1.054 43.573 42.510 0.015 0.000 2.119 168 c HN 0.416 nan 8.230 nan 0.000 0.479 169 Y N 0.383 120.761 120.300 0.129 0.000 2.524 169 Y HA 0.634 5.167 4.550 -0.028 0.000 0.347 169 Y C 0.357 176.342 175.900 0.141 0.000 1.005 169 Y CA -0.298 57.739 58.100 -0.106 0.000 1.025 169 Y CB 0.874 39.377 38.460 0.073 0.000 1.275 169 Y HN 0.828 nan 8.280 nan 0.000 0.460 170 H N 1.059 120.057 119.070 -0.119 0.000 4.802 170 H HA -0.098 4.442 4.556 -0.026 0.000 0.266 170 H C -1.562 173.557 175.328 -0.348 0.000 0.545 170 H CA 0.440 56.366 56.048 -0.203 0.000 0.702 170 H CB -0.205 29.426 29.762 -0.219 0.000 0.906 170 H HN 0.682 nan 8.280 nan 0.000 0.310 171 I N 2.573 122.903 120.570 -0.401 0.000 2.500 171 I HA 0.200 4.353 4.170 -0.027 0.000 0.286 171 I C -0.770 175.179 176.117 -0.280 0.000 1.063 171 I CA -0.286 60.886 61.300 -0.214 0.000 1.062 171 I CB 1.023 38.906 38.000 -0.195 0.000 1.223 171 I HN 0.179 nan 8.210 nan 0.000 0.435 172 F N 7.138 127.202 119.950 0.190 0.000 2.434 172 F HA 0.450 4.962 4.527 -0.026 0.000 0.367 172 F C -2.491 173.397 175.800 0.146 0.000 1.093 172 F CA -2.662 55.232 58.000 -0.176 0.000 1.085 172 F CB 1.037 39.616 39.000 -0.702 0.000 1.322 172 F HN 0.146 nan 8.300 nan 0.000 0.452 173 P HA 0.258 nan 4.420 nan 0.000 0.285 173 P C 0.628 178.205 177.300 0.462 0.000 1.259 173 P CA -0.235 63.156 63.100 0.484 0.000 0.794 173 P CB 1.329 33.282 31.700 0.421 0.000 0.940 174 T N -0.613 114.179 114.554 0.397 0.000 2.959 174 T HA 0.626 4.959 4.350 -0.027 0.000 0.254 174 T C 0.425 175.255 174.700 0.217 0.000 1.003 174 T CA 0.055 62.349 62.100 0.323 0.000 0.950 174 T CB 0.158 69.240 68.868 0.357 0.000 1.090 174 T HN 0.475 nan 8.240 nan 0.000 0.503 175 A N 1.106 124.043 122.820 0.194 0.000 2.581 175 A HA 0.749 5.053 4.320 -0.027 0.000 0.290 175 A C -2.440 175.209 177.584 0.109 0.000 1.119 175 A CA -1.387 50.721 52.037 0.117 0.000 0.670 175 A CB 0.336 19.370 19.000 0.058 0.000 1.280 175 A HN -0.113 nan 8.150 nan 0.000 0.425 176 P HA -0.131 nan 4.420 nan 0.000 0.219 176 P C 0.129 177.407 177.300 -0.037 0.000 1.144 176 P CA 2.166 65.297 63.100 0.050 0.000 0.806 176 P CB 0.169 31.880 31.700 0.019 0.000 0.771 177 D N -3.903 116.377 120.400 -0.200 0.000 2.636 177 D HA 0.087 4.711 4.640 -0.027 0.000 0.270 177 D C -0.472 175.487 176.300 -0.568 0.000 1.430 177 D CA -0.060 53.510 54.000 -0.716 0.000 0.796 177 D CB -0.131 40.286 40.800 -0.638 0.000 1.117 177 D HN -0.092 nan 8.370 nan 0.000 0.480 178 T N 0.517 115.008 114.554 -0.105 0.000 2.916 178 T HA 0.633 4.967 4.350 -0.027 0.000 0.305 178 T C -1.024 173.771 174.700 0.159 0.000 1.119 178 T CA -0.671 61.376 62.100 -0.090 0.000 1.008 178 T CB 1.661 70.465 68.868 -0.106 0.000 1.129 178 T HN 0.190 nan 8.240 nan 0.000 0.480 179 F N 0.055 120.032 119.950 0.044 0.000 2.741 179 F HA 0.880 5.391 4.527 -0.026 0.000 0.313 179 F C -2.289 173.463 175.800 -0.081 0.000 1.153 179 F CA -1.841 56.235 58.000 0.128 0.000 0.931 179 F CB 0.810 39.932 39.000 0.203 0.000 1.335 179 F HN 0.433 nan 8.300 nan 0.000 0.460 180 F N 1.626 121.766 119.950 0.316 0.000 2.538 180 F HA 0.828 5.339 4.527 -0.027 0.000 0.325 180 F C -0.083 175.982 175.800 0.442 0.000 1.066 180 F CA -0.858 57.296 58.000 0.257 0.000 0.946 180 F CB 2.319 41.445 39.000 0.209 0.000 1.199 180 F HN 0.365 nan 8.300 nan 0.000 0.473 181 M N 1.588 121.519 119.600 0.552 0.000 2.593 181 M HA 0.306 4.769 4.480 -0.027 0.000 0.290 181 M C -1.304 175.343 176.300 0.579 0.000 1.244 181 M CA -0.770 54.824 55.300 0.490 0.000 0.857 181 M CB 2.869 35.657 32.600 0.314 0.000 1.738 181 M HN 0.593 nan 8.290 nan 0.000 0.461 182 H N 0.899 120.293 119.070 0.540 0.000 2.481 182 H HA 0.474 5.014 4.556 -0.028 0.000 0.333 182 H C -1.666 173.900 175.328 0.396 0.000 1.066 182 H CA -0.538 55.805 56.048 0.492 0.000 1.209 182 H CB 1.207 31.267 29.762 0.497 0.000 1.445 182 H HN 0.781 nan 8.280 nan 0.000 0.488 183 c N 4.578 123.089 118.600 -0.147 0.000 2.335 183 c HA 0.258 4.811 4.570 -0.027 0.000 0.363 183 c C 2.220 176.209 174.090 -0.168 0.000 1.198 183 c CA -0.745 55.550 56.329 -0.057 0.000 2.279 183 c CB 1.027 43.595 42.510 0.096 0.000 2.334 183 c HN 1.001 nan 8.230 nan 0.000 0.559 184 R N 1.133 121.680 120.500 0.079 0.000 2.133 184 R HA -0.193 4.131 4.340 -0.027 0.000 0.247 184 R C 1.529 177.820 176.300 -0.016 0.000 1.151 184 R CA 2.592 58.746 56.100 0.091 0.000 0.971 184 R CB -0.306 30.091 30.300 0.162 0.000 0.866 184 R HN 0.942 nan 8.270 nan 0.000 0.447 185 D N -1.903 118.469 120.400 -0.046 0.000 2.348 185 D HA 0.002 4.625 4.640 -0.027 0.000 0.216 185 D C 1.130 177.305 176.300 -0.208 0.000 0.970 185 D CA 1.132 55.075 54.000 -0.096 0.000 0.889 185 D CB 0.109 40.860 40.800 -0.081 0.000 0.912 185 D HN 0.453 nan 8.370 nan 0.000 0.524 186 G N -0.452 108.186 108.800 -0.271 0.000 2.184 186 G HA2 -0.193 3.750 3.960 -0.027 0.000 0.206 186 G HA3 -0.193 3.750 3.960 -0.027 0.000 0.206 186 G C 0.292 174.994 174.900 -0.331 0.000 0.995 186 G CA 0.245 45.000 45.100 -0.575 0.000 0.651 186 G HN 0.792 nan 8.290 nan 0.000 0.511 187 S N -0.563 115.119 115.700 -0.030 0.000 2.745 187 S HA 0.888 5.342 4.470 -0.027 0.000 0.292 187 S C -0.381 174.465 174.600 0.411 0.000 1.133 187 S CA -0.894 57.448 58.200 0.237 0.000 0.998 187 S CB 2.472 65.848 63.200 0.294 0.000 1.087 187 S HN 0.642 nan 8.310 nan 0.000 0.551 188 L N 0.872 122.396 121.223 0.501 0.000 2.325 188 L HA 0.787 5.111 4.340 -0.027 0.000 0.278 188 L C 0.089 177.113 176.870 0.256 0.000 1.023 188 L CA -0.456 54.674 54.840 0.483 0.000 0.811 188 L CB 1.392 43.768 42.059 0.530 0.000 1.249 188 L HN 1.051 nan 8.230 nan 0.000 0.431 189 A N 3.538 126.418 122.820 0.100 0.000 2.337 189 A HA 0.670 4.974 4.320 -0.027 0.000 0.329 189 A C -0.713 176.723 177.584 -0.247 0.000 1.146 189 A CA -0.662 51.222 52.037 -0.254 0.000 0.800 189 A CB 0.891 19.670 19.000 -0.369 0.000 1.220 189 A HN 0.619 nan 8.150 nan 0.000 0.472 190 K N 1.671 121.803 120.400 -0.447 0.000 2.206 190 K HA 0.634 4.937 4.320 -0.027 0.000 0.264 190 K C -1.608 174.615 176.600 -0.628 0.000 0.967 190 K CA -0.373 55.395 56.287 -0.865 0.000 0.844 190 K CB 1.343 33.413 32.500 -0.717 0.000 1.099 190 K HN 0.432 nan 8.250 nan 0.000 0.441 191 V N 2.747 122.196 119.914 -0.774 0.000 2.483 191 V HA 0.561 4.665 4.120 -0.027 0.000 0.297 191 V C -0.721 175.053 176.094 -0.534 0.000 1.027 191 V CA -1.005 60.898 62.300 -0.661 0.000 0.855 191 V CB 1.297 32.504 31.823 -1.026 0.000 0.995 191 V HN 0.897 nan 8.190 nan 0.000 0.424 192 A N 5.648 128.300 122.820 -0.281 0.000 2.303 192 A HA 0.999 5.303 4.320 -0.027 0.000 0.320 192 A C -0.799 176.730 177.584 -0.091 0.000 1.192 192 A CA -0.402 51.498 52.037 -0.228 0.000 0.821 192 A CB 0.796 19.675 19.000 -0.201 0.000 1.188 192 A HN 1.012 nan 8.150 nan 0.000 0.492 193 F N -0.311 119.589 119.950 -0.083 0.000 2.790 193 F HA 0.857 5.368 4.527 -0.026 0.000 0.337 193 F C 1.022 176.813 175.800 -0.016 0.000 1.163 193 F CA -0.566 57.411 58.000 -0.037 0.000 0.997 193 F CB 0.774 39.779 39.000 0.010 0.000 1.437 193 F HN 1.322 nan 8.300 nan 0.000 0.512 194 G N -0.284 108.612 108.800 0.160 0.000 2.320 194 G HA2 -0.257 3.687 3.960 -0.027 0.000 0.242 194 G HA3 -0.257 3.687 3.960 -0.027 0.000 0.242 194 G C 0.262 175.166 174.900 0.007 0.000 1.033 194 G CA 0.090 45.198 45.100 0.013 0.000 0.620 194 G HN 0.936 nan 8.290 nan 0.000 0.517 195 T N 2.543 117.099 114.554 0.004 0.000 2.825 195 T HA 0.369 4.702 4.350 -0.027 0.000 0.270 195 T C 1.066 175.794 174.700 0.046 0.000 0.919 195 T CA 0.247 62.353 62.100 0.010 0.000 1.159 195 T CB 1.015 69.880 68.868 -0.004 0.000 0.889 195 T HN 0.235 nan 8.240 nan 0.000 0.565 196 E N 2.163 122.383 120.200 0.033 0.000 2.516 196 E HA 0.013 4.347 4.350 -0.027 0.000 0.199 196 E C 1.611 178.227 176.600 0.026 0.000 1.069 196 E CA 0.109 56.532 56.400 0.038 0.000 0.876 196 E CB 0.057 29.772 29.700 0.025 0.000 0.843 196 E HN 0.806 nan 8.360 nan 0.000 0.530 197 G N 0.416 109.229 108.800 0.021 0.000 3.380 197 G HA2 0.058 4.002 3.960 -0.027 0.000 0.188 197 G HA3 0.058 4.002 3.960 -0.027 0.000 0.188 197 G C 0.137 175.047 174.900 0.018 0.000 1.892 197 G CA 0.246 45.354 45.100 0.014 0.000 0.912 197 G HN 0.248 nan 8.290 nan 0.000 0.609 198 T N 1.306 115.867 114.554 0.012 0.000 2.897 198 T HA 0.526 4.859 4.350 -0.027 0.000 0.294 198 T C -2.273 172.441 174.700 0.023 0.000 1.004 198 T CA -1.343 60.765 62.100 0.013 0.000 1.106 198 T CB 1.690 70.560 68.868 0.003 0.000 0.949 198 T HN 0.321 nan 8.240 nan 0.000 0.520 199 P HA 0.006 nan 4.420 nan 0.000 0.270 199 P C -0.305 176.990 177.300 -0.008 0.000 1.221 199 P CA -0.181 62.946 63.100 0.045 0.000 0.788 199 P CB 0.606 32.353 31.700 0.078 0.000 0.904 200 E N 1.536 121.714 120.200 -0.038 0.000 2.146 200 E HA 0.327 4.661 4.350 -0.027 0.000 0.282 200 E C -0.814 175.726 176.600 -0.099 0.000 0.989 200 E CA -0.530 55.835 56.400 -0.058 0.000 0.799 200 E CB 0.333 29.994 29.700 -0.064 0.000 1.088 200 E HN 0.337 nan 8.360 nan 0.000 0.397 201 I N 3.328 123.848 120.570 -0.083 0.000 2.465 201 I HA 0.270 4.424 4.170 -0.027 0.000 0.291 201 I C -0.316 175.749 176.117 -0.087 0.000 1.014 201 I CA -0.613 60.613 61.300 -0.123 0.000 1.093 201 I CB 2.281 40.229 38.000 -0.087 0.000 1.267 201 I HN 0.359 nan 8.210 nan 0.000 0.431 202 T N 3.826 118.296 114.554 -0.141 0.000 2.886 202 T HA 0.425 4.758 4.350 -0.027 0.000 0.292 202 T C -0.627 174.023 174.700 -0.083 0.000 1.012 202 T CA -0.592 61.481 62.100 -0.044 0.000 0.982 202 T CB 1.314 70.157 68.868 -0.042 0.000 1.018 202 T HN 0.386 nan 8.240 nan 0.000 0.451 203 H N 1.385 120.478 119.070 0.038 0.000 2.479 203 H HA 0.447 4.987 4.556 -0.027 0.000 0.335 203 H C 0.836 176.240 175.328 0.127 0.000 1.142 203 H CA -0.474 55.626 56.048 0.086 0.000 1.234 203 H CB 1.788 31.588 29.762 0.063 0.000 1.503 203 H HN 0.738 nan 8.280 nan 0.000 0.510 204 T N 0.309 115.050 114.554 0.312 0.000 2.865 204 T HA 0.193 4.526 4.350 -0.027 0.000 0.302 204 T C 0.316 175.160 174.700 0.240 0.000 1.078 204 T CA -0.891 61.399 62.100 0.316 0.000 0.942 204 T CB 0.654 69.812 68.868 0.484 0.000 1.387 204 T HN 0.523 nan 8.240 nan 0.000 0.557 205 E N -0.138 120.155 120.200 0.156 0.000 2.312 205 E HA 0.510 4.844 4.350 -0.027 0.000 0.259 205 E C -0.614 175.978 176.600 -0.014 0.000 1.122 205 E CA -0.916 55.501 56.400 0.027 0.000 0.922 205 E CB 0.275 29.942 29.700 -0.056 0.000 1.109 205 E HN 0.451 nan 8.360 nan 0.000 0.442 206 V N 2.522 122.385 119.914 -0.086 0.000 2.493 206 V HA -0.044 4.060 4.120 -0.027 0.000 0.292 206 V C 0.281 176.225 176.094 -0.250 0.000 1.016 206 V CA 0.523 62.709 62.300 -0.191 0.000 1.097 206 V CB -0.743 30.942 31.823 -0.229 0.000 0.947 206 V HN 0.730 nan 8.190 nan 0.000 0.479 207 F N 3.976 123.679 119.950 -0.413 0.000 2.661 207 F HA 0.442 4.952 4.527 -0.028 0.000 0.306 207 F C 0.517 176.164 175.800 -0.255 0.000 1.094 207 F CA -0.464 57.275 58.000 -0.434 0.000 1.254 207 F CB -0.006 38.601 39.000 -0.655 0.000 1.040 207 F HN 0.660 nan 8.300 nan 0.000 0.562 208 H N -1.103 117.629 119.070 -0.564 0.000 3.085 208 H HA 0.449 4.988 4.556 -0.027 0.000 0.356 208 H C -3.488 171.626 175.328 -0.356 0.000 1.178 208 H CA -2.111 53.663 56.048 -0.458 0.000 1.214 208 H CB 1.089 30.409 29.762 -0.736 0.000 1.881 208 H HN -0.138 nan 8.280 nan 0.000 0.538 209 P HA 0.019 nan 4.420 nan 0.000 0.274 209 P C 0.944 178.115 177.300 -0.214 0.000 1.256 209 P CA -0.276 62.687 63.100 -0.228 0.000 0.795 209 P CB 1.635 33.242 31.700 -0.155 0.000 1.038 210 E N 0.738 120.826 120.200 -0.186 0.000 2.273 210 E HA -0.224 4.110 4.350 -0.027 0.000 0.198 210 E C 0.565 177.049 176.600 -0.195 0.000 1.002 210 E CA 1.475 57.798 56.400 -0.128 0.000 0.828 210 E CB -0.072 29.579 29.700 -0.082 0.000 0.747 210 E HN 0.494 nan 8.360 nan 0.000 0.491 211 D N -0.485 119.723 120.400 -0.319 0.000 2.424 211 D HA 0.039 4.662 4.640 -0.027 0.000 0.220 211 D C -0.108 175.623 176.300 -0.948 0.000 1.150 211 D CA -0.175 53.478 54.000 -0.579 0.000 0.831 211 D CB -0.155 40.480 40.800 -0.274 0.000 0.981 211 D HN 0.009 nan 8.370 nan 0.000 0.500 212 E N 0.050 119.815 120.200 -0.725 0.000 2.171 212 E HA 0.335 4.669 4.350 -0.027 0.000 0.271 212 E C -1.205 174.963 176.600 -0.719 0.000 0.916 212 E CA -0.769 55.254 56.400 -0.628 0.000 0.774 212 E CB 0.974 30.519 29.700 -0.258 0.000 1.128 212 E HN -0.104 nan 8.360 nan 0.000 0.403 213 F N 4.232 123.957 119.950 -0.374 0.000 2.361 213 F HA 0.306 4.817 4.527 -0.027 0.000 0.364 213 F C -0.410 175.080 175.800 -0.517 0.000 1.117 213 F CA -0.851 56.800 58.000 -0.582 0.000 1.071 213 F CB 0.445 38.765 39.000 -1.134 0.000 1.188 213 F HN 0.286 nan 8.300 nan 0.000 0.464 214 L N 4.630 125.648 121.223 -0.342 0.000 2.334 214 L HA 0.463 4.787 4.340 -0.027 0.000 0.277 214 L C 0.534 177.413 176.870 0.014 0.000 1.075 214 L CA -0.849 53.780 54.840 -0.352 0.000 0.804 214 L CB 0.782 42.176 42.059 -1.109 0.000 1.174 214 L HN 0.506 nan 8.230 nan 0.000 0.438 215 I N -0.525 120.241 120.570 0.325 0.000 3.269 215 I HA 0.206 4.360 4.170 -0.027 0.000 0.287 215 I C 0.823 177.111 176.117 0.285 0.000 1.152 215 I CA -0.179 61.337 61.300 0.360 0.000 1.263 215 I CB 0.444 38.647 38.000 0.339 0.000 1.439 215 I HN 0.505 nan 8.210 nan 0.000 0.637 216 N N 0.122 118.832 118.700 0.015 0.000 2.392 216 N HA 0.001 4.725 4.740 -0.027 0.000 0.177 216 N C -0.326 174.737 175.510 -0.746 0.000 1.066 216 N CA 0.630 53.422 53.050 -0.431 0.000 0.895 216 N CB -0.164 37.781 38.487 -0.904 0.000 0.988 216 N HN 0.639 nan 8.380 nan 0.000 0.457 217 H N 0.858 119.842 119.070 -0.143 0.000 2.556 217 H HA 0.284 4.823 4.556 -0.028 0.000 0.240 217 H C -2.146 173.121 175.328 -0.102 0.000 1.543 217 H CA -1.677 54.320 56.048 -0.084 0.000 1.287 217 H CB 0.537 30.232 29.762 -0.112 0.000 1.529 217 H HN 0.147 nan 8.280 nan 0.000 0.553 218 P HA 0.218 nan 4.420 nan 0.000 0.274 218 P C -0.297 176.902 177.300 -0.169 0.000 1.237 218 P CA -0.477 62.266 63.100 -0.595 0.000 0.793 218 P CB 1.390 32.097 31.700 -1.655 0.000 0.977 219 A N 2.335 125.075 122.820 -0.132 0.000 2.306 219 A HA 0.483 4.786 4.320 -0.027 0.000 0.314 219 A C -1.295 176.212 177.584 -0.128 0.000 1.164 219 A CA -0.329 51.737 52.037 0.047 0.000 0.822 219 A CB 0.208 19.279 19.000 0.118 0.000 1.130 219 A HN 0.587 nan 8.150 nan 0.000 0.496 220 Y N 2.028 122.149 120.300 -0.298 0.000 2.327 220 Y HA 0.514 5.047 4.550 -0.028 0.000 0.325 220 Y C -0.190 175.576 175.900 -0.222 0.000 0.999 220 Y CA -0.956 56.825 58.100 -0.531 0.000 1.195 220 Y CB 1.781 39.585 38.460 -1.092 0.000 1.132 220 Y HN 0.555 nan 8.280 nan 0.000 0.455 221 S N 5.541 120.970 115.700 -0.451 0.000 2.410 221 S HA 0.149 4.602 4.470 -0.027 0.000 0.304 221 S C 0.937 175.092 174.600 -0.742 0.000 1.095 221 S CA -0.383 57.620 58.200 -0.330 0.000 1.089 221 S CB 0.855 64.077 63.200 0.035 0.000 0.968 221 S HN 0.988 nan 8.310 nan 0.000 0.480 222 Q N 4.277 123.581 119.800 -0.827 0.000 2.224 222 Q HA -0.021 4.303 4.340 -0.027 0.000 0.203 222 Q C 1.373 177.217 176.000 -0.260 0.000 0.970 222 Q CA 1.254 56.645 55.803 -0.685 0.000 0.865 222 Q CB 0.039 28.607 28.738 -0.285 0.000 0.922 222 Q HN 0.678 nan 8.270 nan 0.000 0.445 223 K N -0.698 119.604 120.400 -0.163 0.000 2.365 223 K HA 0.003 4.307 4.320 -0.027 0.000 0.199 223 K C 1.233 177.793 176.600 -0.067 0.000 1.045 223 K CA 0.764 57.005 56.287 -0.077 0.000 0.962 223 K CB 0.302 32.775 32.500 -0.046 0.000 0.759 223 K HN 0.141 nan 8.250 nan 0.000 0.469 224 A N 0.399 123.164 122.820 -0.092 0.000 2.430 224 A HA 0.272 4.575 4.320 -0.027 0.000 0.243 224 A C 1.085 178.609 177.584 -0.100 0.000 1.254 224 A CA 0.352 52.358 52.037 -0.051 0.000 0.914 224 A CB 0.051 19.075 19.000 0.040 0.000 0.998 224 A HN 0.279 nan 8.150 nan 0.000 0.515 225 G N 0.113 108.832 108.800 -0.133 0.000 2.379 225 G HA2 -0.284 3.660 3.960 -0.027 0.000 0.297 225 G HA3 -0.284 3.660 3.960 -0.027 0.000 0.297 225 G C 0.177 174.998 174.900 -0.133 0.000 1.004 225 G CA 0.965 46.013 45.100 -0.086 0.000 0.921 225 G HN 0.776 nan 8.290 nan 0.000 0.511 226 R N -0.447 119.927 120.500 -0.210 0.000 2.439 226 R HA 0.709 5.033 4.340 -0.027 0.000 0.310 226 R C -0.652 175.470 176.300 -0.297 0.000 0.955 226 R CA -0.983 54.936 56.100 -0.301 0.000 0.853 226 R CB 0.887 30.930 30.300 -0.427 0.000 1.171 226 R HN 0.172 nan 8.270 nan 0.000 0.449 227 L N 5.388 126.415 121.223 -0.326 0.000 2.298 227 L HA 0.531 4.855 4.340 -0.027 0.000 0.284 227 L C -0.985 175.686 176.870 -0.332 0.000 1.013 227 L CA -1.087 53.516 54.840 -0.395 0.000 0.824 227 L CB 1.849 43.565 42.059 -0.573 0.000 1.221 227 L HN 0.454 nan 8.230 nan 0.000 0.418 228 V N 4.175 123.908 119.914 -0.302 0.000 2.350 228 V HA 0.312 4.416 4.120 -0.027 0.000 0.276 228 V C -0.815 175.252 176.094 -0.045 0.000 1.028 228 V CA -0.451 61.756 62.300 -0.156 0.000 0.860 228 V CB 1.573 33.311 31.823 -0.143 0.000 0.990 228 V HN 0.625 nan 8.190 nan 0.000 0.453 229 W N 8.873 130.136 121.300 -0.061 0.000 2.517 229 W HA 0.504 5.148 4.660 -0.027 0.000 0.301 229 W C -2.905 173.643 176.519 0.050 0.000 1.002 229 W CA -2.872 54.452 57.345 -0.035 0.000 1.415 229 W CB 2.034 31.443 29.460 -0.084 0.000 1.275 229 W HN 0.415 nan 8.180 nan 0.000 0.413 230 P HA 0.267 nan 4.420 nan 0.000 0.274 230 P C 0.085 177.556 177.300 0.284 0.000 1.256 230 P CA 0.449 63.725 63.100 0.292 0.000 0.795 230 P CB 1.142 32.979 31.700 0.229 0.000 1.038 231 T N -2.946 111.730 114.554 0.204 0.000 2.927 231 T HA 0.316 4.650 4.350 -0.027 0.000 0.286 231 T C 0.697 175.563 174.700 0.278 0.000 1.040 231 T CA -0.346 61.853 62.100 0.166 0.000 1.010 231 T CB 0.215 69.124 68.868 0.070 0.000 1.177 231 T HN 0.128 nan 8.240 nan 0.000 0.546 232 Y N 1.129 121.468 120.300 0.066 0.000 2.365 232 Y HA -0.064 4.470 4.550 -0.028 0.000 0.287 232 Y C 2.900 178.817 175.900 0.029 0.000 1.162 232 Y CA 1.559 59.682 58.100 0.038 0.000 1.260 232 Y CB -1.454 37.001 38.460 -0.008 0.000 0.976 232 Y HN 0.887 nan 8.280 nan 0.000 0.548 233 T N -4.833 109.826 114.554 0.175 0.000 3.065 233 T HA 0.389 4.723 4.350 -0.027 0.000 0.252 233 T C 1.801 176.554 174.700 0.088 0.000 1.099 233 T CA 0.570 62.729 62.100 0.098 0.000 1.063 233 T CB 0.004 68.902 68.868 0.050 0.000 0.948 233 T HN 0.382 nan 8.240 nan 0.000 0.506 234 G N 1.493 110.358 108.800 0.107 0.000 2.157 234 G HA2 -0.261 3.683 3.960 -0.027 0.000 0.239 234 G HA3 -0.261 3.683 3.960 -0.027 0.000 0.239 234 G C -0.010 174.922 174.900 0.053 0.000 0.982 234 G CA 0.053 45.207 45.100 0.091 0.000 0.650 234 G HN 0.802 nan 8.290 nan 0.000 0.527 235 K N 0.619 121.040 120.400 0.034 0.000 2.412 235 K HA 0.532 4.835 4.320 -0.027 0.000 0.281 235 K C 0.288 176.888 176.600 -0.001 0.000 1.027 235 K CA -0.194 56.080 56.287 -0.021 0.000 0.989 235 K CB 0.132 32.591 32.500 -0.067 0.000 0.935 235 K HN 0.240 nan 8.250 nan 0.000 0.475 236 I N 5.414 125.964 120.570 -0.033 0.000 2.354 236 I HA 0.152 4.306 4.170 -0.027 0.000 0.286 236 I C 0.055 176.158 176.117 -0.023 0.000 1.007 236 I CA -0.835 60.481 61.300 0.026 0.000 1.167 236 I CB 0.962 38.983 38.000 0.036 0.000 1.320 236 I HN 0.598 nan 8.210 nan 0.000 0.458 237 H N 6.151 125.283 119.070 0.103 0.000 2.652 237 H HA 0.318 4.857 4.556 -0.027 0.000 0.349 237 H C -0.540 174.822 175.328 0.056 0.000 1.099 237 H CA 0.247 56.367 56.048 0.120 0.000 1.417 237 H CB 1.286 31.185 29.762 0.227 0.000 1.457 237 H HN 0.522 nan 8.280 nan 0.000 0.568 238 Q N 2.686 122.539 119.800 0.088 0.000 2.304 238 Q HA 0.441 4.764 4.340 -0.027 0.000 0.270 238 Q C -0.748 175.163 176.000 -0.149 0.000 1.035 238 Q CA -0.542 55.228 55.803 -0.055 0.000 0.781 238 Q CB 2.304 30.986 28.738 -0.093 0.000 1.261 238 Q HN 0.489 nan 8.270 nan 0.000 0.444 239 I N 1.260 121.659 120.570 -0.285 0.000 2.530 239 I HA 0.330 4.484 4.170 -0.027 0.000 0.297 239 I C -0.816 175.045 176.117 -0.427 0.000 1.011 239 I CA -0.673 60.343 61.300 -0.474 0.000 1.107 239 I CB 1.985 39.585 38.000 -0.667 0.000 1.285 239 I HN 0.499 nan 8.210 nan 0.000 0.436 240 D N 5.413 125.557 120.400 -0.427 0.000 2.391 240 D HA 0.407 5.031 4.640 -0.027 0.000 0.245 240 D C -0.413 175.674 176.300 -0.356 0.000 1.069 240 D CA -0.324 53.487 54.000 -0.315 0.000 0.831 240 D CB 1.513 42.175 40.800 -0.230 0.000 1.204 240 D HN 0.182 nan 8.370 nan 0.000 0.503 241 L N 3.114 124.158 121.223 -0.298 0.000 2.906 241 L HA 0.129 4.452 4.340 -0.027 0.000 0.255 241 L C 1.972 178.772 176.870 -0.117 0.000 1.166 241 L CA 0.274 54.936 54.840 -0.296 0.000 0.977 241 L CB -0.817 41.010 42.059 -0.386 0.000 1.313 241 L HN 0.574 nan 8.230 nan 0.000 0.549 242 S N -1.001 114.640 115.700 -0.097 0.000 2.500 242 S HA -0.122 4.331 4.470 -0.027 0.000 0.239 242 S C 1.836 176.421 174.600 -0.025 0.000 0.989 242 S CA 1.137 59.309 58.200 -0.046 0.000 0.951 242 S CB -0.279 62.890 63.200 -0.052 0.000 0.759 242 S HN 0.498 nan 8.310 nan 0.000 0.523 243 S N -0.075 115.603 115.700 -0.036 0.000 2.501 243 S HA 0.502 4.956 4.470 -0.027 0.000 0.220 243 S C 1.675 176.285 174.600 0.017 0.000 0.997 243 S CA 0.440 58.632 58.200 -0.013 0.000 0.919 243 S CB -0.271 62.915 63.200 -0.022 0.000 0.778 243 S HN 1.335 nan 8.310 nan 0.000 0.523 244 G N 0.382 109.206 108.800 0.040 0.000 2.218 244 G HA2 -0.119 3.824 3.960 -0.027 0.000 0.216 244 G HA3 -0.119 3.824 3.960 -0.027 0.000 0.216 244 G C -0.469 174.535 174.900 0.173 0.000 0.994 244 G CA 0.089 45.255 45.100 0.109 0.000 0.637 244 G HN 0.520 nan 8.290 nan 0.000 0.505 245 D N 0.157 120.601 120.400 0.073 0.000 2.645 245 D HA 0.620 5.243 4.640 -0.027 0.000 0.228 245 D C 0.252 176.487 176.300 -0.108 0.000 1.148 245 D CA 0.337 54.390 54.000 0.089 0.000 0.860 245 D CB 1.743 42.583 40.800 0.068 0.000 1.548 245 D HN 0.596 nan 8.370 nan 0.000 0.460 246 A N 1.951 124.674 122.820 -0.161 0.000 2.484 246 A HA 0.164 4.467 4.320 -0.027 0.000 0.268 246 A C 0.267 177.560 177.584 -0.484 0.000 1.114 246 A CA 0.314 52.054 52.037 -0.495 0.000 0.780 246 A CB 0.021 18.737 19.000 -0.473 0.000 1.061 246 A HN 0.360 nan 8.150 nan 0.000 0.505 247 K N 3.598 123.675 120.400 -0.538 0.000 2.307 247 K HA 0.472 4.775 4.320 -0.027 0.000 0.263 247 K C -1.608 174.667 176.600 -0.543 0.000 0.973 247 K CA -0.459 55.599 56.287 -0.383 0.000 0.846 247 K CB 0.513 32.892 32.500 -0.203 0.000 1.100 247 K HN 0.493 nan 8.250 nan 0.000 0.438 248 F N 5.402 125.289 119.950 -0.105 0.000 2.405 248 F HA 0.150 4.660 4.527 -0.027 0.000 0.358 248 F C 0.376 176.138 175.800 -0.063 0.000 1.151 248 F CA -0.716 57.220 58.000 -0.106 0.000 1.161 248 F CB 0.222 39.186 39.000 -0.061 0.000 1.245 248 F HN 0.317 nan 8.300 nan 0.000 0.545 249 L N 4.963 126.187 121.223 0.002 0.000 2.475 249 L HA 0.298 4.621 4.340 -0.027 0.000 0.250 249 L C -1.812 175.085 176.870 0.046 0.000 1.224 249 L CA -2.264 52.578 54.840 0.005 0.000 0.821 249 L CB -0.609 41.421 42.059 -0.048 0.000 1.141 249 L HN 0.322 nan 8.230 nan 0.000 0.494 250 P HA 0.261 nan 4.420 nan 0.000 0.276 250 P C -1.220 176.068 177.300 -0.020 0.000 1.235 250 P CA -0.380 62.724 63.100 0.007 0.000 0.772 250 P CB 0.743 32.439 31.700 -0.006 0.000 0.871 251 A N 3.811 126.602 122.820 -0.049 0.000 2.396 251 A HA 0.283 4.586 4.320 -0.027 0.000 0.279 251 A C 0.298 177.825 177.584 -0.095 0.000 1.165 251 A CA -0.160 51.803 52.037 -0.124 0.000 0.824 251 A CB -0.262 18.581 19.000 -0.260 0.000 1.100 251 A HN 0.408 nan 8.150 nan 0.000 0.516 252 V N 2.364 122.232 119.914 -0.077 0.000 2.904 252 V HA 0.278 4.382 4.120 -0.027 0.000 0.305 252 V C 0.396 176.452 176.094 -0.063 0.000 1.067 252 V CA -0.256 62.009 62.300 -0.059 0.000 1.044 252 V CB 1.659 33.457 31.823 -0.042 0.000 1.050 252 V HN 0.998 nan 8.190 nan 0.000 0.475 253 E N 1.283 121.449 120.200 -0.056 0.000 2.171 253 E HA 0.634 4.968 4.350 -0.027 0.000 0.271 253 E C 0.354 176.926 176.600 -0.047 0.000 0.916 253 E CA 0.063 56.433 56.400 -0.050 0.000 0.774 253 E CB 1.792 31.461 29.700 -0.051 0.000 1.128 253 E HN 0.668 nan 8.360 nan 0.000 0.403 254 A N 5.054 127.855 122.820 -0.031 0.000 2.044 254 A HA 0.162 4.465 4.320 -0.027 0.000 0.213 254 A C 0.137 177.684 177.584 -0.062 0.000 1.169 254 A CA 0.334 52.350 52.037 -0.035 0.000 0.724 254 A CB 0.208 19.210 19.000 0.003 0.000 0.840 254 A HN 0.443 nan 8.150 nan 0.000 0.463 255 L N 1.435 122.624 121.223 -0.056 0.000 2.325 255 L HA 0.319 4.642 4.340 -0.027 0.000 0.279 255 L C 0.953 177.753 176.870 -0.117 0.000 1.054 255 L CA 0.138 54.918 54.840 -0.100 0.000 0.804 255 L CB 0.775 42.803 42.059 -0.052 0.000 1.200 255 L HN 0.401 nan 8.230 nan 0.000 0.436 256 T N -1.122 113.327 114.554 -0.175 0.000 2.856 256 T HA 0.080 4.414 4.350 -0.027 0.000 0.306 256 T C 1.146 175.775 174.700 -0.118 0.000 1.062 256 T CA -0.483 61.527 62.100 -0.150 0.000 1.083 256 T CB 1.040 69.798 68.868 -0.183 0.000 0.984 256 T HN 0.525 nan 8.240 nan 0.000 0.542 257 E N 1.179 121.328 120.200 -0.086 0.000 2.118 257 E HA -0.138 4.196 4.350 -0.027 0.000 0.195 257 E C 2.418 178.987 176.600 -0.051 0.000 0.992 257 E CA 1.524 57.890 56.400 -0.057 0.000 0.804 257 E CB -0.823 28.848 29.700 -0.047 0.000 0.741 257 E HN 0.848 nan 8.360 nan 0.000 0.458 258 A N 1.483 124.259 122.820 -0.074 0.000 1.873 258 A HA -0.194 4.110 4.320 -0.027 0.000 0.215 258 A C 2.073 179.615 177.584 -0.070 0.000 1.186 258 A CA 1.442 53.441 52.037 -0.062 0.000 0.616 258 A CB -0.459 18.492 19.000 -0.081 0.000 0.823 258 A HN 0.194 nan 8.150 nan 0.000 0.442 259 E N -0.359 119.724 120.200 -0.194 0.000 2.058 259 E HA -0.216 4.118 4.350 -0.027 0.000 0.194 259 E C 2.264 178.897 176.600 0.055 0.000 0.997 259 E CA 1.383 57.614 56.400 -0.281 0.000 0.801 259 E CB -0.214 29.097 29.700 -0.649 0.000 0.746 259 E HN 0.489 nan 8.360 nan 0.000 0.450 260 R N 0.112 120.624 120.500 0.021 0.000 2.193 260 R HA -0.056 4.267 4.340 -0.027 0.000 0.229 260 R C 2.200 178.543 176.300 0.071 0.000 1.110 260 R CA 0.843 56.983 56.100 0.068 0.000 0.988 260 R CB -0.123 30.192 30.300 0.025 0.000 0.871 260 R HN 0.124 nan 8.270 nan 0.000 0.458 261 A N 0.940 123.791 122.820 0.052 0.000 1.930 261 A HA -0.112 4.192 4.320 -0.027 0.000 0.215 261 A C 1.167 178.797 177.584 0.076 0.000 1.176 261 A CA 1.278 53.343 52.037 0.047 0.000 0.632 261 A CB -0.045 18.970 19.000 0.024 0.000 0.819 261 A HN 0.101 nan 8.150 nan 0.000 0.445 262 D N -1.040 119.439 120.400 0.131 0.000 2.352 262 D HA 0.318 4.942 4.640 -0.027 0.000 0.232 262 D C 1.183 177.586 176.300 0.173 0.000 1.055 262 D CA 1.182 55.285 54.000 0.172 0.000 0.891 262 D CB 0.016 40.978 40.800 0.271 0.000 0.897 262 D HN 0.565 nan 8.370 nan 0.000 0.529 263 G N -0.213 108.684 108.800 0.162 0.000 2.132 263 G HA2 -0.257 3.687 3.960 -0.027 0.000 0.234 263 G HA3 -0.257 3.687 3.960 -0.027 0.000 0.234 263 G C -0.244 174.699 174.900 0.070 0.000 0.989 263 G CA -0.573 44.574 45.100 0.077 0.000 0.676 263 G HN 0.159 nan 8.290 nan 0.000 0.522 264 W N 0.536 121.819 121.300 -0.027 0.000 2.216 264 W HA 0.732 5.375 4.660 -0.027 0.000 0.326 264 W C 1.101 177.617 176.519 -0.006 0.000 1.319 264 W CA -0.076 57.253 57.345 -0.026 0.000 1.213 264 W CB 0.504 29.929 29.460 -0.058 0.000 1.171 264 W HN 0.196 nan 8.180 nan 0.000 0.557 265 R N 3.090 123.726 120.500 0.226 0.000 2.739 265 R HA 0.372 4.695 4.340 -0.027 0.000 0.271 265 R C -2.606 173.792 176.300 0.164 0.000 1.010 265 R CA -2.063 54.130 56.100 0.155 0.000 0.897 265 R CB 2.042 32.394 30.300 0.087 0.000 1.236 265 R HN 0.115 nan 8.270 nan 0.000 0.466 266 P HA 0.239 nan 4.420 nan 0.000 0.274 266 P C -0.726 176.653 177.300 0.131 0.000 1.231 266 P CA -0.206 62.989 63.100 0.158 0.000 0.790 266 P CB 1.240 33.036 31.700 0.160 0.000 0.951 267 G N -0.382 108.503 108.800 0.141 0.000 2.759 267 G HA2 0.653 4.597 3.960 -0.027 0.000 0.297 267 G HA3 0.653 4.597 3.960 -0.027 0.000 0.297 267 G C -0.725 174.261 174.900 0.144 0.000 1.434 267 G CA -0.216 44.961 45.100 0.129 0.000 0.980 267 G HN 0.805 nan 8.290 nan 0.000 0.531 268 G N -0.049 108.845 108.800 0.156 0.000 2.334 268 G HA2 0.146 4.090 3.960 -0.027 0.000 0.249 268 G HA3 0.146 4.090 3.960 -0.027 0.000 0.249 268 G C -0.028 175.017 174.900 0.242 0.000 1.327 268 G CA 0.228 45.441 45.100 0.188 0.000 0.979 268 G HN 0.874 nan 8.290 nan 0.000 0.471 269 W N 0.023 121.302 121.300 -0.034 0.000 4.006 269 W HA 0.327 4.970 4.660 -0.028 0.000 0.212 269 W C 0.460 176.769 176.519 -0.350 0.000 2.028 269 W CA 0.406 57.626 57.345 -0.208 0.000 2.379 269 W CB 0.253 29.608 29.460 -0.174 0.000 1.552 269 W HN 0.451 nan 8.180 nan 0.000 0.548 270 Q N 2.478 122.198 119.800 -0.134 0.000 2.664 270 Q HA 0.012 4.335 4.340 -0.027 0.000 0.223 270 Q C 0.924 176.982 176.000 0.096 0.000 1.298 270 Q CA 0.102 55.878 55.803 -0.045 0.000 0.965 270 Q CB 0.729 29.537 28.738 0.117 0.000 1.510 270 Q HN 0.374 nan 8.270 nan 0.000 0.567 271 Q N -0.112 119.748 119.800 0.100 0.000 2.364 271 Q HA -0.042 4.282 4.340 -0.027 0.000 0.207 271 Q C 0.367 176.472 176.000 0.175 0.000 0.970 271 Q CA 0.553 56.446 55.803 0.149 0.000 0.888 271 Q CB 0.274 29.104 28.738 0.154 0.000 0.951 271 Q HN 0.337 nan 8.270 nan 0.000 0.469 272 V N -2.263 117.761 119.914 0.183 0.000 2.962 272 V HA 0.895 4.999 4.120 -0.027 0.000 0.313 272 V C -0.765 175.466 176.094 0.228 0.000 1.099 272 V CA -1.197 61.225 62.300 0.203 0.000 0.971 272 V CB 1.771 33.699 31.823 0.175 0.000 1.028 272 V HN -0.002 nan 8.190 nan 0.000 0.430 273 A N 2.065 125.056 122.820 0.285 0.000 2.539 273 A HA 0.884 5.188 4.320 -0.027 0.000 0.296 273 A C -1.974 175.864 177.584 0.425 0.000 1.073 273 A CA -0.653 51.563 52.037 0.299 0.000 0.700 273 A CB 2.035 21.156 19.000 0.201 0.000 1.296 273 A HN 1.492 nan 8.150 nan 0.000 0.405 274 Y N 0.822 121.256 120.300 0.223 0.000 2.346 274 Y HA 0.576 5.110 4.550 -0.028 0.000 0.332 274 Y C -0.663 175.363 175.900 0.209 0.000 0.985 274 Y CA -0.521 57.701 58.100 0.204 0.000 1.112 274 Y CB 1.370 39.880 38.460 0.084 0.000 1.170 274 Y HN 0.909 nan 8.280 nan 0.000 0.447 275 H N 5.648 124.527 119.070 -0.318 0.000 2.562 275 H HA 0.352 4.892 4.556 -0.027 0.000 0.314 275 H C 1.112 176.028 175.328 -0.686 0.000 1.079 275 H CA -0.007 55.875 56.048 -0.277 0.000 1.349 275 H CB 1.063 30.826 29.762 0.001 0.000 1.432 275 H HN 0.845 nan 8.280 nan 0.000 0.479 276 R N 3.783 123.890 120.500 -0.654 0.000 2.100 276 R HA 0.022 4.345 4.340 -0.027 0.000 0.220 276 R C 1.592 177.815 176.300 -0.130 0.000 1.091 276 R CA 1.083 56.954 56.100 -0.382 0.000 0.986 276 R CB -0.116 30.095 30.300 -0.148 0.000 0.888 276 R HN 0.672 nan 8.270 nan 0.000 0.444 277 A N 1.800 124.582 122.820 -0.062 0.000 1.825 277 A HA -0.087 4.216 4.320 -0.027 0.000 0.214 277 A C 2.121 179.794 177.584 0.149 0.000 1.206 277 A CA 1.204 53.299 52.037 0.097 0.000 0.609 277 A CB -0.811 18.314 19.000 0.208 0.000 0.851 277 A HN 0.331 nan 8.150 nan 0.000 0.445 278 L N -0.303 121.074 121.223 0.257 0.000 2.549 278 L HA -0.095 4.228 4.340 -0.027 0.000 0.230 278 L C 0.520 177.386 176.870 -0.008 0.000 1.162 278 L CA 0.683 55.538 54.840 0.025 0.000 0.834 278 L CB -1.010 40.941 42.059 -0.181 0.000 0.947 278 L HN 0.503 nan 8.230 nan 0.000 0.452 279 D N 1.318 121.701 120.400 -0.029 0.000 2.802 279 D HA -0.223 4.401 4.640 -0.027 0.000 0.229 279 D C 0.169 176.428 176.300 -0.067 0.000 1.203 279 D CA 0.758 54.708 54.000 -0.082 0.000 0.712 279 D CB -0.249 40.588 40.800 0.061 0.000 0.973 279 D HN 0.322 nan 8.370 nan 0.000 0.407 280 R N 0.471 120.863 120.500 -0.181 0.000 2.795 280 R HA 0.756 5.080 4.340 -0.027 0.000 0.275 280 R C -0.305 175.929 176.300 -0.110 0.000 0.981 280 R CA -0.838 55.163 56.100 -0.166 0.000 0.917 280 R CB 1.403 31.514 30.300 -0.316 0.000 1.202 280 R HN 0.161 nan 8.270 nan 0.000 0.469 281 I N 2.563 123.041 120.570 -0.152 0.000 2.404 281 I HA 0.355 4.508 4.170 -0.027 0.000 0.293 281 I C -1.076 174.906 176.117 -0.224 0.000 0.992 281 I CA -0.693 60.603 61.300 -0.008 0.000 1.149 281 I CB 1.212 39.252 38.000 0.067 0.000 1.315 281 I HN 0.457 nan 8.210 nan 0.000 0.446 282 Y N 6.286 126.645 120.300 0.098 0.000 2.364 282 Y HA 0.662 5.196 4.550 -0.027 0.000 0.340 282 Y C -0.492 175.468 175.900 0.100 0.000 0.975 282 Y CA -0.884 57.265 58.100 0.082 0.000 1.089 282 Y CB 1.828 40.350 38.460 0.104 0.000 1.192 282 Y HN 0.360 nan 8.280 nan 0.000 0.454 283 L N 3.408 124.761 121.223 0.216 0.000 2.401 283 L HA 0.616 4.940 4.340 -0.027 0.000 0.266 283 L C -1.606 175.382 176.870 0.196 0.000 0.991 283 L CA -0.653 54.298 54.840 0.185 0.000 0.818 283 L CB 1.878 44.016 42.059 0.132 0.000 1.321 283 L HN 0.650 nan 8.230 nan 0.000 0.413 284 L N 5.115 126.457 121.223 0.198 0.000 2.292 284 L HA 0.728 5.052 4.340 -0.027 0.000 0.284 284 L C -0.666 176.340 176.870 0.227 0.000 1.065 284 L CA -0.531 54.434 54.840 0.209 0.000 0.806 284 L CB 1.426 43.597 42.059 0.187 0.000 1.175 284 L HN 0.604 nan 8.230 nan 0.000 0.431 285 V N -0.204 119.887 119.914 0.295 0.000 3.188 285 V HA 0.760 4.864 4.120 -0.027 0.000 0.305 285 V C -1.214 175.152 176.094 0.453 0.000 1.232 285 V CA -0.709 61.800 62.300 0.348 0.000 1.043 285 V CB 2.358 34.404 31.823 0.371 0.000 1.068 285 V HN 0.724 nan 8.190 nan 0.000 0.439 286 D N -0.423 120.164 120.400 0.312 0.000 2.792 286 D HA 0.281 4.905 4.640 -0.027 0.000 0.335 286 D C -1.561 174.497 176.300 -0.404 0.000 1.353 286 D CA -0.461 53.522 54.000 -0.028 0.000 0.839 286 D CB 2.120 42.955 40.800 0.058 0.000 1.396 286 D HN 0.799 nan 8.370 nan 0.000 0.479 287 Q N 0.996 120.382 119.800 -0.691 0.000 2.274 287 Q HA 0.573 4.896 4.340 -0.027 0.000 0.256 287 Q C -0.330 175.531 176.000 -0.232 0.000 0.927 287 Q CA -0.298 55.165 55.803 -0.567 0.000 0.939 287 Q CB 1.891 30.239 28.738 -0.649 0.000 1.201 287 Q HN 0.255 nan 8.270 nan 0.000 0.426 288 R N 0.001 120.426 120.500 -0.124 0.000 2.734 288 R HA 0.424 4.748 4.340 -0.027 0.000 0.271 288 R C -1.454 174.837 176.300 -0.014 0.000 1.021 288 R CA -1.070 55.002 56.100 -0.047 0.000 0.893 288 R CB 0.864 31.160 30.300 -0.007 0.000 1.244 288 R HN 0.495 nan 8.270 nan 0.000 0.464 289 D N 0.331 120.741 120.400 0.017 0.000 2.357 289 D HA -0.038 4.585 4.640 -0.027 0.000 0.242 289 D C 0.912 177.235 176.300 0.039 0.000 1.153 289 D CA -0.166 53.858 54.000 0.040 0.000 0.918 289 D CB 1.155 42.004 40.800 0.081 0.000 1.181 289 D HN 0.706 nan 8.370 nan 0.000 0.435 290 E N 1.655 121.850 120.200 -0.009 0.000 2.113 290 E HA -0.242 4.092 4.350 -0.027 0.000 0.210 290 E C 0.370 176.900 176.600 -0.116 0.000 1.040 290 E CA 1.493 57.802 56.400 -0.152 0.000 0.847 290 E CB -0.077 29.452 29.700 -0.285 0.000 0.755 290 E HN 0.684 nan 8.360 nan 0.000 0.459 291 W N -0.031 121.349 121.300 0.134 0.000 3.086 291 W HA 0.218 4.861 4.660 -0.027 0.000 0.436 291 W C 0.207 176.805 176.519 0.133 0.000 0.939 291 W CA -0.884 56.582 57.345 0.203 0.000 2.108 291 W CB 0.764 30.319 29.460 0.158 0.000 1.093 291 W HN -0.164 nan 8.180 nan 0.000 0.783 292 R N 0.709 121.361 120.500 0.252 0.000 2.903 292 R HA 0.091 4.414 4.340 -0.027 0.000 0.363 292 R C 1.335 177.661 176.300 0.043 0.000 1.161 292 R CA -0.094 56.058 56.100 0.086 0.000 1.109 292 R CB -0.934 29.408 30.300 0.071 0.000 1.399 292 R HN 0.485 nan 8.270 nan 0.000 0.587 293 H N -0.758 118.312 119.070 0.000 0.000 2.462 293 H HA 0.123 4.663 4.556 -0.027 0.000 0.292 293 H C 0.469 175.804 175.328 0.011 0.000 1.049 293 H CA 0.467 56.464 56.048 -0.085 0.000 1.334 293 H CB 0.390 29.931 29.762 -0.367 0.000 1.404 293 H HN 0.036 nan 8.280 nan 0.000 0.544 294 K N 1.856 122.155 120.400 -0.168 0.000 2.458 294 K HA 0.042 4.345 4.320 -0.027 0.000 0.194 294 K C 0.485 177.139 176.600 0.089 0.000 1.024 294 K CA 0.373 56.689 56.287 0.047 0.000 1.108 294 K CB 0.372 32.905 32.500 0.055 0.000 0.846 294 K HN 0.415 nan 8.250 nan 0.000 0.518 295 T N -1.444 113.140 114.554 0.051 0.000 2.849 295 T HA 0.496 4.830 4.350 -0.027 0.000 0.284 295 T C 0.496 175.244 174.700 0.081 0.000 1.004 295 T CA -1.004 61.131 62.100 0.057 0.000 1.021 295 T CB 1.613 70.502 68.868 0.035 0.000 1.013 295 T HN 0.087 nan 8.240 nan 0.000 0.527 296 A N 1.689 124.552 122.820 0.072 0.000 2.429 296 A HA 0.561 4.865 4.320 -0.027 0.000 0.242 296 A C 0.457 178.088 177.584 0.078 0.000 1.088 296 A CA -0.542 51.544 52.037 0.081 0.000 0.784 296 A CB -0.222 18.817 19.000 0.066 0.000 1.038 296 A HN 0.900 nan 8.150 nan 0.000 0.501 297 S N -1.015 114.740 115.700 0.091 0.000 2.569 297 S HA 0.500 4.954 4.470 -0.027 0.000 0.280 297 S C 0.405 175.046 174.600 0.069 0.000 1.111 297 S CA -0.709 57.556 58.200 0.108 0.000 0.887 297 S CB 1.930 65.229 63.200 0.164 0.000 1.095 297 S HN 0.641 nan 8.310 nan 0.000 0.476 298 R N -0.003 120.516 120.500 0.032 0.000 2.334 298 R HA 0.313 4.637 4.340 -0.027 0.000 0.212 298 R C -0.730 175.267 176.300 -0.505 0.000 0.897 298 R CA 0.501 56.450 56.100 -0.252 0.000 1.056 298 R CB 0.235 30.279 30.300 -0.427 0.000 1.046 298 R HN 0.431 nan 8.270 nan 0.000 0.513 299 F N -0.354 119.687 119.950 0.152 0.000 2.618 299 F HA 0.502 5.013 4.527 -0.027 0.000 0.332 299 F C -0.432 175.471 175.800 0.171 0.000 1.061 299 F CA -1.281 56.832 58.000 0.188 0.000 0.974 299 F CB 1.230 40.408 39.000 0.297 0.000 1.310 299 F HN -0.290 nan 8.300 nan 0.000 0.491 300 L N 1.922 123.367 121.223 0.369 0.000 2.409 300 L HA 0.718 5.042 4.340 -0.027 0.000 0.272 300 L C -1.123 175.818 176.870 0.119 0.000 0.980 300 L CA -0.753 54.245 54.840 0.263 0.000 0.826 300 L CB 1.866 44.113 42.059 0.314 0.000 1.268 300 L HN 0.478 nan 8.230 nan 0.000 0.407 301 V N 2.873 122.825 119.914 0.063 0.000 2.472 301 V HA 0.756 4.860 4.120 -0.027 0.000 0.290 301 V C -0.483 175.529 176.094 -0.136 0.000 1.037 301 V CA -0.634 61.610 62.300 -0.093 0.000 0.908 301 V CB 1.574 33.345 31.823 -0.088 0.000 0.985 301 V HN 0.409 nan 8.190 nan 0.000 0.454 302 V N 6.110 125.846 119.914 -0.295 0.000 2.459 302 V HA 0.698 4.801 4.120 -0.027 0.000 0.295 302 V C -0.078 175.838 176.094 -0.297 0.000 1.029 302 V CA -0.451 61.625 62.300 -0.372 0.000 0.874 302 V CB 1.078 32.626 31.823 -0.458 0.000 0.985 302 V HN 1.020 nan 8.190 nan 0.000 0.438 303 L N 0.410 121.471 121.223 -0.269 0.000 2.376 303 L HA 0.763 5.086 4.340 -0.027 0.000 0.258 303 L C -0.517 176.257 176.870 -0.160 0.000 1.013 303 L CA -0.792 53.939 54.840 -0.182 0.000 0.822 303 L CB 1.961 43.946 42.059 -0.123 0.000 1.388 303 L HN 0.447 nan 8.230 nan 0.000 0.413 304 D N 0.823 121.155 120.400 -0.113 0.000 2.389 304 D HA 0.280 4.904 4.640 -0.027 0.000 0.247 304 D C 0.726 177.001 176.300 -0.041 0.000 1.128 304 D CA 0.489 54.442 54.000 -0.079 0.000 0.884 304 D CB 2.292 43.054 40.800 -0.064 0.000 1.194 304 D HN 0.785 nan 8.370 nan 0.000 0.441 305 A N 4.741 127.562 122.820 0.002 0.000 1.970 305 A HA -0.103 4.201 4.320 -0.027 0.000 0.216 305 A C 2.004 179.602 177.584 0.022 0.000 1.170 305 A CA 0.990 53.056 52.037 0.049 0.000 0.645 305 A CB -0.012 19.095 19.000 0.178 0.000 0.816 305 A HN 0.633 nan 8.150 nan 0.000 0.447 306 K N -0.558 119.849 120.400 0.013 0.000 2.031 306 K HA -0.090 4.214 4.320 -0.027 0.000 0.205 306 K C 2.158 178.748 176.600 -0.015 0.000 1.049 306 K CA 1.900 58.186 56.287 -0.002 0.000 0.939 306 K CB -0.197 32.302 32.500 -0.002 0.000 0.717 306 K HN 0.669 nan 8.250 nan 0.000 0.438 307 T N -4.102 110.438 114.554 -0.023 0.000 3.023 307 T HA 0.197 4.531 4.350 -0.027 0.000 0.249 307 T C 1.430 176.107 174.700 -0.037 0.000 1.050 307 T CA 0.494 62.576 62.100 -0.030 0.000 1.088 307 T CB 0.664 69.511 68.868 -0.034 0.000 0.946 307 T HN 0.315 nan 8.240 nan 0.000 0.480 308 G N 1.559 110.333 108.800 -0.042 0.000 2.141 308 G HA2 -0.245 3.698 3.960 -0.027 0.000 0.242 308 G HA3 -0.245 3.698 3.960 -0.027 0.000 0.242 308 G C -0.201 174.661 174.900 -0.064 0.000 0.982 308 G CA 0.178 45.247 45.100 -0.051 0.000 0.662 308 G HN 0.858 nan 8.290 nan 0.000 0.527 309 E N 0.441 120.602 120.200 -0.065 0.000 2.299 309 E HA 0.375 4.709 4.350 -0.027 0.000 0.272 309 E C 0.872 177.414 176.600 -0.096 0.000 1.043 309 E CA -0.797 55.559 56.400 -0.073 0.000 0.895 309 E CB 0.308 29.969 29.700 -0.064 0.000 1.011 309 E HN 0.331 nan 8.360 nan 0.000 0.432 310 R N 5.009 125.445 120.500 -0.107 0.000 2.399 310 R HA 0.005 4.328 4.340 -0.027 0.000 0.324 310 R C 0.311 176.527 176.300 -0.140 0.000 1.030 310 R CA 0.383 56.402 56.100 -0.136 0.000 0.984 310 R CB 0.033 30.248 30.300 -0.141 0.000 0.961 310 R HN 0.719 nan 8.270 nan 0.000 0.433 311 L N 2.500 123.623 121.223 -0.167 0.000 2.249 311 L HA 0.327 4.651 4.340 -0.027 0.000 0.207 311 L C 0.711 177.472 176.870 -0.181 0.000 1.090 311 L CA 0.734 55.480 54.840 -0.156 0.000 0.802 311 L CB -0.231 41.730 42.059 -0.164 0.000 0.947 311 L HN 0.803 nan 8.230 nan 0.000 0.453 312 A N -0.544 122.107 122.820 -0.281 0.000 2.586 312 A HA 0.562 4.866 4.320 -0.027 0.000 0.291 312 A C -1.379 175.907 177.584 -0.496 0.000 1.062 312 A CA -0.575 51.232 52.037 -0.384 0.000 0.666 312 A CB 1.686 20.343 19.000 -0.572 0.000 1.281 312 A HN -0.095 nan 8.150 nan 0.000 0.421 313 K N 1.411 121.547 120.400 -0.440 0.000 2.637 313 K HA 0.526 4.830 4.320 -0.027 0.000 0.248 313 K C -1.929 174.656 176.600 -0.025 0.000 0.971 313 K CA -0.271 55.857 56.287 -0.264 0.000 0.858 313 K CB 0.658 33.074 32.500 -0.139 0.000 1.170 313 K HN 0.487 nan 8.250 nan 0.000 0.443 314 F N 1.515 121.543 119.950 0.131 0.000 2.397 314 F HA 0.331 4.841 4.527 -0.027 0.000 0.331 314 F C 0.794 176.680 175.800 0.144 0.000 1.090 314 F CA -0.995 57.063 58.000 0.097 0.000 1.065 314 F CB 1.137 40.152 39.000 0.025 0.000 1.184 314 F HN 0.419 nan 8.300 nan 0.000 0.499 315 E N 3.056 123.425 120.200 0.282 0.000 2.101 315 E HA 0.197 4.531 4.350 -0.027 0.000 0.260 315 E C 0.449 176.991 176.600 -0.096 0.000 0.897 315 E CA -0.424 55.992 56.400 0.026 0.000 0.744 315 E CB 0.633 30.405 29.700 0.119 0.000 1.140 315 E HN 0.510 nan 8.360 nan 0.000 0.419 316 M N 2.105 121.580 119.600 -0.208 0.000 2.132 316 M HA 0.035 4.499 4.480 -0.027 0.000 0.263 316 M C 1.662 177.815 176.300 -0.245 0.000 1.065 316 M CA 1.677 56.861 55.300 -0.193 0.000 1.122 316 M CB -1.008 31.485 32.600 -0.178 0.000 1.365 316 M HN 0.830 nan 8.290 nan 0.000 0.411 317 G N -0.455 108.113 108.800 -0.387 0.000 2.225 317 G HA2 -0.241 3.702 3.960 -0.027 0.000 0.254 317 G HA3 -0.241 3.702 3.960 -0.027 0.000 0.254 317 G C 0.119 174.555 174.900 -0.773 0.000 0.988 317 G CA 0.652 45.431 45.100 -0.536 0.000 0.625 317 G HN 0.556 nan 8.290 nan 0.000 0.527 318 H N -0.294 118.619 119.070 -0.262 0.000 2.864 318 H HA 0.651 5.191 4.556 -0.027 0.000 0.354 318 H C -0.476 174.760 175.328 -0.153 0.000 1.208 318 H CA -0.857 55.038 56.048 -0.256 0.000 1.191 318 H CB 1.076 30.533 29.762 -0.509 0.000 1.889 318 H HN 0.144 nan 8.280 nan 0.000 0.574 319 E N 1.668 121.906 120.200 0.064 0.000 2.052 319 E HA 0.146 4.480 4.350 -0.027 0.000 0.283 319 E C -0.377 176.278 176.600 0.093 0.000 1.071 319 E CA -0.305 56.124 56.400 0.049 0.000 0.851 319 E CB 0.534 30.261 29.700 0.046 0.000 1.066 319 E HN 0.201 nan 8.360 nan 0.000 0.396 320 I N 2.295 122.919 120.570 0.090 0.000 2.498 320 I HA 0.139 4.292 4.170 -0.027 0.000 0.301 320 I C 0.938 177.128 176.117 0.122 0.000 0.984 320 I CA -0.152 61.224 61.300 0.127 0.000 1.204 320 I CB 1.304 39.382 38.000 0.130 0.000 1.362 320 I HN 0.525 nan 8.210 nan 0.000 0.471 321 D N 1.871 122.350 120.400 0.131 0.000 2.482 321 D HA 0.108 4.731 4.640 -0.027 0.000 0.251 321 D C -0.113 176.296 176.300 0.181 0.000 1.073 321 D CA 0.599 54.685 54.000 0.143 0.000 0.892 321 D CB 1.229 42.088 40.800 0.097 0.000 1.202 321 D HN 0.426 nan 8.370 nan 0.000 0.496 322 S N 0.386 116.187 115.700 0.169 0.000 2.546 322 S HA 0.626 5.079 4.470 -0.027 0.000 0.274 322 S C -0.297 174.407 174.600 0.173 0.000 1.121 322 S CA -0.769 57.540 58.200 0.181 0.000 0.887 322 S CB 2.538 65.859 63.200 0.203 0.000 1.094 322 S HN 0.158 nan 8.310 nan 0.000 0.474 323 I N -0.097 120.578 120.570 0.174 0.000 3.042 323 I HA 0.791 4.945 4.170 -0.027 0.000 0.310 323 I C -0.714 175.510 176.117 0.178 0.000 1.117 323 I CA -0.700 60.703 61.300 0.172 0.000 1.003 323 I CB 2.273 40.362 38.000 0.148 0.000 1.228 323 I HN 0.548 nan 8.210 nan 0.000 0.443 324 N N 1.124 119.930 118.700 0.176 0.000 3.261 324 N HA 0.643 5.367 4.740 -0.027 0.000 0.248 324 N C -2.127 173.439 175.510 0.094 0.000 1.498 324 N CA -0.236 52.920 53.050 0.177 0.000 0.884 324 N CB 2.592 41.228 38.487 0.249 0.000 1.428 324 N HN 0.578 nan 8.380 nan 0.000 0.517 325 V N 0.613 120.557 119.914 0.050 0.000 3.049 325 V HA 0.487 4.590 4.120 -0.027 0.000 0.309 325 V C 0.050 176.110 176.094 -0.056 0.000 1.148 325 V CA -0.731 61.467 62.300 -0.169 0.000 0.990 325 V CB 1.876 33.581 31.823 -0.198 0.000 1.039 325 V HN 0.859 nan 8.190 nan 0.000 0.430 326 S N 2.556 118.157 115.700 -0.166 0.000 2.600 326 S HA 0.308 4.762 4.470 -0.027 0.000 0.265 326 S C -0.037 174.569 174.600 0.011 0.000 1.325 326 S CA -0.497 57.720 58.200 0.028 0.000 1.002 326 S CB 0.832 64.043 63.200 0.019 0.000 0.921 326 S HN 0.668 nan 8.310 nan 0.000 0.554 327 Q N 1.513 121.303 119.800 -0.015 0.000 2.241 327 Q HA 0.229 4.552 4.340 -0.027 0.000 0.296 327 Q C -0.738 175.220 176.000 -0.070 0.000 0.889 327 Q CA -0.250 55.452 55.803 -0.169 0.000 1.089 327 Q CB 0.064 28.703 28.738 -0.164 0.000 1.195 327 Q HN 0.855 nan 8.270 nan 0.000 0.451 328 D N -1.919 118.531 120.400 0.083 0.000 2.449 328 D HA 0.117 4.741 4.640 -0.027 0.000 0.250 328 D C 0.738 177.151 176.300 0.188 0.000 1.050 328 D CA -0.716 53.345 54.000 0.101 0.000 1.024 328 D CB 0.961 41.799 40.800 0.063 0.000 1.218 328 D HN -0.174 nan 8.370 nan 0.000 0.566 329 E N -0.933 119.329 120.200 0.103 0.000 2.085 329 E HA -0.193 4.141 4.350 -0.027 0.000 0.194 329 E C 0.186 176.800 176.600 0.023 0.000 0.994 329 E CA 1.312 57.752 56.400 0.066 0.000 0.801 329 E CB 0.161 29.884 29.700 0.038 0.000 0.743 329 E HN 0.125 nan 8.360 nan 0.000 0.453 330 K N 0.993 121.406 120.400 0.021 0.000 2.499 330 K HA 0.194 4.497 4.320 -0.027 0.000 0.215 330 K C -2.637 173.955 176.600 -0.014 0.000 1.041 330 K CA -2.659 53.623 56.287 -0.008 0.000 1.031 330 K CB 1.020 33.517 32.500 -0.004 0.000 1.479 330 K HN -0.018 nan 8.250 nan 0.000 0.518 331 P HA 0.220 nan 4.420 nan 0.000 0.278 331 P C -0.830 176.398 177.300 -0.120 0.000 1.258 331 P CA -0.725 62.352 63.100 -0.038 0.000 0.811 331 P CB 1.184 32.915 31.700 0.051 0.000 1.063 332 L N 1.180 122.260 121.223 -0.238 0.000 2.344 332 L HA 0.432 4.755 4.340 -0.027 0.000 0.272 332 L C 0.334 176.881 176.870 -0.538 0.000 1.035 332 L CA -0.643 53.985 54.840 -0.354 0.000 0.807 332 L CB 0.592 42.395 42.059 -0.427 0.000 1.237 332 L HN 0.347 nan 8.230 nan 0.000 0.442 333 L N 2.983 123.980 121.223 -0.376 0.000 2.298 333 L HA 0.417 4.741 4.340 -0.027 0.000 0.284 333 L C -1.316 175.479 176.870 -0.125 0.000 1.013 333 L CA -0.641 54.018 54.840 -0.302 0.000 0.824 333 L CB 0.857 42.818 42.059 -0.163 0.000 1.221 333 L HN 0.425 nan 8.230 nan 0.000 0.418 334 Y N 3.572 123.892 120.300 0.033 0.000 2.341 334 Y HA 0.497 5.031 4.550 -0.026 0.000 0.340 334 Y C 0.522 176.485 175.900 0.105 0.000 0.997 334 Y CA -0.943 57.201 58.100 0.073 0.000 1.149 334 Y CB 1.531 40.020 38.460 0.047 0.000 1.171 334 Y HN 0.562 nan 8.280 nan 0.000 0.494 335 A N 4.938 127.960 122.820 0.338 0.000 2.285 335 A HA 0.656 4.960 4.320 -0.027 0.000 0.310 335 A C -1.514 176.234 177.584 0.273 0.000 1.266 335 A CA -0.644 51.567 52.037 0.290 0.000 0.832 335 A CB 0.460 19.662 19.000 0.335 0.000 1.163 335 A HN 0.672 nan 8.150 nan 0.000 0.499 336 L N 2.788 124.122 121.223 0.185 0.000 2.322 336 L HA 0.717 5.041 4.340 -0.027 0.000 0.281 336 L C -0.002 176.936 176.870 0.114 0.000 1.014 336 L CA 0.059 54.961 54.840 0.103 0.000 0.815 336 L CB 2.033 44.115 42.059 0.038 0.000 1.247 336 L HN 0.475 nan 8.230 nan 0.000 0.421 337 S N 2.476 118.238 115.700 0.102 0.000 2.448 337 S HA 0.328 4.781 4.470 -0.027 0.000 0.320 337 S C 0.911 175.519 174.600 0.014 0.000 1.071 337 S CA -0.282 57.985 58.200 0.111 0.000 1.113 337 S CB 0.761 64.105 63.200 0.239 0.000 0.972 337 S HN 0.872 nan 8.310 nan 0.000 0.465 338 T N 4.428 118.978 114.554 -0.008 0.000 2.777 338 T HA -0.029 4.305 4.350 -0.027 0.000 0.266 338 T C 2.054 176.740 174.700 -0.023 0.000 1.040 338 T CA 1.540 63.606 62.100 -0.058 0.000 1.141 338 T CB -0.664 68.148 68.868 -0.093 0.000 0.868 338 T HN 0.764 nan 8.240 nan 0.000 0.444 339 G N 1.283 110.090 108.800 0.011 0.000 2.462 339 G HA2 -0.188 3.755 3.960 -0.027 0.000 0.220 339 G HA3 -0.188 3.755 3.960 -0.027 0.000 0.220 339 G C 1.110 176.016 174.900 0.010 0.000 1.121 339 G CA 0.858 45.970 45.100 0.021 0.000 0.758 339 G HN 0.401 nan 8.290 nan 0.000 0.559 340 D N 0.091 120.496 120.400 0.009 0.000 2.360 340 D HA 0.103 4.726 4.640 -0.027 0.000 0.210 340 D C 0.849 177.095 176.300 -0.090 0.000 1.047 340 D CA -0.014 53.978 54.000 -0.013 0.000 0.854 340 D CB 0.099 40.929 40.800 0.050 0.000 0.936 340 D HN 0.249 nan 8.370 nan 0.000 0.514 341 K N 0.045 120.380 120.400 -0.108 0.000 3.071 341 K HA -0.148 4.155 4.320 -0.027 0.000 0.262 341 K C -0.597 175.844 176.600 -0.265 0.000 0.977 341 K CA 0.641 56.817 56.287 -0.185 0.000 0.721 341 K CB -1.944 30.446 32.500 -0.183 0.000 1.293 341 K HN 0.085 nan 8.250 nan 0.000 0.475 342 T N 0.369 114.753 114.554 -0.283 0.000 2.893 342 T HA 0.505 4.838 4.350 -0.027 0.000 0.293 342 T C -1.074 173.315 174.700 -0.518 0.000 1.027 342 T CA -0.912 60.911 62.100 -0.461 0.000 0.988 342 T CB 1.808 70.292 68.868 -0.640 0.000 1.043 342 T HN 0.181 nan 8.240 nan 0.000 0.461 343 L N 3.680 124.582 121.223 -0.534 0.000 2.264 343 L HA 0.525 4.848 4.340 -0.027 0.000 0.287 343 L C -1.500 175.087 176.870 -0.473 0.000 1.039 343 L CA -0.498 54.122 54.840 -0.367 0.000 0.829 343 L CB -0.236 41.664 42.059 -0.265 0.000 1.211 343 L HN 0.583 nan 8.230 nan 0.000 0.427 344 Y N 5.229 125.500 120.300 -0.048 0.000 2.308 344 Y HA 0.479 5.013 4.550 -0.027 0.000 0.329 344 Y C 0.196 176.140 175.900 0.073 0.000 1.111 344 Y CA -0.379 57.680 58.100 -0.068 0.000 1.179 344 Y CB 0.972 39.389 38.460 -0.071 0.000 1.201 344 Y HN 0.407 nan 8.280 nan 0.000 0.483 345 I N 4.531 125.175 120.570 0.123 0.000 2.354 345 I HA 0.238 4.392 4.170 -0.027 0.000 0.286 345 I C -0.259 175.914 176.117 0.092 0.000 1.007 345 I CA -0.260 61.157 61.300 0.195 0.000 1.167 345 I CB 0.372 38.463 38.000 0.151 0.000 1.320 345 I HN 0.658 nan 8.210 nan 0.000 0.458 346 H N 3.290 122.370 119.070 0.016 0.000 2.651 346 H HA 0.231 4.771 4.556 -0.027 0.000 0.353 346 H C -0.975 174.281 175.328 -0.120 0.000 1.178 346 H CA -0.910 55.102 56.048 -0.060 0.000 1.224 346 H CB 2.139 31.844 29.762 -0.095 0.000 1.702 346 H HN 0.424 nan 8.280 nan 0.000 0.550 347 D N 0.239 120.636 120.400 -0.006 0.000 2.401 347 D HA 0.107 4.731 4.640 -0.027 0.000 0.254 347 D C 0.779 177.012 176.300 -0.113 0.000 1.192 347 D CA 0.077 54.037 54.000 -0.067 0.000 0.885 347 D CB 0.986 41.744 40.800 -0.071 0.000 1.147 347 D HN 0.597 nan 8.370 nan 0.000 0.478 348 A N 3.838 126.617 122.820 -0.068 0.000 2.014 348 A HA -0.121 4.183 4.320 -0.027 0.000 0.218 348 A C 1.912 179.616 177.584 0.201 0.000 1.163 348 A CA 1.009 53.063 52.037 0.028 0.000 0.652 348 A CB -0.368 18.619 19.000 -0.022 0.000 0.808 348 A HN 0.621 nan 8.150 nan 0.000 0.449 349 E N 0.778 121.037 120.200 0.099 0.000 2.017 349 E HA -0.135 4.199 4.350 -0.027 0.000 0.193 349 E C 2.328 179.053 176.600 0.208 0.000 0.997 349 E CA 2.092 58.581 56.400 0.148 0.000 0.804 349 E CB -0.211 29.523 29.700 0.056 0.000 0.757 349 E HN 0.657 nan 8.360 nan 0.000 0.448 350 S N -2.229 113.468 115.700 -0.005 0.000 2.492 350 S HA 0.255 4.709 4.470 -0.027 0.000 0.218 350 S C 1.677 175.962 174.600 -0.524 0.000 1.016 350 S CA 0.449 58.603 58.200 -0.078 0.000 0.916 350 S CB 0.547 63.716 63.200 -0.051 0.000 0.791 350 S HN 0.465 nan 8.310 nan 0.000 0.513 351 G N 1.590 109.799 108.800 -0.985 0.000 2.162 351 G HA2 -0.321 3.623 3.960 -0.027 0.000 0.260 351 G HA3 -0.321 3.623 3.960 -0.027 0.000 0.260 351 G C -0.165 174.509 174.900 -0.377 0.000 0.976 351 G CA 0.318 44.644 45.100 -1.289 0.000 0.655 351 G HN 0.731 nan 8.290 nan 0.000 0.533 352 E N 0.988 121.067 120.200 -0.202 0.000 2.351 352 E HA 0.285 4.618 4.350 -0.027 0.000 0.266 352 E C 0.575 177.203 176.600 0.047 0.000 1.031 352 E CA -0.363 56.013 56.400 -0.041 0.000 0.911 352 E CB 0.222 29.890 29.700 -0.054 0.000 0.986 352 E HN 0.451 nan 8.360 nan 0.000 0.446 353 E N 4.177 124.401 120.200 0.040 0.000 2.417 353 E HA -0.078 4.256 4.350 -0.027 0.000 0.261 353 E C 0.061 176.571 176.600 -0.150 0.000 1.000 353 E CA -0.165 56.041 56.400 -0.323 0.000 0.919 353 E CB 0.608 30.084 29.700 -0.374 0.000 0.955 353 E HN 0.555 nan 8.360 nan 0.000 0.455 354 L N 4.337 125.484 121.223 -0.126 0.000 2.500 354 L HA 0.310 4.633 4.340 -0.027 0.000 0.219 354 L C 0.664 177.505 176.870 -0.047 0.000 1.057 354 L CA 0.776 55.580 54.840 -0.059 0.000 0.854 354 L CB 0.153 42.191 42.059 -0.034 0.000 1.078 354 L HN 0.481 nan 8.230 nan 0.000 0.480 355 R N -1.936 118.530 120.500 -0.056 0.000 2.733 355 R HA 0.643 4.967 4.340 -0.027 0.000 0.272 355 R C -1.225 175.032 176.300 -0.072 0.000 1.029 355 R CA -0.362 55.707 56.100 -0.052 0.000 0.888 355 R CB 2.216 32.492 30.300 -0.040 0.000 1.251 355 R HN 0.002 nan 8.270 nan 0.000 0.464 356 S N -0.480 115.151 115.700 -0.116 0.000 2.556 356 S HA 0.659 5.112 4.470 -0.027 0.000 0.271 356 S C -1.311 173.146 174.600 -0.238 0.000 1.135 356 S CA -0.819 57.235 58.200 -0.245 0.000 0.858 356 S CB 2.169 65.176 63.200 -0.322 0.000 1.114 356 S HN 0.193 nan 8.310 nan 0.000 0.468 357 V N 3.401 123.134 119.914 -0.302 0.000 2.409 357 V HA 0.460 4.564 4.120 -0.027 0.000 0.290 357 V C -0.533 175.366 176.094 -0.326 0.000 1.017 357 V CA -0.723 61.425 62.300 -0.254 0.000 0.841 357 V CB 0.954 32.639 31.823 -0.230 0.000 1.003 357 V HN 1.025 nan 8.190 nan 0.000 0.426 358 N N 3.275 121.804 118.700 -0.286 0.000 2.495 358 N HA 0.332 5.055 4.740 -0.027 0.000 0.294 358 N C -0.077 175.265 175.510 -0.279 0.000 1.276 358 N CA -0.857 52.019 53.050 -0.290 0.000 0.973 358 N CB 0.135 38.489 38.487 -0.221 0.000 1.143 358 N HN 0.540 nan 8.380 nan 0.000 0.589 359 Q N -1.688 117.960 119.800 -0.253 0.000 2.459 359 Q HA -0.142 4.181 4.340 -0.027 0.000 0.322 359 Q C -1.334 174.443 176.000 -0.371 0.000 1.427 359 Q CA 0.199 55.859 55.803 -0.239 0.000 0.861 359 Q CB -1.294 27.348 28.738 -0.159 0.000 1.137 359 Q HN 0.373 nan 8.270 nan 0.000 0.394 360 L N 0.743 121.662 121.223 -0.506 0.000 2.581 360 L HA 0.524 4.848 4.340 -0.027 0.000 0.241 360 L C 1.006 177.481 176.870 -0.659 0.000 1.265 360 L CA 1.518 55.766 54.840 -0.987 0.000 0.954 360 L CB 0.645 42.186 42.059 -0.864 0.000 1.269 360 L HN 0.548 nan 8.230 nan 0.000 0.475 361 G N 0.942 109.538 108.800 -0.341 0.000 2.598 361 G HA2 -0.298 3.646 3.960 -0.027 0.000 0.244 361 G HA3 -0.298 3.646 3.960 -0.027 0.000 0.244 361 G C 0.776 175.487 174.900 -0.314 0.000 1.302 361 G CA 0.270 45.285 45.100 -0.141 0.000 0.903 361 G HN 0.536 nan 8.290 nan 0.000 0.575 362 H N 0.449 119.516 119.070 -0.004 0.000 2.604 362 H HA 0.333 4.873 4.556 -0.027 0.000 0.273 362 H C 1.859 177.165 175.328 -0.037 0.000 0.971 362 H CA 1.073 57.123 56.048 0.003 0.000 1.249 362 H CB 0.986 30.778 29.762 0.050 0.000 1.449 362 H HN 1.078 nan 8.280 nan 0.000 0.512 363 G N 2.604 111.351 108.800 -0.088 0.000 4.876 363 G HA2 0.137 4.081 3.960 -0.027 0.000 0.219 363 G HA3 0.137 4.081 3.960 -0.027 0.000 0.219 363 G C -2.935 171.767 174.900 -0.331 0.000 0.877 363 G CA -0.687 44.186 45.100 -0.378 0.000 0.718 363 G HN -0.021 nan 8.290 nan 0.000 0.518 364 P HA 0.157 nan 4.420 nan 0.000 0.271 364 P C -0.273 176.915 177.300 -0.188 0.000 1.216 364 P CA 0.362 63.362 63.100 -0.166 0.000 0.776 364 P CB 2.189 33.782 31.700 -0.178 0.000 0.881 365 Q N 0.634 120.339 119.800 -0.159 0.000 2.104 365 Q HA 0.185 4.509 4.340 -0.027 0.000 0.240 365 Q C -0.330 175.700 176.000 0.052 0.000 0.743 365 Q CA 0.118 55.809 55.803 -0.186 0.000 0.920 365 Q CB 1.177 29.599 28.738 -0.527 0.000 1.198 365 Q HN 0.250 nan 8.270 nan 0.000 0.465 366 V N 1.734 121.697 119.914 0.082 0.000 2.604 366 V HA 0.488 4.592 4.120 -0.027 0.000 0.305 366 V C -0.606 175.562 176.094 0.124 0.000 1.043 366 V CA -0.610 61.793 62.300 0.172 0.000 0.888 366 V CB 2.041 33.977 31.823 0.187 0.000 0.995 366 V HN 0.125 nan 8.190 nan 0.000 0.429 367 I N 3.178 123.830 120.570 0.136 0.000 2.441 367 I HA 0.619 4.773 4.170 -0.027 0.000 0.295 367 I C -0.144 176.055 176.117 0.137 0.000 0.994 367 I CA -0.162 61.204 61.300 0.109 0.000 1.144 367 I CB 2.230 40.297 38.000 0.112 0.000 1.314 367 I HN 0.537 nan 8.210 nan 0.000 0.445 368 T N 2.979 117.622 114.554 0.148 0.000 2.921 368 T HA 0.549 4.882 4.350 -0.027 0.000 0.297 368 T C -0.304 174.521 174.700 0.209 0.000 1.013 368 T CA -0.718 61.467 62.100 0.142 0.000 0.990 368 T CB 1.849 70.744 68.868 0.045 0.000 1.023 368 T HN 0.742 nan 8.240 nan 0.000 0.447 369 T N -0.440 114.230 114.554 0.193 0.000 2.930 369 T HA 0.878 5.212 4.350 -0.027 0.000 0.290 369 T C -0.487 174.303 174.700 0.150 0.000 1.052 369 T CA -1.042 61.190 62.100 0.219 0.000 1.017 369 T CB 1.851 70.864 68.868 0.242 0.000 1.137 369 T HN 0.743 nan 8.240 nan 0.000 0.511 370 A N 0.794 123.695 122.820 0.136 0.000 2.325 370 A HA 0.616 4.919 4.320 -0.027 0.000 0.333 370 A C -0.331 177.288 177.584 0.058 0.000 1.155 370 A CA -0.697 51.382 52.037 0.070 0.000 0.814 370 A CB 0.825 19.856 19.000 0.052 0.000 1.206 370 A HN 0.857 nan 8.150 nan 0.000 0.482 371 D N 2.953 123.372 120.400 0.032 0.000 2.468 371 D HA 0.349 4.973 4.640 -0.027 0.000 0.218 371 D C -0.156 176.146 176.300 0.003 0.000 1.155 371 D CA 0.292 54.295 54.000 0.005 0.000 0.924 371 D CB 0.014 40.809 40.800 -0.007 0.000 1.029 371 D HN 0.459 nan 8.370 nan 0.000 0.515 372 M N 1.416 121.022 119.600 0.010 0.000 2.359 372 M HA 0.593 5.057 4.480 -0.027 0.000 0.322 372 M C 0.757 177.061 176.300 0.007 0.000 1.166 372 M CA -0.376 54.931 55.300 0.011 0.000 1.067 372 M CB 2.004 34.618 32.600 0.023 0.000 1.523 372 M HN 0.416 nan 8.290 nan 0.000 0.467 373 G N 0.000 108.805 108.800 0.009 0.000 5.446 373 G HA2 0.000 3.944 3.960 -0.027 0.000 0.244 373 G HA3 0.000 3.944 3.960 -0.027 0.000 0.244 373 G CA 0.000 45.106 45.100 0.010 0.000 0.502 373 G HN 0.000 nan 8.290 nan 0.000 0.925