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 1fug_1_B DATA FIRST_RESID 1 DATA SEQUENCE AKHLFTSESV SEGHPDKIAD QISDAVLDAI LEQDPKARVA CETYVKTGMV DATA SEQUENCE LVGGEITTSA WVDIEEITRN TVREIGYVHS DMGFDANSCA VLSAIGKQSP DATA SEQUENCE DINQGVDRAD PLEQGAGDQG LMFGYATNET DVLMPAPITY AHRLVQRQAE DATA SEQUENCE VRKNGTLPWL RPDAKSQVTF QYDDGKIVGI DAVVLSTQHS EEIDQKSLQE DATA SEQUENCE AVMEEIIKPI LPAEWLTSAT KFFINPTGRF VIGGPMGDCG LTGRKIIVDT DATA SEQUENCE YGGMARHGGG AFSGKDPSKV DRSAAYAARY VAKNIVAAGL ADRCEIQVSY DATA SEQUENCE AIGVAEPTSI MVETFGTEKV PSEQLTLLVR EFFDLRPYGL IQMLDLLHPI DATA SEQUENCE YKETAAYGHF GREHFPWEKT DKAQLLRDAA GLK 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.522 177.584 -0.104 0.000 1.274 1 A CA 0.000 51.980 52.037 -0.096 0.000 0.836 1 A CB 0.000 18.932 19.000 -0.113 0.000 0.831 2 K N -2.245 118.047 120.400 -0.181 0.000 2.736 2 K HA 0.423 nan 4.320 nan 0.000 0.290 2 K C -2.137 174.330 176.600 -0.222 0.000 1.033 2 K CA -0.553 55.664 56.287 -0.117 0.000 0.852 2 K CB 1.972 34.456 32.500 -0.027 0.000 1.494 2 K HN 0.225 8.303 8.250 -0.287 0.000 0.378 3 H N -1.196 117.901 119.070 0.045 0.000 2.980 3 H HA 0.262 nan 4.556 nan 0.000 0.367 3 H C -2.275 173.080 175.328 0.045 0.000 1.206 3 H CA -1.301 54.734 56.048 -0.021 0.000 1.126 3 H CB 4.430 34.087 29.762 -0.176 0.000 1.838 3 H HN 0.515 8.742 8.280 0.127 0.129 0.552 4 L N -0.231 121.078 121.223 0.144 0.000 2.352 4 L HA 0.514 nan 4.340 nan 0.000 0.269 4 L C -1.526 175.350 176.870 0.011 0.000 1.034 4 L CA -0.170 54.750 54.840 0.133 0.000 0.806 4 L CB 1.901 44.014 42.059 0.090 0.000 1.244 4 L HN 0.264 8.551 8.230 0.094 0.000 0.447 5 F N 1.229 121.262 119.950 0.137 0.000 2.740 5 F HA 0.438 nan 4.527 nan 0.000 0.357 5 F C -1.115 174.692 175.800 0.011 0.000 1.141 5 F CA -1.421 56.604 58.000 0.042 0.000 1.044 5 F CB 4.209 43.259 39.000 0.083 0.000 1.430 5 F HN 0.388 8.911 8.300 0.371 0.000 0.518 6 T N 0.683 115.426 114.554 0.316 0.000 2.840 6 T HA 0.316 nan 4.350 nan 0.000 0.317 6 T C -2.354 172.323 174.700 -0.038 0.000 1.401 6 T CA -0.183 61.967 62.100 0.082 0.000 1.028 6 T CB 2.104 71.001 68.868 0.048 0.000 1.317 6 T HN -0.230 8.294 8.240 0.473 0.000 0.495 7 S N 1.228 116.856 115.700 -0.120 0.000 2.668 7 S HA 0.400 nan 4.470 nan 0.000 0.277 7 S C -1.678 172.827 174.600 -0.160 0.000 1.170 7 S CA -0.409 57.685 58.200 -0.176 0.000 0.994 7 S CB 3.087 66.131 63.200 -0.260 0.000 1.051 7 S HN -0.065 8.176 8.310 -0.115 0.000 0.484 8 E N 3.333 123.449 120.200 -0.141 0.000 2.622 8 E HA 0.516 nan 4.350 nan 0.000 0.255 8 E C -0.734 175.758 176.600 -0.180 0.000 1.313 8 E CA -0.586 55.733 56.400 -0.136 0.000 1.011 8 E CB 0.943 30.580 29.700 -0.105 0.000 1.173 8 E HN 0.083 8.366 8.360 -0.129 0.000 0.601 9 S N -2.558 113.051 115.700 -0.151 0.000 2.636 9 S HA 0.309 nan 4.470 nan 0.000 0.266 9 S C -2.294 172.249 174.600 -0.094 0.000 1.147 9 S CA -0.536 57.587 58.200 -0.127 0.000 0.815 9 S CB 2.993 66.125 63.200 -0.114 0.000 1.119 9 S HN -0.101 8.130 8.310 -0.132 0.000 0.470 10 V N -4.591 115.317 119.914 -0.009 0.000 3.049 10 V HA 0.815 nan 4.120 nan 0.000 0.309 10 V C -1.985 174.229 176.094 0.199 0.000 1.148 10 V CA -3.181 59.108 62.300 -0.019 0.000 0.990 10 V CB 3.706 35.433 31.823 -0.160 0.000 1.039 10 V HN 0.158 8.402 8.190 0.090 0.000 0.430 11 S N 1.531 117.350 115.700 0.199 0.000 2.598 11 S HA 0.368 nan 4.470 nan 0.000 0.267 11 S C 1.631 176.324 174.600 0.156 0.000 1.189 11 S CA -0.829 57.600 58.200 0.381 0.000 1.010 11 S CB 1.921 65.255 63.200 0.223 0.000 1.084 11 S HN 0.123 8.490 8.310 0.095 0.000 0.541 12 E N -1.196 119.051 120.200 0.077 0.000 2.516 12 E HA -0.132 nan 4.350 nan 0.000 0.199 12 E C 0.504 177.128 176.600 0.040 0.000 1.069 12 E CA 1.181 57.544 56.400 -0.061 0.000 0.876 12 E CB -0.658 28.988 29.700 -0.091 0.000 0.843 12 E HN 0.243 8.793 8.360 0.317 0.000 0.530 13 G N -1.053 107.797 108.800 0.084 0.000 2.492 13 G HA2 -0.107 nan 3.960 nan 0.000 0.214 13 G HA3 -0.107 nan 3.960 nan 0.000 0.214 13 G C -0.434 174.569 174.900 0.172 0.000 1.147 13 G CA -0.091 45.079 45.100 0.116 0.000 0.809 13 G HN -0.378 7.911 8.290 0.105 0.064 0.533 14 H N 4.022 123.114 119.070 0.037 0.000 2.764 14 H HA 0.154 nan 4.556 nan 0.000 0.341 14 H C -1.106 174.223 175.328 0.002 0.000 1.072 14 H CA -1.115 54.944 56.048 0.020 0.000 1.444 14 H CB 1.091 30.860 29.762 0.012 0.000 1.458 14 H HN -0.634 7.760 8.280 0.190 0.000 0.572 15 P HA -0.396 nan 4.420 nan 0.000 0.216 15 P C 1.199 178.361 177.300 -0.230 0.000 1.167 15 P CA 3.292 66.236 63.100 -0.261 0.000 0.914 15 P CB 0.198 31.674 31.700 -0.372 0.000 0.793 16 D N -3.626 116.559 120.400 -0.359 0.000 2.133 16 D HA -0.318 nan 4.640 nan 0.000 0.195 16 D C 2.454 178.756 176.300 0.003 0.000 0.997 16 D CA 3.613 57.540 54.000 -0.121 0.000 0.840 16 D CB -0.929 39.846 40.800 -0.042 0.000 0.947 16 D HN 0.440 8.304 8.370 -0.843 0.000 0.452 17 K N -0.965 119.484 120.400 0.082 0.000 2.097 17 K HA -0.185 nan 4.320 nan 0.000 0.205 17 K C 2.338 178.946 176.600 0.013 0.000 1.050 17 K CA 2.118 58.438 56.287 0.054 0.000 0.938 17 K CB -0.380 32.154 32.500 0.057 0.000 0.718 17 K HN -0.343 7.916 8.250 0.161 0.088 0.442 18 I N 0.212 120.783 120.570 0.001 0.000 2.264 18 I HA -0.402 nan 4.170 nan 0.000 0.248 18 I C 1.128 177.245 176.117 -0.001 0.000 1.111 18 I CA 2.512 63.810 61.300 -0.003 0.000 1.382 18 I CB -0.707 37.282 38.000 -0.019 0.000 1.060 18 I HN -0.076 8.047 8.210 0.001 0.088 0.418 19 A N -0.189 122.622 122.820 -0.015 0.000 1.858 19 A HA -0.410 nan 4.320 nan 0.000 0.216 19 A C 1.715 179.310 177.584 0.018 0.000 1.190 19 A CA 3.530 55.569 52.037 0.003 0.000 0.617 19 A CB -1.118 17.867 19.000 -0.025 0.000 0.827 19 A HN 0.056 8.166 8.150 -0.038 0.018 0.443 20 D N -1.406 119.004 120.400 0.017 0.000 2.133 20 D HA -0.387 nan 4.640 nan 0.000 0.195 20 D C 2.293 178.614 176.300 0.034 0.000 0.997 20 D CA 3.780 57.800 54.000 0.034 0.000 0.840 20 D CB 0.051 40.879 40.800 0.046 0.000 0.947 20 D HN -0.396 7.979 8.370 0.008 0.000 0.452 21 Q N -1.070 118.743 119.800 0.021 0.000 1.975 21 Q HA -0.331 nan 4.340 nan 0.000 0.205 21 Q C 2.838 178.853 176.000 0.025 0.000 0.990 21 Q CA 3.225 59.035 55.803 0.012 0.000 0.845 21 Q CB -0.076 28.660 28.738 -0.002 0.000 0.913 21 Q HN -0.063 8.205 8.270 0.014 0.011 0.420 22 I N -0.098 120.492 120.570 0.033 0.000 2.181 22 I HA -0.589 nan 4.170 nan 0.000 0.247 22 I C 2.222 178.359 176.117 0.033 0.000 1.081 22 I CA 3.933 65.258 61.300 0.041 0.000 1.340 22 I CB -0.557 37.475 38.000 0.054 0.000 1.036 22 I HN -0.052 8.177 8.210 0.032 0.000 0.417 23 S N -0.457 115.260 115.700 0.028 0.000 2.387 23 S HA -0.284 nan 4.470 nan 0.000 0.226 23 S C 2.476 177.080 174.600 0.006 0.000 1.026 23 S CA 4.079 62.289 58.200 0.017 0.000 0.972 23 S CB -0.568 62.642 63.200 0.017 0.000 0.814 23 S HN -0.184 8.038 8.310 0.030 0.106 0.477 24 D N 2.011 122.422 120.400 0.017 0.000 2.144 24 D HA -0.208 nan 4.640 nan 0.000 0.200 24 D C 1.948 178.264 176.300 0.027 0.000 0.978 24 D CA 3.508 57.520 54.000 0.020 0.000 0.833 24 D CB -0.086 40.744 40.800 0.049 0.000 0.961 24 D HN -0.091 8.295 8.370 0.027 0.000 0.470 25 A N 0.289 123.127 122.820 0.030 0.000 1.902 25 A HA -0.205 nan 4.320 nan 0.000 0.217 25 A C 2.296 179.897 177.584 0.029 0.000 1.181 25 A CA 3.255 55.313 52.037 0.035 0.000 0.623 25 A CB -0.600 18.422 19.000 0.037 0.000 0.818 25 A HN 0.272 8.248 8.150 0.029 0.192 0.443 26 V N 0.364 120.290 119.914 0.020 0.000 2.453 26 V HA -0.263 nan 4.120 nan 0.000 0.247 26 V C 1.365 177.456 176.094 -0.004 0.000 1.048 26 V CA 3.539 65.847 62.300 0.013 0.000 1.049 26 V CB -0.492 31.338 31.823 0.012 0.000 0.672 26 V HN 0.118 8.321 8.190 0.021 0.000 0.457 27 L N 0.002 121.212 121.223 -0.022 0.000 2.012 27 L HA -0.454 nan 4.340 nan 0.000 0.210 27 L C 1.794 178.646 176.870 -0.031 0.000 1.073 27 L CA 3.722 58.527 54.840 -0.059 0.000 0.748 27 L CB -1.542 40.450 42.059 -0.113 0.000 0.891 27 L HN 0.107 8.248 8.230 -0.017 0.079 0.431 28 D N -0.700 119.709 120.400 0.015 0.000 2.078 28 D HA -0.306 nan 4.640 nan 0.000 0.193 28 D C 2.282 178.610 176.300 0.047 0.000 0.990 28 D CA 3.525 57.565 54.000 0.066 0.000 0.827 28 D CB -0.204 40.649 40.800 0.088 0.000 0.975 28 D HN 0.222 8.588 8.370 0.017 0.014 0.451 29 A N -1.750 121.092 122.820 0.036 0.000 2.067 29 A HA -0.132 nan 4.320 nan 0.000 0.219 29 A C 2.434 180.036 177.584 0.029 0.000 1.158 29 A CA 2.496 54.556 52.037 0.038 0.000 0.661 29 A CB -0.489 18.534 19.000 0.039 0.000 0.801 29 A HN -0.193 7.907 8.150 0.032 0.069 0.452 30 I N -0.923 119.653 120.570 0.011 0.000 2.286 30 I HA -0.431 nan 4.170 nan 0.000 0.245 30 I C 1.516 177.631 176.117 -0.004 0.000 1.104 30 I CA 3.784 65.080 61.300 -0.007 0.000 1.397 30 I CB 0.102 38.083 38.000 -0.032 0.000 1.072 30 I HN -0.132 7.964 8.210 0.005 0.118 0.417 31 L N -1.892 119.333 121.223 0.004 0.000 2.131 31 L HA -0.339 nan 4.340 nan 0.000 0.210 31 L C 1.580 178.473 176.870 0.038 0.000 1.092 31 L CA 1.926 56.775 54.840 0.016 0.000 0.759 31 L CB -1.659 40.421 42.059 0.035 0.000 0.903 31 L HN -0.105 8.041 8.230 0.004 0.087 0.435 32 E N -3.217 117.013 120.200 0.049 0.000 2.130 32 E HA -0.281 nan 4.350 nan 0.000 0.196 32 E C 1.877 178.507 176.600 0.050 0.000 0.998 32 E CA 2.065 58.498 56.400 0.056 0.000 0.806 32 E CB -0.112 29.620 29.700 0.053 0.000 0.738 32 E HN -0.622 7.744 8.360 0.046 0.022 0.459 33 Q N -2.837 116.987 119.800 0.041 0.000 2.269 33 Q HA -0.112 nan 4.340 nan 0.000 0.201 33 Q C -0.342 175.675 176.000 0.028 0.000 0.946 33 Q CA 1.119 56.946 55.803 0.040 0.000 0.877 33 Q CB 1.308 30.074 28.738 0.046 0.000 0.963 33 Q HN -0.410 7.865 8.270 0.034 0.016 0.472 34 D N -5.817 114.592 120.400 0.014 0.000 2.648 34 D HA 0.260 nan 4.640 nan 0.000 0.244 34 D C -1.838 174.460 176.300 -0.003 0.000 1.244 34 D CA -2.210 51.796 54.000 0.011 0.000 0.772 34 D CB 1.313 42.114 40.800 0.000 0.000 1.379 34 D HN -0.638 7.679 8.370 0.007 0.058 0.428 35 P HA -0.054 nan 4.420 nan 0.000 0.228 35 P C -0.206 177.067 177.300 -0.045 0.000 1.166 35 P CA 1.065 64.140 63.100 -0.041 0.000 0.812 35 P CB 0.743 32.393 31.700 -0.083 0.000 0.857 36 K N -2.006 118.380 120.400 -0.023 0.000 2.525 36 K HA -0.045 nan 4.320 nan 0.000 0.192 36 K C -0.651 175.939 176.600 -0.016 0.000 1.029 36 K CA -0.012 56.271 56.287 -0.007 0.000 1.029 36 K CB -0.157 32.357 32.500 0.024 0.000 0.814 36 K HN -0.382 7.948 8.250 -0.013 -0.088 0.503 37 A N -0.555 122.242 122.820 -0.039 0.000 2.488 37 A HA 0.003 nan 4.320 nan 0.000 0.249 37 A C -0.233 177.316 177.584 -0.058 0.000 1.083 37 A CA 0.194 52.199 52.037 -0.053 0.000 0.768 37 A CB 0.307 19.266 19.000 -0.068 0.000 1.017 37 A HN -0.690 7.400 8.150 -0.044 0.034 0.496 38 R N 3.122 123.590 120.500 -0.053 0.000 2.490 38 R HA 0.028 nan 4.340 nan 0.000 0.280 38 R C -1.314 174.942 176.300 -0.074 0.000 1.077 38 R CA -0.286 55.777 56.100 -0.062 0.000 1.065 38 R CB 1.044 31.314 30.300 -0.051 0.000 1.003 38 R HN -0.119 8.123 8.270 -0.047 0.000 0.470 39 V N 1.630 121.492 119.914 -0.086 0.000 2.697 39 V HA 0.461 nan 4.120 nan 0.000 0.296 39 V C -2.632 173.409 176.094 -0.089 0.000 1.140 39 V CA -0.831 61.418 62.300 -0.085 0.000 0.921 39 V CB 3.809 35.579 31.823 -0.088 0.000 1.036 39 V HN 0.291 8.423 8.190 -0.097 0.000 0.438 40 A N 7.986 130.763 122.820 -0.071 0.000 2.356 40 A HA 0.975 nan 4.320 nan 0.000 0.310 40 A C -2.725 174.831 177.584 -0.046 0.000 1.075 40 A CA -2.099 49.899 52.037 -0.065 0.000 0.746 40 A CB 3.043 22.008 19.000 -0.058 0.000 1.221 40 A HN 0.574 8.687 8.150 -0.062 0.000 0.443 41 C N 1.143 120.420 119.300 -0.037 0.000 2.822 41 C HA 0.934 nan 4.460 nan 0.000 0.341 41 C C -1.399 173.587 174.990 -0.005 0.000 1.301 41 C CA -2.893 56.114 59.018 -0.018 0.000 1.706 41 C CB 3.639 31.372 27.740 -0.012 0.000 2.178 41 C HN 0.272 8.475 8.230 -0.045 0.000 0.481 42 E N -1.572 118.635 120.200 0.012 0.000 2.287 42 E HA 0.379 nan 4.350 nan 0.000 0.274 42 E C -1.115 175.513 176.600 0.047 0.000 0.896 42 E CA -1.246 55.170 56.400 0.026 0.000 0.788 42 E CB 4.109 33.829 29.700 0.032 0.000 1.244 42 E HN 0.556 8.925 8.360 0.015 0.000 0.408 43 T N 0.128 114.715 114.554 0.056 0.000 2.927 43 T HA 0.821 nan 4.350 nan 0.000 0.281 43 T C -1.802 172.981 174.700 0.139 0.000 0.998 43 T CA -2.457 59.696 62.100 0.087 0.000 1.019 43 T CB 2.006 70.919 68.868 0.074 0.000 1.061 43 T HN 0.766 9.031 8.240 0.043 0.000 0.518 44 Y N 1.285 121.592 120.300 0.011 0.000 2.442 44 Y HA 0.617 nan 4.550 nan 0.000 0.344 44 Y C -2.876 173.038 175.900 0.023 0.000 0.976 44 Y CA -1.340 56.766 58.100 0.011 0.000 1.040 44 Y CB 3.504 41.967 38.460 0.004 0.000 1.228 44 Y HN 0.162 8.572 8.280 0.218 0.000 0.451 45 V N -0.085 119.871 119.914 0.070 0.000 2.925 45 V HA 0.911 nan 4.120 nan 0.000 0.311 45 V C -2.890 173.225 176.094 0.036 0.000 1.104 45 V CA -2.830 59.550 62.300 0.134 0.000 0.954 45 V CB 3.320 35.217 31.823 0.122 0.000 1.022 45 V HN 0.439 8.455 8.190 -0.290 0.000 0.427 46 K N 1.158 121.660 120.400 0.170 0.000 2.675 46 K HA 0.497 nan 4.320 nan 0.000 0.280 46 K C 0.026 176.723 176.600 0.162 0.000 0.993 46 K CA -0.178 56.191 56.287 0.138 0.000 0.863 46 K CB 2.341 34.889 32.500 0.081 0.000 1.438 46 K HN 0.689 9.063 8.250 0.208 0.000 0.389 47 T N -2.466 112.196 114.554 0.179 0.000 13.179 47 T HA -0.462 nan 4.350 nan 0.000 0.419 47 T C 0.130 174.816 174.700 -0.024 0.000 1.441 47 T CA 2.672 64.834 62.100 0.103 0.000 2.363 47 T CB -1.628 67.278 68.868 0.064 0.000 2.812 47 T HN 0.959 9.325 8.240 0.211 0.000 0.639 48 G N 0.392 109.134 108.800 -0.096 0.000 3.528 48 G HA2 0.412 nan 3.960 nan 0.000 0.266 48 G HA3 0.412 nan 3.960 nan 0.000 0.266 48 G C -2.392 172.357 174.900 -0.252 0.000 1.004 48 G CA -0.392 44.580 45.100 -0.214 0.000 0.853 48 G HN 0.039 8.309 8.290 -0.034 0.000 0.501 49 M N -1.902 117.595 119.600 -0.172 0.000 2.446 49 M HA 0.869 nan 4.480 nan 0.000 0.294 49 M C -2.398 173.898 176.300 -0.006 0.000 1.158 49 M CA -0.845 54.401 55.300 -0.090 0.000 0.899 49 M CB 3.741 36.331 32.600 -0.017 0.000 1.687 49 M HN -0.064 8.032 8.290 -0.129 0.116 0.455 50 V N 1.558 121.473 119.914 0.003 0.000 2.531 50 V HA 0.850 nan 4.120 nan 0.000 0.301 50 V C -1.269 174.860 176.094 0.058 0.000 1.034 50 V CA -1.219 61.130 62.300 0.081 0.000 0.865 50 V CB 1.216 33.092 31.823 0.088 0.000 0.995 50 V HN 0.888 8.943 8.190 -0.043 0.109 0.424 51 L N 2.944 124.217 121.223 0.084 0.000 2.325 51 L HA 0.881 nan 4.340 nan 0.000 0.281 51 L C -1.404 175.503 176.870 0.061 0.000 1.004 51 L CA -1.509 53.358 54.840 0.046 0.000 0.823 51 L CB 1.691 43.754 42.059 0.007 0.000 1.236 51 L HN 0.754 9.068 8.230 0.140 0.000 0.415 52 V N 3.991 123.930 119.914 0.041 0.000 2.288 52 V HA 0.441 nan 4.120 nan 0.000 0.266 52 V C -0.316 175.792 176.094 0.023 0.000 1.048 52 V CA -1.110 61.213 62.300 0.038 0.000 0.842 52 V CB -0.907 30.937 31.823 0.035 0.000 1.064 52 V HN 0.756 8.965 8.190 0.031 0.000 0.472 53 G N 6.803 115.616 108.800 0.023 0.000 2.400 53 G HA2 0.770 nan 3.960 nan 0.000 0.333 53 G HA3 0.770 nan 3.960 nan 0.000 0.333 53 G C -2.416 172.486 174.900 0.004 0.000 1.143 53 G CA -1.524 43.581 45.100 0.008 0.000 0.914 53 G HN -0.028 8.283 8.290 0.035 0.000 0.480 54 G N 0.718 109.514 108.800 -0.006 0.000 2.340 54 G HA2 0.374 nan 3.960 nan 0.000 0.299 54 G HA3 0.374 nan 3.960 nan 0.000 0.299 54 G C -3.168 171.718 174.900 -0.023 0.000 1.291 54 G CA 0.774 45.865 45.100 -0.014 0.000 0.841 54 G HN 0.455 8.632 8.290 -0.008 0.108 0.500 55 E N -0.724 119.457 120.200 -0.032 0.000 2.224 55 E HA 0.908 nan 4.350 nan 0.000 0.265 55 E C -1.501 175.069 176.600 -0.050 0.000 0.878 55 E CA -1.990 54.387 56.400 -0.038 0.000 0.759 55 E CB 3.117 32.796 29.700 -0.036 0.000 1.164 55 E HN 0.020 8.360 8.360 -0.034 0.000 0.414 56 I N 3.850 124.385 120.570 -0.060 0.000 2.509 56 I HA 0.729 nan 4.170 nan 0.000 0.293 56 I C -1.051 175.013 176.117 -0.087 0.000 1.020 56 I CA -2.373 58.882 61.300 -0.075 0.000 1.088 56 I CB 2.593 40.542 38.000 -0.085 0.000 1.267 56 I HN 0.571 8.745 8.210 -0.059 0.000 0.430 57 T N 4.389 118.891 114.554 -0.088 0.000 2.771 57 T HA 0.576 nan 4.350 nan 0.000 0.281 57 T C -1.002 173.626 174.700 -0.119 0.000 0.982 57 T CA -2.126 59.916 62.100 -0.097 0.000 0.978 57 T CB 1.044 69.868 68.868 -0.073 0.000 0.930 57 T HN 0.605 8.797 8.240 -0.080 0.000 0.447 58 T N 3.778 118.232 114.554 -0.167 0.000 2.770 58 T HA 0.131 nan 4.350 nan 0.000 0.323 58 T C -1.792 172.755 174.700 -0.254 0.000 1.683 58 T CA -0.374 61.624 62.100 -0.170 0.000 1.024 58 T CB 2.588 71.369 68.868 -0.144 0.000 1.557 58 T HN -0.069 8.047 8.240 -0.206 0.000 0.494 59 S N 2.571 118.155 115.700 -0.194 0.000 2.528 59 S HA 0.049 nan 4.470 nan 0.000 0.219 59 S C -0.198 174.231 174.600 -0.285 0.000 0.985 59 S CA 0.866 58.939 58.200 -0.211 0.000 0.914 59 S CB 0.653 63.813 63.200 -0.066 0.000 0.776 59 S HN 0.368 8.748 8.310 -0.131 -0.148 0.526 60 A N 0.655 123.348 122.820 -0.212 0.000 2.483 60 A HA -0.121 nan 4.320 nan 0.000 0.238 60 A C -1.260 176.160 177.584 -0.274 0.000 1.070 60 A CA 0.642 52.601 52.037 -0.130 0.000 0.770 60 A CB 0.689 19.652 19.000 -0.062 0.000 1.008 60 A HN -0.576 7.426 8.150 -0.175 0.043 0.497 61 W N 1.554 122.858 121.300 0.006 0.000 2.471 61 W HA 0.099 nan 4.660 nan 0.000 0.318 61 W C -1.616 174.907 176.519 0.007 0.000 1.034 61 W CA -1.488 55.860 57.345 0.005 0.000 1.224 61 W CB 2.122 31.585 29.460 0.005 0.000 1.335 61 W HN -0.373 8.299 8.180 0.262 -0.335 0.452 62 V N 5.184 125.217 119.914 0.199 0.000 2.588 62 V HA 0.111 nan 4.120 nan 0.000 0.304 62 V C -1.443 174.723 176.094 0.121 0.000 1.042 62 V CA -1.413 60.964 62.300 0.129 0.000 0.877 62 V CB 2.506 34.373 31.823 0.074 0.000 0.996 62 V HN -0.115 8.178 8.190 0.171 0.000 0.425 63 D N 5.449 125.908 120.400 0.099 0.000 2.422 63 D HA 0.104 nan 4.640 nan 0.000 0.227 63 D C 1.294 177.630 176.300 0.060 0.000 1.190 63 D CA -0.652 53.396 54.000 0.080 0.000 0.905 63 D CB -0.109 40.730 40.800 0.065 0.000 1.034 63 D HN -0.053 8.371 8.370 0.090 0.000 0.507 64 I N 1.730 122.335 120.570 0.058 0.000 2.300 64 I HA -0.492 nan 4.170 nan 0.000 0.252 64 I C 0.818 176.960 176.117 0.042 0.000 1.119 64 I CA 2.655 63.983 61.300 0.046 0.000 1.384 64 I CB -1.253 36.771 38.000 0.040 0.000 1.062 64 I HN -0.149 8.101 8.210 0.067 0.000 0.426 65 E N 0.853 121.077 120.200 0.040 0.000 2.110 65 E HA -0.411 nan 4.350 nan 0.000 0.193 65 E C 2.297 178.919 176.600 0.036 0.000 0.988 65 E CA 3.355 59.774 56.400 0.033 0.000 0.804 65 E CB -0.598 29.117 29.700 0.026 0.000 0.745 65 E HN 0.157 8.510 8.360 0.042 0.032 0.458 66 E N -0.697 119.526 120.200 0.039 0.000 2.047 66 E HA -0.248 nan 4.350 nan 0.000 0.191 66 E C 2.507 179.134 176.600 0.046 0.000 0.987 66 E CA 3.085 59.510 56.400 0.040 0.000 0.799 66 E CB -0.071 29.652 29.700 0.039 0.000 0.752 66 E HN -0.275 8.302 8.360 0.040 -0.192 0.449 67 I N -1.575 119.023 120.570 0.047 0.000 2.252 67 I HA -0.396 nan 4.170 nan 0.000 0.245 67 I C 2.289 178.439 176.117 0.054 0.000 1.102 67 I CA 2.239 63.568 61.300 0.048 0.000 1.385 67 I CB -1.759 36.268 38.000 0.045 0.000 1.064 67 I HN -0.453 7.683 8.210 0.046 0.101 0.414 68 T N 2.178 116.765 114.554 0.055 0.000 2.699 68 T HA -0.395 nan 4.350 nan 0.000 0.268 68 T C 2.011 176.761 174.700 0.083 0.000 1.036 68 T CA 4.406 66.547 62.100 0.068 0.000 1.147 68 T CB -0.796 68.109 68.868 0.062 0.000 0.862 68 T HN 0.482 8.752 8.240 0.050 0.000 0.446 69 R N 1.581 122.123 120.500 0.070 0.000 2.056 69 R HA -0.177 nan 4.340 nan 0.000 0.227 69 R C 1.694 178.045 176.300 0.085 0.000 1.149 69 R CA 2.387 58.533 56.100 0.076 0.000 0.937 69 R CB -0.392 29.942 30.300 0.055 0.000 0.835 69 R HN 0.075 8.249 8.270 0.058 0.132 0.430 70 N N -2.691 116.051 118.700 0.070 0.000 2.550 70 N HA -0.104 nan 4.740 nan 0.000 0.186 70 N C 1.987 177.541 175.510 0.073 0.000 1.110 70 N CA 2.720 55.812 53.050 0.069 0.000 0.912 70 N CB -0.051 38.469 38.487 0.055 0.000 0.968 70 N HN -0.229 8.187 8.380 0.060 0.000 0.448 71 T N 3.907 118.507 114.554 0.076 0.000 2.770 71 T HA -0.201 nan 4.350 nan 0.000 0.263 71 T C 1.823 176.583 174.700 0.099 0.000 1.039 71 T CA 4.524 66.668 62.100 0.074 0.000 1.142 71 T CB -0.152 68.754 68.868 0.064 0.000 0.868 71 T HN -0.494 7.757 8.240 0.075 0.033 0.435 72 V N 1.954 121.948 119.914 0.135 0.000 2.759 72 V HA -0.374 nan 4.120 nan 0.000 0.256 72 V C 1.420 177.632 176.094 0.197 0.000 1.080 72 V CA 3.297 65.710 62.300 0.187 0.000 1.101 72 V CB -1.409 30.581 31.823 0.279 0.000 0.698 72 V HN -0.135 8.134 8.190 0.133 0.000 0.477 73 R N -0.845 119.744 120.500 0.148 0.000 2.083 73 R HA -0.364 nan 4.340 nan 0.000 0.237 73 R C 1.815 178.167 176.300 0.087 0.000 1.137 73 R CA 3.204 59.375 56.100 0.118 0.000 0.951 73 R CB -0.273 30.081 30.300 0.090 0.000 0.851 73 R HN -0.011 8.261 8.270 0.135 0.080 0.434 74 E N -1.844 118.399 120.200 0.072 0.000 2.516 74 E HA -0.119 nan 4.350 nan 0.000 0.199 74 E C 0.557 177.176 176.600 0.031 0.000 1.069 74 E CA 1.616 58.043 56.400 0.045 0.000 0.876 74 E CB -0.200 29.524 29.700 0.040 0.000 0.843 74 E HN -0.243 8.048 8.360 0.079 0.116 0.530 75 I N -4.020 116.580 120.570 0.050 0.000 3.875 75 I HA 0.058 nan 4.170 nan 0.000 0.329 75 I C 0.499 176.526 176.117 -0.150 0.000 1.295 75 I CA -1.539 59.759 61.300 -0.002 0.000 1.129 75 I CB -1.327 36.734 38.000 0.102 0.000 1.008 75 I HN -0.591 7.482 8.210 0.096 0.194 0.413 76 G N -0.306 108.448 108.800 -0.077 0.000 2.199 76 G HA2 -0.427 nan 3.960 nan 0.000 0.254 76 G HA3 -0.427 nan 3.960 nan 0.000 0.254 76 G C -0.558 174.272 174.900 -0.116 0.000 0.982 76 G CA 0.627 45.649 45.100 -0.130 0.000 0.632 76 G HN 0.239 8.360 8.290 0.009 0.174 0.529 77 Y N 1.672 121.971 120.300 -0.001 0.000 2.674 77 Y HA -0.183 nan 4.550 nan 0.000 0.354 77 Y C -0.712 175.227 175.900 0.065 0.000 1.089 77 Y CA 1.244 59.350 58.100 0.010 0.000 1.444 77 Y CB -1.513 36.934 38.460 -0.022 0.000 1.187 77 Y HN -0.841 7.459 8.280 0.131 0.058 0.523 78 V N 4.368 124.381 119.914 0.166 0.000 3.444 78 V HA 0.183 nan 4.120 nan 0.000 0.210 78 V C -1.211 174.991 176.094 0.180 0.000 1.217 78 V CA 1.105 63.505 62.300 0.168 0.000 1.302 78 V CB 1.481 33.391 31.823 0.145 0.000 1.341 78 V HN -0.092 8.143 8.190 0.075 0.000 0.522 79 H N -1.481 117.658 119.070 0.116 0.000 2.878 79 H HA 0.212 nan 4.556 nan 0.000 0.290 79 H C 0.952 176.345 175.328 0.110 0.000 1.065 79 H CA -1.130 54.975 56.048 0.096 0.000 1.477 79 H CB 0.545 30.348 29.762 0.069 0.000 1.484 79 H HN -0.376 7.868 8.280 -0.060 0.000 0.504 80 S N 5.180 121.003 115.700 0.204 0.000 2.462 80 S HA -0.402 nan 4.470 nan 0.000 0.243 80 S C 1.407 176.091 174.600 0.140 0.000 1.003 80 S CA 3.426 61.722 58.200 0.159 0.000 0.970 80 S CB -0.477 62.799 63.200 0.127 0.000 0.762 80 S HN 0.655 9.083 8.310 0.196 0.000 0.510 81 D N 1.236 121.721 120.400 0.143 0.000 2.378 81 D HA -0.102 nan 4.640 nan 0.000 0.227 81 D C -0.210 176.150 176.300 0.100 0.000 1.012 81 D CA 1.892 55.963 54.000 0.117 0.000 0.905 81 D CB -0.932 39.941 40.800 0.122 0.000 0.895 81 D HN -0.587 7.838 8.370 0.183 0.055 0.532 82 M N -1.976 117.677 119.600 0.089 0.000 2.568 82 M HA -0.144 nan 4.480 nan 0.000 0.226 82 M C 0.312 176.730 176.300 0.197 0.000 1.148 82 M CA 0.408 55.770 55.300 0.102 0.000 1.007 82 M CB -0.088 32.525 32.600 0.021 0.000 1.651 82 M HN -0.505 7.763 8.290 0.086 0.074 0.488 83 G N 0.413 109.307 108.800 0.156 0.000 3.349 83 G HA2 -0.316 nan 3.960 nan 0.000 0.202 83 G HA3 -0.316 nan 3.960 nan 0.000 0.202 83 G C -1.652 173.342 174.900 0.157 0.000 1.588 83 G CA 0.035 45.210 45.100 0.126 0.000 1.198 83 G HN 0.282 8.482 8.290 0.139 0.172 0.588 84 F N -0.383 119.524 119.950 -0.071 0.000 2.596 84 F HA 0.373 nan 4.527 nan 0.000 0.311 84 F C -2.610 173.168 175.800 -0.036 0.000 1.116 84 F CA -2.567 55.384 58.000 -0.082 0.000 0.957 84 F CB 2.458 41.370 39.000 -0.146 0.000 1.250 84 F HN -0.803 7.525 8.300 0.046 0.000 0.444 85 D N 1.666 122.270 120.400 0.341 0.000 2.255 85 D HA 0.007 nan 4.640 nan 0.000 0.249 85 D C -0.546 175.939 176.300 0.309 0.000 1.078 85 D CA -0.974 53.198 54.000 0.288 0.000 0.896 85 D CB 2.192 43.088 40.800 0.161 0.000 1.194 85 D HN -0.112 8.380 8.370 0.204 0.000 0.429 86 A N 3.200 126.209 122.820 0.315 0.000 2.929 86 A HA 0.216 nan 4.320 nan 0.000 0.279 86 A C -1.318 176.340 177.584 0.123 0.000 1.418 86 A CA -0.093 52.093 52.037 0.250 0.000 1.035 86 A CB -0.601 18.576 19.000 0.295 0.000 1.047 86 A HN 0.175 8.512 8.150 0.311 0.000 0.609 87 N N -1.837 116.911 118.700 0.079 0.000 2.612 87 N HA 0.074 nan 4.740 nan 0.000 0.224 87 N C 1.335 176.846 175.510 0.002 0.000 1.051 87 N CA 1.406 54.482 53.050 0.044 0.000 0.889 87 N CB 1.173 39.690 38.487 0.051 0.000 1.449 87 N HN -0.115 8.488 8.380 0.090 -0.169 0.442 88 S N 0.412 116.104 115.700 -0.015 0.000 2.515 88 S HA -0.101 nan 4.470 nan 0.000 0.231 88 S C 0.100 174.626 174.600 -0.123 0.000 0.987 88 S CA 1.531 59.700 58.200 -0.052 0.000 0.936 88 S CB 0.228 63.405 63.200 -0.039 0.000 0.766 88 S HN -0.372 8.228 8.310 0.009 -0.284 0.528 89 C N 3.677 122.858 119.300 -0.197 0.000 2.616 89 C HA -0.100 nan 4.460 nan 0.000 0.402 89 C C -0.146 174.715 174.990 -0.215 0.000 1.436 89 C CA -1.330 57.463 59.018 -0.374 0.000 1.521 89 C CB -0.679 26.799 27.740 -0.437 0.000 2.413 89 C HN -0.413 7.665 8.230 -0.136 0.071 0.617 90 A N 8.461 131.171 122.820 -0.184 0.000 2.466 90 A HA -0.021 nan 4.320 nan 0.000 0.238 90 A C -2.123 175.416 177.584 -0.075 0.000 1.074 90 A CA 0.709 52.685 52.037 -0.102 0.000 0.774 90 A CB 0.808 19.757 19.000 -0.085 0.000 1.015 90 A HN 0.721 8.739 8.150 -0.220 0.000 0.498 91 V N 2.882 122.773 119.914 -0.038 0.000 2.524 91 V HA 0.628 nan 4.120 nan 0.000 0.297 91 V C -1.803 174.288 176.094 -0.005 0.000 1.035 91 V CA -0.723 61.569 62.300 -0.013 0.000 0.867 91 V CB 1.843 33.665 31.823 -0.002 0.000 1.004 91 V HN -0.012 8.158 8.190 -0.034 0.000 0.426 92 L N 9.041 130.265 121.223 0.000 0.000 2.325 92 L HA 0.509 nan 4.340 nan 0.000 0.281 92 L C -0.869 176.005 176.870 0.006 0.000 1.004 92 L CA -1.377 53.461 54.840 -0.003 0.000 0.823 92 L CB 2.435 44.484 42.059 -0.016 0.000 1.236 92 L HN 0.905 9.033 8.230 0.008 0.108 0.415 93 S N 5.162 120.867 115.700 0.009 0.000 2.474 93 S HA 0.159 nan 4.470 nan 0.000 0.276 93 S C -0.940 173.663 174.600 0.006 0.000 1.227 93 S CA 0.514 58.722 58.200 0.013 0.000 1.050 93 S CB 0.071 63.284 63.200 0.022 0.000 0.939 93 S HN 0.629 8.943 8.310 0.008 0.000 0.490 94 A N 5.736 128.558 122.820 0.003 0.000 3.308 94 A HA 0.330 nan 4.320 nan 0.000 0.275 94 A C -1.957 175.624 177.584 -0.004 0.000 0.950 94 A CA -0.491 51.544 52.037 -0.004 0.000 0.987 94 A CB 0.388 19.381 19.000 -0.012 0.000 1.146 94 A HN 0.474 8.627 8.150 0.005 0.000 0.488 95 I N -2.767 117.802 120.570 -0.002 0.000 2.339 95 I HA 0.713 nan 4.170 nan 0.000 0.290 95 I C -0.793 175.314 176.117 -0.015 0.000 0.994 95 I CA -1.961 59.333 61.300 -0.010 0.000 1.191 95 I CB 1.020 39.014 38.000 -0.010 0.000 1.343 95 I HN -0.313 7.900 8.210 0.004 0.000 0.458 96 G N 5.516 114.301 108.800 -0.024 0.000 2.350 96 G HA2 0.176 nan 3.960 nan 0.000 0.306 96 G HA3 0.176 nan 3.960 nan 0.000 0.306 96 G C -1.989 172.884 174.900 -0.044 0.000 1.094 96 G CA -0.955 44.129 45.100 -0.026 0.000 0.953 96 G HN 0.521 8.795 8.290 -0.025 0.000 0.420 97 K N 4.578 124.946 120.400 -0.053 0.000 2.248 97 K HA 0.233 nan 4.320 nan 0.000 0.281 97 K C -0.737 175.813 176.600 -0.083 0.000 1.054 97 K CA -0.329 55.900 56.287 -0.096 0.000 0.903 97 K CB 0.864 33.273 32.500 -0.152 0.000 1.077 97 K HN 0.310 8.539 8.250 -0.036 0.000 0.474 98 Q N 7.134 126.882 119.800 -0.086 0.000 2.282 98 Q HA 0.256 nan 4.340 nan 0.000 0.260 98 Q C -1.890 174.058 176.000 -0.086 0.000 0.964 98 Q CA -0.712 55.050 55.803 -0.069 0.000 0.880 98 Q CB 3.188 31.892 28.738 -0.056 0.000 1.286 98 Q HN -0.119 8.094 8.270 -0.095 0.000 0.445 99 S N 5.309 120.967 115.700 -0.070 0.000 2.681 99 S HA 0.209 nan 4.470 nan 0.000 0.270 99 S C -0.607 173.961 174.600 -0.053 0.000 1.209 99 S CA -1.705 56.451 58.200 -0.073 0.000 0.988 99 S CB 0.317 63.486 63.200 -0.052 0.000 1.006 99 S HN 0.252 8.530 8.310 -0.052 0.000 0.558 100 P HA -0.125 nan 4.420 nan 0.000 0.238 100 P C -0.882 176.402 177.300 -0.026 0.000 1.175 100 P CA 1.356 64.434 63.100 -0.036 0.000 0.757 100 P CB -0.088 31.593 31.700 -0.032 0.000 0.839 101 D N -3.651 116.735 120.400 -0.024 0.000 2.272 101 D HA 0.063 nan 4.640 nan 0.000 0.308 101 D C -0.488 175.801 176.300 -0.019 0.000 1.104 101 D CA 0.451 54.438 54.000 -0.020 0.000 0.939 101 D CB 1.453 42.243 40.800 -0.016 0.000 1.733 101 D HN -0.319 7.971 8.370 -0.025 0.065 0.517 102 I N 2.328 122.887 120.570 -0.018 0.000 2.276 102 I HA 0.038 nan 4.170 nan 0.000 0.290 102 I C -1.556 174.550 176.117 -0.019 0.000 1.109 102 I CA -0.235 61.055 61.300 -0.017 0.000 1.229 102 I CB -0.237 37.755 38.000 -0.012 0.000 1.452 102 I HN -0.155 8.044 8.210 -0.018 0.000 0.497 103 N N 6.106 124.793 118.700 -0.021 0.000 2.432 103 N HA 0.244 nan 4.740 nan 0.000 0.292 103 N C -1.080 174.418 175.510 -0.019 0.000 1.193 103 N CA -1.124 51.913 53.050 -0.022 0.000 0.878 103 N CB 2.514 40.985 38.487 -0.026 0.000 1.252 103 N HN -0.099 8.269 8.380 -0.020 0.000 0.520 104 Q N 0.597 120.386 119.800 -0.019 0.000 2.349 104 Q HA 0.106 nan 4.340 nan 0.000 0.254 104 Q C 0.230 176.219 176.000 -0.018 0.000 0.980 104 Q CA -0.062 55.731 55.803 -0.016 0.000 0.924 104 Q CB -0.078 28.651 28.738 -0.015 0.000 1.209 104 Q HN 0.372 8.630 8.270 -0.020 0.000 0.445 105 G N 4.250 113.040 108.800 -0.017 0.000 3.035 105 G HA2 -0.217 nan 3.960 nan 0.000 0.674 105 G HA3 -0.217 nan 3.960 nan 0.000 0.674 105 G C -1.613 173.275 174.900 -0.020 0.000 1.159 105 G CA -0.124 44.965 45.100 -0.018 0.000 1.098 105 G HN 0.216 8.496 8.290 -0.016 0.000 0.473 106 V N -2.417 117.486 119.914 -0.019 0.000 3.570 106 V HA 0.144 nan 4.120 nan 0.000 0.193 106 V C -0.575 175.507 176.094 -0.020 0.000 1.386 106 V CA -0.518 61.770 62.300 -0.020 0.000 1.285 106 V CB 0.257 32.067 31.823 -0.021 0.000 1.237 106 V HN -0.283 7.897 8.190 -0.017 0.000 0.553 107 D N 3.479 123.868 120.400 -0.018 0.000 2.515 107 D HA 0.009 nan 4.640 nan 0.000 0.232 107 D C -0.012 176.276 176.300 -0.020 0.000 1.157 107 D CA 1.187 55.176 54.000 -0.018 0.000 0.871 107 D CB 0.431 41.223 40.800 -0.014 0.000 1.200 107 D HN 0.074 8.434 8.370 -0.016 0.000 0.466 108 R N -0.902 119.583 120.500 -0.025 0.000 3.404 108 R HA 0.348 nan 4.340 nan 0.000 0.243 108 R C -1.498 174.779 176.300 -0.037 0.000 1.474 108 R CA -1.017 55.062 56.100 -0.036 0.000 1.018 108 R CB 0.935 31.205 30.300 -0.051 0.000 1.568 108 R HN -0.061 8.195 8.270 -0.023 0.000 0.498 109 A N -0.827 121.960 122.820 -0.055 0.000 3.158 109 A HA 0.251 nan 4.320 nan 0.000 0.217 109 A C -1.067 176.489 177.584 -0.047 0.000 1.469 109 A CA 0.768 52.777 52.037 -0.048 0.000 0.885 109 A CB 1.276 20.236 19.000 -0.066 0.000 1.662 109 A HN 0.456 8.559 8.150 -0.077 0.000 0.512 110 D N -1.821 118.554 120.400 -0.042 0.000 3.161 110 D HA 0.087 nan 4.640 nan 0.000 0.287 110 D C -0.714 175.556 176.300 -0.050 0.000 1.343 110 D CA 0.024 54.000 54.000 -0.040 0.000 1.070 110 D CB -1.151 39.635 40.800 -0.024 0.000 1.188 110 D HN 0.204 8.553 8.370 -0.035 0.000 0.409 111 P HA 0.145 nan 4.420 nan 0.000 0.275 111 P C 1.176 178.421 177.300 -0.092 0.000 1.266 111 P CA -0.863 62.209 63.100 -0.047 0.000 0.793 111 P CB 0.865 32.552 31.700 -0.021 0.000 1.074 112 L N -0.066 121.091 121.223 -0.109 0.000 2.056 112 L HA -0.270 nan 4.340 nan 0.000 0.207 112 L C 1.621 178.370 176.870 -0.202 0.000 1.078 112 L CA 2.419 57.111 54.840 -0.246 0.000 0.749 112 L CB 0.081 41.995 42.059 -0.242 0.000 0.901 112 L HN 0.101 8.290 8.230 -0.069 0.000 0.433 113 E N -2.798 117.380 120.200 -0.037 0.000 2.472 113 E HA -0.257 nan 4.350 nan 0.000 0.200 113 E C 0.774 177.399 176.600 0.041 0.000 1.046 113 E CA 1.675 58.106 56.400 0.052 0.000 0.871 113 E CB -0.821 28.921 29.700 0.071 0.000 0.806 113 E HN 0.190 8.518 8.360 -0.023 0.019 0.533 114 Q N -2.467 117.332 119.800 -0.001 0.000 2.201 114 Q HA 0.125 nan 4.340 nan 0.000 0.217 114 Q C 0.671 176.674 176.000 0.005 0.000 0.860 114 Q CA -0.760 55.052 55.803 0.014 0.000 0.984 114 Q CB 0.148 28.891 28.738 0.009 0.000 1.095 114 Q HN -0.787 7.408 8.270 -0.037 0.053 0.477 115 G N -0.076 108.716 108.800 -0.013 0.000 2.653 115 G HA2 -0.022 nan 3.960 nan 0.000 0.265 115 G HA3 -0.022 nan 3.960 nan 0.000 0.265 115 G C -2.104 172.811 174.900 0.025 0.000 1.237 115 G CA -0.651 44.435 45.100 -0.022 0.000 0.946 115 G HN -0.722 7.494 8.290 -0.020 0.062 0.522 116 A N -1.706 121.124 122.820 0.017 0.000 2.556 116 A HA 0.492 nan 4.320 nan 0.000 0.294 116 A C -1.489 176.095 177.584 0.001 0.000 1.091 116 A CA -0.565 51.488 52.037 0.027 0.000 0.704 116 A CB 2.644 21.661 19.000 0.029 0.000 1.300 116 A HN -0.157 7.993 8.150 0.000 0.000 0.406 117 G N -0.841 107.947 108.800 -0.021 0.000 3.008 117 G HA2 0.268 nan 3.960 nan 0.000 0.181 117 G HA3 0.268 nan 3.960 nan 0.000 0.181 117 G C -2.152 172.730 174.900 -0.030 0.000 1.309 117 G CA -1.463 43.606 45.100 -0.051 0.000 1.009 117 G HN 0.511 8.798 8.290 -0.004 0.000 0.584 118 D N -3.800 116.576 120.400 -0.041 0.000 2.466 118 D HA 0.142 nan 4.640 nan 0.000 0.262 118 D C -0.937 175.360 176.300 -0.005 0.000 1.177 118 D CA -0.845 53.143 54.000 -0.020 0.000 1.035 118 D CB 1.691 42.476 40.800 -0.025 0.000 1.105 118 D HN -0.086 8.247 8.370 -0.061 0.000 0.551 119 Q N 0.225 120.033 119.800 0.013 0.000 2.240 119 Q HA 0.221 nan 4.340 nan 0.000 0.260 119 Q C -0.799 175.223 176.000 0.036 0.000 1.018 119 Q CA -1.103 54.724 55.803 0.040 0.000 0.898 119 Q CB 2.551 31.308 28.738 0.032 0.000 1.301 119 Q HN 0.222 8.495 8.270 0.004 0.000 0.469 120 G N -0.175 108.655 108.800 0.050 0.000 2.339 120 G HA2 -0.012 nan 3.960 nan 0.000 0.275 120 G HA3 -0.012 nan 3.960 nan 0.000 0.275 120 G C -3.132 171.786 174.900 0.030 0.000 1.323 120 G CA 0.400 45.518 45.100 0.029 0.000 0.927 120 G HN -0.127 8.204 8.290 0.069 0.000 0.486 121 L N -4.836 116.385 121.223 -0.005 0.000 2.434 121 L HA 1.075 nan 4.340 nan 0.000 0.260 121 L C -2.141 174.669 176.870 -0.099 0.000 0.983 121 L CA -1.503 53.279 54.840 -0.096 0.000 0.820 121 L CB 3.618 45.577 42.059 -0.167 0.000 1.361 121 L HN 0.128 8.360 8.230 0.003 0.000 0.410 122 M N -1.125 118.361 119.600 -0.191 0.000 2.470 122 M HA 0.401 nan 4.480 nan 0.000 0.285 122 M C -1.910 174.320 176.300 -0.118 0.000 1.213 122 M CA -0.422 54.875 55.300 -0.005 0.000 0.901 122 M CB 4.419 37.108 32.600 0.149 0.000 1.718 122 M HN 0.837 8.841 8.290 -0.323 0.093 0.469 123 F N -0.164 119.912 119.950 0.209 0.000 2.629 123 F HA 0.955 nan 4.527 nan 0.000 0.316 123 F C -0.115 175.828 175.800 0.238 0.000 1.081 123 F CA -1.570 56.537 58.000 0.178 0.000 0.954 123 F CB 4.361 43.457 39.000 0.160 0.000 1.337 123 F HN 0.454 9.098 8.300 0.575 0.000 0.474 124 G N -1.227 107.808 108.800 0.390 0.000 2.706 124 G HA2 0.338 nan 3.960 nan 0.000 0.297 124 G HA3 0.338 nan 3.960 nan 0.000 0.297 124 G C -3.578 171.357 174.900 0.058 0.000 1.403 124 G CA -0.338 44.931 45.100 0.282 0.000 0.954 124 G HN 0.474 8.977 8.290 0.354 0.000 0.500 125 Y N 2.663 122.652 120.300 -0.518 0.000 2.386 125 Y HA 0.577 nan 4.550 nan 0.000 0.334 125 Y C -3.002 172.633 175.900 -0.441 0.000 1.002 125 Y CA -1.587 56.179 58.100 -0.556 0.000 1.068 125 Y CB 3.116 41.093 38.460 -0.805 0.000 1.203 125 Y HN -0.157 7.847 8.280 -0.460 0.000 0.443 126 A N 7.146 129.546 122.820 -0.701 0.000 2.344 126 A HA 0.869 nan 4.320 nan 0.000 0.307 126 A C -1.889 175.221 177.584 -0.790 0.000 1.151 126 A CA -1.820 49.892 52.037 -0.541 0.000 0.842 126 A CB 3.443 22.282 19.000 -0.267 0.000 1.350 126 A HN -0.174 7.559 8.150 -0.695 0.000 0.459 127 T N -4.284 110.018 114.554 -0.420 0.000 3.709 127 T HA 0.220 nan 4.350 nan 0.000 0.378 127 T C -0.577 174.054 174.700 -0.115 0.000 1.352 127 T CA -0.614 61.304 62.100 -0.304 0.000 1.144 127 T CB 1.196 69.890 68.868 -0.291 0.000 1.289 127 T HN 0.004 7.968 8.240 -0.257 0.121 0.476 128 N N 4.141 122.806 118.700 -0.059 0.000 3.050 128 N HA -0.052 nan 4.740 nan 0.000 0.289 128 N C -0.896 174.632 175.510 0.030 0.000 1.209 128 N CA 0.027 53.074 53.050 -0.004 0.000 1.154 128 N CB -0.759 37.732 38.487 0.006 0.000 1.444 128 N HN 0.221 8.706 8.380 -0.068 -0.146 0.529 129 E N 3.536 123.762 120.200 0.043 0.000 2.075 129 E HA -0.003 nan 4.350 nan 0.000 0.190 129 E C 0.206 176.891 176.600 0.142 0.000 0.969 129 E CA 1.739 58.204 56.400 0.109 0.000 0.815 129 E CB 0.882 30.654 29.700 0.121 0.000 0.776 129 E HN 0.144 8.467 8.360 0.020 0.049 0.457 130 T N -3.177 111.440 114.554 0.105 0.000 3.232 130 T HA 0.173 nan 4.350 nan 0.000 0.259 130 T C -0.256 174.501 174.700 0.095 0.000 0.987 130 T CA 1.128 63.309 62.100 0.134 0.000 1.096 130 T CB 1.393 70.382 68.868 0.202 0.000 1.131 130 T HN -0.319 7.960 8.240 0.066 0.000 0.445 131 D N -0.232 120.199 120.400 0.051 0.000 2.769 131 D HA -0.008 nan 4.640 nan 0.000 0.155 131 D C -0.365 175.955 176.300 0.034 0.000 1.479 131 D CA -0.020 54.010 54.000 0.051 0.000 1.511 131 D CB 0.441 41.280 40.800 0.065 0.000 1.634 131 D HN -0.314 8.074 8.370 0.031 0.000 0.282 132 V N 0.946 120.877 119.914 0.029 0.000 3.185 132 V HA 0.042 nan 4.120 nan 0.000 0.305 132 V C -0.907 175.207 176.094 0.033 0.000 1.090 132 V CA -0.681 61.640 62.300 0.036 0.000 1.107 132 V CB 0.887 32.738 31.823 0.045 0.000 1.061 132 V HN -0.515 7.689 8.190 0.022 0.000 0.480 133 L N 0.977 122.225 121.223 0.041 0.000 2.805 133 L HA 0.095 nan 4.340 nan 0.000 0.237 133 L C 0.134 177.025 176.870 0.034 0.000 1.252 133 L CA -0.752 54.093 54.840 0.010 0.000 1.064 133 L CB -0.982 41.067 42.059 -0.017 0.000 1.361 133 L HN 0.177 8.440 8.230 0.057 0.000 0.474 134 M N 2.276 121.930 119.600 0.091 0.000 2.241 134 M HA 0.102 nan 4.480 nan 0.000 0.335 134 M C -1.988 174.364 176.300 0.087 0.000 1.122 134 M CA -1.956 53.432 55.300 0.145 0.000 1.164 134 M CB 1.134 33.833 32.600 0.166 0.000 1.459 134 M HN -0.469 7.775 8.290 0.079 0.095 0.461 135 P HA 0.091 nan 4.420 nan 0.000 0.252 135 P C -1.420 175.900 177.300 0.033 0.000 1.727 135 P CA -0.611 62.573 63.100 0.140 0.000 1.134 135 P CB -0.987 30.851 31.700 0.231 0.000 1.876 136 A N 3.664 126.487 122.820 0.005 0.000 2.276 136 A HA -0.102 nan 4.320 nan 0.000 0.205 136 A C -0.441 176.989 177.584 -0.257 0.000 1.234 136 A CA 1.745 53.683 52.037 -0.164 0.000 0.797 136 A CB -1.953 16.817 19.000 -0.383 0.000 0.769 136 A HN -0.047 8.135 8.150 0.053 0.000 0.491 137 P HA -0.282 nan 4.420 nan 0.000 0.214 137 P C 1.161 178.237 177.300 -0.375 0.000 1.162 137 P CA 2.692 65.431 63.100 -0.603 0.000 0.879 137 P CB -0.377 31.008 31.700 -0.524 0.000 0.786 138 I N -3.793 116.615 120.570 -0.271 0.000 2.335 138 I HA -0.440 nan 4.170 nan 0.000 0.251 138 I C 1.190 177.214 176.117 -0.155 0.000 1.129 138 I CA 3.271 64.429 61.300 -0.237 0.000 1.402 138 I CB -0.050 37.836 38.000 -0.189 0.000 1.069 138 I HN -0.431 7.625 8.210 -0.257 0.000 0.424 139 T N 2.815 117.310 114.554 -0.099 0.000 2.698 139 T HA -0.268 nan 4.350 nan 0.000 0.260 139 T C 1.891 176.578 174.700 -0.022 0.000 1.044 139 T CA 4.844 66.914 62.100 -0.049 0.000 1.149 139 T CB -0.531 68.217 68.868 -0.200 0.000 0.864 139 T HN -0.325 7.809 8.240 -0.143 0.020 0.419 140 Y N 1.458 121.740 120.300 -0.029 0.000 2.333 140 Y HA -0.339 nan 4.550 nan 0.000 0.290 140 Y C 1.944 177.802 175.900 -0.069 0.000 1.144 140 Y CA 0.792 58.885 58.100 -0.011 0.000 1.228 140 Y CB -1.526 36.988 38.460 0.089 0.000 0.985 140 Y HN 0.146 8.182 8.280 -0.208 0.118 0.542 141 A N 0.358 123.165 122.820 -0.021 0.000 1.849 141 A HA -0.427 nan 4.320 nan 0.000 0.217 141 A C 1.986 179.560 177.584 -0.016 0.000 1.202 141 A CA 3.353 55.343 52.037 -0.078 0.000 0.629 141 A CB -1.118 17.768 19.000 -0.190 0.000 0.834 141 A HN 0.440 8.523 8.150 -0.113 0.000 0.447 142 H N -0.865 118.180 119.070 -0.042 0.000 2.352 142 H HA -0.224 nan 4.556 nan 0.000 0.299 142 H C 1.947 177.202 175.328 -0.121 0.000 1.097 142 H CA 3.024 59.036 56.048 -0.060 0.000 1.311 142 H CB -0.104 29.652 29.762 -0.010 0.000 1.377 142 H HN 0.002 8.170 8.280 0.009 0.118 0.504 143 R N -3.875 116.699 120.500 0.123 0.000 2.073 143 R HA -0.129 nan 4.340 nan 0.000 0.229 143 R C 2.386 178.687 176.300 0.001 0.000 1.120 143 R CA 1.343 57.486 56.100 0.070 0.000 0.967 143 R CB 0.151 30.590 30.300 0.232 0.000 0.862 143 R HN 0.105 8.449 8.270 0.176 0.032 0.436 144 L N 0.738 121.978 121.223 0.029 0.000 1.989 144 L HA -0.231 nan 4.340 nan 0.000 0.211 144 L C 1.361 178.184 176.870 -0.077 0.000 1.071 144 L CA 3.226 58.054 54.840 -0.019 0.000 0.749 144 L CB 0.348 42.398 42.059 -0.016 0.000 0.890 144 L HN -0.372 7.902 8.230 0.084 0.006 0.431 145 V N -8.135 111.716 119.914 -0.106 0.000 3.095 145 V HA 0.229 nan 4.120 nan 0.000 0.388 145 V C -0.043 175.807 176.094 -0.406 0.000 1.286 145 V CA -1.431 60.769 62.300 -0.167 0.000 1.406 145 V CB -2.387 29.380 31.823 -0.094 0.000 1.363 145 V HN -0.526 7.619 8.190 -0.075 0.000 0.532 146 Q N 2.789 122.351 119.800 -0.397 0.000 2.324 146 Q HA -0.054 nan 4.340 nan 0.000 0.207 146 Q C 1.799 177.653 176.000 -0.243 0.000 0.928 146 Q CA 2.545 58.022 55.803 -0.542 0.000 0.890 146 Q CB 0.710 29.230 28.738 -0.362 0.000 1.001 146 Q HN 0.111 8.010 8.270 -0.238 0.229 0.517 147 R N 0.255 120.666 120.500 -0.150 0.000 2.127 147 R HA -0.390 nan 4.340 nan 0.000 0.238 147 R C 1.642 177.891 176.300 -0.085 0.000 1.134 147 R CA 3.310 59.353 56.100 -0.095 0.000 0.975 147 R CB -0.221 30.036 30.300 -0.073 0.000 0.865 147 R HN -0.565 7.620 8.270 -0.141 0.000 0.447 148 Q N -1.030 118.718 119.800 -0.086 0.000 2.118 148 Q HA -0.384 nan 4.340 nan 0.000 0.211 148 Q C 1.825 177.799 176.000 -0.044 0.000 0.998 148 Q CA 3.289 59.054 55.803 -0.062 0.000 0.872 148 Q CB -0.623 28.090 28.738 -0.041 0.000 0.925 148 Q HN -0.091 8.120 8.270 -0.099 0.000 0.414 149 A N -2.232 120.578 122.820 -0.016 0.000 1.877 149 A HA -0.325 nan 4.320 nan 0.000 0.216 149 A C 1.690 179.264 177.584 -0.016 0.000 1.186 149 A CA 3.095 55.139 52.037 0.010 0.000 0.620 149 A CB -1.145 17.903 19.000 0.081 0.000 0.822 149 A HN -0.458 7.674 8.150 -0.026 0.003 0.443 150 E N -1.077 119.105 120.200 -0.030 0.000 2.097 150 E HA -0.347 nan 4.350 nan 0.000 0.196 150 E C 2.353 178.924 176.600 -0.047 0.000 1.000 150 E CA 3.026 59.406 56.400 -0.034 0.000 0.804 150 E CB -0.084 29.591 29.700 -0.041 0.000 0.740 150 E HN -0.630 7.610 8.360 -0.041 0.095 0.454 151 V N -0.780 119.095 119.914 -0.065 0.000 2.261 151 V HA -0.431 nan 4.120 nan 0.000 0.246 151 V C 1.713 177.756 176.094 -0.085 0.000 1.047 151 V CA 4.817 67.064 62.300 -0.089 0.000 1.015 151 V CB -0.804 30.945 31.823 -0.122 0.000 0.642 151 V HN 0.056 8.195 8.190 -0.066 0.011 0.446 152 R N -0.788 119.668 120.500 -0.073 0.000 2.083 152 R HA -0.295 nan 4.340 nan 0.000 0.237 152 R C 1.756 178.029 176.300 -0.045 0.000 1.137 152 R CA 2.775 58.837 56.100 -0.064 0.000 0.951 152 R CB -0.744 29.523 30.300 -0.055 0.000 0.851 152 R HN -0.487 7.666 8.270 -0.066 0.077 0.434 153 K N -2.589 117.790 120.400 -0.034 0.000 2.296 153 K HA -0.102 nan 4.320 nan 0.000 0.200 153 K C 0.865 177.450 176.600 -0.025 0.000 1.048 153 K CA 1.517 57.790 56.287 -0.022 0.000 0.966 153 K CB 0.148 32.641 32.500 -0.012 0.000 0.754 153 K HN -0.360 7.871 8.250 -0.033 0.000 0.466 154 N N -2.502 116.177 118.700 -0.035 0.000 2.336 154 N HA -0.043 nan 4.740 nan 0.000 0.189 154 N C 0.899 176.384 175.510 -0.041 0.000 1.113 154 N CA -0.354 52.675 53.050 -0.035 0.000 0.858 154 N CB 0.212 38.676 38.487 -0.038 0.000 0.970 154 N HN -0.405 7.800 8.380 -0.043 0.149 0.471 155 G N -1.715 107.056 108.800 -0.048 0.000 2.241 155 G HA2 -0.413 nan 3.960 nan 0.000 0.244 155 G HA3 -0.413 nan 3.960 nan 0.000 0.244 155 G C 0.738 175.596 174.900 -0.071 0.000 0.998 155 G CA 0.481 45.554 45.100 -0.046 0.000 0.621 155 G HN 0.191 8.424 8.290 -0.054 0.024 0.519 156 T N -1.207 113.294 114.554 -0.089 0.000 2.735 156 T HA -0.151 nan 4.350 nan 0.000 0.256 156 T C 0.436 175.036 174.700 -0.166 0.000 1.042 156 T CA 1.312 63.352 62.100 -0.101 0.000 1.147 156 T CB 0.590 69.404 68.868 -0.091 0.000 0.865 156 T HN -0.322 8.087 8.240 -0.086 -0.220 0.421 157 L N 1.814 122.886 121.223 -0.251 0.000 2.272 157 L HA 0.450 nan 4.340 nan 0.000 0.289 157 L C -1.440 175.146 176.870 -0.473 0.000 1.032 157 L CA -3.621 50.934 54.840 -0.474 0.000 0.810 157 L CB 1.570 43.268 42.059 -0.603 0.000 1.205 157 L HN -0.277 7.823 8.230 -0.216 0.000 0.422 158 P HA 0.219 nan 4.420 nan 0.000 0.269 158 P C -0.916 176.399 177.300 0.024 0.000 1.231 158 P CA 0.479 63.486 63.100 -0.156 0.000 0.865 158 P CB 0.893 32.568 31.700 -0.041 0.000 1.243 159 W N -3.674 117.631 121.300 0.007 0.000 3.316 159 W HA 0.307 nan 4.660 nan 0.000 0.327 159 W C -1.325 175.196 176.519 0.004 0.000 1.232 159 W CA -2.400 54.948 57.345 0.005 0.000 1.805 159 W CB -0.402 29.065 29.460 0.011 0.000 1.090 159 W HN -0.401 7.565 8.180 -0.357 0.000 0.654 160 L N -2.231 119.173 121.223 0.302 0.000 2.313 160 L HA 0.371 nan 4.340 nan 0.000 0.282 160 L C -0.354 176.577 176.870 0.103 0.000 1.092 160 L CA -1.074 53.906 54.840 0.233 0.000 0.831 160 L CB 0.231 42.320 42.059 0.050 0.000 1.159 160 L HN -0.819 7.396 8.230 0.122 0.089 0.442 161 R N 4.453 125.012 120.500 0.098 0.000 2.652 161 R HA 0.207 nan 4.340 nan 0.000 0.272 161 R C -0.981 175.274 176.300 -0.075 0.000 1.162 161 R CA -2.031 54.062 56.100 -0.011 0.000 1.199 161 R CB -1.897 28.429 30.300 0.042 0.000 1.166 161 R HN 0.285 8.654 8.270 0.165 0.000 0.597 162 P HA 0.007 nan 4.420 nan 0.000 0.220 162 P C -0.564 176.702 177.300 -0.056 0.000 1.152 162 P CA 1.127 64.108 63.100 -0.198 0.000 0.812 162 P CB 0.499 31.919 31.700 -0.466 0.000 0.792 163 D N 0.251 120.649 120.400 -0.003 0.000 2.455 163 D HA -0.021 nan 4.640 nan 0.000 0.241 163 D C -1.735 174.525 176.300 -0.068 0.000 1.138 163 D CA 1.964 55.966 54.000 0.003 0.000 0.877 163 D CB 0.326 41.131 40.800 0.007 0.000 1.187 163 D HN -0.454 8.186 8.370 0.013 -0.262 0.451 164 A N 2.742 125.525 122.820 -0.063 0.000 2.442 164 A HA 0.415 nan 4.320 nan 0.000 0.284 164 A C -2.145 175.361 177.584 -0.132 0.000 1.058 164 A CA -0.906 51.068 52.037 -0.105 0.000 0.738 164 A CB 2.713 21.690 19.000 -0.038 0.000 1.242 164 A HN 0.398 8.541 8.150 -0.011 0.000 0.421 165 K N 3.319 123.589 120.400 -0.217 0.000 2.132 165 K HA 0.746 nan 4.320 nan 0.000 0.241 165 K C -1.601 174.921 176.600 -0.130 0.000 1.000 165 K CA -2.175 53.998 56.287 -0.190 0.000 0.911 165 K CB 2.530 34.902 32.500 -0.213 0.000 1.093 165 K HN 0.797 8.771 8.250 -0.291 0.101 0.460 166 S N -1.007 114.630 115.700 -0.106 0.000 2.565 166 S HA 0.408 nan 4.470 nan 0.000 0.274 166 S C -2.283 172.266 174.600 -0.086 0.000 1.144 166 S CA -0.283 57.866 58.200 -0.086 0.000 0.849 166 S CB 3.215 66.363 63.200 -0.087 0.000 1.103 166 S HN 0.220 8.460 8.310 -0.117 0.000 0.455 167 Q N -0.734 119.019 119.800 -0.078 0.000 2.305 167 Q HA 0.553 nan 4.340 nan 0.000 0.271 167 Q C -2.327 173.613 176.000 -0.100 0.000 1.046 167 Q CA -0.751 55.002 55.803 -0.083 0.000 0.798 167 Q CB 4.600 33.307 28.738 -0.051 0.000 1.286 167 Q HN -0.149 8.074 8.270 -0.077 0.000 0.435 168 V N 3.861 123.701 119.914 -0.124 0.000 2.539 168 V HA 0.610 nan 4.120 nan 0.000 0.292 168 V C -2.231 173.812 176.094 -0.085 0.000 1.045 168 V CA -1.931 60.294 62.300 -0.125 0.000 0.945 168 V CB 2.638 34.321 31.823 -0.234 0.000 0.993 168 V HN 0.195 8.300 8.190 -0.143 0.000 0.464 169 T N 10.541 125.097 114.554 0.004 0.000 2.934 169 T HA 0.482 nan 4.350 nan 0.000 0.328 169 T C -1.665 173.165 174.700 0.217 0.000 1.068 169 T CA -0.679 61.462 62.100 0.069 0.000 1.018 169 T CB 0.019 68.896 68.868 0.015 0.000 1.009 169 T HN 0.587 8.844 8.240 0.027 0.000 0.471 170 F N 5.275 125.230 119.950 0.009 0.000 2.375 170 F HA 0.545 nan 4.527 nan 0.000 0.333 170 F C -1.236 174.590 175.800 0.044 0.000 1.104 170 F CA -3.035 54.926 58.000 -0.065 0.000 1.149 170 F CB 1.599 40.510 39.000 -0.148 0.000 1.190 170 F HN 0.472 8.932 8.300 0.268 0.000 0.533 171 Q N -0.769 119.087 119.800 0.094 0.000 2.226 171 Q HA 0.726 nan 4.340 nan 0.000 0.256 171 Q C -1.683 174.302 176.000 -0.025 0.000 0.962 171 Q CA -1.431 54.433 55.803 0.101 0.000 0.887 171 Q CB 2.569 31.335 28.738 0.048 0.000 1.282 171 Q HN 0.223 8.459 8.270 -0.057 0.000 0.449 172 Y N -0.036 120.298 120.300 0.056 0.000 2.477 172 Y HA 0.173 nan 4.550 nan 0.000 0.347 172 Y C -1.576 174.340 175.900 0.025 0.000 0.981 172 Y CA -0.444 57.701 58.100 0.076 0.000 1.033 172 Y CB 4.011 42.563 38.460 0.153 0.000 1.245 172 Y HN 0.751 9.166 8.280 0.225 0.000 0.455 173 D N 1.839 122.325 120.400 0.143 0.000 2.392 173 D HA 0.078 nan 4.640 nan 0.000 0.246 173 D C -0.544 175.841 176.300 0.142 0.000 1.013 173 D CA -1.747 52.310 54.000 0.094 0.000 0.993 173 D CB 2.459 43.283 40.800 0.040 0.000 1.219 173 D HN 0.020 8.452 8.370 0.103 0.000 0.538 174 D N 0.368 120.808 120.400 0.068 0.000 2.393 174 D HA -0.181 nan 4.640 nan 0.000 0.220 174 D C 0.693 177.048 176.300 0.092 0.000 0.974 174 D CA 1.541 55.579 54.000 0.062 0.000 0.931 174 D CB 0.184 40.994 40.800 0.016 0.000 0.889 174 D HN 0.326 8.713 8.370 0.027 0.000 0.512 175 G N -0.397 108.465 108.800 0.103 0.000 3.157 175 G HA2 0.096 nan 3.960 nan 0.000 0.206 175 G HA3 0.096 nan 3.960 nan 0.000 0.206 175 G C -0.299 174.684 174.900 0.139 0.000 1.903 175 G CA -0.271 44.889 45.100 0.100 0.000 0.771 175 G HN -0.534 7.725 8.290 0.104 0.093 0.750 176 K N -0.584 119.882 120.400 0.108 0.000 2.057 176 K HA 0.037 nan 4.320 nan 0.000 0.209 176 K C -0.917 175.738 176.600 0.091 0.000 1.028 176 K CA 0.502 56.859 56.287 0.117 0.000 0.950 176 K CB 0.591 33.147 32.500 0.093 0.000 0.784 176 K HN -0.028 8.272 8.250 0.084 0.000 0.448 177 I N -6.514 114.086 120.570 0.049 0.000 2.608 177 I HA 0.123 nan 4.170 nan 0.000 0.280 177 I C -1.317 174.769 176.117 -0.051 0.000 1.186 177 I CA -1.030 60.256 61.300 -0.025 0.000 1.081 177 I CB 0.524 38.662 38.000 0.229 0.000 1.272 177 I HN -0.629 7.618 8.210 0.061 0.000 0.460 178 V N 5.991 125.787 119.914 -0.198 0.000 2.398 178 V HA 0.451 nan 4.120 nan 0.000 0.236 178 V C -0.662 175.355 176.094 -0.129 0.000 1.054 178 V CA 0.332 62.568 62.300 -0.106 0.000 1.060 178 V CB 1.207 32.994 31.823 -0.059 0.000 0.707 178 V HN 0.328 8.312 8.190 -0.343 0.000 0.480 179 G N -3.349 105.255 108.800 -0.326 0.000 2.673 179 G HA2 0.277 nan 3.960 nan 0.000 0.292 179 G HA3 0.277 nan 3.960 nan 0.000 0.292 179 G C -2.709 171.931 174.900 -0.433 0.000 1.450 179 G CA 0.256 45.202 45.100 -0.257 0.000 0.837 179 G HN -0.704 7.322 8.290 -0.439 0.000 0.505 180 I N -0.979 119.401 120.570 -0.318 0.000 2.472 180 I HA 0.275 nan 4.170 nan 0.000 0.290 180 I C -1.048 175.035 176.117 -0.056 0.000 1.016 180 I CA -2.282 58.887 61.300 -0.219 0.000 1.348 180 I CB -0.028 37.942 38.000 -0.050 0.000 1.417 180 I HN -0.347 7.764 8.210 -0.166 0.000 0.521 181 D N 5.419 125.820 120.400 0.002 0.000 2.338 181 D HA 0.081 nan 4.640 nan 0.000 0.224 181 D C -1.143 175.159 176.300 0.004 0.000 0.967 181 D CA 1.398 55.405 54.000 0.011 0.000 0.896 181 D CB 3.019 43.834 40.800 0.026 0.000 1.028 181 D HN 0.345 8.741 8.370 0.044 0.000 0.493 182 A N -3.717 119.100 122.820 -0.004 0.000 2.594 182 A HA 0.718 nan 4.320 nan 0.000 0.295 182 A C -3.032 174.496 177.584 -0.094 0.000 1.071 182 A CA -0.474 51.499 52.037 -0.107 0.000 0.685 182 A CB 3.639 22.462 19.000 -0.294 0.000 1.285 182 A HN -0.316 7.856 8.150 0.037 0.000 0.405 183 V N 0.296 120.098 119.914 -0.188 0.000 2.891 183 V HA 0.754 nan 4.120 nan 0.000 0.304 183 V C -2.806 173.107 176.094 -0.301 0.000 1.171 183 V CA -0.492 61.674 62.300 -0.225 0.000 0.943 183 V CB 4.417 36.125 31.823 -0.192 0.000 1.037 183 V HN 0.385 8.448 8.190 -0.212 0.000 0.427 184 V N 7.723 127.526 119.914 -0.185 0.000 2.789 184 V HA 0.880 nan 4.120 nan 0.000 0.311 184 V C -2.841 173.208 176.094 -0.075 0.000 1.073 184 V CA -2.228 60.026 62.300 -0.077 0.000 0.921 184 V CB 4.032 35.886 31.823 0.052 0.000 1.009 184 V HN 0.365 8.463 8.190 -0.153 0.000 0.426 185 L N 7.580 128.775 121.223 -0.046 0.000 2.362 185 L HA 0.624 nan 4.340 nan 0.000 0.275 185 L C -1.986 174.865 176.870 -0.032 0.000 0.998 185 L CA -0.954 53.855 54.840 -0.052 0.000 0.820 185 L CB 4.420 46.446 42.059 -0.055 0.000 1.270 185 L HN 0.355 8.577 8.230 -0.013 0.000 0.415 186 S N 7.427 123.071 115.700 -0.094 0.000 2.594 186 S HA 0.374 nan 4.470 nan 0.000 0.322 186 S C -1.652 172.781 174.600 -0.278 0.000 1.085 186 S CA -1.119 56.968 58.200 -0.190 0.000 1.116 186 S CB 1.155 64.115 63.200 -0.399 0.000 0.979 186 S HN 0.419 8.658 8.310 -0.117 0.000 0.465 187 T N 5.977 120.445 114.554 -0.142 0.000 2.929 187 T HA 0.300 nan 4.350 nan 0.000 0.284 187 T C -1.460 173.206 174.700 -0.056 0.000 1.014 187 T CA -0.568 61.483 62.100 -0.080 0.000 1.051 187 T CB 1.367 70.264 68.868 0.047 0.000 1.028 187 T HN 0.352 8.556 8.240 -0.059 0.000 0.485 188 Q N 4.893 124.702 119.800 0.016 0.000 2.360 188 Q HA 0.290 nan 4.340 nan 0.000 0.254 188 Q C -0.633 175.531 176.000 0.274 0.000 0.975 188 Q CA -0.906 55.008 55.803 0.185 0.000 0.912 188 Q CB 1.050 29.891 28.738 0.171 0.000 1.212 188 Q HN 0.168 8.435 8.270 -0.006 0.000 0.452 189 H N 3.724 122.872 119.070 0.131 0.000 2.509 189 H HA 0.528 nan 4.556 nan 0.000 0.359 189 H C -1.000 174.356 175.328 0.047 0.000 1.253 189 H CA -3.295 52.813 56.048 0.100 0.000 1.373 189 H CB 1.304 31.038 29.762 -0.047 0.000 1.555 189 H HN 0.652 9.220 8.280 0.479 0.000 0.586 190 S N -0.585 115.058 115.700 -0.095 0.000 2.572 190 S HA -0.180 nan 4.470 nan 0.000 0.267 190 S C 1.197 175.457 174.600 -0.567 0.000 1.361 190 S CA -0.138 57.920 58.200 -0.237 0.000 1.009 190 S CB 0.744 63.866 63.200 -0.129 0.000 0.888 190 S HN -0.113 8.254 8.310 0.095 0.000 0.553 191 E N 3.310 123.335 120.200 -0.292 0.000 2.204 191 E HA -0.219 nan 4.350 nan 0.000 0.194 191 E C 0.432 176.881 176.600 -0.251 0.000 0.989 191 E CA 2.607 58.857 56.400 -0.250 0.000 0.824 191 E CB -0.185 29.461 29.700 -0.090 0.000 0.756 191 E HN 0.586 8.855 8.360 -0.150 0.000 0.477 192 E N -2.633 117.428 120.200 -0.231 0.000 2.170 192 E HA -0.153 nan 4.350 nan 0.000 0.191 192 E C 0.276 176.715 176.600 -0.268 0.000 0.981 192 E CA 0.781 57.072 56.400 -0.181 0.000 0.830 192 E CB 0.198 29.842 29.700 -0.094 0.000 0.775 192 E HN -0.170 8.025 8.360 -0.211 0.039 0.470 193 I N 1.413 121.705 120.570 -0.464 0.000 2.416 193 I HA -0.109 nan 4.170 nan 0.000 0.288 193 I C -1.387 174.585 176.117 -0.242 0.000 1.051 193 I CA -0.660 60.345 61.300 -0.493 0.000 1.375 193 I CB 1.158 38.478 38.000 -1.133 0.000 1.407 193 I HN -0.945 6.922 8.210 -0.572 0.000 0.516 194 D N 8.828 129.144 120.400 -0.141 0.000 2.443 194 D HA -0.105 nan 4.640 nan 0.000 0.239 194 D C 1.145 177.432 176.300 -0.023 0.000 1.136 194 D CA 1.100 55.069 54.000 -0.051 0.000 0.879 194 D CB 1.362 42.144 40.800 -0.029 0.000 1.195 194 D HN 0.066 8.349 8.370 -0.144 0.000 0.443 195 Q N 4.913 124.719 119.800 0.011 0.000 2.045 195 Q HA -0.346 nan 4.340 nan 0.000 0.206 195 Q C 2.210 178.219 176.000 0.015 0.000 0.991 195 Q CA 3.648 59.456 55.803 0.007 0.000 0.851 195 Q CB -0.292 28.446 28.738 -0.000 0.000 0.911 195 Q HN 0.531 8.811 8.270 0.017 0.000 0.418 196 K N -1.473 118.940 120.400 0.022 0.000 2.103 196 K HA -0.284 nan 4.320 nan 0.000 0.207 196 K C 2.098 178.731 176.600 0.054 0.000 1.048 196 K CA 2.591 58.901 56.287 0.038 0.000 0.930 196 K CB -0.624 31.894 32.500 0.031 0.000 0.716 196 K HN 0.166 8.426 8.250 0.016 0.000 0.444 197 S N -0.744 114.979 115.700 0.040 0.000 2.356 197 S HA -0.265 nan 4.470 nan 0.000 0.223 197 S C 1.913 176.582 174.600 0.115 0.000 1.032 197 S CA 3.032 61.267 58.200 0.059 0.000 1.005 197 S CB -0.283 62.926 63.200 0.016 0.000 0.867 197 S HN -0.603 7.588 8.310 0.018 0.130 0.449 198 L N 0.204 121.469 121.223 0.070 0.000 2.042 198 L HA -0.371 nan 4.340 nan 0.000 0.210 198 L C 1.346 178.377 176.870 0.268 0.000 1.076 198 L CA 3.179 58.133 54.840 0.191 0.000 0.749 198 L CB -0.511 41.545 42.059 -0.006 0.000 0.893 198 L HN -0.160 8.070 8.230 -0.000 0.000 0.432 199 Q N -1.705 118.189 119.800 0.157 0.000 2.045 199 Q HA -0.464 nan 4.340 nan 0.000 0.206 199 Q C 2.554 178.646 176.000 0.153 0.000 0.991 199 Q CA 3.562 59.451 55.803 0.143 0.000 0.851 199 Q CB -0.562 28.245 28.738 0.116 0.000 0.911 199 Q HN -0.352 7.984 8.270 0.111 0.000 0.418 200 E N -1.148 119.139 120.200 0.145 0.000 2.028 200 E HA -0.277 nan 4.350 nan 0.000 0.191 200 E C 2.046 178.725 176.600 0.131 0.000 0.988 200 E CA 2.532 59.009 56.400 0.128 0.000 0.799 200 E CB -0.552 29.211 29.700 0.105 0.000 0.755 200 E HN -0.638 7.794 8.360 0.140 0.012 0.447 201 A N -1.294 121.624 122.820 0.163 0.000 2.067 201 A HA -0.149 nan 4.320 nan 0.000 0.219 201 A C 2.594 180.219 177.584 0.068 0.000 1.158 201 A CA 2.541 54.649 52.037 0.118 0.000 0.661 201 A CB -0.603 18.485 19.000 0.148 0.000 0.801 201 A HN -0.613 7.663 8.150 0.211 0.000 0.452 202 V N 0.412 120.399 119.914 0.121 0.000 2.223 202 V HA -0.452 nan 4.120 nan 0.000 0.244 202 V C 2.193 178.319 176.094 0.054 0.000 1.045 202 V CA 4.595 66.938 62.300 0.072 0.000 1.000 202 V CB -0.533 31.361 31.823 0.118 0.000 0.635 202 V HN -0.065 8.235 8.190 0.202 0.012 0.445 203 M N -0.358 119.298 119.600 0.093 0.000 2.115 203 M HA -0.430 nan 4.480 nan 0.000 0.258 203 M C 2.175 178.535 176.300 0.099 0.000 1.071 203 M CA 2.576 57.950 55.300 0.123 0.000 1.100 203 M CB -0.862 31.845 32.600 0.179 0.000 1.292 203 M HN 0.168 8.436 8.290 0.116 0.091 0.415 204 E N -5.906 114.342 120.200 0.081 0.000 2.485 204 E HA -0.177 nan 4.350 nan 0.000 0.194 204 E C 0.738 177.354 176.600 0.027 0.000 1.098 204 E CA 1.694 58.127 56.400 0.057 0.000 0.878 204 E CB -0.630 29.102 29.700 0.052 0.000 0.939 204 E HN -0.253 8.159 8.360 0.086 0.000 0.503 205 E N -3.227 116.982 120.200 0.014 0.000 2.714 205 E HA -0.004 nan 4.350 nan 0.000 0.240 205 E C -0.157 176.422 176.600 -0.035 0.000 1.102 205 E CA 0.468 56.857 56.400 -0.017 0.000 1.758 205 E CB 2.207 31.885 29.700 -0.036 0.000 2.849 205 E HN -0.167 8.008 8.360 0.024 0.199 1.071 206 I N 1.033 121.577 120.570 -0.043 0.000 2.130 206 I HA -0.367 nan 4.170 nan 0.000 0.234 206 I C 1.158 177.252 176.117 -0.039 0.000 1.067 206 I CA 3.393 64.662 61.300 -0.051 0.000 1.339 206 I CB 0.530 38.492 38.000 -0.063 0.000 1.073 206 I HN -0.080 8.019 8.210 -0.037 0.088 0.405 207 I N -1.138 119.411 120.570 -0.035 0.000 2.090 207 I HA -0.575 nan 4.170 nan 0.000 0.236 207 I C 1.406 177.516 176.117 -0.012 0.000 1.064 207 I CA 3.796 65.064 61.300 -0.052 0.000 1.324 207 I CB 0.147 38.071 38.000 -0.126 0.000 1.044 207 I HN -0.844 7.352 8.210 -0.023 0.000 0.399 208 K N -0.508 119.912 120.400 0.034 0.000 1.977 208 K HA -0.181 nan 4.320 nan 0.000 0.218 208 K C -1.041 175.568 176.600 0.014 0.000 1.051 208 K CA 4.448 60.770 56.287 0.059 0.000 0.953 208 K CB -2.324 30.218 32.500 0.071 0.000 0.727 208 K HN -0.694 7.583 8.250 0.045 0.000 0.445 209 P HA 0.082 nan 4.420 nan 0.000 0.253 209 P C -0.321 176.964 177.300 -0.026 0.000 1.281 209 P CA 0.732 63.822 63.100 -0.017 0.000 0.792 209 P CB -0.472 31.219 31.700 -0.016 0.000 1.193 210 I N -0.495 120.059 120.570 -0.026 0.000 2.834 210 I HA -0.018 nan 4.170 nan 0.000 0.239 210 I C 0.409 176.477 176.117 -0.081 0.000 1.073 210 I CA -0.089 61.194 61.300 -0.029 0.000 1.459 210 I CB 0.130 38.124 38.000 -0.010 0.000 1.288 210 I HN -0.728 7.406 8.210 -0.020 0.064 0.455 211 L N 2.285 123.473 121.223 -0.057 0.000 2.565 211 L HA 0.149 nan 4.340 nan 0.000 0.275 211 L C -1.894 174.952 176.870 -0.040 0.000 1.137 211 L CA -1.842 52.958 54.840 -0.067 0.000 0.915 211 L CB -0.398 41.676 42.059 0.025 0.000 1.232 211 L HN -0.698 7.517 8.230 -0.025 0.000 0.473 212 P HA 0.009 nan 4.420 nan 0.000 0.264 212 P C -0.310 176.915 177.300 -0.125 0.000 1.236 212 P CA 0.035 63.019 63.100 -0.194 0.000 0.811 212 P CB 0.407 31.842 31.700 -0.442 0.000 0.840 213 A N 6.361 129.117 122.820 -0.106 0.000 2.084 213 A HA -0.386 nan 4.320 nan 0.000 0.221 213 A C 1.409 178.937 177.584 -0.093 0.000 1.161 213 A CA 2.773 54.782 52.037 -0.047 0.000 0.653 213 A CB -0.378 18.593 19.000 -0.048 0.000 0.802 213 A HN 0.635 8.718 8.150 -0.112 0.000 0.457 214 E N -1.991 118.056 120.200 -0.255 0.000 2.097 214 E HA -0.251 nan 4.350 nan 0.000 0.196 214 E C 2.159 178.683 176.600 -0.128 0.000 1.000 214 E CA 2.255 58.494 56.400 -0.269 0.000 0.804 214 E CB -0.630 28.785 29.700 -0.475 0.000 0.740 214 E HN -0.604 7.480 8.360 -0.377 0.050 0.454 215 W N -1.447 119.788 121.300 -0.108 0.000 3.043 215 W HA 0.145 nan 4.660 nan 0.000 0.435 215 W C -1.505 174.954 176.519 -0.099 0.000 0.851 215 W CA -1.030 56.235 57.345 -0.134 0.000 2.031 215 W CB -1.574 27.747 29.460 -0.231 0.000 0.919 215 W HN -0.604 7.546 8.180 -0.003 0.029 0.796 216 L N 1.911 123.197 121.223 0.104 0.000 2.314 216 L HA 0.179 nan 4.340 nan 0.000 0.275 216 L C -0.182 176.688 176.870 -0.001 0.000 1.068 216 L CA -0.782 54.090 54.840 0.054 0.000 0.894 216 L CB -0.027 42.052 42.059 0.033 0.000 1.275 216 L HN -0.572 7.629 8.230 0.056 0.063 0.432 217 T N 2.330 116.881 114.554 -0.004 0.000 2.926 217 T HA 0.169 nan 4.350 nan 0.000 0.307 217 T C 1.906 176.570 174.700 -0.060 0.000 1.059 217 T CA -0.620 61.465 62.100 -0.025 0.000 1.122 217 T CB 1.204 70.061 68.868 -0.018 0.000 0.972 217 T HN -0.181 8.067 8.240 0.013 0.000 0.545 218 S N 4.046 119.716 115.700 -0.050 0.000 2.571 218 S HA -0.188 nan 4.470 nan 0.000 0.245 218 S C -0.274 174.295 174.600 -0.051 0.000 0.976 218 S CA 2.428 60.594 58.200 -0.057 0.000 0.954 218 S CB -0.998 62.180 63.200 -0.036 0.000 0.756 218 S HN 0.588 8.876 8.310 -0.036 0.000 0.535 219 A N -0.516 122.278 122.820 -0.043 0.000 2.630 219 A HA 0.190 nan 4.320 nan 0.000 0.287 219 A C -1.200 176.375 177.584 -0.014 0.000 1.040 219 A CA -0.197 51.827 52.037 -0.022 0.000 0.971 219 A CB 1.327 20.324 19.000 -0.004 0.000 1.241 219 A HN -0.422 7.601 8.150 -0.042 0.102 0.558 220 T N 4.036 118.569 114.554 -0.036 0.000 2.759 220 T HA -0.180 nan 4.350 nan 0.000 0.273 220 T C 0.014 174.767 174.700 0.088 0.000 0.938 220 T CA 1.087 63.203 62.100 0.026 0.000 1.197 220 T CB -1.259 67.628 68.868 0.033 0.000 0.887 220 T HN -0.439 7.657 8.240 -0.075 0.099 0.540 221 K N 6.736 127.178 120.400 0.070 0.000 2.453 221 K HA -0.175 nan 4.320 nan 0.000 0.280 221 K C -0.754 175.927 176.600 0.134 0.000 1.045 221 K CA 0.751 57.070 56.287 0.053 0.000 1.059 221 K CB 0.553 32.960 32.500 -0.155 0.000 0.901 221 K HN 0.372 8.636 8.250 0.024 0.000 0.475 222 F N 5.259 125.211 119.950 0.003 0.000 2.387 222 F HA 0.241 nan 4.527 nan 0.000 0.332 222 F C -1.397 174.544 175.800 0.235 0.000 1.174 222 F CA -2.564 55.468 58.000 0.052 0.000 1.257 222 F CB -0.301 38.743 39.000 0.074 0.000 1.569 222 F HN 0.279 8.839 8.300 0.434 0.000 0.554 223 F N 3.118 123.097 119.950 0.048 0.000 2.600 223 F HA 0.031 nan 4.527 nan 0.000 0.345 223 F C -0.334 175.460 175.800 -0.010 0.000 1.271 223 F CA -2.975 55.044 58.000 0.032 0.000 1.138 223 F CB -2.097 36.922 39.000 0.032 0.000 1.449 223 F HN -0.034 8.187 8.300 -0.131 0.000 0.645 224 I N 4.599 125.277 120.570 0.180 0.000 2.357 224 I HA -0.184 nan 4.170 nan 0.000 0.300 224 I C -0.718 175.457 176.117 0.097 0.000 1.159 224 I CA -1.818 59.544 61.300 0.102 0.000 1.339 224 I CB -2.770 35.283 38.000 0.088 0.000 1.458 224 I HN -0.207 8.093 8.210 0.213 0.038 0.577 225 N N 5.415 124.176 118.700 0.103 0.000 2.586 225 N HA -0.238 nan 4.740 nan 0.000 0.282 225 N C -1.768 173.782 175.510 0.067 0.000 1.171 225 N CA 0.030 53.147 53.050 0.110 0.000 0.733 225 N CB -1.047 37.524 38.487 0.140 0.000 0.910 225 N HN -0.324 8.096 8.380 0.109 0.026 0.548 226 P HA -0.038 nan 4.420 nan 0.000 0.231 226 P C -1.118 176.159 177.300 -0.038 0.000 1.756 226 P CA 0.152 63.220 63.100 -0.054 0.000 0.990 226 P CB -1.456 30.141 31.700 -0.172 0.000 1.973 227 T N -4.085 110.456 114.554 -0.023 0.000 3.822 227 T HA 0.014 nan 4.350 nan 0.000 0.318 227 T C 1.255 175.917 174.700 -0.063 0.000 0.894 227 T CA 0.413 62.478 62.100 -0.057 0.000 1.147 227 T CB 0.925 69.746 68.868 -0.080 0.000 1.088 227 T HN 0.440 8.638 8.240 -0.017 0.032 0.529 228 G N 4.944 113.726 108.800 -0.030 0.000 3.548 228 G HA2 -0.510 nan 3.960 nan 0.000 0.224 228 G HA3 -0.510 nan 3.960 nan 0.000 0.224 228 G C -0.395 174.340 174.900 -0.275 0.000 1.351 228 G CA 1.468 46.497 45.100 -0.118 0.000 0.905 228 G HN -0.004 8.311 8.290 0.049 0.005 0.561 229 R N 3.071 123.484 120.500 -0.145 0.000 2.526 229 R HA -0.054 nan 4.340 nan 0.000 0.223 229 R C -0.153 176.158 176.300 0.018 0.000 1.250 229 R CA -1.125 54.949 56.100 -0.043 0.000 1.227 229 R CB -0.738 29.562 30.300 -0.001 0.000 1.109 229 R HN -0.210 7.931 8.270 -0.097 0.070 0.499 230 F N 0.662 120.557 119.950 -0.092 0.000 2.533 230 F HA -0.200 nan 4.527 nan 0.000 0.378 230 F C -1.052 174.839 175.800 0.152 0.000 1.070 230 F CA 2.366 60.376 58.000 0.016 0.000 1.172 230 F CB -0.060 38.945 39.000 0.007 0.000 1.085 230 F HN -0.536 7.684 8.300 0.035 0.101 0.552 231 V N 6.189 126.313 119.914 0.349 0.000 4.905 231 V HA 0.051 nan 4.120 nan 0.000 0.134 231 V C -1.514 174.701 176.094 0.203 0.000 1.269 231 V CA 1.113 63.586 62.300 0.287 0.000 1.048 231 V CB 2.455 34.441 31.823 0.271 0.000 1.229 231 V HN -0.003 8.365 8.190 0.297 0.000 0.644 232 I N 1.018 121.681 120.570 0.154 0.000 2.389 232 I HA -0.091 nan 4.170 nan 0.000 0.295 232 I C -0.636 175.581 176.117 0.167 0.000 1.117 232 I CA 1.471 62.849 61.300 0.129 0.000 1.317 232 I CB -1.168 36.883 38.000 0.084 0.000 1.431 232 I HN 0.040 8.328 8.210 0.131 0.000 0.521 233 G N 5.077 113.993 108.800 0.194 0.000 3.253 233 G HA2 0.476 nan 3.960 nan 0.000 0.175 233 G HA3 0.476 nan 3.960 nan 0.000 0.175 233 G C -1.126 173.874 174.900 0.168 0.000 1.098 233 G CA -1.171 44.072 45.100 0.238 0.000 0.790 233 G HN -0.376 8.020 8.290 0.176 0.000 0.648 234 G N 0.079 108.999 108.800 0.199 0.000 2.578 234 G HA2 -0.312 nan 3.960 nan 0.000 0.284 234 G HA3 -0.312 nan 3.960 nan 0.000 0.284 234 G C -1.855 172.993 174.900 -0.086 0.000 1.283 234 G CA 0.191 45.363 45.100 0.121 0.000 0.944 234 G HN -0.649 8.044 8.290 0.224 -0.269 0.558 235 P HA -0.035 nan 4.420 nan 0.000 0.277 235 P C -1.978 175.293 177.300 -0.049 0.000 1.617 235 P CA 0.845 63.797 63.100 -0.246 0.000 0.829 235 P CB -1.019 30.386 31.700 -0.491 0.000 1.774 236 M N -2.355 117.243 119.600 -0.003 0.000 2.716 236 M HA 0.122 nan 4.480 nan 0.000 0.307 236 M C 0.679 177.001 176.300 0.038 0.000 1.223 236 M CA -0.421 54.906 55.300 0.044 0.000 0.871 236 M CB 3.193 35.832 32.600 0.066 0.000 1.739 236 M HN -0.420 7.789 8.290 0.000 0.081 0.475 237 G N 0.899 109.720 108.800 0.035 0.000 5.431 237 G HA2 -0.412 nan 3.960 nan 0.000 0.322 237 G HA3 -0.412 nan 3.960 nan 0.000 0.322 237 G C -0.791 174.120 174.900 0.017 0.000 1.370 237 G CA 1.118 46.236 45.100 0.030 0.000 0.963 237 G HN 0.489 8.803 8.290 0.039 0.000 0.797 238 D N 4.141 124.551 120.400 0.017 0.000 2.264 238 D HA 0.143 nan 4.640 nan 0.000 0.250 238 D C -0.241 176.012 176.300 -0.079 0.000 1.113 238 D CA -1.792 52.196 54.000 -0.021 0.000 0.871 238 D CB -0.042 40.756 40.800 -0.003 0.000 1.167 238 D HN -0.429 7.938 8.370 0.038 0.026 0.447 239 C N 2.721 121.955 119.300 -0.110 0.000 2.727 239 C HA -0.098 nan 4.460 nan 0.000 0.401 239 C C 0.873 175.696 174.990 -0.279 0.000 1.294 239 C CA 0.491 59.390 59.018 -0.197 0.000 2.134 239 C CB 0.926 28.501 27.740 -0.275 0.000 2.724 239 C HN 0.380 8.561 8.230 -0.082 0.000 0.677 240 G N 2.036 110.646 108.800 -0.317 0.000 2.529 240 G HA2 -0.006 nan 3.960 nan 0.000 0.277 240 G HA3 -0.006 nan 3.960 nan 0.000 0.277 240 G C -2.039 172.651 174.900 -0.348 0.000 1.383 240 G CA -0.340 44.581 45.100 -0.298 0.000 1.050 240 G HN 0.497 8.507 8.290 -0.297 0.101 0.526 241 L N -2.610 118.479 121.223 -0.223 0.000 4.439 241 L HA -0.077 nan 4.340 nan 0.000 0.261 241 L C -0.902 175.935 176.870 -0.055 0.000 1.052 241 L CA -0.275 54.474 54.840 -0.150 0.000 1.191 241 L CB 2.957 44.942 42.059 -0.123 0.000 1.969 241 L HN -0.166 7.968 8.230 -0.161 0.000 0.580 242 T N 6.732 121.280 114.554 -0.010 0.000 2.829 242 T HA -0.032 nan 4.350 nan 0.000 0.293 242 T C 0.407 175.115 174.700 0.014 0.000 0.970 242 T CA 2.283 64.390 62.100 0.010 0.000 1.168 242 T CB -0.261 68.622 68.868 0.026 0.000 0.911 242 T HN 0.396 8.642 8.240 0.010 0.000 0.535 243 G N 6.520 115.332 108.800 0.021 0.000 2.643 243 G HA2 -0.296 nan 3.960 nan 0.000 0.280 243 G HA3 -0.296 nan 3.960 nan 0.000 0.280 243 G C -1.312 173.598 174.900 0.017 0.000 1.120 243 G CA 0.307 45.424 45.100 0.028 0.000 1.165 243 G HN 0.106 8.523 8.290 0.022 -0.114 0.540 244 R N -1.275 119.235 120.500 0.016 0.000 3.062 244 R HA 0.029 nan 4.340 nan 0.000 0.161 244 R C -0.657 175.652 176.300 0.016 0.000 0.778 244 R CA 0.321 56.428 56.100 0.012 0.000 1.168 244 R CB 2.499 32.804 30.300 0.010 0.000 1.618 244 R HN -0.196 8.087 8.270 0.022 0.000 0.566 245 K N 2.504 122.922 120.400 0.029 0.000 2.167 245 K HA 0.043 nan 4.320 nan 0.000 0.275 245 K C 0.143 176.726 176.600 -0.027 0.000 1.103 245 K CA 0.111 56.408 56.287 0.017 0.000 0.963 245 K CB -1.577 30.951 32.500 0.045 0.000 1.243 245 K HN -0.065 8.210 8.250 0.041 0.000 0.407 246 I N -1.269 119.278 120.570 -0.039 0.000 3.081 246 I HA -0.015 nan 4.170 nan 0.000 0.274 246 I C 0.988 177.009 176.117 -0.161 0.000 1.178 246 I CA 2.462 63.712 61.300 -0.083 0.000 1.460 246 I CB 0.697 38.728 38.000 0.053 0.000 1.137 246 I HN 0.443 8.617 8.210 -0.013 0.029 0.443 247 I N -0.217 120.298 120.570 -0.091 0.000 2.193 247 I HA -0.315 nan 4.170 nan 0.000 0.240 247 I C 2.013 178.019 176.117 -0.185 0.000 1.084 247 I CA 3.297 64.510 61.300 -0.144 0.000 1.365 247 I CB -0.713 37.246 38.000 -0.068 0.000 1.064 247 I HN 0.059 8.245 8.210 -0.041 0.000 0.410 248 V N -6.456 113.373 119.914 -0.142 0.000 3.141 248 V HA -0.161 nan 4.120 nan 0.000 0.265 248 V C 0.986 177.025 176.094 -0.091 0.000 1.126 248 V CA 2.197 64.397 62.300 -0.167 0.000 1.141 248 V CB -0.974 30.750 31.823 -0.164 0.000 0.743 248 V HN -0.309 7.818 8.190 -0.105 0.000 0.492 249 D N -2.738 117.597 120.400 -0.107 0.000 2.194 249 D HA -0.094 nan 4.640 nan 0.000 0.204 249 D C 0.897 177.002 176.300 -0.325 0.000 0.964 249 D CA 3.507 57.426 54.000 -0.135 0.000 0.846 249 D CB 0.646 41.296 40.800 -0.249 0.000 0.962 249 D HN 0.444 8.622 8.370 -0.134 0.112 0.490 250 T N -4.651 109.626 114.554 -0.461 0.000 3.205 250 T HA 0.141 nan 4.350 nan 0.000 0.238 250 T C 0.365 174.784 174.700 -0.467 0.000 0.974 250 T CA 0.552 62.265 62.100 -0.644 0.000 1.246 250 T CB 1.609 69.947 68.868 -0.883 0.000 1.007 250 T HN -0.183 7.587 8.240 -0.405 0.227 0.414 251 Y N 0.399 120.607 120.300 -0.154 0.000 2.477 251 Y HA 0.123 nan 4.550 nan 0.000 0.332 251 Y C -0.615 175.157 175.900 -0.214 0.000 1.151 251 Y CA -0.572 57.475 58.100 -0.088 0.000 1.349 251 Y CB 0.672 39.109 38.460 -0.039 0.000 1.108 251 Y HN -0.519 7.665 8.280 -0.160 0.000 0.567 252 G N 3.509 112.252 108.800 -0.095 0.000 2.652 252 G HA2 -0.494 nan 3.960 nan 0.000 0.318 252 G HA3 -0.494 nan 3.960 nan 0.000 0.318 252 G C -0.480 174.292 174.900 -0.213 0.000 1.295 252 G CA 1.453 46.414 45.100 -0.232 0.000 0.999 252 G HN -0.039 8.208 8.290 -0.071 0.000 0.548 253 G N -0.535 108.102 108.800 -0.271 0.000 2.719 253 G HA2 0.131 nan 3.960 nan 0.000 0.211 253 G HA3 0.131 nan 3.960 nan 0.000 0.211 253 G C 1.120 175.892 174.900 -0.213 0.000 1.140 253 G CA 0.194 45.191 45.100 -0.171 0.000 0.790 253 G HN 0.276 8.331 8.290 -0.391 0.000 0.529 254 M N 0.135 119.490 119.600 -0.407 0.000 2.610 254 M HA -0.284 nan 4.480 nan 0.000 0.257 254 M C -0.036 175.952 176.300 -0.520 0.000 1.070 254 M CA 1.000 56.020 55.300 -0.467 0.000 1.047 254 M CB -0.815 31.403 32.600 -0.637 0.000 1.386 254 M HN -0.545 7.388 8.290 -0.518 0.046 0.493 255 A N -1.169 121.457 122.820 -0.323 0.000 2.362 255 A HA 0.086 nan 4.320 nan 0.000 0.276 255 A C -1.181 176.238 177.584 -0.275 0.000 1.153 255 A CA -0.594 51.279 52.037 -0.273 0.000 0.813 255 A CB 0.507 19.498 19.000 -0.016 0.000 1.081 255 A HN -0.406 7.524 8.150 -0.216 0.091 0.507 256 R N 4.203 124.446 120.500 -0.429 0.000 2.370 256 R HA -0.183 nan 4.340 nan 0.000 0.309 256 R C -0.885 174.985 176.300 -0.716 0.000 1.059 256 R CA 0.183 55.846 56.100 -0.727 0.000 0.981 256 R CB 0.613 30.186 30.300 -1.212 0.000 0.972 256 R HN 0.105 8.235 8.270 -0.438 -0.123 0.437 257 H N 3.074 121.909 119.070 -0.391 0.000 2.569 257 H HA 0.169 nan 4.556 nan 0.000 0.357 257 H C -0.748 174.752 175.328 0.287 0.000 1.153 257 H CA -1.713 54.334 56.048 -0.003 0.000 1.193 257 H CB 3.269 33.008 29.762 -0.037 0.000 1.602 257 H HN 0.125 8.304 8.280 -0.169 0.000 0.523 258 G N 1.939 110.937 108.800 0.331 0.000 2.425 258 G HA2 -0.066 nan 3.960 nan 0.000 0.302 258 G HA3 -0.066 nan 3.960 nan 0.000 0.302 258 G C -1.111 173.578 174.900 -0.351 0.000 1.159 258 G CA -0.564 44.569 45.100 0.056 0.000 0.865 258 G HN 0.231 8.936 8.290 0.691 0.000 0.515 259 G N -1.760 106.939 108.800 -0.167 0.000 2.265 259 G HA2 -0.197 nan 3.960 nan 0.000 0.240 259 G HA3 -0.197 nan 3.960 nan 0.000 0.240 259 G C -0.863 173.922 174.900 -0.192 0.000 1.270 259 G CA 0.711 45.713 45.100 -0.164 0.000 0.901 259 G HN 0.121 8.370 8.290 -0.069 0.000 0.507 260 G N -0.241 108.453 108.800 -0.177 0.000 2.369 260 G HA2 -0.173 nan 3.960 nan 0.000 0.307 260 G HA3 -0.173 nan 3.960 nan 0.000 0.307 260 G C -1.943 172.991 174.900 0.056 0.000 1.327 260 G CA -0.478 44.587 45.100 -0.057 0.000 0.963 260 G HN -0.477 7.700 8.290 -0.188 0.000 0.590 261 A N -0.257 122.621 122.820 0.097 0.000 2.923 261 A HA 0.323 nan 4.320 nan 0.000 0.306 261 A C -0.650 176.991 177.584 0.095 0.000 1.542 261 A CA -0.979 51.108 52.037 0.083 0.000 1.225 261 A CB -0.820 18.185 19.000 0.008 0.000 1.147 261 A HN 0.332 8.526 8.150 0.073 0.000 0.542 262 F N 2.618 122.493 119.950 -0.124 0.000 2.128 262 F HA -0.236 nan 4.527 nan 0.000 0.295 262 F C -0.518 175.233 175.800 -0.081 0.000 1.100 262 F CA 2.520 60.412 58.000 -0.181 0.000 1.260 262 F CB 0.664 39.486 39.000 -0.297 0.000 1.009 262 F HN -0.399 8.015 8.300 0.282 0.055 0.476 263 S N -3.264 112.477 115.700 0.068 0.000 2.672 263 S HA -0.015 nan 4.470 nan 0.000 0.276 263 S C 0.437 175.025 174.600 -0.021 0.000 1.207 263 S CA -0.099 58.139 58.200 0.062 0.000 1.002 263 S CB 1.101 64.359 63.200 0.097 0.000 0.998 263 S HN -0.763 7.601 8.310 0.090 0.000 0.542 264 G N 0.904 109.676 108.800 -0.046 0.000 2.179 264 G HA2 -0.495 nan 3.960 nan 0.000 0.260 264 G HA3 -0.495 nan 3.960 nan 0.000 0.260 264 G C -1.749 173.089 174.900 -0.103 0.000 0.977 264 G CA 0.493 45.557 45.100 -0.059 0.000 0.641 264 G HN 0.401 8.969 8.290 -0.048 -0.307 0.533 265 K N -0.732 119.572 120.400 -0.161 0.000 2.324 265 K HA 0.472 nan 4.320 nan 0.000 0.253 265 K C -1.662 174.776 176.600 -0.270 0.000 0.932 265 K CA -1.973 54.205 56.287 -0.182 0.000 0.799 265 K CB 2.688 35.088 32.500 -0.166 0.000 1.154 265 K HN -0.656 7.436 8.250 -0.183 0.049 0.425 266 D N 3.221 123.477 120.400 -0.240 0.000 2.382 266 D HA 0.022 nan 4.640 nan 0.000 0.240 266 D C -0.265 175.876 176.300 -0.265 0.000 1.146 266 D CA -1.629 52.203 54.000 -0.280 0.000 0.897 266 D CB 1.465 42.154 40.800 -0.185 0.000 1.197 266 D HN 0.025 8.285 8.370 -0.183 0.000 0.432 267 P HA -0.024 nan 4.420 nan 0.000 0.250 267 P C -1.089 176.110 177.300 -0.168 0.000 1.239 267 P CA 1.347 64.339 63.100 -0.181 0.000 0.756 267 P CB -0.597 31.053 31.700 -0.084 0.000 1.013 268 S N 0.120 115.729 115.700 -0.151 0.000 2.368 268 S HA -0.255 nan 4.470 nan 0.000 0.224 268 S C 0.278 174.796 174.600 -0.137 0.000 1.029 268 S CA 2.464 60.594 58.200 -0.116 0.000 0.988 268 S CB 0.335 63.500 63.200 -0.058 0.000 0.838 268 S HN -0.340 8.056 8.310 -0.147 -0.174 0.462 269 K N 2.835 123.147 120.400 -0.147 0.000 2.315 269 K HA 0.090 nan 4.320 nan 0.000 0.291 269 K C 0.771 177.270 176.600 -0.168 0.000 1.074 269 K CA -0.087 56.115 56.287 -0.141 0.000 0.936 269 K CB -0.297 32.130 32.500 -0.122 0.000 1.049 269 K HN -0.325 7.800 8.250 -0.161 0.028 0.471 270 V N 0.215 120.015 119.914 -0.190 0.000 3.241 270 V HA -0.297 nan 4.120 nan 0.000 0.269 270 V C 1.231 177.249 176.094 -0.126 0.000 1.151 270 V CA 2.094 64.250 62.300 -0.240 0.000 1.158 270 V CB -0.963 30.545 31.823 -0.524 0.000 0.764 270 V HN 0.185 8.262 8.190 -0.189 0.000 0.508 271 D N 1.967 122.320 120.400 -0.078 0.000 2.160 271 D HA -0.430 nan 4.640 nan 0.000 0.189 271 D C 1.907 178.205 176.300 -0.004 0.000 1.003 271 D CA 3.959 57.954 54.000 -0.008 0.000 0.846 271 D CB -0.565 40.230 40.800 -0.009 0.000 0.949 271 D HN 0.007 8.317 8.370 -0.088 0.007 0.446 272 R N -1.542 118.840 120.500 -0.196 0.000 2.066 272 R HA -0.107 nan 4.340 nan 0.000 0.224 272 R C 2.154 178.173 176.300 -0.469 0.000 1.122 272 R CA 2.717 58.482 56.100 -0.558 0.000 0.974 272 R CB 0.628 30.495 30.300 -0.721 0.000 0.871 272 R HN -0.123 8.024 8.270 -0.204 0.000 0.435 273 S N -0.645 114.891 115.700 -0.273 0.000 2.414 273 S HA -0.159 nan 4.470 nan 0.000 0.227 273 S C 1.699 176.278 174.600 -0.036 0.000 1.022 273 S CA 3.382 61.483 58.200 -0.166 0.000 0.958 273 S CB -0.009 63.113 63.200 -0.131 0.000 0.797 273 S HN -0.327 7.838 8.310 -0.241 0.000 0.493 274 A N 0.948 123.769 122.820 0.002 0.000 1.865 274 A HA -0.256 nan 4.320 nan 0.000 0.217 274 A C 1.249 178.948 177.584 0.192 0.000 1.191 274 A CA 3.195 55.336 52.037 0.173 0.000 0.623 274 A CB -0.802 18.392 19.000 0.323 0.000 0.826 274 A HN -0.252 7.746 8.150 -0.064 0.113 0.444 275 A N -2.696 120.256 122.820 0.219 0.000 2.119 275 A HA -0.134 nan 4.320 nan 0.000 0.217 275 A C 1.594 179.450 177.584 0.452 0.000 1.153 275 A CA 1.999 54.265 52.037 0.383 0.000 0.692 275 A CB -0.611 18.764 19.000 0.624 0.000 0.799 275 A HN -0.448 7.807 8.150 0.175 0.000 0.458 276 Y N -3.016 117.408 120.300 0.207 0.000 2.163 276 Y HA -0.282 nan 4.550 nan 0.000 0.288 276 Y C 2.207 178.118 175.900 0.018 0.000 1.136 276 Y CA 2.020 60.113 58.100 -0.011 0.000 1.147 276 Y CB -0.688 37.397 38.460 -0.626 0.000 0.987 276 Y HN 0.035 8.261 8.280 -0.089 0.000 0.509 277 A N -0.376 122.582 122.820 0.230 0.000 1.933 277 A HA -0.348 nan 4.320 nan 0.000 0.218 277 A C 1.309 179.029 177.584 0.225 0.000 1.175 277 A CA 2.823 55.015 52.037 0.259 0.000 0.628 277 A CB -1.238 17.906 19.000 0.240 0.000 0.814 277 A HN -0.347 7.843 8.150 0.197 0.078 0.444 278 A N -4.127 118.790 122.820 0.163 0.000 2.263 278 A HA -0.128 nan 4.320 nan 0.000 0.205 278 A C 0.452 178.059 177.584 0.039 0.000 1.226 278 A CA 1.417 53.516 52.037 0.104 0.000 0.810 278 A CB -1.156 17.931 19.000 0.145 0.000 0.784 278 A HN -0.141 8.114 8.150 0.186 0.006 0.486 279 R N -3.277 117.221 120.500 -0.005 0.000 2.250 279 R HA 0.022 nan 4.340 nan 0.000 0.194 279 R C 1.199 177.588 176.300 0.148 0.000 0.927 279 R CA 1.423 57.513 56.100 -0.017 0.000 1.052 279 R CB 1.266 31.445 30.300 -0.202 0.000 1.055 279 R HN 0.031 8.143 8.270 0.018 0.169 0.537 280 Y N 1.318 121.670 120.300 0.088 0.000 2.128 280 Y HA -0.404 nan 4.550 nan 0.000 0.284 280 Y C 1.757 177.665 175.900 0.014 0.000 1.154 280 Y CA 3.241 61.421 58.100 0.134 0.000 1.149 280 Y CB -0.098 38.494 38.460 0.219 0.000 0.976 280 Y HN -0.192 8.195 8.280 0.341 0.098 0.505 281 V N -4.951 114.897 119.914 -0.110 0.000 2.358 281 V HA -0.442 nan 4.120 nan 0.000 0.246 281 V C 1.701 177.644 176.094 -0.252 0.000 1.047 281 V CA 3.304 65.338 62.300 -0.442 0.000 1.035 281 V CB -1.976 29.572 31.823 -0.458 0.000 0.658 281 V HN 0.115 8.347 8.190 0.070 0.000 0.452 282 A N 0.011 122.762 122.820 -0.115 0.000 1.840 282 A HA -0.302 nan 4.320 nan 0.000 0.214 282 A C 1.583 179.115 177.584 -0.086 0.000 1.198 282 A CA 3.158 55.138 52.037 -0.095 0.000 0.608 282 A CB -0.600 18.353 19.000 -0.079 0.000 0.839 282 A HN -0.178 7.843 8.150 -0.061 0.093 0.443 283 K N -1.278 119.101 120.400 -0.035 0.000 2.020 283 K HA -0.448 nan 4.320 nan 0.000 0.212 283 K C 2.112 178.698 176.600 -0.024 0.000 1.050 283 K CA 3.704 59.986 56.287 -0.008 0.000 0.929 283 K CB -0.162 32.377 32.500 0.065 0.000 0.714 283 K HN 0.033 8.176 8.250 -0.002 0.106 0.443 284 N N -0.946 117.731 118.700 -0.039 0.000 2.043 284 N HA -0.301 nan 4.740 nan 0.000 0.193 284 N C 2.197 177.692 175.510 -0.026 0.000 1.037 284 N CA 3.367 56.393 53.050 -0.040 0.000 0.851 284 N CB 0.047 38.479 38.487 -0.091 0.000 1.027 284 N HN -0.745 7.607 8.380 -0.047 0.000 0.422 285 I N -1.150 119.384 120.570 -0.061 0.000 2.700 285 I HA -0.410 nan 4.170 nan 0.000 0.261 285 I C 0.931 177.030 176.117 -0.031 0.000 1.219 285 I CA 3.395 64.675 61.300 -0.033 0.000 1.463 285 I CB -0.181 37.783 38.000 -0.060 0.000 1.092 285 I HN 0.001 7.973 8.210 -0.113 0.170 0.452 286 V N -0.673 119.212 119.914 -0.048 0.000 2.374 286 V HA -0.313 nan 4.120 nan 0.000 0.241 286 V C 1.690 177.771 176.094 -0.022 0.000 1.034 286 V CA 3.851 66.123 62.300 -0.047 0.000 1.037 286 V CB -0.641 31.136 31.823 -0.076 0.000 0.682 286 V HN -0.101 7.920 8.190 -0.059 0.133 0.463 287 A N -0.386 122.424 122.820 -0.016 0.000 1.948 287 A HA -0.269 nan 4.320 nan 0.000 0.220 287 A C 1.781 179.367 177.584 0.003 0.000 1.177 287 A CA 2.966 55.001 52.037 -0.004 0.000 0.636 287 A CB -0.603 18.400 19.000 0.005 0.000 0.815 287 A HN 0.376 8.299 8.150 -0.020 0.215 0.449 288 A N -3.359 119.466 122.820 0.009 0.000 2.728 288 A HA -0.020 nan 4.320 nan 0.000 0.258 288 A C 0.149 177.743 177.584 0.017 0.000 1.454 288 A CA -1.039 51.007 52.037 0.015 0.000 1.146 288 A CB -1.563 17.453 19.000 0.026 0.000 0.985 288 A HN -0.199 7.940 8.150 0.009 0.017 0.603 289 G N -1.148 107.658 108.800 0.010 0.000 2.238 289 G HA2 -0.397 nan 3.960 nan 0.000 0.270 289 G HA3 -0.397 nan 3.960 nan 0.000 0.270 289 G C 0.301 175.210 174.900 0.015 0.000 0.977 289 G CA 1.830 46.937 45.100 0.011 0.000 0.639 289 G HN -0.004 8.206 8.290 0.005 0.082 0.544 290 L N -1.265 119.970 121.223 0.019 0.000 2.418 290 L HA 0.079 nan 4.340 nan 0.000 0.218 290 L C -0.913 175.969 176.870 0.020 0.000 1.125 290 L CA 0.727 55.582 54.840 0.026 0.000 0.835 290 L CB -0.049 42.034 42.059 0.039 0.000 0.953 290 L HN -0.495 7.678 8.230 0.019 0.068 0.454 291 A N -2.344 120.482 122.820 0.010 0.000 2.525 291 A HA 0.207 nan 4.320 nan 0.000 0.291 291 A C -1.923 175.656 177.584 -0.008 0.000 1.268 291 A CA -0.158 51.883 52.037 0.007 0.000 0.712 291 A CB 2.217 21.221 19.000 0.008 0.000 1.320 291 A HN -0.884 7.238 8.150 0.004 0.030 0.456 292 D N -2.383 118.008 120.400 -0.016 0.000 2.539 292 D HA 0.173 nan 4.640 nan 0.000 0.232 292 D C -1.879 174.356 176.300 -0.109 0.000 1.256 292 D CA 0.050 54.023 54.000 -0.045 0.000 0.810 292 D CB 2.029 42.818 40.800 -0.019 0.000 1.090 292 D HN 0.080 8.450 8.370 -0.000 0.000 0.519 293 R N -4.364 116.055 120.500 -0.136 0.000 3.033 293 R HA 0.197 nan 4.340 nan 0.000 0.236 293 R C -2.055 174.105 176.300 -0.233 0.000 1.774 293 R CA -1.160 54.756 56.100 -0.307 0.000 1.401 293 R CB -0.204 29.902 30.300 -0.322 0.000 1.539 293 R HN -0.453 7.776 8.270 -0.068 0.000 0.618 294 C N 2.994 122.173 119.300 -0.202 0.000 2.595 294 C HA 0.224 nan 4.460 nan 0.000 0.384 294 C C -1.235 173.795 174.990 0.067 0.000 1.289 294 C CA -1.385 57.618 59.018 -0.025 0.000 2.372 294 C CB 0.554 28.271 27.740 -0.038 0.000 2.593 294 C HN 0.430 8.496 8.230 -0.273 0.000 0.639 295 E N 4.008 124.369 120.200 0.269 0.000 2.302 295 E HA 0.436 nan 4.350 nan 0.000 0.263 295 E C -1.623 175.111 176.600 0.224 0.000 0.897 295 E CA -1.749 54.814 56.400 0.271 0.000 0.809 295 E CB 1.914 31.844 29.700 0.384 0.000 1.270 295 E HN -0.133 8.416 8.360 0.314 0.000 0.410 296 I N 5.077 125.742 120.570 0.158 0.000 2.365 296 I HA 0.363 nan 4.170 nan 0.000 0.291 296 I C -2.463 173.760 176.117 0.177 0.000 1.004 296 I CA -1.862 59.507 61.300 0.115 0.000 1.311 296 I CB 2.032 40.047 38.000 0.026 0.000 1.401 296 I HN 0.215 8.509 8.210 0.140 0.000 0.491 297 Q N 7.906 127.779 119.800 0.122 0.000 2.293 297 Q HA 0.493 nan 4.340 nan 0.000 0.251 297 Q C -1.490 174.430 176.000 -0.133 0.000 0.930 297 Q CA -0.626 55.128 55.803 -0.081 0.000 0.893 297 Q CB 1.464 30.112 28.738 -0.150 0.000 1.215 297 Q HN 0.387 8.623 8.270 0.114 0.102 0.425 298 V N 4.458 124.256 119.914 -0.193 0.000 3.001 298 V HA 0.602 nan 4.120 nan 0.000 0.314 298 V C -1.898 174.039 176.094 -0.263 0.000 1.099 298 V CA -2.580 59.593 62.300 -0.213 0.000 0.989 298 V CB 3.315 35.048 31.823 -0.150 0.000 1.040 298 V HN 1.040 8.986 8.190 -0.226 0.109 0.434 299 S N 0.119 115.617 115.700 -0.337 0.000 2.651 299 S HA 0.815 nan 4.470 nan 0.000 0.279 299 S C -1.400 172.987 174.600 -0.356 0.000 1.148 299 S CA -1.486 56.584 58.200 -0.217 0.000 0.837 299 S CB 3.509 66.606 63.200 -0.173 0.000 1.138 299 S HN -0.143 7.886 8.310 -0.468 0.000 0.478 300 Y N -2.234 118.044 120.300 -0.036 0.000 2.625 300 Y HA 0.163 nan 4.550 nan 0.000 0.338 300 Y C -1.971 173.919 175.900 -0.018 0.000 1.123 300 Y CA -0.204 57.886 58.100 -0.018 0.000 1.046 300 Y CB 5.143 43.599 38.460 -0.007 0.000 1.299 300 Y HN -0.118 8.223 8.280 0.101 0.000 0.464 301 A N -0.819 122.084 122.820 0.138 0.000 2.356 301 A HA 0.468 nan 4.320 nan 0.000 0.323 301 A C -1.823 175.808 177.584 0.078 0.000 1.119 301 A CA -2.322 49.763 52.037 0.080 0.000 0.790 301 A CB 2.617 21.641 19.000 0.039 0.000 1.273 301 A HN 0.595 8.842 8.150 0.162 0.000 0.452 302 I N -0.419 120.178 120.570 0.046 0.000 2.496 302 I HA -0.093 nan 4.170 nan 0.000 0.285 302 I C -0.014 176.117 176.117 0.025 0.000 1.080 302 I CA 0.477 61.795 61.300 0.029 0.000 1.404 302 I CB 0.088 38.096 38.000 0.013 0.000 1.403 302 I HN -0.005 8.226 8.210 0.036 0.000 0.539 303 G N 7.377 116.191 108.800 0.022 0.000 2.137 303 G HA2 -0.399 nan 3.960 nan 0.000 0.237 303 G HA3 -0.399 nan 3.960 nan 0.000 0.237 303 G C -1.733 173.185 174.900 0.030 0.000 1.002 303 G CA -0.077 45.034 45.100 0.019 0.000 0.702 303 G HN 0.173 8.475 8.290 0.019 0.000 0.515 304 V N -1.691 118.254 119.914 0.051 0.000 2.851 304 V HA 0.251 nan 4.120 nan 0.000 0.307 304 V C -1.373 174.786 176.094 0.108 0.000 1.129 304 V CA -1.187 61.151 62.300 0.063 0.000 0.932 304 V CB 2.462 34.314 31.823 0.049 0.000 1.024 304 V HN -0.458 7.726 8.190 0.061 0.043 0.426 305 A N 6.521 129.398 122.820 0.094 0.000 1.874 305 A HA 0.013 nan 4.320 nan 0.000 0.214 305 A C -0.789 176.882 177.584 0.145 0.000 1.189 305 A CA 2.161 54.273 52.037 0.126 0.000 0.615 305 A CB 0.042 19.095 19.000 0.088 0.000 0.830 305 A HN 0.220 8.409 8.150 0.066 0.000 0.443 306 E N -1.790 118.461 120.200 0.085 0.000 2.299 306 E HA 0.316 nan 4.350 nan 0.000 0.272 306 E C -1.718 174.897 176.600 0.025 0.000 1.043 306 E CA -3.055 53.375 56.400 0.051 0.000 0.895 306 E CB 0.355 30.072 29.700 0.029 0.000 1.011 306 E HN -0.051 8.350 8.360 0.068 0.000 0.432 307 P HA 0.158 nan 4.420 nan 0.000 0.273 307 P C -0.800 176.418 177.300 -0.137 0.000 1.250 307 P CA -0.403 62.577 63.100 -0.200 0.000 0.793 307 P CB 0.677 32.112 31.700 -0.443 0.000 1.011 308 T N -5.588 108.875 114.554 -0.151 0.000 3.037 308 T HA 0.134 nan 4.350 nan 0.000 0.252 308 T C 0.268 174.909 174.700 -0.098 0.000 1.073 308 T CA 0.151 62.197 62.100 -0.090 0.000 1.091 308 T CB 0.517 69.352 68.868 -0.054 0.000 0.935 308 T HN 0.002 8.115 8.240 -0.211 0.000 0.488 309 S N 1.553 117.169 115.700 -0.140 0.000 2.582 309 S HA 0.282 nan 4.470 nan 0.000 0.287 309 S C -2.059 172.459 174.600 -0.138 0.000 1.146 309 S CA 0.144 58.275 58.200 -0.116 0.000 0.941 309 S CB 2.860 66.002 63.200 -0.096 0.000 1.115 309 S HN 0.141 8.334 8.310 -0.195 0.000 0.458 310 I N 0.687 121.196 120.570 -0.102 0.000 2.534 310 I HA 0.710 nan 4.170 nan 0.000 0.288 310 I C -2.174 173.913 176.117 -0.051 0.000 1.077 310 I CA -1.252 59.993 61.300 -0.092 0.000 1.051 310 I CB 2.754 40.700 38.000 -0.090 0.000 1.234 310 I HN 0.159 8.322 8.210 -0.079 0.000 0.425 311 M N 6.423 126.007 119.600 -0.027 0.000 2.224 311 M HA 0.324 nan 4.480 nan 0.000 0.281 311 M C -2.685 173.636 176.300 0.035 0.000 1.025 311 M CA -0.345 54.956 55.300 0.003 0.000 0.954 311 M CB 3.440 36.046 32.600 0.010 0.000 1.639 311 M HN -0.169 8.104 8.290 -0.029 0.000 0.461 312 V N 7.026 126.957 119.914 0.028 0.000 2.275 312 V HA 0.468 nan 4.120 nan 0.000 0.272 312 V C -1.636 174.497 176.094 0.064 0.000 1.028 312 V CA -2.566 59.764 62.300 0.051 0.000 0.810 312 V CB 0.179 32.015 31.823 0.021 0.000 1.043 312 V HN 0.371 8.569 8.190 0.013 0.000 0.453 313 E N 9.286 129.544 120.200 0.096 0.000 2.410 313 E HA 0.076 nan 4.350 nan 0.000 0.255 313 E C -1.432 175.278 176.600 0.183 0.000 1.194 313 E CA 0.641 57.088 56.400 0.077 0.000 0.955 313 E CB 2.195 31.871 29.700 -0.040 0.000 0.988 313 E HN -0.414 8.024 8.360 0.130 0.000 0.461 314 T N -2.054 112.617 114.554 0.194 0.000 3.335 314 T HA 0.268 nan 4.350 nan 0.000 0.321 314 T C -0.194 174.685 174.700 0.298 0.000 0.960 314 T CA -1.066 61.173 62.100 0.232 0.000 1.034 314 T CB 0.977 69.910 68.868 0.107 0.000 1.040 314 T HN 0.185 8.480 8.240 0.092 0.000 0.454 315 F N 6.742 126.716 119.950 0.039 0.000 2.626 315 F HA 0.115 nan 4.527 nan 0.000 0.353 315 F C 0.103 175.924 175.800 0.035 0.000 1.230 315 F CA -2.707 55.319 58.000 0.044 0.000 1.298 315 F CB -2.235 36.806 39.000 0.068 0.000 1.670 315 F HN 0.046 8.709 8.300 0.605 0.000 0.633 316 G N 1.938 110.850 108.800 0.187 0.000 2.593 316 G HA2 -0.389 nan 3.960 nan 0.000 0.237 316 G HA3 -0.389 nan 3.960 nan 0.000 0.237 316 G C -1.493 173.465 174.900 0.096 0.000 1.312 316 G CA -0.362 44.804 45.100 0.109 0.000 0.896 316 G HN -0.303 8.036 8.290 0.162 0.048 0.574 317 T N -3.859 110.735 114.554 0.067 0.000 4.131 317 T HA -0.235 nan 4.350 nan 0.000 0.347 317 T C -1.658 173.069 174.700 0.045 0.000 0.755 317 T CA 0.929 63.060 62.100 0.052 0.000 1.936 317 T CB -0.958 67.942 68.868 0.054 0.000 1.861 317 T HN -0.131 8.144 8.240 0.059 0.000 0.863 318 E N -1.550 118.676 120.200 0.042 0.000 2.092 318 E HA 0.339 nan 4.350 nan 0.000 0.271 318 E C -1.120 175.498 176.600 0.029 0.000 0.919 318 E CA -2.006 54.415 56.400 0.036 0.000 0.760 318 E CB 0.819 30.541 29.700 0.038 0.000 1.106 318 E HN -0.283 8.101 8.360 0.041 0.000 0.408 319 K N 4.954 125.370 120.400 0.026 0.000 2.745 319 K HA 0.046 nan 4.320 nan 0.000 0.223 319 K C -1.723 174.892 176.600 0.025 0.000 1.057 319 K CA -0.333 55.968 56.287 0.024 0.000 1.217 319 K CB -0.987 31.527 32.500 0.023 0.000 0.993 319 K HN 0.781 8.928 8.250 0.026 0.119 0.478 320 V N -7.455 112.473 119.914 0.025 0.000 3.036 320 V HA 0.318 nan 4.120 nan 0.000 0.288 320 V C -2.555 173.551 176.094 0.020 0.000 1.407 320 V CA -3.212 59.102 62.300 0.023 0.000 0.983 320 V CB 1.081 32.920 31.823 0.027 0.000 1.128 320 V HN -0.804 7.291 8.190 0.025 0.110 0.439 321 P HA -0.055 nan 4.420 nan 0.000 0.210 321 P C -0.923 176.384 177.300 0.012 0.000 1.189 321 P CA 2.166 65.274 63.100 0.013 0.000 0.920 321 P CB 0.922 32.628 31.700 0.010 0.000 0.782 322 S N -5.332 110.373 115.700 0.009 0.000 5.323 322 S HA -0.039 nan 4.470 nan 0.000 0.152 322 S C 0.813 175.414 174.600 0.002 0.000 1.116 322 S CA 0.481 58.685 58.200 0.008 0.000 1.363 322 S CB -0.149 63.054 63.200 0.006 0.000 1.891 322 S HN -0.465 7.849 8.310 0.007 0.000 0.543 323 E N 1.530 121.728 120.200 -0.002 0.000 2.409 323 E HA -0.085 nan 4.350 nan 0.000 0.198 323 E C 1.471 178.064 176.600 -0.012 0.000 1.024 323 E CA 1.799 58.194 56.400 -0.008 0.000 0.861 323 E CB -0.516 29.179 29.700 -0.009 0.000 0.788 323 E HN 0.239 8.598 8.360 -0.001 0.000 0.521 324 Q N -0.382 119.414 119.800 -0.007 0.000 2.014 324 Q HA -0.237 nan 4.340 nan 0.000 0.207 324 Q C 2.116 178.108 176.000 -0.015 0.000 0.993 324 Q CA 2.744 58.542 55.803 -0.008 0.000 0.850 324 Q CB -1.075 27.665 28.738 0.003 0.000 0.916 324 Q HN 0.062 8.318 8.270 -0.002 0.012 0.417 325 L N -4.645 116.576 121.223 -0.003 0.000 2.156 325 L HA 0.061 nan 4.340 nan 0.000 0.208 325 L C 1.686 178.545 176.870 -0.018 0.000 1.095 325 L CA 3.123 57.964 54.840 0.001 0.000 0.770 325 L CB -1.286 40.788 42.059 0.024 0.000 0.914 325 L HN 0.177 8.408 8.230 0.003 0.000 0.439 326 T N 0.662 115.205 114.554 -0.018 0.000 3.284 326 T HA -0.179 nan 4.350 nan 0.000 0.252 326 T C 0.205 174.882 174.700 -0.037 0.000 1.144 326 T CA 3.062 65.147 62.100 -0.025 0.000 1.021 326 T CB -0.921 67.937 68.868 -0.016 0.000 0.984 326 T HN -0.557 7.676 8.240 -0.010 0.000 0.545 327 L N -1.075 120.117 121.223 -0.052 0.000 2.362 327 L HA 0.225 nan 4.340 nan 0.000 0.204 327 L C 0.592 177.379 176.870 -0.138 0.000 1.060 327 L CA 0.921 55.717 54.840 -0.073 0.000 0.827 327 L CB 1.419 43.440 42.059 -0.062 0.000 1.027 327 L HN -0.613 7.406 8.230 -0.045 0.183 0.474 328 L N -0.058 121.063 121.223 -0.171 0.000 2.042 328 L HA -0.403 nan 4.340 nan 0.000 0.210 328 L C 1.545 178.134 176.870 -0.468 0.000 1.076 328 L CA 3.602 58.213 54.840 -0.383 0.000 0.749 328 L CB -0.221 41.727 42.059 -0.185 0.000 0.893 328 L HN -0.453 7.623 8.230 -0.105 0.091 0.432 329 V N -0.994 118.866 119.914 -0.089 0.000 2.295 329 V HA -0.512 nan 4.120 nan 0.000 0.246 329 V C 2.407 178.558 176.094 0.095 0.000 1.049 329 V CA 4.352 66.737 62.300 0.142 0.000 1.024 329 V CB -1.225 30.614 31.823 0.027 0.000 0.648 329 V HN 0.492 8.633 8.190 -0.065 0.010 0.447 330 R N -3.058 117.431 120.500 -0.018 0.000 2.152 330 R HA -0.380 nan 4.340 nan 0.000 0.232 330 R C 2.543 178.821 176.300 -0.038 0.000 1.117 330 R CA 3.213 59.309 56.100 -0.008 0.000 0.981 330 R CB -0.873 29.411 30.300 -0.027 0.000 0.870 330 R HN 0.046 8.196 8.270 -0.052 0.089 0.451 331 E N -1.242 118.852 120.200 -0.176 0.000 2.076 331 E HA -0.133 nan 4.350 nan 0.000 0.190 331 E C 1.158 177.668 176.600 -0.150 0.000 0.979 331 E CA 2.525 58.783 56.400 -0.237 0.000 0.807 331 E CB 0.840 30.277 29.700 -0.438 0.000 0.761 331 E HN 0.097 8.057 8.360 -0.251 0.249 0.454 332 F N -6.944 113.031 119.950 0.041 0.000 2.677 332 F HA 0.357 nan 4.527 nan 0.000 0.388 332 F C -1.649 173.932 175.800 -0.366 0.000 1.400 332 F CA -3.125 54.788 58.000 -0.145 0.000 1.162 332 F CB -0.400 38.456 39.000 -0.240 0.000 1.135 332 F HN -0.459 7.538 8.300 -0.351 0.092 0.516 333 F N 0.187 120.286 119.950 0.248 0.000 3.167 333 F HA 0.069 nan 4.527 nan 0.000 0.389 333 F C -2.127 173.775 175.800 0.169 0.000 1.233 333 F CA -0.439 57.699 58.000 0.230 0.000 1.238 333 F CB 2.115 41.239 39.000 0.207 0.000 1.971 333 F HN -0.531 7.962 8.300 0.322 0.000 0.651 334 D N 2.972 123.550 120.400 0.298 0.000 2.422 334 D HA -0.113 nan 4.640 nan 0.000 0.263 334 D C -0.662 175.772 176.300 0.222 0.000 1.334 334 D CA 1.222 55.349 54.000 0.212 0.000 1.105 334 D CB -0.376 40.527 40.800 0.170 0.000 1.107 334 D HN 0.155 8.692 8.370 0.278 0.000 0.522 335 L N 1.251 122.594 121.223 0.200 0.000 2.675 335 L HA -0.150 nan 4.340 nan 0.000 0.238 335 L C 0.067 177.113 176.870 0.293 0.000 1.155 335 L CA -0.117 54.853 54.840 0.217 0.000 0.881 335 L CB -0.186 41.941 42.059 0.113 0.000 1.008 335 L HN -0.353 7.979 8.230 0.170 0.000 0.443 336 R N -0.219 120.422 120.500 0.236 0.000 2.489 336 R HA 0.002 nan 4.340 nan 0.000 0.287 336 R C -1.534 174.919 176.300 0.255 0.000 1.053 336 R CA -2.010 54.236 56.100 0.243 0.000 1.036 336 R CB -2.264 28.132 30.300 0.160 0.000 0.966 336 R HN -0.909 7.502 8.270 0.198 -0.023 0.432 337 P HA -0.306 nan 4.420 nan 0.000 0.213 337 P C 0.572 177.928 177.300 0.094 0.000 1.176 337 P CA 2.925 66.047 63.100 0.036 0.000 0.919 337 P CB 0.061 31.717 31.700 -0.073 0.000 0.791 338 Y N -3.426 116.875 120.300 0.003 0.000 2.574 338 Y HA -0.258 nan 4.550 nan 0.000 0.294 338 Y C 1.475 177.397 175.900 0.036 0.000 1.142 338 Y CA 1.966 60.070 58.100 0.007 0.000 1.314 338 Y CB -0.209 38.254 38.460 0.005 0.000 0.991 338 Y HN 0.045 8.473 8.280 0.247 0.000 0.555 339 G N -0.087 108.841 108.800 0.213 0.000 2.433 339 G HA2 -0.390 nan 3.960 nan 0.000 0.216 339 G HA3 -0.390 nan 3.960 nan 0.000 0.216 339 G C 1.046 176.018 174.900 0.120 0.000 1.186 339 G CA 1.936 47.139 45.100 0.171 0.000 0.779 339 G HN -0.343 7.901 8.290 0.208 0.171 0.543 340 L N 1.728 123.019 121.223 0.114 0.000 2.021 340 L HA -0.377 nan 4.340 nan 0.000 0.215 340 L C 2.385 179.267 176.870 0.020 0.000 1.074 340 L CA 2.432 57.330 54.840 0.096 0.000 0.760 340 L CB -1.137 40.984 42.059 0.103 0.000 0.889 340 L HN -0.608 7.703 8.230 0.134 0.000 0.433 341 I N -2.123 118.398 120.570 -0.082 0.000 2.074 341 I HA -0.653 nan 4.170 nan 0.000 0.238 341 I C 2.262 178.317 176.117 -0.104 0.000 1.037 341 I CA 4.202 65.386 61.300 -0.194 0.000 1.301 341 I CB -0.700 36.952 38.000 -0.579 0.000 1.016 341 I HN -0.685 7.470 8.210 -0.091 0.000 0.400 342 Q N -2.613 117.148 119.800 -0.065 0.000 2.167 342 Q HA -0.308 nan 4.340 nan 0.000 0.202 342 Q C 3.124 179.144 176.000 0.033 0.000 0.970 342 Q CA 2.540 58.349 55.803 0.010 0.000 0.855 342 Q CB -0.216 28.565 28.738 0.072 0.000 0.911 342 Q HN -0.448 7.785 8.270 -0.062 0.000 0.438 343 M N 0.501 120.130 119.600 0.049 0.000 2.175 343 M HA -0.276 nan 4.480 nan 0.000 0.264 343 M C 0.670 176.956 176.300 -0.023 0.000 1.063 343 M CA 3.359 58.694 55.300 0.058 0.000 1.119 343 M CB 0.477 33.158 32.600 0.135 0.000 1.377 343 M HN -0.253 7.951 8.290 0.054 0.118 0.415 344 L N -4.319 116.891 121.223 -0.022 0.000 2.818 344 L HA 0.124 nan 4.340 nan 0.000 0.243 344 L C -0.868 176.020 176.870 0.030 0.000 1.185 344 L CA -1.487 53.329 54.840 -0.041 0.000 0.988 344 L CB -0.485 41.589 42.059 0.024 0.000 1.292 344 L HN -0.237 7.864 8.230 0.004 0.132 0.519 345 D N -1.042 119.374 120.400 0.027 0.000 2.713 345 D HA -0.345 nan 4.640 nan 0.000 0.231 345 D C 0.649 176.999 176.300 0.083 0.000 1.173 345 D CA 1.346 55.385 54.000 0.064 0.000 0.628 345 D CB -0.571 40.276 40.800 0.079 0.000 1.033 345 D HN -0.565 7.728 8.370 0.012 0.084 0.419 346 L N -3.232 118.024 121.223 0.055 0.000 2.217 346 L HA -0.196 nan 4.340 nan 0.000 0.211 346 L C 0.997 177.885 176.870 0.031 0.000 1.107 346 L CA 1.850 56.759 54.840 0.115 0.000 0.783 346 L CB 0.121 42.253 42.059 0.122 0.000 0.919 346 L HN -0.764 7.466 8.230 0.027 0.016 0.442 347 L N -1.310 119.813 121.223 -0.166 0.000 2.869 347 L HA -0.133 nan 4.340 nan 0.000 0.240 347 L C -0.828 175.632 176.870 -0.682 0.000 1.448 347 L CA 0.091 54.753 54.840 -0.296 0.000 1.158 347 L CB -2.573 39.310 42.059 -0.292 0.000 1.497 347 L HN -0.390 7.740 8.230 -0.166 0.000 0.447 348 H N -0.183 118.965 119.070 0.129 0.000 2.851 348 H HA 0.302 nan 4.556 nan 0.000 0.372 348 H C -2.214 173.210 175.328 0.160 0.000 1.158 348 H CA -2.916 53.188 56.048 0.092 0.000 1.159 348 H CB 2.398 32.175 29.762 0.023 0.000 1.757 348 H HN -0.036 8.210 8.280 0.048 0.063 0.546 349 P HA -0.176 nan 4.420 nan 0.000 0.262 349 P C -1.642 175.713 177.300 0.091 0.000 1.182 349 P CA 1.467 64.685 63.100 0.197 0.000 0.761 349 P CB 0.515 32.294 31.700 0.131 0.000 0.795 350 I N -1.744 118.821 120.570 -0.009 0.000 4.860 350 I HA -0.109 nan 4.170 nan 0.000 0.303 350 I C 1.369 177.298 176.117 -0.312 0.000 1.096 350 I CA 1.072 62.217 61.300 -0.260 0.000 1.475 350 I CB 1.269 38.908 38.000 -0.601 0.000 1.954 350 I HN -0.265 8.390 8.210 0.098 -0.387 0.551 351 Y N -0.214 120.026 120.300 -0.100 0.000 2.403 351 Y HA -0.402 nan 4.550 nan 0.000 0.291 351 Y C 1.528 177.342 175.900 -0.143 0.000 1.143 351 Y CA 3.717 61.730 58.100 -0.145 0.000 1.257 351 Y CB -0.882 37.539 38.460 -0.066 0.000 0.984 351 Y HN -0.260 8.123 8.280 0.052 -0.071 0.550 352 K N 0.192 120.611 120.400 0.032 0.000 2.283 352 K HA -0.283 nan 4.320 nan 0.000 0.202 352 K C 2.091 178.668 176.600 -0.038 0.000 1.048 352 K CA 2.337 58.632 56.287 0.014 0.000 0.948 352 K CB -0.828 31.689 32.500 0.028 0.000 0.742 352 K HN -0.537 7.920 8.250 0.033 -0.187 0.458 353 E N -0.784 119.376 120.200 -0.067 0.000 2.265 353 E HA -0.331 nan 4.350 nan 0.000 0.196 353 E C 1.323 177.848 176.600 -0.124 0.000 0.996 353 E CA 2.620 59.001 56.400 -0.032 0.000 0.832 353 E CB -0.385 29.375 29.700 0.099 0.000 0.756 353 E HN -0.499 7.787 8.360 -0.077 0.027 0.491 354 T N -0.399 113.966 114.554 -0.316 0.000 2.746 354 T HA -0.208 nan 4.350 nan 0.000 0.267 354 T C 1.841 176.311 174.700 -0.382 0.000 1.039 354 T CA 3.783 65.567 62.100 -0.526 0.000 1.142 354 T CB -0.276 68.256 68.868 -0.560 0.000 0.866 354 T HN 0.126 8.021 8.240 -0.302 0.164 0.444 355 A N 0.366 123.118 122.820 -0.113 0.000 2.015 355 A HA -0.116 nan 4.320 nan 0.000 0.219 355 A C 0.591 178.182 177.584 0.013 0.000 1.163 355 A CA 2.277 54.360 52.037 0.077 0.000 0.646 355 A CB -0.716 18.308 19.000 0.041 0.000 0.806 355 A HN -0.581 7.510 8.150 -0.098 0.000 0.448 356 A N -0.464 122.268 122.820 -0.147 0.000 1.824 356 A HA -0.102 nan 4.320 nan 0.000 0.215 356 A C 0.255 177.594 177.584 -0.408 0.000 1.209 356 A CA 2.319 54.086 52.037 -0.449 0.000 0.614 356 A CB 0.270 19.020 19.000 -0.417 0.000 0.852 356 A HN -0.371 7.678 8.150 -0.129 0.023 0.447 357 Y N -2.954 117.332 120.300 -0.022 0.000 2.624 357 Y HA 0.048 nan 4.550 nan 0.000 0.302 357 Y C -1.151 174.345 175.900 -0.672 0.000 0.939 357 Y CA -1.447 56.493 58.100 -0.267 0.000 1.116 357 Y CB 0.649 38.973 38.460 -0.228 0.000 1.173 357 Y HN -0.634 7.648 8.280 0.003 0.000 0.631 358 G N -1.008 107.762 108.800 -0.050 0.000 2.697 358 G HA2 -0.269 nan 3.960 nan 0.000 0.686 358 G HA3 -0.269 nan 3.960 nan 0.000 0.686 358 G C -1.674 173.398 174.900 0.285 0.000 1.179 358 G CA -0.223 44.978 45.100 0.169 0.000 0.765 358 G HN -0.374 8.037 8.290 0.201 0.000 0.649 359 H N -0.183 118.892 119.070 0.009 0.000 2.406 359 H HA 0.135 nan 4.556 nan 0.000 0.304 359 H C 0.626 176.288 175.328 0.556 0.000 1.042 359 H CA 1.542 57.697 56.048 0.179 0.000 1.360 359 H CB 2.016 31.850 29.762 0.121 0.000 1.448 359 H HN -0.265 8.072 8.280 0.096 0.000 0.553 360 F N -4.469 115.862 119.950 0.635 0.000 2.399 360 F HA -0.011 nan 4.527 nan 0.000 0.334 360 F C -0.691 175.299 175.800 0.316 0.000 1.097 360 F CA -0.813 57.512 58.000 0.542 0.000 1.076 360 F CB 0.217 39.471 39.000 0.422 0.000 1.162 360 F HN -0.325 7.792 8.300 -0.306 0.000 0.495 361 G N 0.558 109.581 108.800 0.372 0.000 4.426 361 G HA2 -0.045 nan 3.960 nan 0.000 0.182 361 G HA3 -0.045 nan 3.960 nan 0.000 0.182 361 G C -1.588 173.361 174.900 0.082 0.000 1.373 361 G CA 0.553 45.778 45.100 0.208 0.000 0.879 361 G HN 0.145 8.904 8.290 0.349 -0.260 0.294 362 R N 1.811 122.295 120.500 -0.027 0.000 2.491 362 R HA -0.068 nan 4.340 nan 0.000 0.283 362 R C -0.076 176.122 176.300 -0.169 0.000 1.072 362 R CA 0.192 56.215 56.100 -0.128 0.000 1.048 362 R CB 0.125 30.282 30.300 -0.238 0.000 0.983 362 R HN -0.169 8.098 8.270 -0.005 0.000 0.450 363 E N 5.973 126.135 120.200 -0.063 0.000 1.795 363 E HA -0.161 nan 4.350 nan 0.000 0.261 363 E C -0.825 175.749 176.600 -0.043 0.000 1.238 363 E CA 0.860 57.219 56.400 -0.067 0.000 1.001 363 E CB -1.197 28.480 29.700 -0.039 0.000 1.065 363 E HN 0.522 8.863 8.360 -0.031 0.000 0.418 364 H N -0.420 118.338 119.070 -0.520 0.000 1.719 364 H HA 0.170 nan 4.556 nan 0.000 0.154 364 H C 0.161 175.212 175.328 -0.462 0.000 1.014 364 H CA -0.142 55.610 56.048 -0.493 0.000 1.028 364 H CB 0.617 30.105 29.762 -0.457 0.000 0.866 364 H HN 0.144 8.102 8.280 -0.471 0.039 0.314 365 F N 1.629 121.275 119.950 -0.506 0.000 2.602 365 F HA 0.159 nan 4.527 nan 0.000 0.367 365 F C -0.376 174.950 175.800 -0.790 0.000 1.126 365 F CA -3.345 54.082 58.000 -0.954 0.000 1.321 365 F CB -1.457 36.428 39.000 -1.858 0.000 1.094 365 F HN -0.388 7.041 8.300 -1.451 0.000 0.594 366 P HA -0.201 nan 4.420 nan 0.000 0.222 366 P C 0.139 177.460 177.300 0.036 0.000 1.142 366 P CA 1.537 64.545 63.100 -0.153 0.000 0.788 366 P CB -0.202 31.436 31.700 -0.104 0.000 0.767 367 W N -5.021 116.299 121.300 0.034 0.000 3.316 367 W HA 0.060 nan 4.660 nan 0.000 0.258 367 W C -0.651 175.985 176.519 0.194 0.000 1.330 367 W CA -0.231 57.184 57.345 0.118 0.000 1.595 367 W CB -1.737 27.810 29.460 0.145 0.000 1.088 367 W HN -0.253 7.603 8.180 -0.425 0.068 0.734 368 E N -3.404 116.949 120.200 0.256 0.000 2.948 368 E HA 0.101 nan 4.350 nan 0.000 0.186 368 E C -1.486 175.207 176.600 0.156 0.000 0.951 368 E CA -0.442 56.090 56.400 0.219 0.000 1.308 368 E CB 1.433 31.233 29.700 0.168 0.000 1.037 368 E HN -0.625 7.734 8.360 0.112 0.068 0.469 369 K N -0.357 120.156 120.400 0.188 0.000 2.183 369 K HA 0.319 nan 4.320 nan 0.000 0.274 369 K C 0.957 177.683 176.600 0.210 0.000 1.009 369 K CA -0.948 55.428 56.287 0.148 0.000 0.888 369 K CB 0.717 33.268 32.500 0.085 0.000 1.078 369 K HN -0.734 7.667 8.250 0.252 0.000 0.459 370 T N 1.431 116.057 114.554 0.121 0.000 3.565 370 T HA 0.071 nan 4.350 nan 0.000 0.248 370 T C 0.832 175.572 174.700 0.067 0.000 1.033 370 T CA -0.546 61.603 62.100 0.082 0.000 0.952 370 T CB -1.766 67.129 68.868 0.045 0.000 1.072 370 T HN 0.610 8.900 8.240 0.084 0.000 0.609 371 D N 3.958 124.439 120.400 0.134 0.000 2.182 371 D HA -0.316 nan 4.640 nan 0.000 0.193 371 D C 0.620 176.929 176.300 0.015 0.000 0.999 371 D CA 3.235 57.308 54.000 0.122 0.000 0.850 371 D CB -0.023 40.970 40.800 0.322 0.000 0.994 371 D HN 0.222 8.600 8.370 0.229 0.130 0.450 372 K N -2.478 117.896 120.400 -0.044 0.000 2.505 372 K HA -0.021 nan 4.320 nan 0.000 0.192 372 K C 0.044 176.546 176.600 -0.163 0.000 1.025 372 K CA -0.140 56.030 56.287 -0.195 0.000 1.086 372 K CB -0.169 32.095 32.500 -0.392 0.000 0.840 372 K HN -0.363 7.921 8.250 -0.043 -0.059 0.514 373 A N -0.259 122.521 122.820 -0.066 0.000 1.835 373 A HA -0.281 nan 4.320 nan 0.000 0.215 373 A C 1.799 179.358 177.584 -0.042 0.000 1.199 373 A CA 2.940 54.959 52.037 -0.029 0.000 0.615 373 A CB -0.474 18.523 19.000 -0.005 0.000 0.838 373 A HN -0.570 7.417 8.150 -0.040 0.138 0.444 374 Q N -1.139 118.634 119.800 -0.046 0.000 2.364 374 Q HA -0.196 nan 4.340 nan 0.000 0.207 374 Q C 1.474 177.435 176.000 -0.064 0.000 0.970 374 Q CA 2.274 58.056 55.803 -0.035 0.000 0.888 374 Q CB -0.231 28.493 28.738 -0.024 0.000 0.951 374 Q HN 0.200 8.444 8.270 -0.044 0.000 0.469 375 L N -1.606 119.532 121.223 -0.141 0.000 2.633 375 L HA -0.185 nan 4.340 nan 0.000 0.235 375 L C 0.183 176.907 176.870 -0.244 0.000 1.163 375 L CA 2.268 56.964 54.840 -0.240 0.000 0.859 375 L CB -1.037 40.794 42.059 -0.380 0.000 0.973 375 L HN -0.520 7.572 8.230 -0.152 0.046 0.451 376 L N -2.291 118.893 121.223 -0.066 0.000 2.316 376 L HA 0.039 nan 4.340 nan 0.000 0.207 376 L C 1.308 178.272 176.870 0.156 0.000 1.070 376 L CA 2.121 57.075 54.840 0.189 0.000 0.820 376 L CB 0.425 42.628 42.059 0.240 0.000 0.992 376 L HN 0.089 8.116 8.230 -0.065 0.164 0.466 377 R N -0.053 120.493 120.500 0.077 0.000 2.075 377 R HA -0.297 nan 4.340 nan 0.000 0.232 377 R C 2.633 178.967 176.300 0.056 0.000 1.126 377 R CA 3.736 59.873 56.100 0.061 0.000 0.963 377 R CB -0.289 30.032 30.300 0.036 0.000 0.858 377 R HN -0.594 7.701 8.270 0.042 0.000 0.435 378 D N -2.831 117.596 120.400 0.046 0.000 2.347 378 D HA -0.084 nan 4.640 nan 0.000 0.215 378 D C 0.120 176.460 176.300 0.067 0.000 0.976 378 D CA 1.929 55.953 54.000 0.041 0.000 0.884 378 D CB -0.894 39.919 40.800 0.020 0.000 0.915 378 D HN -0.529 7.861 8.370 0.033 0.000 0.526 379 A N -1.843 121.045 122.820 0.113 0.000 1.973 379 A HA 0.040 nan 4.320 nan 0.000 0.210 379 A C 0.152 177.810 177.584 0.123 0.000 1.200 379 A CA 1.038 53.171 52.037 0.161 0.000 0.707 379 A CB 1.182 20.391 19.000 0.347 0.000 0.862 379 A HN -0.342 7.750 8.150 0.121 0.130 0.461 380 A N -0.485 122.404 122.820 0.115 0.000 2.910 380 A HA 0.225 nan 4.320 nan 0.000 0.316 380 A C -0.999 176.617 177.584 0.054 0.000 1.493 380 A CA -1.202 50.879 52.037 0.073 0.000 1.150 380 A CB -1.168 17.876 19.000 0.073 0.000 1.159 380 A HN -0.174 8.050 8.150 0.123 0.000 0.526 381 G N 1.901 110.728 108.800 0.045 0.000 2.741 381 G HA2 -0.304 nan 3.960 nan 0.000 0.222 381 G HA3 -0.304 nan 3.960 nan 0.000 0.222 381 G C -1.254 173.670 174.900 0.041 0.000 1.364 381 G CA -0.421 44.700 45.100 0.036 0.000 0.866 381 G HN -0.571 7.710 8.290 0.046 0.037 0.555 382 L N 0.233 121.475 121.223 0.032 0.000 2.999 382 L HA 0.206 nan 4.340 nan 0.000 0.263 382 L C -0.746 176.139 176.870 0.025 0.000 1.320 382 L CA -0.258 54.601 54.840 0.031 0.000 0.913 382 L CB 0.024 42.098 42.059 0.026 0.000 1.296 382 L HN 0.218 8.464 8.230 0.027 0.000 0.546 383 K N 0.000 120.416 120.400 0.027 0.000 2.780 383 K HA 0.000 nan 4.320 nan 0.000 0.191 383 K CA 0.000 56.300 56.287 0.022 0.000 0.838 383 K CB 0.000 32.513 32.500 0.022 0.000 1.064 383 K HN 0.000 8.188 8.250 0.034 0.082 0.543