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 1gc2_1_C DATA FIRST_RESID 7 DATA SEQUENCE LPGFATRAIH HGYDPQDHGG ALVPPVYQTA TFTFPTVEXX XXXXXXXXXX DATA SEQUENCE XXXXXISNPT LNLLEARMAS LEGGEAGLAL ASGMGAITST LWTLLRPGDE DATA SEQUENCE VLLGNTLYGC TFAFLHHGIG EFGVKLRHVD MADLQALEAA MTPATRVIYF DATA SEQUENCE ESPANPNMHM ADIAGVAKIA RKHGATVVVD NTYCTPYLQR PLELGADLVV DATA SEQUENCE HSATXYLSGH GDITAGIVVG SQALVDRIRL QGLKDMTGAV LSPHDAALLM DATA SEQUENCE RGIKTLNLRM DRHCANAQVL AEFLARQPQV ELIHYPGLAS FPQYTLARQQ DATA SEQUENCE MSQPGGMIAF ELKGGIGAGR RFMNALQLFS RAVSLGDAES LAQHPASMTH DATA SEQUENCE SSYTPEERAH YGISEGLVRL SVGLEDIDDL LADVQQALKA SA 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.894 176.870 0.041 0.000 1.165 7 L CA 0.000 54.861 54.840 0.035 0.000 0.813 7 L CB 0.000 42.079 42.059 0.033 0.000 0.961 8 P HA 0.243 nan 4.420 nan 0.000 0.270 8 P C 0.108 177.448 177.300 0.066 0.000 1.223 8 P CA -0.148 62.982 63.100 0.050 0.000 0.785 8 P CB 0.655 32.385 31.700 0.050 0.000 0.923 9 G N 0.076 108.927 108.800 0.084 0.000 2.664 9 G HA2 0.021 3.981 3.960 0.001 0.000 0.242 9 G HA3 0.021 3.981 3.960 0.001 0.000 0.242 9 G C 0.499 175.497 174.900 0.162 0.000 1.225 9 G CA -0.606 44.571 45.100 0.129 0.000 0.849 9 G HN 0.530 nan 8.290 nan 0.000 0.581 10 F N 1.929 121.925 119.950 0.078 0.000 2.063 10 F HA -0.226 4.301 4.527 0.001 0.000 0.298 10 F C 2.733 178.575 175.800 0.070 0.000 1.109 10 F CA 2.656 60.709 58.000 0.089 0.000 1.212 10 F CB -0.084 39.012 39.000 0.161 0.000 0.973 10 F HN 0.423 nan 8.300 nan 0.000 0.480 11 A N -0.627 122.414 122.820 0.368 0.000 1.908 11 A HA -0.214 4.106 4.320 0.001 0.000 0.218 11 A C 2.144 179.788 177.584 0.100 0.000 1.181 11 A CA 2.377 54.542 52.037 0.213 0.000 0.627 11 A CB -1.450 17.648 19.000 0.163 0.000 0.818 11 A HN 0.480 nan 8.150 nan 0.000 0.445 12 T N -0.334 114.290 114.554 0.117 0.000 2.708 12 T HA -0.148 4.203 4.350 0.001 0.000 0.266 12 T C 2.052 176.837 174.700 0.141 0.000 1.037 12 T CA 1.616 63.810 62.100 0.157 0.000 1.146 12 T CB -0.238 68.707 68.868 0.128 0.000 0.865 12 T HN 0.536 nan 8.240 nan 0.000 0.435 13 R N 0.971 121.491 120.500 0.033 0.000 2.092 13 R HA 0.127 4.468 4.340 0.001 0.000 0.231 13 R C 2.733 178.993 176.300 -0.067 0.000 1.119 13 R CA 1.066 57.167 56.100 0.002 0.000 0.970 13 R CB -0.382 29.843 30.300 -0.126 0.000 0.864 13 R HN 0.341 nan 8.270 nan 0.000 0.440 14 A N 0.547 123.252 122.820 -0.192 0.000 2.121 14 A HA -0.069 4.251 4.320 0.001 0.000 0.218 14 A C 1.891 179.417 177.584 -0.096 0.000 1.154 14 A CA 1.082 53.006 52.037 -0.188 0.000 0.679 14 A CB -0.215 18.670 19.000 -0.191 0.000 0.795 14 A HN 0.209 nan 8.150 nan 0.000 0.458 15 I N -2.884 117.639 120.570 -0.079 0.000 3.616 15 I HA 0.058 4.228 4.170 0.001 0.000 0.296 15 I C 1.977 177.929 176.117 -0.274 0.000 1.226 15 I CA 0.417 61.603 61.300 -0.189 0.000 1.394 15 I CB 0.016 37.862 38.000 -0.256 0.000 1.171 15 I HN 0.326 nan 8.210 nan 0.000 0.442 16 H N -1.641 117.452 119.070 0.038 0.000 2.800 16 H HA 0.154 4.711 4.556 0.001 0.000 0.257 16 H C 0.291 175.663 175.328 0.073 0.000 0.967 16 H CA -0.170 55.916 56.048 0.064 0.000 1.192 16 H CB 0.029 29.820 29.762 0.047 0.000 1.441 16 H HN 0.191 nan 8.280 nan 0.000 0.461 17 H N 0.900 120.036 119.070 0.110 0.000 3.195 17 H HA 0.047 4.604 4.556 0.001 0.000 0.302 17 H C 1.368 176.737 175.328 0.068 0.000 0.950 17 H CA 1.806 57.889 56.048 0.058 0.000 1.398 17 H CB 0.062 29.820 29.762 -0.006 0.000 1.377 17 H HN 0.703 nan 8.280 nan 0.000 0.572 18 G N 3.001 111.452 108.800 -0.581 0.000 2.179 18 G HA2 -0.309 3.651 3.960 0.001 0.000 0.260 18 G HA3 -0.309 3.651 3.960 0.001 0.000 0.260 18 G C -0.346 174.555 174.900 0.002 0.000 0.977 18 G CA 0.508 45.433 45.100 -0.291 0.000 0.641 18 G HN 0.794 nan 8.290 nan 0.000 0.533 19 Y N 0.909 121.149 120.300 -0.099 0.000 2.406 19 Y HA 0.610 5.160 4.550 0.001 0.000 0.340 19 Y C -1.550 174.350 175.900 -0.001 0.000 0.975 19 Y CA -1.521 56.551 58.100 -0.047 0.000 1.056 19 Y CB 2.259 40.679 38.460 -0.066 0.000 1.210 19 Y HN 0.054 nan 8.280 nan 0.000 0.448 20 D N 7.749 127.754 120.400 -0.659 0.000 2.549 20 D HA 0.381 5.021 4.640 0.001 0.000 0.251 20 D C -2.297 173.557 176.300 -0.743 0.000 1.153 20 D CA -2.521 51.186 54.000 -0.488 0.000 0.861 20 D CB 2.700 43.361 40.800 -0.231 0.000 1.207 20 D HN 0.279 nan 8.370 nan 0.000 0.543 21 P HA -0.212 nan 4.420 nan 0.000 0.217 21 P C 1.209 178.435 177.300 -0.124 0.000 1.151 21 P CA 1.256 64.194 63.100 -0.269 0.000 0.849 21 P CB 0.205 31.890 31.700 -0.026 0.000 0.787 22 Q N -0.403 119.328 119.800 -0.115 0.000 2.368 22 Q HA -0.202 4.138 4.340 0.001 0.000 0.210 22 Q C 0.865 176.837 176.000 -0.045 0.000 0.982 22 Q CA 1.378 57.145 55.803 -0.059 0.000 0.884 22 Q CB -0.399 28.303 28.738 -0.060 0.000 0.933 22 Q HN 0.276 nan 8.270 nan 0.000 0.460 23 D N -0.786 119.583 120.400 -0.051 0.000 2.348 23 D HA -0.017 4.623 4.640 0.001 0.000 0.211 23 D C -0.081 176.184 176.300 -0.059 0.000 0.998 23 D CA 0.594 54.579 54.000 -0.025 0.000 0.873 23 D CB 0.277 41.082 40.800 0.009 0.000 0.925 23 D HN 0.353 nan 8.370 nan 0.000 0.524 24 H N -0.939 118.131 119.070 0.000 0.000 2.535 24 H HA 0.396 4.952 4.556 0.001 0.000 0.232 24 H C 1.051 176.424 175.328 0.076 0.000 1.405 24 H CA -0.255 55.853 56.048 0.101 0.000 1.224 24 H CB 0.686 30.598 29.762 0.249 0.000 1.763 24 H HN -0.006 nan 8.280 nan 0.000 0.529 25 G N 0.295 109.154 108.800 0.100 0.000 2.187 25 G HA2 -0.222 3.738 3.960 0.001 0.000 0.261 25 G HA3 -0.222 3.738 3.960 0.001 0.000 0.261 25 G C 1.283 176.225 174.900 0.070 0.000 1.000 25 G CA 0.663 45.804 45.100 0.069 0.000 0.718 25 G HN 1.318 nan 8.290 nan 0.000 0.519 26 G N -1.760 107.086 108.800 0.076 0.000 2.159 26 G HA2 0.177 4.137 3.960 0.001 0.000 0.256 26 G HA3 0.177 4.137 3.960 0.001 0.000 0.256 26 G C 0.771 175.728 174.900 0.094 0.000 0.977 26 G CA 1.089 46.225 45.100 0.060 0.000 0.652 26 G HN 2.311 nan 8.290 nan 0.000 0.531 27 A N 0.007 122.917 122.820 0.149 0.000 2.522 27 A HA 0.629 4.949 4.320 0.001 0.000 0.256 27 A C 1.563 179.274 177.584 0.212 0.000 1.086 27 A CA 0.651 52.784 52.037 0.159 0.000 0.763 27 A CB 0.174 19.279 19.000 0.175 0.000 1.024 27 A HN 0.807 nan 8.150 nan 0.000 0.502 28 L N 3.009 124.315 121.223 0.137 0.000 2.083 28 L HA -0.087 4.253 4.340 0.001 0.000 0.209 28 L C 0.484 177.437 176.870 0.138 0.000 1.083 28 L CA 0.965 55.894 54.840 0.148 0.000 0.752 28 L CB -0.083 42.021 42.059 0.074 0.000 0.899 28 L HN 0.518 nan 8.230 nan 0.000 0.433 29 V N 1.081 121.011 119.914 0.027 0.000 2.398 29 V HA 0.262 4.383 4.120 0.001 0.000 0.286 29 V C -2.025 173.942 176.094 -0.212 0.000 1.026 29 V CA -1.692 60.536 62.300 -0.120 0.000 0.868 29 V CB 1.228 32.989 31.823 -0.102 0.000 0.982 29 V HN 0.040 nan 8.190 nan 0.000 0.443 30 P HA 0.176 nan 4.420 nan 0.000 0.268 30 P C -2.508 174.660 177.300 -0.220 0.000 1.204 30 P CA -0.966 61.770 63.100 -0.606 0.000 0.768 30 P CB -0.003 31.040 31.700 -1.096 0.000 0.842 31 P HA 0.037 nan 4.420 nan 0.000 0.271 31 P C -0.405 176.887 177.300 -0.013 0.000 1.218 31 P CA 0.012 63.085 63.100 -0.044 0.000 0.780 31 P CB 0.495 32.170 31.700 -0.041 0.000 0.901 32 V N 3.845 123.730 119.914 -0.049 0.000 2.408 32 V HA 0.024 4.144 4.120 0.001 0.000 0.267 32 V C 0.147 176.235 176.094 -0.011 0.000 1.047 32 V CA -0.165 62.145 62.300 0.016 0.000 0.937 32 V CB -0.640 31.181 31.823 -0.002 0.000 0.999 32 V HN 0.386 nan 8.190 nan 0.000 0.472 33 Y N 3.318 123.638 120.300 0.034 0.000 2.623 33 Y HA 0.256 4.806 4.550 0.001 0.000 0.341 33 Y C 1.049 176.962 175.900 0.021 0.000 1.292 33 Y CA -0.248 57.881 58.100 0.047 0.000 1.840 33 Y CB 0.009 38.557 38.460 0.148 0.000 1.865 33 Y HN 0.631 nan 8.280 nan 0.000 0.440 34 Q N 1.988 121.815 119.800 0.044 0.000 2.837 34 Q HA 0.157 4.497 4.340 0.001 0.000 0.235 34 Q C -0.411 175.574 176.000 -0.026 0.000 1.348 34 Q CA 0.056 55.877 55.803 0.030 0.000 0.990 34 Q CB 0.060 28.807 28.738 0.015 0.000 1.570 34 Q HN 0.421 nan 8.270 nan 0.000 0.575 35 T N -0.040 114.495 114.554 -0.032 0.000 2.933 35 T HA 0.682 5.032 4.350 0.001 0.000 0.305 35 T C 0.163 174.812 174.700 -0.085 0.000 1.092 35 T CA 0.043 62.062 62.100 -0.136 0.000 1.008 35 T CB 1.303 69.968 68.868 -0.338 0.000 1.102 35 T HN 0.351 nan 8.240 nan 0.000 0.469 36 A N 3.048 125.826 122.820 -0.071 0.000 2.030 36 A HA 0.407 4.728 4.320 0.001 0.000 0.215 36 A C 1.233 178.830 177.584 0.022 0.000 1.164 36 A CA 0.817 52.855 52.037 0.002 0.000 0.697 36 A CB -0.141 18.860 19.000 0.002 0.000 0.827 36 A HN 0.742 nan 8.150 nan 0.000 0.457 37 T N -1.811 112.691 114.554 -0.088 0.000 2.901 37 T HA 0.639 4.990 4.350 0.001 0.000 0.293 37 T C -1.823 172.715 174.700 -0.269 0.000 1.084 37 T CA -0.551 61.528 62.100 -0.034 0.000 1.008 37 T CB 0.767 69.627 68.868 -0.013 0.000 1.170 37 T HN 0.056 nan 8.240 nan 0.000 0.509 38 F N 1.435 121.305 119.950 -0.133 0.000 2.565 38 F HA 0.550 5.077 4.527 0.001 0.000 0.313 38 F C 0.845 176.381 175.800 -0.440 0.000 1.091 38 F CA -0.684 57.181 58.000 -0.225 0.000 0.915 38 F CB 2.353 41.212 39.000 -0.234 0.000 1.208 38 F HN 0.654 nan 8.300 nan 0.000 0.453 39 T N -0.891 113.520 114.554 -0.237 0.000 2.927 39 T HA 0.763 5.113 4.350 0.001 0.000 0.281 39 T C -0.827 173.598 174.700 -0.458 0.000 0.998 39 T CA -0.527 61.385 62.100 -0.313 0.000 1.019 39 T CB 0.993 69.811 68.868 -0.083 0.000 1.061 39 T HN 0.214 nan 8.240 nan 0.000 0.518 40 F N 1.171 121.163 119.950 0.070 0.000 2.508 40 F HA 0.469 4.997 4.527 0.001 0.000 0.325 40 F C -0.879 174.945 175.800 0.040 0.000 1.090 40 F CA -2.353 55.680 58.000 0.054 0.000 0.945 40 F CB 1.163 40.188 39.000 0.041 0.000 1.156 40 F HN 0.430 nan 8.300 nan 0.000 0.463 41 P HA -0.024 nan 4.420 nan 0.000 0.219 41 P C 0.092 177.458 177.300 0.111 0.000 1.150 41 P CA 1.076 64.249 63.100 0.121 0.000 0.814 41 P CB 0.171 31.926 31.700 0.091 0.000 0.787 42 T N -4.819 109.812 114.554 0.127 0.000 2.864 42 T HA 0.326 4.676 4.350 0.001 0.000 0.299 42 T C 0.943 175.668 174.700 0.043 0.000 1.166 42 T CA -0.664 61.479 62.100 0.071 0.000 1.007 42 T CB 1.673 70.565 68.868 0.041 0.000 1.219 42 T HN -0.268 nan 8.240 nan 0.000 0.506 43 V N 0.208 120.121 119.914 -0.001 0.000 2.764 43 V HA 0.022 4.142 4.120 0.001 0.000 0.261 43 V C 0.983 176.991 176.094 -0.143 0.000 1.108 43 V CA 2.303 64.566 62.300 -0.062 0.000 1.129 43 V CB -1.547 30.249 31.823 -0.044 0.000 0.701 43 V HN 1.052 nan 8.190 nan 0.000 0.495 63 S N 3.526 119.021 115.700 -0.342 0.000 2.548 63 S HA 0.530 5.000 4.470 0.001 0.000 0.286 63 S C -0.960 173.392 174.600 -0.414 0.000 1.098 63 S CA -0.882 57.160 58.200 -0.265 0.000 0.930 63 S CB 2.794 65.892 63.200 -0.169 0.000 1.070 63 S HN 0.520 nan 8.310 nan 0.000 0.480 64 N N 1.730 120.315 118.700 -0.190 0.000 2.422 64 N HA 0.291 5.032 4.740 0.001 0.000 0.264 64 N C -1.964 173.465 175.510 -0.136 0.000 1.063 64 N CA -1.839 51.166 53.050 -0.074 0.000 0.959 64 N CB 1.278 39.839 38.487 0.122 0.000 1.087 64 N HN 0.291 nan 8.380 nan 0.000 0.483 65 P HA -0.077 nan 4.420 nan 0.000 0.217 65 P C 0.937 178.155 177.300 -0.138 0.000 1.148 65 P CA 1.373 64.283 63.100 -0.317 0.000 0.828 65 P CB 0.367 31.607 31.700 -0.767 0.000 0.783 66 T N -0.528 114.005 114.554 -0.036 0.000 2.770 66 T HA -0.044 4.306 4.350 0.001 0.000 0.263 66 T C 1.646 176.345 174.700 -0.001 0.000 1.039 66 T CA 0.807 62.926 62.100 0.032 0.000 1.142 66 T CB -0.615 68.323 68.868 0.117 0.000 0.868 66 T HN -0.043 nan 8.240 nan 0.000 0.435 67 L N 1.894 123.122 121.223 0.009 0.000 2.056 67 L HA -0.020 4.320 4.340 0.001 0.000 0.207 67 L C 2.260 179.123 176.870 -0.011 0.000 1.078 67 L CA 1.529 56.371 54.840 0.003 0.000 0.749 67 L CB -1.493 40.575 42.059 0.014 0.000 0.901 67 L HN 0.258 nan 8.230 nan 0.000 0.433 68 N N 0.063 118.746 118.700 -0.029 0.000 2.149 68 N HA -0.192 4.548 4.740 0.001 0.000 0.188 68 N C 1.964 177.468 175.510 -0.009 0.000 1.019 68 N CA 0.886 53.920 53.050 -0.027 0.000 0.857 68 N CB -0.271 38.184 38.487 -0.054 0.000 0.997 68 N HN 0.296 nan 8.380 nan 0.000 0.426 69 L N 0.277 121.491 121.223 -0.016 0.000 2.027 69 L HA -0.100 4.241 4.340 0.001 0.000 0.206 69 L C 2.123 178.994 176.870 0.001 0.000 1.074 69 L CA 0.855 55.692 54.840 -0.005 0.000 0.745 69 L CB -0.248 41.785 42.059 -0.044 0.000 0.898 69 L HN 0.116 nan 8.230 nan 0.000 0.433 70 L N 0.252 121.465 121.223 -0.016 0.000 2.012 70 L HA -0.261 4.079 4.340 0.001 0.000 0.210 70 L C 2.237 179.107 176.870 -0.000 0.000 1.073 70 L CA 1.919 56.750 54.840 -0.016 0.000 0.748 70 L CB -0.627 41.420 42.059 -0.019 0.000 0.891 70 L HN 0.270 nan 8.230 nan 0.000 0.431 71 E N -0.216 119.989 120.200 0.007 0.000 2.051 71 E HA -0.194 4.157 4.350 0.001 0.000 0.192 71 E C 2.211 178.828 176.600 0.029 0.000 0.991 71 E CA 1.226 57.635 56.400 0.015 0.000 0.799 71 E CB -0.403 29.306 29.700 0.014 0.000 0.748 71 E HN 0.677 nan 8.360 nan 0.000 0.449 72 A N 1.410 124.261 122.820 0.052 0.000 1.902 72 A HA -0.225 4.095 4.320 0.001 0.000 0.217 72 A C 2.111 179.778 177.584 0.139 0.000 1.181 72 A CA 1.689 53.792 52.037 0.109 0.000 0.623 72 A CB -0.462 18.618 19.000 0.133 0.000 0.818 72 A HN 0.078 nan 8.150 nan 0.000 0.443 73 R N -1.467 119.110 120.500 0.127 0.000 2.081 73 R HA -0.091 4.250 4.340 0.001 0.000 0.235 73 R C 2.111 178.368 176.300 -0.071 0.000 1.131 73 R CA 1.709 57.848 56.100 0.066 0.000 0.960 73 R CB -0.245 30.079 30.300 0.039 0.000 0.856 73 R HN 0.380 nan 8.270 nan 0.000 0.436 74 M N 0.044 119.617 119.600 -0.045 0.000 2.175 74 M HA -0.054 4.427 4.480 0.001 0.000 0.264 74 M C 2.308 178.579 176.300 -0.048 0.000 1.063 74 M CA 1.555 56.821 55.300 -0.058 0.000 1.119 74 M CB -0.920 31.659 32.600 -0.036 0.000 1.377 74 M HN 0.307 nan 8.290 nan 0.000 0.415 75 A N -0.705 122.094 122.820 -0.035 0.000 1.902 75 A HA -0.163 4.158 4.320 0.001 0.000 0.217 75 A C 2.479 180.009 177.584 -0.090 0.000 1.181 75 A CA 2.277 54.297 52.037 -0.029 0.000 0.623 75 A CB -0.962 18.036 19.000 -0.003 0.000 0.818 75 A HN 0.490 nan 8.150 nan 0.000 0.443 76 S N -0.779 114.795 115.700 -0.209 0.000 2.356 76 S HA -0.137 4.333 4.470 0.001 0.000 0.223 76 S C 1.881 176.337 174.600 -0.239 0.000 1.032 76 S CA 1.624 59.607 58.200 -0.361 0.000 1.005 76 S CB -0.417 62.238 63.200 -0.908 0.000 0.867 76 S HN 0.287 nan 8.310 nan 0.000 0.449 77 L N 1.535 122.618 121.223 -0.233 0.000 2.079 77 L HA 0.068 4.408 4.340 0.001 0.000 0.210 77 L C 2.483 179.380 176.870 0.045 0.000 1.081 77 L CA 1.784 56.513 54.840 -0.186 0.000 0.752 77 L CB -0.978 40.947 42.059 -0.223 0.000 0.896 77 L HN 0.315 nan 8.230 nan 0.000 0.433 78 E N -0.662 119.559 120.200 0.034 0.000 2.442 78 E HA 0.143 4.493 4.350 0.001 0.000 0.195 78 E C 1.347 177.979 176.600 0.053 0.000 1.030 78 E CA 0.582 57.034 56.400 0.087 0.000 0.869 78 E CB -0.070 29.691 29.700 0.102 0.000 0.857 78 E HN 0.348 nan 8.360 nan 0.000 0.505 79 G N -0.418 108.390 108.800 0.012 0.000 2.160 79 G HA2 -0.199 3.762 3.960 0.001 0.000 0.244 79 G HA3 -0.199 3.762 3.960 0.001 0.000 0.244 79 G C 0.437 175.342 174.900 0.008 0.000 1.022 79 G CA 0.192 45.295 45.100 0.006 0.000 0.741 79 G HN 0.563 nan 8.290 nan 0.000 0.508 80 G N -1.503 107.300 108.800 0.005 0.000 2.552 80 G HA2 0.653 4.613 3.960 0.001 0.000 0.324 80 G HA3 0.653 4.613 3.960 0.001 0.000 0.324 80 G C 0.530 175.435 174.900 0.009 0.000 1.217 80 G CA 0.188 45.295 45.100 0.013 0.000 0.989 80 G HN 0.235 nan 8.290 nan 0.000 0.490 81 E N -0.641 119.568 120.200 0.016 0.000 2.112 81 E HA 0.260 4.611 4.350 0.001 0.000 0.190 81 E C 0.963 177.576 176.600 0.022 0.000 0.979 81 E CA 0.901 57.312 56.400 0.019 0.000 0.814 81 E CB 0.300 30.011 29.700 0.019 0.000 0.762 81 E HN 0.486 nan 8.360 nan 0.000 0.460 82 A N 0.257 123.090 122.820 0.022 0.000 2.587 82 A HA 0.700 5.020 4.320 0.001 0.000 0.293 82 A C -0.539 177.061 177.584 0.026 0.000 1.087 82 A CA -0.219 51.833 52.037 0.024 0.000 0.692 82 A CB 1.877 20.890 19.000 0.022 0.000 1.291 82 A HN 0.126 nan 8.150 nan 0.000 0.407 83 G N -0.370 108.446 108.800 0.026 0.000 2.605 83 G HA2 0.655 4.616 3.960 0.001 0.000 0.296 83 G HA3 0.655 4.616 3.960 0.001 0.000 0.296 83 G C -1.664 173.252 174.900 0.027 0.000 1.304 83 G CA -0.503 44.615 45.100 0.030 0.000 0.941 83 G HN 1.001 nan 8.290 nan 0.000 0.475 84 L N 0.464 121.707 121.223 0.032 0.000 2.464 84 L HA 0.776 5.116 4.340 0.001 0.000 0.266 84 L C -0.655 176.234 176.870 0.032 0.000 0.965 84 L CA -0.738 54.119 54.840 0.028 0.000 0.833 84 L CB 1.589 43.666 42.059 0.030 0.000 1.296 84 L HN 0.798 nan 8.230 nan 0.000 0.405 85 A N 5.141 127.976 122.820 0.026 0.000 2.317 85 A HA 0.833 5.153 4.320 0.001 0.000 0.327 85 A C -1.177 176.424 177.584 0.028 0.000 1.178 85 A CA -0.401 51.652 52.037 0.027 0.000 0.817 85 A CB 1.315 20.327 19.000 0.020 0.000 1.189 85 A HN 0.576 nan 8.150 nan 0.000 0.489 86 L N 0.852 122.093 121.223 0.031 0.000 2.303 86 L HA 0.661 5.002 4.340 0.001 0.000 0.256 86 L C 1.517 178.404 176.870 0.028 0.000 1.034 86 L CA -0.098 54.759 54.840 0.028 0.000 0.832 86 L CB 1.392 43.467 42.059 0.026 0.000 1.403 86 L HN 0.746 nan 8.230 nan 0.000 0.419 87 A N 0.081 122.917 122.820 0.026 0.000 2.024 87 A HA 0.094 4.414 4.320 0.001 0.000 0.220 87 A C 0.791 178.391 177.584 0.027 0.000 1.164 87 A CA 1.797 53.851 52.037 0.028 0.000 0.643 87 A CB -0.595 18.420 19.000 0.025 0.000 0.806 87 A HN 0.804 nan 8.150 nan 0.000 0.451 88 S N -5.288 110.425 115.700 0.022 0.000 2.636 88 S HA 0.510 4.980 4.470 0.001 0.000 0.268 88 S C 0.918 175.526 174.600 0.014 0.000 1.159 88 S CA 0.058 58.270 58.200 0.020 0.000 0.815 88 S CB 0.739 63.952 63.200 0.020 0.000 1.130 88 S HN 0.801 nan 8.310 nan 0.000 0.471 89 G N 0.637 109.439 108.800 0.004 0.000 2.418 89 G HA2 -0.102 3.859 3.960 0.001 0.000 0.217 89 G HA3 -0.102 3.859 3.960 0.001 0.000 0.217 89 G C 1.143 176.031 174.900 -0.019 0.000 1.158 89 G CA 1.107 46.203 45.100 -0.008 0.000 0.771 89 G HN 0.536 nan 8.290 nan 0.000 0.545 90 M N 1.202 120.790 119.600 -0.019 0.000 2.229 90 M HA 0.036 4.517 4.480 0.001 0.000 0.264 90 M C 2.776 179.027 176.300 -0.082 0.000 1.063 90 M CA 1.039 56.315 55.300 -0.039 0.000 1.114 90 M CB -1.561 31.040 32.600 0.002 0.000 1.387 90 M HN 0.271 nan 8.290 nan 0.000 0.420 91 G N -0.153 108.625 108.800 -0.037 0.000 2.422 91 G HA2 -0.061 3.899 3.960 0.001 0.000 0.218 91 G HA3 -0.061 3.899 3.960 0.001 0.000 0.218 91 G C 1.664 176.550 174.900 -0.024 0.000 1.146 91 G CA 1.118 46.201 45.100 -0.028 0.000 0.769 91 G HN 0.535 nan 8.290 nan 0.000 0.547 92 A N 0.648 123.463 122.820 -0.009 0.000 1.898 92 A HA 0.126 4.447 4.320 0.001 0.000 0.216 92 A C 2.392 179.972 177.584 -0.007 0.000 1.181 92 A CA 1.141 53.184 52.037 0.010 0.000 0.620 92 A CB -0.290 18.731 19.000 0.036 0.000 0.819 92 A HN 0.364 nan 8.150 nan 0.000 0.442 93 I N 0.290 120.838 120.570 -0.037 0.000 2.163 93 I HA -0.229 3.941 4.170 0.001 0.000 0.240 93 I C 2.921 178.925 176.117 -0.189 0.000 1.081 93 I CA 1.861 63.119 61.300 -0.071 0.000 1.353 93 I CB -0.718 37.248 38.000 -0.058 0.000 1.054 93 I HN 0.536 nan 8.210 nan 0.000 0.407 94 T N -2.097 112.241 114.554 -0.359 0.000 2.746 94 T HA -0.135 4.215 4.350 0.001 0.000 0.267 94 T C 2.012 176.677 174.700 -0.059 0.000 1.039 94 T CA 1.652 63.408 62.100 -0.573 0.000 1.142 94 T CB -0.598 67.891 68.868 -0.631 0.000 0.866 94 T HN 0.175 nan 8.240 nan 0.000 0.444 95 S N 1.179 116.900 115.700 0.034 0.000 2.382 95 S HA -0.093 4.377 4.470 0.001 0.000 0.228 95 S C 2.315 176.981 174.600 0.109 0.000 1.027 95 S CA 1.606 59.878 58.200 0.120 0.000 0.991 95 S CB -0.884 62.355 63.200 0.064 0.000 0.823 95 S HN 0.691 nan 8.310 nan 0.000 0.469 96 T N 2.855 117.440 114.554 0.051 0.000 2.701 96 T HA 0.048 4.399 4.350 0.001 0.000 0.263 96 T C 1.777 176.508 174.700 0.053 0.000 1.040 96 T CA 1.034 63.164 62.100 0.050 0.000 1.147 96 T CB -0.427 68.465 68.868 0.040 0.000 0.865 96 T HN 0.252 nan 8.240 nan 0.000 0.426 97 L N -1.098 120.131 121.223 0.011 0.000 2.093 97 L HA -0.035 4.306 4.340 0.001 0.000 0.208 97 L C 2.459 179.349 176.870 0.034 0.000 1.085 97 L CA 1.291 56.116 54.840 -0.025 0.000 0.755 97 L CB -0.559 41.453 42.059 -0.080 0.000 0.904 97 L HN 0.389 nan 8.230 nan 0.000 0.435 98 W N 0.240 121.598 121.300 0.096 0.000 2.374 98 W HA -0.181 4.480 4.660 0.001 0.000 0.288 98 W C 2.600 179.125 176.519 0.010 0.000 1.218 98 W CA 0.994 58.370 57.345 0.051 0.000 1.245 98 W CB -0.291 29.183 29.460 0.023 0.000 1.126 98 W HN 0.056 nan 8.180 nan 0.000 0.545 99 T N 0.393 115.091 114.554 0.240 0.000 2.770 99 T HA -0.136 4.214 4.350 0.001 0.000 0.263 99 T C 1.584 176.343 174.700 0.098 0.000 1.039 99 T CA 0.829 63.012 62.100 0.138 0.000 1.142 99 T CB -0.419 68.507 68.868 0.096 0.000 0.868 99 T HN -0.158 nan 8.240 nan 0.000 0.435 100 L N 0.164 121.433 121.223 0.078 0.000 2.395 100 L HA 0.328 4.668 4.340 0.001 0.000 0.218 100 L C 0.461 177.355 176.870 0.040 0.000 1.130 100 L CA 0.954 55.824 54.840 0.050 0.000 0.826 100 L CB -0.815 41.265 42.059 0.036 0.000 0.941 100 L HN 0.214 nan 8.230 nan 0.000 0.451 101 L N -0.611 120.640 121.223 0.047 0.000 2.342 101 L HA 0.558 4.899 4.340 0.001 0.000 0.271 101 L C -0.050 176.862 176.870 0.070 0.000 1.008 101 L CA -0.674 54.182 54.840 0.028 0.000 0.818 101 L CB 1.747 43.784 42.059 -0.038 0.000 1.296 101 L HN -0.128 nan 8.230 nan 0.000 0.427 102 R N 1.262 121.794 120.500 0.053 0.000 2.774 102 R HA 0.479 4.819 4.340 0.001 0.000 0.272 102 R C -2.732 173.601 176.300 0.055 0.000 1.000 102 R CA -2.500 53.643 56.100 0.071 0.000 0.906 102 R CB 1.748 32.083 30.300 0.058 0.000 1.227 102 R HN 0.200 nan 8.270 nan 0.000 0.468 103 P HA 0.019 nan 4.420 nan 0.000 0.263 103 P C 0.658 177.975 177.300 0.030 0.000 1.175 103 P CA 1.419 64.552 63.100 0.056 0.000 0.761 103 P CB 0.406 32.148 31.700 0.071 0.000 0.794 104 G N 1.745 110.554 108.800 0.014 0.000 2.258 104 G HA2 -0.182 3.778 3.960 0.001 0.000 0.233 104 G HA3 -0.182 3.778 3.960 0.001 0.000 0.233 104 G C 0.048 174.947 174.900 -0.002 0.000 1.006 104 G CA -0.263 44.841 45.100 0.006 0.000 0.620 104 G HN 0.507 nan 8.290 nan 0.000 0.511 105 D N 0.914 121.312 120.400 -0.003 0.000 2.344 105 D HA 0.540 5.180 4.640 0.001 0.000 0.244 105 D C 0.282 176.563 176.300 -0.033 0.000 1.134 105 D CA 0.115 54.108 54.000 -0.011 0.000 0.930 105 D CB 1.282 42.077 40.800 -0.008 0.000 1.175 105 D HN 0.483 nan 8.370 nan 0.000 0.437 106 E N 0.416 120.595 120.200 -0.035 0.000 2.222 106 E HA 0.500 4.850 4.350 0.001 0.000 0.267 106 E C -1.699 174.865 176.600 -0.060 0.000 0.884 106 E CA -0.832 55.536 56.400 -0.054 0.000 0.764 106 E CB 2.160 31.835 29.700 -0.041 0.000 1.169 106 E HN 0.136 nan 8.360 nan 0.000 0.413 107 V N 6.301 126.158 119.914 -0.095 0.000 2.487 107 V HA 0.429 4.550 4.120 0.001 0.000 0.298 107 V C -0.985 175.055 176.094 -0.091 0.000 1.028 107 V CA -0.629 61.619 62.300 -0.086 0.000 0.860 107 V CB 1.328 33.073 31.823 -0.131 0.000 0.991 107 V HN 0.681 nan 8.190 nan 0.000 0.427 108 L N 7.428 128.632 121.223 -0.032 0.000 2.276 108 L HA 0.549 4.889 4.340 0.001 0.000 0.286 108 L C -0.563 176.324 176.870 0.029 0.000 1.061 108 L CA -0.347 54.479 54.840 -0.024 0.000 0.807 108 L CB 1.355 43.415 42.059 0.001 0.000 1.177 108 L HN 0.490 nan 8.230 nan 0.000 0.429 109 L N 1.981 123.187 121.223 -0.030 0.000 2.333 109 L HA 0.625 4.965 4.340 0.001 0.000 0.269 109 L C 0.760 177.751 176.870 0.202 0.000 1.010 109 L CA -0.717 54.167 54.840 0.073 0.000 0.818 109 L CB 1.675 43.628 42.059 -0.176 0.000 1.306 109 L HN 0.591 nan 8.230 nan 0.000 0.430 110 G N 0.134 109.127 108.800 0.320 0.000 2.554 110 G HA2 -0.005 3.956 3.960 0.001 0.000 0.238 110 G HA3 -0.005 3.956 3.960 0.001 0.000 0.238 110 G C 0.594 175.731 174.900 0.395 0.000 1.259 110 G CA -0.346 44.931 45.100 0.295 0.000 0.843 110 G HN 0.756 nan 8.290 nan 0.000 0.582 111 N N -0.631 118.234 118.700 0.275 0.000 2.149 111 N HA -0.092 4.649 4.740 0.001 0.000 0.188 111 N C 1.361 176.974 175.510 0.171 0.000 1.019 111 N CA 1.630 54.807 53.050 0.211 0.000 0.857 111 N CB -0.087 38.434 38.487 0.055 0.000 0.997 111 N HN 0.702 nan 8.380 nan 0.000 0.426 112 T N -1.310 113.370 114.554 0.209 0.000 2.841 112 T HA 0.719 5.069 4.350 0.001 0.000 0.283 112 T C -0.211 174.665 174.700 0.294 0.000 1.000 112 T CA -0.826 61.398 62.100 0.206 0.000 0.977 112 T CB 1.894 70.836 68.868 0.125 0.000 0.979 112 T HN -0.103 nan 8.240 nan 0.000 0.446 113 L N 1.669 123.112 121.223 0.366 0.000 2.303 113 L HA 0.550 4.891 4.340 0.001 0.000 0.256 113 L C -0.587 176.509 176.870 0.378 0.000 1.034 113 L CA -1.788 53.299 54.840 0.413 0.000 0.832 113 L CB 1.852 44.245 42.059 0.557 0.000 1.403 113 L HN 0.771 nan 8.230 nan 0.000 0.419 114 Y N 0.200 120.654 120.300 0.256 0.000 2.610 114 Y HA 0.070 4.620 4.550 0.001 0.000 0.332 114 Y C 1.321 177.374 175.900 0.255 0.000 1.201 114 Y CA 0.742 58.971 58.100 0.215 0.000 1.465 114 Y CB 1.505 40.079 38.460 0.190 0.000 1.283 114 Y HN 0.712 nan 8.280 nan 0.000 0.563 115 G N 3.400 111.954 108.800 -0.411 0.000 2.649 115 G HA2 -0.371 3.589 3.960 0.001 0.000 0.220 115 G HA3 -0.371 3.589 3.960 0.001 0.000 0.220 115 G C 1.437 176.283 174.900 -0.090 0.000 1.189 115 G CA 1.359 46.290 45.100 -0.283 0.000 0.777 115 G HN 0.828 nan 8.290 nan 0.000 0.602 116 C N 0.346 119.509 119.300 -0.228 0.000 2.432 116 C HA 0.052 4.513 4.460 0.001 0.000 0.280 116 C C 3.206 178.403 174.990 0.346 0.000 1.353 116 C CA 1.368 60.480 59.018 0.156 0.000 1.766 116 C CB -1.062 26.847 27.740 0.281 0.000 1.924 116 C HN 0.487 nan 8.230 nan 0.000 0.509 117 T N 0.763 115.592 114.554 0.458 0.000 2.812 117 T HA -0.128 4.223 4.350 0.001 0.000 0.264 117 T C 1.509 176.451 174.700 0.403 0.000 1.042 117 T CA 1.255 63.609 62.100 0.424 0.000 1.140 117 T CB -0.398 68.738 68.868 0.447 0.000 0.870 117 T HN 0.526 nan 8.240 nan 0.000 0.445 118 F N 2.332 122.467 119.950 0.308 0.000 2.134 118 F HA -0.016 4.512 4.527 0.001 0.000 0.299 118 F C 2.435 178.470 175.800 0.393 0.000 1.097 118 F CA 0.979 59.205 58.000 0.377 0.000 1.264 118 F CB -0.611 38.592 39.000 0.338 0.000 1.001 118 F HN 0.139 nan 8.300 nan 0.000 0.479 119 A N 0.076 123.246 122.820 0.583 0.000 1.902 119 A HA -0.217 4.104 4.320 0.001 0.000 0.217 119 A C 2.260 180.077 177.584 0.387 0.000 1.181 119 A CA 1.567 53.899 52.037 0.491 0.000 0.623 119 A CB -1.683 17.494 19.000 0.295 0.000 0.818 119 A HN 0.601 nan 8.150 nan 0.000 0.443 120 F N 0.436 120.479 119.950 0.155 0.000 2.095 120 F HA -0.208 4.320 4.527 0.001 0.000 0.298 120 F C 1.919 177.682 175.800 -0.061 0.000 1.104 120 F CA 1.776 59.801 58.000 0.041 0.000 1.232 120 F CB -0.138 38.839 39.000 -0.038 0.000 0.987 120 F HN 0.171 nan 8.300 nan 0.000 0.475 121 L N -0.292 120.706 121.223 -0.375 0.000 1.976 121 L HA -0.252 4.089 4.340 0.001 0.000 0.209 121 L C 2.640 179.164 176.870 -0.576 0.000 1.071 121 L CA 1.420 55.858 54.840 -0.670 0.000 0.746 121 L CB -1.061 40.645 42.059 -0.589 0.000 0.890 121 L HN 0.230 nan 8.230 nan 0.000 0.432 122 H N -1.574 117.308 119.070 -0.313 0.000 2.436 122 H HA -0.047 4.509 4.556 0.001 0.000 0.294 122 H C 1.412 176.553 175.328 -0.312 0.000 1.048 122 H CA 1.339 57.197 56.048 -0.317 0.000 1.353 122 H CB 0.219 29.756 29.762 -0.376 0.000 1.414 122 H HN 0.487 nan 8.280 nan 0.000 0.536 123 H N -1.125 117.995 119.070 0.083 0.000 2.755 123 H HA 0.213 4.769 4.556 0.001 0.000 0.273 123 H C 1.583 176.986 175.328 0.125 0.000 1.055 123 H CA 0.333 56.445 56.048 0.108 0.000 1.191 123 H CB 0.962 30.815 29.762 0.153 0.000 1.536 123 H HN 0.301 nan 8.280 nan 0.000 0.529 124 G N -0.025 108.864 108.800 0.150 0.000 2.727 124 G HA2 0.025 3.985 3.960 0.001 0.000 0.212 124 G HA3 0.025 3.985 3.960 0.001 0.000 0.212 124 G C 1.239 176.254 174.900 0.192 0.000 2.076 124 G CA -0.039 45.203 45.100 0.237 0.000 0.744 124 G HN 0.273 nan 8.290 nan 0.000 0.775 125 I N 1.404 121.731 120.570 -0.404 0.000 2.264 125 I HA -0.060 4.110 4.170 0.001 0.000 0.248 125 I C 2.554 178.579 176.117 -0.152 0.000 1.111 125 I CA 1.769 62.808 61.300 -0.435 0.000 1.382 125 I CB -0.222 37.032 38.000 -1.243 0.000 1.060 125 I HN 0.311 nan 8.210 nan 0.000 0.418 126 G N -0.059 108.557 108.800 -0.306 0.000 2.462 126 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 126 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 126 G C 1.377 176.213 174.900 -0.107 0.000 1.121 126 G CA 0.588 45.542 45.100 -0.243 0.000 0.758 126 G HN 0.536 nan 8.290 nan 0.000 0.559 127 E N -0.709 119.472 120.200 -0.033 0.000 2.489 127 E HA 0.118 4.468 4.350 0.001 0.000 0.193 127 E C 0.061 176.525 176.600 -0.227 0.000 1.057 127 E CA -0.216 56.113 56.400 -0.117 0.000 0.866 127 E CB 0.072 29.684 29.700 -0.146 0.000 0.916 127 E HN 0.507 nan 8.360 nan 0.000 0.500 128 F N 0.135 120.090 119.950 0.009 0.000 2.923 128 F HA 0.296 4.823 4.527 0.001 0.000 0.314 128 F C 1.293 177.109 175.800 0.027 0.000 1.196 128 F CA -0.112 57.924 58.000 0.060 0.000 1.320 128 F CB 1.085 40.192 39.000 0.178 0.000 0.953 128 F HN 0.012 nan 8.300 nan 0.000 0.505 129 G N -0.040 108.807 108.800 0.078 0.000 2.176 129 G HA2 -0.249 3.711 3.960 0.001 0.000 0.253 129 G HA3 -0.249 3.711 3.960 0.001 0.000 0.253 129 G C -0.069 174.841 174.900 0.017 0.000 0.979 129 G CA 0.033 45.158 45.100 0.042 0.000 0.641 129 G HN 0.172 nan 8.290 nan 0.000 0.530 130 V N 1.399 121.311 119.914 -0.004 0.000 2.432 130 V HA 0.435 4.556 4.120 0.001 0.000 0.275 130 V C 0.832 176.861 176.094 -0.108 0.000 1.043 130 V CA -0.460 61.803 62.300 -0.061 0.000 0.925 130 V CB 1.665 33.422 31.823 -0.110 0.000 0.985 130 V HN 0.387 nan 8.190 nan 0.000 0.466 131 K N 5.386 125.728 120.400 -0.096 0.000 2.276 131 K HA 0.538 4.858 4.320 0.001 0.000 0.283 131 K C -1.137 175.370 176.600 -0.156 0.000 1.044 131 K CA -0.381 55.842 56.287 -0.107 0.000 0.944 131 K CB 0.503 32.961 32.500 -0.070 0.000 1.012 131 K HN 0.584 nan 8.250 nan 0.000 0.472 132 L N 4.378 125.487 121.223 -0.190 0.000 2.346 132 L HA 0.606 4.946 4.340 0.001 0.000 0.276 132 L C -0.253 176.502 176.870 -0.192 0.000 1.006 132 L CA -0.951 53.729 54.840 -0.266 0.000 0.817 132 L CB 1.890 43.681 42.059 -0.447 0.000 1.272 132 L HN 0.628 nan 8.230 nan 0.000 0.421 133 R N 1.517 121.891 120.500 -0.210 0.000 2.522 133 R HA 0.370 4.710 4.340 0.001 0.000 0.283 133 R C -1.369 174.841 176.300 -0.150 0.000 1.074 133 R CA -0.659 55.373 56.100 -0.114 0.000 0.925 133 R CB 1.389 31.657 30.300 -0.053 0.000 1.205 133 R HN 0.656 nan 8.270 nan 0.000 0.436 134 H N 2.793 121.891 119.070 0.046 0.000 2.548 134 H HA 0.416 4.972 4.556 0.001 0.000 0.331 134 H C -0.422 174.931 175.328 0.041 0.000 1.093 134 H CA -0.139 55.953 56.048 0.073 0.000 1.367 134 H CB 1.793 31.625 29.762 0.117 0.000 1.455 134 H HN 0.202 nan 8.280 nan 0.000 0.519 135 V N 2.238 122.237 119.914 0.141 0.000 3.049 135 V HA -0.004 4.117 4.120 0.001 0.000 0.309 135 V C -0.110 176.018 176.094 0.057 0.000 1.148 135 V CA -1.046 61.294 62.300 0.067 0.000 0.990 135 V CB 2.739 34.572 31.823 0.018 0.000 1.039 135 V HN 0.702 nan 8.190 nan 0.000 0.430 136 D N 3.379 123.794 120.400 0.025 0.000 2.344 136 D HA 0.124 4.765 4.640 0.001 0.000 0.253 136 D C 0.887 177.186 176.300 -0.002 0.000 1.255 136 D CA -0.221 53.799 54.000 0.032 0.000 0.894 136 D CB 1.136 41.943 40.800 0.013 0.000 1.067 136 D HN 0.336 nan 8.370 nan 0.000 0.492 137 M N 3.007 122.577 119.600 -0.049 0.000 2.700 137 M HA -0.019 4.462 4.480 0.001 0.000 0.249 137 M C 1.439 177.599 176.300 -0.234 0.000 1.082 137 M CA 0.305 55.456 55.300 -0.249 0.000 1.077 137 M CB -0.799 31.441 32.600 -0.600 0.000 1.477 137 M HN 0.470 nan 8.290 nan 0.000 0.529 138 A N -0.883 121.894 122.820 -0.072 0.000 2.169 138 A HA 0.025 4.346 4.320 0.001 0.000 0.210 138 A C 0.739 178.296 177.584 -0.045 0.000 1.168 138 A CA 0.160 52.147 52.037 -0.084 0.000 0.813 138 A CB 0.014 18.999 19.000 -0.026 0.000 0.861 138 A HN 0.295 nan 8.150 nan 0.000 0.481 139 D N 0.748 121.132 120.400 -0.027 0.000 2.500 139 D HA 0.332 4.972 4.640 0.001 0.000 0.219 139 D C 0.994 177.266 176.300 -0.046 0.000 1.137 139 D CA -0.261 53.723 54.000 -0.027 0.000 0.946 139 D CB 0.110 40.901 40.800 -0.015 0.000 1.022 139 D HN 0.269 nan 8.370 nan 0.000 0.518 140 L N 2.018 123.211 121.223 -0.050 0.000 2.187 140 L HA -0.209 4.131 4.340 0.001 0.000 0.213 140 L C 2.243 179.088 176.870 -0.041 0.000 1.100 140 L CA 1.043 55.852 54.840 -0.051 0.000 0.765 140 L CB -0.180 41.855 42.059 -0.041 0.000 0.904 140 L HN 0.413 nan 8.230 nan 0.000 0.437 141 Q N -0.278 119.504 119.800 -0.031 0.000 2.049 141 Q HA -0.133 4.208 4.340 0.001 0.000 0.198 141 Q C 2.525 178.506 176.000 -0.031 0.000 0.971 141 Q CA 1.455 57.244 55.803 -0.025 0.000 0.833 141 Q CB -0.190 28.537 28.738 -0.017 0.000 0.896 141 Q HN 0.556 nan 8.270 nan 0.000 0.434 142 A N 1.338 124.140 122.820 -0.032 0.000 1.902 142 A HA -0.167 4.154 4.320 0.001 0.000 0.217 142 A C 2.011 179.569 177.584 -0.043 0.000 1.181 142 A CA 0.914 52.932 52.037 -0.031 0.000 0.623 142 A CB -0.731 18.254 19.000 -0.025 0.000 0.818 142 A HN 0.386 nan 8.150 nan 0.000 0.443 143 L N 0.014 121.205 121.223 -0.055 0.000 2.012 143 L HA -0.203 4.138 4.340 0.001 0.000 0.210 143 L C 2.257 179.066 176.870 -0.102 0.000 1.073 143 L CA 2.874 57.671 54.840 -0.072 0.000 0.748 143 L CB -1.023 40.986 42.059 -0.084 0.000 0.891 143 L HN 0.677 nan 8.230 nan 0.000 0.431 144 E N -0.340 119.795 120.200 -0.107 0.000 2.077 144 E HA -0.193 4.158 4.350 0.001 0.000 0.193 144 E C 2.092 178.616 176.600 -0.127 0.000 0.989 144 E CA 1.262 57.564 56.400 -0.163 0.000 0.800 144 E CB -0.044 29.602 29.700 -0.090 0.000 0.746 144 E HN 0.587 nan 8.360 nan 0.000 0.452 145 A N 0.640 123.420 122.820 -0.067 0.000 2.076 145 A HA -0.069 4.252 4.320 0.001 0.000 0.220 145 A C 2.183 179.741 177.584 -0.045 0.000 1.160 145 A CA 1.589 53.602 52.037 -0.040 0.000 0.653 145 A CB -0.454 18.531 19.000 -0.025 0.000 0.801 145 A HN 0.376 nan 8.150 nan 0.000 0.455 146 A N -1.469 121.314 122.820 -0.061 0.000 2.238 146 A HA 0.394 4.715 4.320 0.001 0.000 0.210 146 A C 0.881 178.425 177.584 -0.067 0.000 1.179 146 A CA -0.106 51.900 52.037 -0.051 0.000 0.827 146 A CB -0.202 18.773 19.000 -0.041 0.000 0.856 146 A HN 0.372 nan 8.150 nan 0.000 0.488 147 M N 1.771 121.299 119.600 -0.119 0.000 2.219 147 M HA 0.238 4.719 4.480 0.001 0.000 0.353 147 M C 0.442 176.718 176.300 -0.040 0.000 1.304 147 M CA 0.540 55.754 55.300 -0.143 0.000 1.115 147 M CB -0.030 32.312 32.600 -0.430 0.000 1.664 147 M HN 0.451 nan 8.290 nan 0.000 0.459 148 T N 0.354 114.907 114.554 -0.001 0.000 2.887 148 T HA 0.620 4.971 4.350 0.001 0.000 0.292 148 T C -2.160 172.569 174.700 0.047 0.000 1.087 148 T CA -1.387 60.730 62.100 0.028 0.000 1.009 148 T CB 2.184 71.056 68.868 0.008 0.000 1.203 148 T HN 0.456 nan 8.240 nan 0.000 0.518 149 P HA 0.065 nan 4.420 nan 0.000 0.228 149 P C 1.155 178.472 177.300 0.029 0.000 1.151 149 P CA 0.685 63.810 63.100 0.042 0.000 0.770 149 P CB -0.228 31.491 31.700 0.031 0.000 0.786 150 A N -0.485 122.347 122.820 0.019 0.000 2.132 150 A HA 0.095 4.415 4.320 0.001 0.000 0.213 150 A C 1.079 178.667 177.584 0.006 0.000 1.154 150 A CA 0.364 52.407 52.037 0.009 0.000 0.753 150 A CB -1.172 17.828 19.000 0.000 0.000 0.826 150 A HN 0.129 nan 8.150 nan 0.000 0.469 151 T N 0.668 115.228 114.554 0.010 0.000 2.758 151 T HA 0.140 4.490 4.350 0.001 0.000 0.281 151 T C 1.063 175.773 174.700 0.017 0.000 0.963 151 T CA 0.486 62.589 62.100 0.006 0.000 1.201 151 T CB 0.736 69.606 68.868 0.004 0.000 0.906 151 T HN 0.363 nan 8.240 nan 0.000 0.528 152 R N 2.702 123.207 120.500 0.009 0.000 2.221 152 R HA 0.321 4.661 4.340 0.001 0.000 0.195 152 R C -0.091 176.223 176.300 0.023 0.000 0.956 152 R CA 0.484 56.594 56.100 0.017 0.000 1.064 152 R CB 0.655 30.960 30.300 0.010 0.000 1.049 152 R HN 0.513 nan 8.270 nan 0.000 0.534 153 V N 0.904 120.828 119.914 0.018 0.000 2.925 153 V HA 0.454 4.575 4.120 0.001 0.000 0.311 153 V C -0.773 175.356 176.094 0.060 0.000 1.104 153 V CA -0.898 61.425 62.300 0.038 0.000 0.954 153 V CB 2.537 34.377 31.823 0.028 0.000 1.022 153 V HN -0.021 nan 8.190 nan 0.000 0.427 154 I N 3.756 124.387 120.570 0.101 0.000 2.410 154 I HA 0.472 4.642 4.170 0.001 0.000 0.286 154 I C -1.484 174.761 176.117 0.213 0.000 1.009 154 I CA -0.562 60.835 61.300 0.162 0.000 1.111 154 I CB 1.507 39.615 38.000 0.180 0.000 1.262 154 I HN 0.676 nan 8.210 nan 0.000 0.443 155 Y N 8.902 129.265 120.300 0.106 0.000 2.391 155 Y HA 0.730 5.281 4.550 0.001 0.000 0.341 155 Y C -1.238 174.764 175.900 0.170 0.000 0.965 155 Y CA -0.929 57.179 58.100 0.014 0.000 1.067 155 Y CB 1.459 39.905 38.460 -0.023 0.000 1.199 155 Y HN 0.470 nan 8.280 nan 0.000 0.450 156 F N 1.369 120.976 119.950 -0.572 0.000 2.773 156 F HA 0.638 5.165 4.527 0.001 0.000 0.314 156 F C -1.843 173.691 175.800 -0.443 0.000 1.160 156 F CA -1.317 56.479 58.000 -0.341 0.000 0.920 156 F CB 1.154 40.088 39.000 -0.110 0.000 1.323 156 F HN 0.373 nan 8.300 nan 0.000 0.457 157 E N 0.368 120.559 120.200 -0.015 0.000 2.221 157 E HA 0.646 4.997 4.350 0.001 0.000 0.268 157 E C -1.400 175.254 176.600 0.090 0.000 0.933 157 E CA -1.285 55.055 56.400 -0.101 0.000 0.809 157 E CB 2.036 31.673 29.700 -0.106 0.000 1.190 157 E HN 0.655 nan 8.360 nan 0.000 0.406 158 S N 2.438 118.145 115.700 0.012 0.000 2.653 158 S HA 0.298 4.768 4.470 0.001 0.000 0.268 158 S C -2.775 171.843 174.600 0.031 0.000 1.153 158 S CA -1.309 56.931 58.200 0.066 0.000 1.036 158 S CB 0.847 64.149 63.200 0.169 0.000 1.103 158 S HN 0.279 nan 8.310 nan 0.000 0.466 159 P HA 0.363 nan 4.420 nan 0.000 0.272 159 P C -0.853 176.432 177.300 -0.025 0.000 1.230 159 P CA -0.419 62.725 63.100 0.073 0.000 0.788 159 P CB 0.616 32.414 31.700 0.163 0.000 0.949 160 A N 1.970 124.822 122.820 0.054 0.000 2.290 160 A HA 0.224 4.545 4.320 0.001 0.000 0.310 160 A C 1.360 178.982 177.584 0.064 0.000 1.202 160 A CA -0.711 51.343 52.037 0.029 0.000 0.837 160 A CB -0.537 18.548 19.000 0.141 0.000 1.139 160 A HN 0.620 nan 8.150 nan 0.000 0.509 161 N N 2.969 121.673 118.700 0.007 0.000 2.161 161 N HA -0.263 4.478 4.740 0.001 0.000 0.199 161 N C -0.796 174.819 175.510 0.175 0.000 0.990 161 N CA 2.136 55.288 53.050 0.171 0.000 0.902 161 N CB -1.435 37.175 38.487 0.205 0.000 1.074 161 N HN 0.635 nan 8.380 nan 0.000 0.556 162 P HA -0.174 nan 4.420 nan 0.000 0.206 162 P C -0.133 177.154 177.300 -0.022 0.000 1.142 162 P CA 2.173 65.291 63.100 0.031 0.000 0.946 162 P CB -0.206 31.501 31.700 0.011 0.000 0.777 163 N N -3.061 115.611 118.700 -0.047 0.000 2.517 163 N HA 0.372 5.112 4.740 0.001 0.000 0.285 163 N C -0.170 175.424 175.510 0.141 0.000 1.528 163 N CA -0.464 52.467 53.050 -0.199 0.000 0.892 163 N CB 0.185 38.241 38.487 -0.718 0.000 1.356 163 N HN -0.198 nan 8.380 nan 0.000 0.495 164 M N -0.794 118.948 119.600 0.237 0.000 2.872 164 M HA -0.210 4.271 4.480 0.001 0.000 0.200 164 M C -0.392 176.153 176.300 0.408 0.000 0.582 164 M CA 0.395 55.896 55.300 0.335 0.000 0.706 164 M CB -2.792 30.020 32.600 0.355 0.000 2.560 164 M HN 0.635 nan 8.290 nan 0.000 0.476 165 H N 0.861 120.046 119.070 0.192 0.000 3.070 165 H HA 0.334 4.890 4.556 0.001 0.000 0.313 165 H C 0.325 175.726 175.328 0.123 0.000 0.997 165 H CA 0.871 56.994 56.048 0.126 0.000 1.438 165 H CB 0.529 30.321 29.762 0.051 0.000 1.455 165 H HN 0.275 nan 8.280 nan 0.000 0.575 166 M N 3.369 122.750 119.600 -0.365 0.000 2.444 166 M HA 0.487 4.968 4.480 0.001 0.000 0.319 166 M C 0.082 176.092 176.300 -0.483 0.000 1.183 166 M CA -0.771 54.369 55.300 -0.266 0.000 1.032 166 M CB 1.458 34.007 32.600 -0.085 0.000 1.569 166 M HN 0.710 nan 8.290 nan 0.000 0.468 167 A N 0.902 123.565 122.820 -0.262 0.000 2.374 167 A HA 0.449 4.770 4.320 0.001 0.000 0.317 167 A C -0.744 176.719 177.584 -0.202 0.000 1.094 167 A CA -0.622 51.219 52.037 -0.327 0.000 0.765 167 A CB 0.947 19.618 19.000 -0.548 0.000 1.268 167 A HN 0.759 nan 8.150 nan 0.000 0.438 168 D N 2.731 123.011 120.400 -0.201 0.000 2.483 168 D HA 0.209 4.850 4.640 0.001 0.000 0.220 168 D C 1.080 177.334 176.300 -0.076 0.000 1.173 168 D CA -0.104 53.831 54.000 -0.108 0.000 0.964 168 D CB 0.024 40.769 40.800 -0.091 0.000 1.046 168 D HN 0.456 nan 8.370 nan 0.000 0.517 169 I N 2.265 122.836 120.570 0.002 0.000 2.151 169 I HA -0.327 3.844 4.170 0.001 0.000 0.243 169 I C 2.395 178.552 176.117 0.067 0.000 1.080 169 I CA 1.276 62.638 61.300 0.104 0.000 1.339 169 I CB -0.153 37.928 38.000 0.134 0.000 1.039 169 I HN 0.366 nan 8.210 nan 0.000 0.409 170 A N 0.875 123.713 122.820 0.031 0.000 1.933 170 A HA -0.102 4.219 4.320 0.001 0.000 0.218 170 A C 2.419 180.013 177.584 0.016 0.000 1.175 170 A CA 1.837 53.888 52.037 0.024 0.000 0.628 170 A CB -1.355 17.651 19.000 0.011 0.000 0.814 170 A HN 0.488 nan 8.150 nan 0.000 0.444 171 G N -0.261 108.537 108.800 -0.003 0.000 2.433 171 G HA2 -0.141 3.819 3.960 0.001 0.000 0.216 171 G HA3 -0.141 3.819 3.960 0.001 0.000 0.216 171 G C 1.682 176.576 174.900 -0.009 0.000 1.186 171 G CA 1.824 46.916 45.100 -0.013 0.000 0.779 171 G HN 1.041 nan 8.290 nan 0.000 0.543 172 V N -0.028 119.874 119.914 -0.021 0.000 2.515 172 V HA 0.145 4.266 4.120 0.001 0.000 0.250 172 V C 2.863 178.986 176.094 0.049 0.000 1.058 172 V CA 2.012 64.307 62.300 -0.008 0.000 1.064 172 V CB -0.705 31.090 31.823 -0.046 0.000 0.675 172 V HN 0.426 nan 8.190 nan 0.000 0.461 173 A N 0.521 123.381 122.820 0.067 0.000 1.902 173 A HA -0.230 4.091 4.320 0.001 0.000 0.217 173 A C 2.397 180.015 177.584 0.057 0.000 1.181 173 A CA 2.310 54.389 52.037 0.070 0.000 0.623 173 A CB -0.736 18.302 19.000 0.063 0.000 0.818 173 A HN 0.670 nan 8.150 nan 0.000 0.443 174 K N -0.278 120.149 120.400 0.045 0.000 2.032 174 K HA -0.132 4.188 4.320 0.001 0.000 0.209 174 K C 1.874 178.515 176.600 0.069 0.000 1.048 174 K CA 1.777 58.092 56.287 0.046 0.000 0.927 174 K CB -0.351 32.169 32.500 0.033 0.000 0.712 174 K HN 0.507 nan 8.250 nan 0.000 0.441 175 I N 1.026 121.636 120.570 0.067 0.000 2.163 175 I HA -0.278 3.893 4.170 0.001 0.000 0.243 175 I C 2.517 178.725 176.117 0.152 0.000 1.085 175 I CA 1.296 62.658 61.300 0.102 0.000 1.347 175 I CB -0.431 37.575 38.000 0.009 0.000 1.044 175 I HN 0.276 nan 8.210 nan 0.000 0.408 176 A N 0.530 123.404 122.820 0.090 0.000 1.978 176 A HA -0.254 4.066 4.320 0.001 0.000 0.220 176 A C 2.439 180.090 177.584 0.111 0.000 1.170 176 A CA 1.766 53.861 52.037 0.096 0.000 0.636 176 A CB -0.667 18.381 19.000 0.080 0.000 0.810 176 A HN 0.368 nan 8.150 nan 0.000 0.448 177 R N -0.227 120.328 120.500 0.092 0.000 2.090 177 R HA -0.055 4.285 4.340 0.001 0.000 0.228 177 R C 1.822 178.160 176.300 0.063 0.000 1.110 177 R CA 1.488 57.628 56.100 0.067 0.000 0.973 177 R CB -0.154 30.176 30.300 0.049 0.000 0.869 177 R HN 0.492 nan 8.270 nan 0.000 0.440 178 K N -1.170 119.287 120.400 0.095 0.000 2.296 178 K HA -0.083 4.237 4.320 0.001 0.000 0.200 178 K C 0.778 177.304 176.600 -0.123 0.000 1.048 178 K CA 0.975 57.268 56.287 0.010 0.000 0.966 178 K CB 0.164 32.684 32.500 0.034 0.000 0.754 178 K HN 0.358 nan 8.250 nan 0.000 0.466 179 H N -1.352 117.725 119.070 0.012 0.000 2.755 179 H HA 0.196 4.753 4.556 0.001 0.000 0.273 179 H C 0.527 175.862 175.328 0.013 0.000 1.055 179 H CA 0.328 56.383 56.048 0.011 0.000 1.191 179 H CB 1.317 31.085 29.762 0.011 0.000 1.536 179 H HN 0.276 nan 8.280 nan 0.000 0.529 180 G N 0.683 109.545 108.800 0.104 0.000 2.256 180 G HA2 -0.109 3.852 3.960 0.001 0.000 0.272 180 G HA3 -0.109 3.852 3.960 0.001 0.000 0.272 180 G C 0.076 175.017 174.900 0.068 0.000 1.076 180 G CA 0.230 45.370 45.100 0.067 0.000 0.882 180 G HN 0.678 nan 8.290 nan 0.000 0.497 181 A N -0.428 122.439 122.820 0.077 0.000 2.337 181 A HA 0.899 5.220 4.320 0.001 0.000 0.331 181 A C 0.444 178.062 177.584 0.056 0.000 1.137 181 A CA 0.138 52.212 52.037 0.061 0.000 0.807 181 A CB 1.200 20.236 19.000 0.060 0.000 1.250 181 A HN 0.733 nan 8.150 nan 0.000 0.468 182 T N 1.637 116.220 114.554 0.048 0.000 2.749 182 T HA 0.417 4.768 4.350 0.001 0.000 0.295 182 T C -0.125 174.605 174.700 0.050 0.000 0.936 182 T CA -0.059 62.068 62.100 0.044 0.000 1.060 182 T CB 0.555 69.446 68.868 0.038 0.000 0.904 182 T HN 0.390 nan 8.240 nan 0.000 0.500 183 V N 5.094 125.033 119.914 0.043 0.000 2.383 183 V HA 0.323 4.443 4.120 0.001 0.000 0.275 183 V C 0.052 176.120 176.094 -0.042 0.000 1.036 183 V CA -0.582 61.737 62.300 0.032 0.000 0.889 183 V CB 1.231 33.090 31.823 0.060 0.000 0.985 183 V HN 0.661 nan 8.190 nan 0.000 0.459 184 V N 6.179 126.036 119.914 -0.095 0.000 2.378 184 V HA 0.468 4.589 4.120 0.001 0.000 0.288 184 V C -0.198 175.587 176.094 -0.516 0.000 1.016 184 V CA -0.547 61.666 62.300 -0.145 0.000 0.840 184 V CB 1.844 33.730 31.823 0.107 0.000 0.994 184 V HN 0.593 nan 8.190 nan 0.000 0.431 185 V N 3.462 123.055 119.914 -0.535 0.000 2.417 185 V HA 0.396 4.516 4.120 0.001 0.000 0.291 185 V C -0.201 175.566 176.094 -0.545 0.000 1.024 185 V CA -0.614 61.218 62.300 -0.781 0.000 0.861 185 V CB 2.006 33.461 31.823 -0.612 0.000 0.985 185 V HN 0.870 nan 8.190 nan 0.000 0.436 186 D N 3.983 124.025 120.400 -0.596 0.000 2.352 186 D HA 0.056 4.696 4.640 0.001 0.000 0.245 186 D C 0.505 176.613 176.300 -0.321 0.000 1.224 186 D CA 0.306 54.083 54.000 -0.372 0.000 0.879 186 D CB 0.562 41.197 40.800 -0.275 0.000 1.057 186 D HN 0.669 nan 8.370 nan 0.000 0.491 187 N N 2.679 121.142 118.700 -0.395 0.000 2.251 187 N HA -0.018 4.723 4.740 0.001 0.000 0.217 187 N C 0.731 176.198 175.510 -0.071 0.000 1.124 187 N CA -0.176 52.707 53.050 -0.279 0.000 0.843 187 N CB 0.482 38.772 38.487 -0.327 0.000 1.024 187 N HN 0.282 nan 8.380 nan 0.000 0.501 188 T N 0.327 114.884 114.554 0.006 0.000 2.624 188 T HA -0.191 4.160 4.350 0.001 0.000 0.268 188 T C 1.217 176.212 174.700 0.492 0.000 1.041 188 T CA 1.400 63.683 62.100 0.304 0.000 1.159 188 T CB -0.342 68.668 68.868 0.238 0.000 0.863 188 T HN 0.325 nan 8.240 nan 0.000 0.434 189 Y N 0.724 121.130 120.300 0.178 0.000 2.128 189 Y HA -0.142 4.409 4.550 0.001 0.000 0.284 189 Y C 2.953 178.938 175.900 0.142 0.000 1.154 189 Y CA -0.218 58.024 58.100 0.237 0.000 1.149 189 Y CB -1.202 37.353 38.460 0.158 0.000 0.976 189 Y HN 0.315 nan 8.280 nan 0.000 0.505 190 C N -1.158 118.286 119.300 0.240 0.000 2.492 190 C HA 0.130 4.590 4.460 0.001 0.000 0.279 190 C C 1.037 176.064 174.990 0.061 0.000 1.335 190 C CA 0.942 60.005 59.018 0.075 0.000 1.734 190 C CB -1.284 26.490 27.740 0.056 0.000 2.027 190 C HN 0.790 nan 8.230 nan 0.000 0.496 191 T N -2.140 112.538 114.554 0.208 0.000 0.541 191 T HA -0.134 4.216 4.350 0.001 0.000 0.774 191 T C -2.253 172.583 174.700 0.226 0.000 0.992 191 T CA 0.077 62.325 62.100 0.247 0.000 4.077 191 T CB -1.704 67.249 68.868 0.142 0.000 2.303 191 T HN 0.135 nan 8.240 nan 0.000 0.398 192 P HA -0.001 nan 4.420 nan 0.000 0.222 192 P C 1.306 178.743 177.300 0.228 0.000 1.147 192 P CA 1.176 64.441 63.100 0.276 0.000 0.790 192 P CB -0.186 31.705 31.700 0.319 0.000 0.780 193 Y N 0.132 120.394 120.300 -0.063 0.000 2.293 193 Y HA -0.075 4.475 4.550 0.001 0.000 0.291 193 Y C 1.756 177.453 175.900 -0.338 0.000 1.137 193 Y CA 1.422 59.168 58.100 -0.590 0.000 1.202 193 Y CB -0.596 37.483 38.460 -0.636 0.000 0.990 193 Y HN -0.149 nan 8.280 nan 0.000 0.537 194 L N -0.768 120.317 121.223 -0.230 0.000 2.425 194 L HA 0.156 4.497 4.340 0.001 0.000 0.215 194 L C 0.350 177.125 176.870 -0.157 0.000 1.065 194 L CA 0.295 54.972 54.840 -0.272 0.000 0.842 194 L CB 0.260 42.214 42.059 -0.174 0.000 1.033 194 L HN 0.040 nan 8.230 nan 0.000 0.474 195 Q N 0.400 120.164 119.800 -0.060 0.000 2.309 195 Q HA 0.380 4.720 4.340 0.001 0.000 0.273 195 Q C -1.149 174.869 176.000 0.030 0.000 1.040 195 Q CA -0.580 55.209 55.803 -0.022 0.000 0.834 195 Q CB 2.097 30.829 28.738 -0.009 0.000 1.345 195 Q HN 0.098 nan 8.270 nan 0.000 0.414 196 R N 4.529 125.043 120.500 0.023 0.000 2.494 196 R HA 0.250 4.590 4.340 0.001 0.000 0.284 196 R C -2.171 174.145 176.300 0.027 0.000 1.525 196 R CA -1.661 54.468 56.100 0.048 0.000 1.460 196 R CB 1.234 31.570 30.300 0.060 0.000 1.134 196 R HN 0.465 nan 8.270 nan 0.000 0.592 197 P HA -0.217 nan 4.420 nan 0.000 0.216 197 P C 1.158 178.462 177.300 0.007 0.000 1.154 197 P CA 0.892 63.992 63.100 0.001 0.000 0.865 197 P CB 0.306 31.978 31.700 -0.046 0.000 0.789 198 L N -0.197 121.032 121.223 0.009 0.000 2.081 198 L HA -0.198 4.143 4.340 0.001 0.000 0.212 198 L C 2.043 178.924 176.870 0.018 0.000 1.080 198 L CA 1.838 56.686 54.840 0.014 0.000 0.754 198 L CB -1.467 40.605 42.059 0.021 0.000 0.893 198 L HN 0.089 nan 8.230 nan 0.000 0.433 199 E N -1.264 118.949 120.200 0.021 0.000 2.427 199 E HA -0.072 4.279 4.350 0.001 0.000 0.196 199 E C 1.892 178.502 176.600 0.017 0.000 1.028 199 E CA 0.283 56.695 56.400 0.019 0.000 0.864 199 E CB 0.027 29.740 29.700 0.021 0.000 0.813 199 E HN 0.456 nan 8.360 nan 0.000 0.514 200 L N -0.840 120.394 121.223 0.018 0.000 2.607 200 L HA 0.218 4.559 4.340 0.001 0.000 0.228 200 L C 1.305 178.192 176.870 0.028 0.000 1.123 200 L CA 0.354 55.207 54.840 0.021 0.000 0.890 200 L CB 0.538 42.611 42.059 0.024 0.000 1.103 200 L HN 0.272 nan 8.230 nan 0.000 0.468 201 G N -0.402 108.414 108.800 0.026 0.000 2.205 201 G HA2 -0.172 3.788 3.960 0.001 0.000 0.180 201 G HA3 -0.172 3.788 3.960 0.001 0.000 0.180 201 G C 0.379 175.298 174.900 0.032 0.000 1.004 201 G CA -0.189 44.929 45.100 0.030 0.000 0.670 201 G HN 0.369 nan 8.290 nan 0.000 0.496 202 A N 0.346 123.180 122.820 0.024 0.000 2.425 202 A HA 0.557 4.877 4.320 0.001 0.000 0.242 202 A C 1.110 178.695 177.584 0.003 0.000 1.077 202 A CA 0.868 52.909 52.037 0.006 0.000 0.781 202 A CB 0.330 19.308 19.000 -0.037 0.000 1.020 202 A HN 0.179 nan 8.150 nan 0.000 0.494 203 D N 0.083 120.483 120.400 0.000 0.000 2.240 203 D HA 0.174 4.814 4.640 0.001 0.000 0.206 203 D C 0.039 176.340 176.300 0.001 0.000 0.963 203 D CA 1.134 55.139 54.000 0.008 0.000 0.863 203 D CB 0.174 40.984 40.800 0.016 0.000 0.973 203 D HN 0.424 nan 8.370 nan 0.000 0.501 204 L N 0.331 121.544 121.223 -0.018 0.000 2.434 204 L HA 0.431 4.772 4.340 0.001 0.000 0.260 204 L C -1.068 175.764 176.870 -0.063 0.000 0.983 204 L CA -0.781 54.048 54.840 -0.018 0.000 0.820 204 L CB 3.399 45.460 42.059 0.003 0.000 1.361 204 L HN -0.357 nan 8.230 nan 0.000 0.410 205 V N 2.064 121.948 119.914 -0.050 0.000 2.709 205 V HA 0.640 4.760 4.120 0.001 0.000 0.308 205 V C -0.607 175.434 176.094 -0.088 0.000 1.062 205 V CA -0.699 61.531 62.300 -0.117 0.000 0.901 205 V CB 2.537 34.308 31.823 -0.087 0.000 1.003 205 V HN 0.486 nan 8.190 nan 0.000 0.425 206 V N 1.598 121.409 119.914 -0.171 0.000 2.769 206 V HA 0.785 4.905 4.120 0.001 0.000 0.312 206 V C -0.995 174.965 176.094 -0.223 0.000 1.061 206 V CA -0.589 61.664 62.300 -0.078 0.000 0.931 206 V CB 1.896 33.730 31.823 0.018 0.000 1.010 206 V HN 0.937 nan 8.190 nan 0.000 0.433 207 H N 0.977 120.063 119.070 0.026 0.000 2.768 207 H HA 0.663 5.219 4.556 0.001 0.000 0.371 207 H C -0.460 174.881 175.328 0.021 0.000 1.151 207 H CA -0.249 55.819 56.048 0.035 0.000 1.165 207 H CB 2.057 31.851 29.762 0.052 0.000 1.722 207 H HN 0.865 nan 8.280 nan 0.000 0.543 208 S N 1.940 117.732 115.700 0.153 0.000 2.592 208 S HA 0.367 4.837 4.470 0.001 0.000 0.305 208 S C 1.138 175.798 174.600 0.100 0.000 1.118 208 S CA -0.174 58.065 58.200 0.064 0.000 1.075 208 S CB -0.196 62.991 63.200 -0.022 0.000 1.107 208 S HN 0.780 nan 8.310 nan 0.000 0.503 209 A N 4.431 127.305 122.820 0.091 0.000 2.125 209 A HA 0.087 4.408 4.320 0.001 0.000 0.219 209 A C 1.428 179.040 177.584 0.047 0.000 1.156 209 A CA 1.001 53.077 52.037 0.065 0.000 0.671 209 A CB -0.973 18.050 19.000 0.038 0.000 0.794 209 A HN 0.703 nan 8.150 nan 0.000 0.459 213 L N 0.191 121.526 121.223 0.186 0.000 1.989 213 L HA -0.265 4.075 4.340 0.001 0.000 0.211 213 L C 2.547 179.480 176.870 0.104 0.000 1.071 213 L CA 2.199 57.102 54.840 0.105 0.000 0.749 213 L CB -0.533 41.542 42.059 0.026 0.000 0.890 213 L HN 0.343 nan 8.230 nan 0.000 0.431 214 S N -0.578 115.180 115.700 0.096 0.000 2.355 214 S HA -0.112 4.359 4.470 0.001 0.000 0.222 214 S C 1.784 176.527 174.600 0.239 0.000 1.031 214 S CA 1.546 59.817 58.200 0.119 0.000 0.993 214 S CB -0.342 62.908 63.200 0.083 0.000 0.859 214 S HN 0.657 nan 8.310 nan 0.000 0.453 215 G N 0.051 108.939 108.800 0.147 0.000 2.220 215 G HA2 -0.280 3.681 3.960 0.001 0.000 0.269 215 G HA3 -0.280 3.681 3.960 0.001 0.000 0.269 215 G C 0.405 175.202 174.900 -0.173 0.000 0.977 215 G CA 1.024 46.153 45.100 0.049 0.000 0.634 215 G HN 0.730 nan 8.290 nan 0.000 0.539 216 H N -0.672 118.410 119.070 0.019 0.000 2.662 216 H HA 0.463 5.019 4.556 0.001 0.000 0.268 216 H C 1.833 177.161 175.328 -0.001 0.000 1.152 216 H CA 0.180 56.233 56.048 0.008 0.000 1.072 216 H CB 0.425 30.187 29.762 0.000 0.000 1.660 216 H HN 1.093 nan 8.280 nan 0.000 0.584 217 G N 1.906 110.749 108.800 0.072 0.000 2.269 217 G HA2 -0.372 3.589 3.960 0.001 0.000 0.277 217 G HA3 -0.372 3.589 3.960 0.001 0.000 0.277 217 G C 0.635 175.565 174.900 0.050 0.000 1.008 217 G CA 1.090 46.213 45.100 0.038 0.000 0.774 217 G HN 0.628 nan 8.290 nan 0.000 0.511 218 D N -0.780 119.661 120.400 0.068 0.000 2.398 218 D HA 0.254 4.894 4.640 0.001 0.000 0.210 218 D C 1.159 177.491 176.300 0.053 0.000 1.094 218 D CA 0.505 54.539 54.000 0.056 0.000 0.839 218 D CB -0.072 40.761 40.800 0.054 0.000 0.963 218 D HN 0.938 nan 8.370 nan 0.000 0.506 219 I N -3.893 116.706 120.570 0.048 0.000 3.095 219 I HA 0.642 4.813 4.170 0.001 0.000 0.310 219 I C -1.407 174.734 176.117 0.039 0.000 1.196 219 I CA -0.906 60.422 61.300 0.047 0.000 0.985 219 I CB 2.596 40.618 38.000 0.038 0.000 1.250 219 I HN -0.370 nan 8.210 nan 0.000 0.446 220 T N 2.739 117.317 114.554 0.040 0.000 2.807 220 T HA 0.871 5.221 4.350 0.001 0.000 0.279 220 T C -0.530 174.190 174.700 0.034 0.000 0.993 220 T CA -0.463 61.658 62.100 0.034 0.000 0.970 220 T CB 1.457 70.347 68.868 0.035 0.000 0.950 220 T HN 0.997 nan 8.240 nan 0.000 0.441 221 A N 1.983 124.821 122.820 0.031 0.000 2.597 221 A HA 0.903 5.224 4.320 0.001 0.000 0.292 221 A C -0.574 177.031 177.584 0.036 0.000 1.057 221 A CA -0.690 51.366 52.037 0.032 0.000 0.674 221 A CB 1.349 20.366 19.000 0.029 0.000 1.278 221 A HN 1.081 nan 8.150 nan 0.000 0.416 222 G N -0.075 108.748 108.800 0.039 0.000 2.574 222 G HA2 0.687 4.647 3.960 0.001 0.000 0.299 222 G HA3 0.687 4.647 3.960 0.001 0.000 0.299 222 G C -1.308 173.630 174.900 0.062 0.000 1.298 222 G CA -0.526 44.605 45.100 0.053 0.000 0.952 222 G HN 0.636 nan 8.290 nan 0.000 0.477 223 I N 0.333 120.962 120.570 0.098 0.000 2.722 223 I HA 0.452 4.622 4.170 0.001 0.000 0.295 223 I C -0.817 175.378 176.117 0.129 0.000 1.161 223 I CA -0.813 60.548 61.300 0.103 0.000 1.032 223 I CB 1.953 40.013 38.000 0.100 0.000 1.244 223 I HN 0.208 nan 8.210 nan 0.000 0.421 224 V N 5.697 125.667 119.914 0.094 0.000 2.588 224 V HA 0.640 4.761 4.120 0.001 0.000 0.304 224 V C -0.415 175.725 176.094 0.076 0.000 1.042 224 V CA -0.672 61.676 62.300 0.081 0.000 0.877 224 V CB 2.743 34.599 31.823 0.055 0.000 0.996 224 V HN 0.461 nan 8.190 nan 0.000 0.425 225 V N 3.095 123.055 119.914 0.077 0.000 2.709 225 V HA 1.041 5.161 4.120 0.001 0.000 0.308 225 V C 0.411 176.530 176.094 0.041 0.000 1.062 225 V CA 0.396 62.733 62.300 0.062 0.000 0.901 225 V CB 1.576 33.448 31.823 0.082 0.000 1.003 225 V HN 1.174 nan 8.190 nan 0.000 0.425 226 G N 2.266 111.085 108.800 0.032 0.000 2.393 226 G HA2 0.475 4.436 3.960 0.001 0.000 0.264 226 G HA3 0.475 4.436 3.960 0.001 0.000 0.264 226 G C -0.487 174.426 174.900 0.022 0.000 1.221 226 G CA 0.109 45.224 45.100 0.024 0.000 0.912 226 G HN 1.029 nan 8.290 nan 0.000 0.483 227 S N -0.402 115.310 115.700 0.020 0.000 2.585 227 S HA 0.294 4.764 4.470 0.001 0.000 0.273 227 S C 1.234 175.846 174.600 0.020 0.000 1.339 227 S CA 0.643 58.854 58.200 0.019 0.000 1.028 227 S CB 1.782 64.993 63.200 0.019 0.000 0.906 227 S HN 0.775 nan 8.310 nan 0.000 0.528 228 Q N 2.041 121.852 119.800 0.018 0.000 2.135 228 Q HA -0.064 4.276 4.340 0.001 0.000 0.204 228 Q C 2.192 178.202 176.000 0.016 0.000 0.981 228 Q CA 2.229 58.042 55.803 0.017 0.000 0.856 228 Q CB -1.025 27.721 28.738 0.015 0.000 0.902 228 Q HN 0.956 nan 8.270 nan 0.000 0.425 229 A N -0.027 122.803 122.820 0.016 0.000 1.858 229 A HA -0.166 4.155 4.320 0.001 0.000 0.216 229 A C 2.109 179.704 177.584 0.019 0.000 1.190 229 A CA 1.578 53.625 52.037 0.017 0.000 0.617 229 A CB -0.878 18.131 19.000 0.016 0.000 0.827 229 A HN 0.441 nan 8.150 nan 0.000 0.443 230 L N -0.579 120.657 121.223 0.022 0.000 2.027 230 L HA -0.152 4.189 4.340 0.001 0.000 0.206 230 L C 2.560 179.446 176.870 0.027 0.000 1.074 230 L CA 1.135 55.990 54.840 0.025 0.000 0.745 230 L CB -0.541 41.533 42.059 0.026 0.000 0.898 230 L HN 0.253 nan 8.230 nan 0.000 0.433 231 V N -0.316 119.613 119.914 0.025 0.000 2.343 231 V HA -0.293 3.827 4.120 0.001 0.000 0.247 231 V C 2.102 178.209 176.094 0.023 0.000 1.051 231 V CA 1.820 64.136 62.300 0.026 0.000 1.036 231 V CB -0.567 31.271 31.823 0.025 0.000 0.654 231 V HN 0.429 nan 8.190 nan 0.000 0.451 232 D N -0.047 120.365 120.400 0.019 0.000 2.123 232 D HA -0.156 4.484 4.640 0.001 0.000 0.196 232 D C 2.431 178.742 176.300 0.018 0.000 0.992 232 D CA 1.286 55.295 54.000 0.016 0.000 0.833 232 D CB -0.230 40.578 40.800 0.013 0.000 0.954 232 D HN 0.398 nan 8.370 nan 0.000 0.455 233 R N 0.016 120.529 120.500 0.022 0.000 2.075 233 R HA -0.001 4.340 4.340 0.001 0.000 0.232 233 R C 2.572 178.891 176.300 0.031 0.000 1.126 233 R CA 0.691 56.806 56.100 0.025 0.000 0.963 233 R CB -0.248 30.069 30.300 0.028 0.000 0.858 233 R HN 0.235 nan 8.270 nan 0.000 0.435 234 I N 0.366 120.957 120.570 0.035 0.000 2.226 234 I HA -0.301 3.870 4.170 0.001 0.000 0.245 234 I C 2.810 178.948 176.117 0.035 0.000 1.100 234 I CA 1.240 62.566 61.300 0.042 0.000 1.374 234 I CB -0.328 37.697 38.000 0.043 0.000 1.057 234 I HN 0.171 nan 8.210 nan 0.000 0.413 235 R N 1.561 122.077 120.500 0.027 0.000 2.070 235 R HA -0.160 4.181 4.340 0.001 0.000 0.233 235 R C 2.200 178.510 176.300 0.017 0.000 1.137 235 R CA 1.639 57.752 56.100 0.021 0.000 0.945 235 R CB -0.245 30.064 30.300 0.015 0.000 0.845 235 R HN 0.334 nan 8.270 nan 0.000 0.430 236 L N -0.179 121.053 121.223 0.015 0.000 2.492 236 L HA -0.008 4.333 4.340 0.001 0.000 0.223 236 L C 1.978 178.853 176.870 0.009 0.000 1.132 236 L CA 0.647 55.493 54.840 0.011 0.000 0.850 236 L CB -0.005 42.059 42.059 0.009 0.000 0.966 236 L HN 0.317 nan 8.230 nan 0.000 0.454 237 Q N -0.907 118.902 119.800 0.015 0.000 2.612 237 Q HA 0.145 4.486 4.340 0.001 0.000 0.193 237 Q C 2.197 178.206 176.000 0.014 0.000 0.828 237 Q CA 0.590 56.401 55.803 0.013 0.000 0.851 237 Q CB -0.287 28.466 28.738 0.025 0.000 1.178 237 Q HN 0.306 nan 8.270 nan 0.000 0.634 238 G N 1.618 110.446 108.800 0.045 0.000 2.480 238 G HA2 -0.268 3.692 3.960 0.001 0.000 0.216 238 G HA3 -0.268 3.692 3.960 0.001 0.000 0.216 238 G C 1.357 176.278 174.900 0.035 0.000 1.200 238 G CA 1.127 46.269 45.100 0.071 0.000 0.782 238 G HN 0.166 nan 8.290 nan 0.000 0.554 239 L N 0.820 122.062 121.223 0.031 0.000 1.988 239 L HA 0.122 4.462 4.340 0.001 0.000 0.207 239 L C 2.693 179.565 176.870 0.003 0.000 1.071 239 L CA 2.728 57.579 54.840 0.019 0.000 0.744 239 L CB -0.786 41.286 42.059 0.022 0.000 0.893 239 L HN 0.288 nan 8.230 nan 0.000 0.433 240 K N -1.100 119.301 120.400 0.003 0.000 2.032 240 K HA -0.185 4.135 4.320 0.001 0.000 0.209 240 K C 1.252 177.841 176.600 -0.018 0.000 1.048 240 K CA 2.072 58.357 56.287 -0.002 0.000 0.927 240 K CB -0.089 32.413 32.500 0.002 0.000 0.712 240 K HN 0.481 nan 8.250 nan 0.000 0.441 241 D N -0.971 119.409 120.400 -0.033 0.000 2.422 241 D HA 0.057 4.698 4.640 0.001 0.000 0.218 241 D C 1.631 177.865 176.300 -0.110 0.000 1.047 241 D CA 0.596 54.560 54.000 -0.060 0.000 0.885 241 D CB 0.357 41.122 40.800 -0.058 0.000 1.035 241 D HN 0.282 nan 8.370 nan 0.000 0.502 242 M N -0.066 119.456 119.600 -0.129 0.000 2.421 242 M HA 0.060 4.540 4.480 0.001 0.000 0.258 242 M C 1.566 177.730 176.300 -0.226 0.000 1.122 242 M CA 0.728 55.874 55.300 -0.256 0.000 1.078 242 M CB 0.796 33.173 32.600 -0.371 0.000 1.380 242 M HN -0.023 nan 8.290 nan 0.000 0.499 243 T N -4.799 109.700 114.554 -0.093 0.000 3.048 243 T HA 0.279 4.630 4.350 0.001 0.000 0.254 243 T C 1.480 176.165 174.700 -0.024 0.000 0.942 243 T CA 0.728 62.803 62.100 -0.041 0.000 0.931 243 T CB 0.233 69.112 68.868 0.019 0.000 1.220 243 T HN 0.393 nan 8.240 nan 0.000 0.503 244 G N 2.115 110.904 108.800 -0.018 0.000 2.258 244 G HA2 -0.080 3.880 3.960 0.001 0.000 0.274 244 G HA3 -0.080 3.880 3.960 0.001 0.000 0.274 244 G C 0.428 175.331 174.900 0.005 0.000 1.021 244 G CA 0.128 45.224 45.100 -0.006 0.000 0.798 244 G HN 1.439 nan 8.290 nan 0.000 0.507 245 A N 0.149 122.974 122.820 0.008 0.000 3.063 245 A HA 0.602 4.922 4.320 0.001 0.000 0.263 245 A C 0.855 178.451 177.584 0.020 0.000 1.736 245 A CA 0.077 52.123 52.037 0.014 0.000 1.408 245 A CB 0.098 19.105 19.000 0.012 0.000 1.108 245 A HN 0.982 nan 8.150 nan 0.000 0.621 246 V N 2.105 122.032 119.914 0.022 0.000 2.555 246 V HA 0.105 4.226 4.120 0.001 0.000 0.286 246 V C 0.359 176.473 176.094 0.033 0.000 1.044 246 V CA -0.305 62.013 62.300 0.029 0.000 1.026 246 V CB 0.985 32.828 31.823 0.032 0.000 0.981 246 V HN 0.679 nan 8.190 nan 0.000 0.480 247 L N 5.167 126.412 121.223 0.037 0.000 2.326 247 L HA 0.423 4.763 4.340 0.001 0.000 0.278 247 L C 0.610 177.511 176.870 0.051 0.000 1.092 247 L CA 0.689 55.553 54.840 0.041 0.000 0.810 247 L CB 1.551 43.632 42.059 0.036 0.000 1.153 247 L HN 0.736 nan 8.230 nan 0.000 0.439 248 S N 5.633 121.369 115.700 0.060 0.000 2.531 248 S HA 0.283 4.754 4.470 0.001 0.000 0.279 248 S C -1.635 173.018 174.600 0.088 0.000 1.305 248 S CA -0.812 57.434 58.200 0.077 0.000 1.058 248 S CB 0.760 64.015 63.200 0.091 0.000 0.899 248 S HN 0.661 nan 8.310 nan 0.000 0.493 249 P HA -0.179 nan 4.420 nan 0.000 0.216 249 P C 1.405 178.755 177.300 0.082 0.000 1.150 249 P CA 1.135 64.291 63.100 0.093 0.000 0.843 249 P CB -0.106 31.667 31.700 0.121 0.000 0.787 250 H N 0.180 119.257 119.070 0.011 0.000 2.319 250 H HA -0.142 4.415 4.556 0.001 0.000 0.299 250 H C 1.148 176.471 175.328 -0.009 0.000 1.092 250 H CA 2.029 58.074 56.048 -0.004 0.000 1.302 250 H CB -0.447 29.310 29.762 -0.008 0.000 1.373 250 H HN 0.012 nan 8.280 nan 0.000 0.497 251 D N 0.472 120.917 120.400 0.074 0.000 2.144 251 D HA -0.031 4.609 4.640 0.001 0.000 0.200 251 D C 2.327 178.594 176.300 -0.054 0.000 0.978 251 D CA 1.302 55.304 54.000 0.003 0.000 0.833 251 D CB -0.436 40.416 40.800 0.086 0.000 0.961 251 D HN 0.493 nan 8.370 nan 0.000 0.470 252 A N 0.783 123.589 122.820 -0.023 0.000 1.933 252 A HA -0.045 4.275 4.320 0.001 0.000 0.218 252 A C 2.261 179.803 177.584 -0.071 0.000 1.175 252 A CA 2.041 54.060 52.037 -0.029 0.000 0.628 252 A CB -0.741 18.258 19.000 -0.003 0.000 0.814 252 A HN 0.231 nan 8.150 nan 0.000 0.444 253 A N -0.376 122.381 122.820 -0.104 0.000 1.898 253 A HA -0.012 4.309 4.320 0.001 0.000 0.216 253 A C 2.161 179.643 177.584 -0.169 0.000 1.181 253 A CA 1.420 53.374 52.037 -0.139 0.000 0.620 253 A CB -0.550 18.358 19.000 -0.153 0.000 0.819 253 A HN 0.464 nan 8.150 nan 0.000 0.442 254 L N -1.030 120.062 121.223 -0.217 0.000 2.093 254 L HA -0.153 4.188 4.340 0.001 0.000 0.208 254 L C 2.525 179.320 176.870 -0.125 0.000 1.085 254 L CA 0.934 55.655 54.840 -0.199 0.000 0.755 254 L CB -0.396 41.530 42.059 -0.222 0.000 0.904 254 L HN 0.466 nan 8.230 nan 0.000 0.435 255 L N -0.346 120.824 121.223 -0.088 0.000 2.017 255 L HA -0.223 4.118 4.340 0.001 0.000 0.208 255 L C 2.407 179.246 176.870 -0.053 0.000 1.073 255 L CA 1.854 56.667 54.840 -0.046 0.000 0.745 255 L CB -0.393 41.649 42.059 -0.029 0.000 0.894 255 L HN 0.181 nan 8.230 nan 0.000 0.432 256 M N -1.233 118.322 119.600 -0.075 0.000 2.213 256 M HA -0.198 4.283 4.480 0.001 0.000 0.263 256 M C 2.413 178.658 176.300 -0.091 0.000 1.062 256 M CA 1.432 56.683 55.300 -0.082 0.000 1.105 256 M CB -0.319 32.219 32.600 -0.103 0.000 1.385 256 M HN 0.263 nan 8.290 nan 0.000 0.417 257 R N 0.291 120.724 120.500 -0.111 0.000 2.081 257 R HA -0.113 4.228 4.340 0.001 0.000 0.235 257 R C 2.212 178.455 176.300 -0.096 0.000 1.131 257 R CA 1.705 57.731 56.100 -0.124 0.000 0.960 257 R CB -0.479 29.723 30.300 -0.163 0.000 0.856 257 R HN 0.428 nan 8.270 nan 0.000 0.436 258 G N 0.945 109.702 108.800 -0.071 0.000 2.418 258 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 258 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 258 G C 1.461 176.399 174.900 0.065 0.000 1.158 258 G CA 0.738 45.861 45.100 0.039 0.000 0.771 258 G HN 0.279 nan 8.290 nan 0.000 0.545 259 I N 0.458 121.039 120.570 0.019 0.000 2.423 259 I HA -0.170 4.001 4.170 0.001 0.000 0.254 259 I C 2.621 178.741 176.117 0.004 0.000 1.151 259 I CA 0.993 62.303 61.300 0.016 0.000 1.421 259 I CB -0.090 37.899 38.000 -0.019 0.000 1.079 259 I HN 0.136 nan 8.210 nan 0.000 0.431 260 K N 0.154 120.540 120.400 -0.023 0.000 2.281 260 K HA -0.149 4.172 4.320 0.001 0.000 0.203 260 K C 1.552 178.145 176.600 -0.012 0.000 1.046 260 K CA 1.830 58.095 56.287 -0.037 0.000 0.938 260 K CB -0.229 32.231 32.500 -0.066 0.000 0.737 260 K HN 0.489 nan 8.250 nan 0.000 0.458 261 T N -2.051 112.511 114.554 0.014 0.000 3.132 261 T HA 0.120 4.470 4.350 0.001 0.000 0.274 261 T C 1.358 176.052 174.700 -0.011 0.000 1.011 261 T CA -0.404 61.702 62.100 0.010 0.000 0.899 261 T CB 0.131 69.025 68.868 0.043 0.000 1.089 261 T HN -0.046 nan 8.240 nan 0.000 0.543 262 L N 3.652 124.878 121.223 0.005 0.000 1.997 262 L HA -0.177 4.163 4.340 0.001 0.000 0.216 262 L C 2.126 178.841 176.870 -0.259 0.000 1.074 262 L CA 2.703 57.528 54.840 -0.025 0.000 0.763 262 L CB -1.017 41.088 42.059 0.077 0.000 0.890 262 L HN 0.643 nan 8.230 nan 0.000 0.434 263 N N -1.076 117.362 118.700 -0.437 0.000 2.084 263 N HA -0.237 4.504 4.740 0.001 0.000 0.190 263 N C 1.878 177.076 175.510 -0.521 0.000 1.030 263 N CA 1.847 54.258 53.050 -1.064 0.000 0.849 263 N CB -0.799 37.218 38.487 -0.783 0.000 1.012 263 N HN 0.443 nan 8.380 nan 0.000 0.423 264 L N -0.084 120.998 121.223 -0.235 0.000 2.046 264 L HA -0.060 4.280 4.340 0.001 0.000 0.208 264 L C 2.817 179.624 176.870 -0.105 0.000 1.077 264 L CA 1.176 55.944 54.840 -0.120 0.000 0.747 264 L CB -0.405 41.612 42.059 -0.069 0.000 0.896 264 L HN 0.245 nan 8.230 nan 0.000 0.432 265 R N -0.750 119.690 120.500 -0.099 0.000 2.066 265 R HA -0.093 4.248 4.340 0.001 0.000 0.232 265 R C 2.345 178.642 176.300 -0.006 0.000 1.131 265 R CA 1.092 57.139 56.100 -0.089 0.000 0.955 265 R CB -0.258 30.035 30.300 -0.012 0.000 0.851 265 R HN 0.220 nan 8.270 nan 0.000 0.432 266 M N 1.023 120.645 119.600 0.038 0.000 2.108 266 M HA -0.156 4.325 4.480 0.001 0.000 0.261 266 M C 1.418 177.790 176.300 0.121 0.000 1.066 266 M CA 1.565 56.929 55.300 0.107 0.000 1.107 266 M CB -0.905 31.758 32.600 0.105 0.000 1.356 266 M HN 0.011 nan 8.290 nan 0.000 0.406 267 D N -0.263 120.189 120.400 0.087 0.000 2.123 267 D HA -0.178 4.463 4.640 0.001 0.000 0.196 267 D C 2.187 178.513 176.300 0.042 0.000 0.992 267 D CA 1.229 55.284 54.000 0.093 0.000 0.833 267 D CB -0.205 40.631 40.800 0.059 0.000 0.954 267 D HN 0.145 nan 8.370 nan 0.000 0.455 268 R N -0.100 120.389 120.500 -0.018 0.000 2.073 268 R HA -0.048 4.292 4.340 0.001 0.000 0.229 268 R C 2.174 178.452 176.300 -0.036 0.000 1.120 268 R CA 1.206 57.269 56.100 -0.063 0.000 0.967 268 R CB -0.573 29.637 30.300 -0.148 0.000 0.862 268 R HN 0.318 nan 8.270 nan 0.000 0.436 269 H N -0.806 118.277 119.070 0.022 0.000 2.319 269 H HA -0.148 4.409 4.556 0.001 0.000 0.299 269 H C 2.118 177.481 175.328 0.058 0.000 1.092 269 H CA 1.935 58.013 56.048 0.050 0.000 1.302 269 H CB -0.464 29.347 29.762 0.081 0.000 1.373 269 H HN 0.260 nan 8.280 nan 0.000 0.497 270 C N 0.610 120.021 119.300 0.186 0.000 2.446 270 C HA -0.026 4.435 4.460 0.001 0.000 0.277 270 C C 3.155 178.222 174.990 0.128 0.000 1.275 270 C CA 0.715 59.828 59.018 0.159 0.000 1.727 270 C CB -1.070 26.739 27.740 0.114 0.000 2.010 270 C HN 0.626 nan 8.230 nan 0.000 0.486 271 A N 1.223 124.093 122.820 0.084 0.000 1.883 271 A HA -0.239 4.082 4.320 0.001 0.000 0.217 271 A C 1.901 179.509 177.584 0.040 0.000 1.186 271 A CA 2.121 54.192 52.037 0.056 0.000 0.624 271 A CB -0.925 18.093 19.000 0.031 0.000 0.822 271 A HN 0.785 nan 8.150 nan 0.000 0.444 272 N N -0.163 118.558 118.700 0.034 0.000 2.120 272 N HA -0.085 4.656 4.740 0.001 0.000 0.188 272 N C 2.004 177.520 175.510 0.010 0.000 1.024 272 N CA 0.960 54.021 53.050 0.019 0.000 0.852 272 N CB -0.236 38.263 38.487 0.019 0.000 1.003 272 N HN 0.504 nan 8.380 nan 0.000 0.424 273 A N 0.961 123.794 122.820 0.022 0.000 1.902 273 A HA -0.225 4.095 4.320 0.001 0.000 0.217 273 A C 2.154 179.540 177.584 -0.329 0.000 1.181 273 A CA 1.385 53.359 52.037 -0.106 0.000 0.623 273 A CB -0.608 18.388 19.000 -0.007 0.000 0.818 273 A HN 0.216 nan 8.150 nan 0.000 0.443 274 Q N -0.057 119.673 119.800 -0.116 0.000 2.050 274 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 274 Q C 1.896 177.865 176.000 -0.051 0.000 0.980 274 Q CA 2.237 58.020 55.803 -0.034 0.000 0.840 274 Q CB -0.620 28.201 28.738 0.138 0.000 0.898 274 Q HN 0.340 nan 8.270 nan 0.000 0.424 275 V N 0.275 120.177 119.914 -0.021 0.000 2.295 275 V HA -0.236 3.884 4.120 0.001 0.000 0.246 275 V C 2.230 178.326 176.094 0.004 0.000 1.049 275 V CA 1.664 63.965 62.300 0.001 0.000 1.024 275 V CB -0.658 31.163 31.823 -0.004 0.000 0.648 275 V HN 0.370 nan 8.190 nan 0.000 0.447 276 L N 0.389 121.593 121.223 -0.032 0.000 2.083 276 L HA -0.068 4.272 4.340 0.001 0.000 0.209 276 L C 2.463 179.326 176.870 -0.012 0.000 1.083 276 L CA 2.186 57.027 54.840 0.001 0.000 0.752 276 L CB -0.921 41.143 42.059 0.008 0.000 0.899 276 L HN 0.254 nan 8.230 nan 0.000 0.433 277 A N -0.867 121.853 122.820 -0.167 0.000 1.877 277 A HA -0.229 4.092 4.320 0.001 0.000 0.216 277 A C 2.147 179.703 177.584 -0.047 0.000 1.186 277 A CA 1.802 53.728 52.037 -0.185 0.000 0.620 277 A CB -0.604 18.127 19.000 -0.449 0.000 0.822 277 A HN 0.566 nan 8.150 nan 0.000 0.443 278 E N -1.597 118.603 120.200 -0.001 0.000 2.268 278 E HA -0.137 4.214 4.350 0.001 0.000 0.195 278 E C 1.620 178.240 176.600 0.033 0.000 0.995 278 E CA 0.990 57.407 56.400 0.028 0.000 0.836 278 E CB -0.205 29.524 29.700 0.048 0.000 0.763 278 E HN 0.736 nan 8.360 nan 0.000 0.491 279 F N 1.289 121.189 119.950 -0.083 0.000 2.098 279 F HA -0.145 4.382 4.527 0.001 0.000 0.294 279 F C 1.860 177.586 175.800 -0.124 0.000 1.107 279 F CA 0.913 58.861 58.000 -0.087 0.000 1.234 279 F CB -0.103 38.847 39.000 -0.083 0.000 1.002 279 F HN -0.086 nan 8.300 nan 0.000 0.472 280 L N 0.767 121.873 121.223 -0.195 0.000 2.079 280 L HA -0.192 4.148 4.340 0.001 0.000 0.210 280 L C 2.698 179.369 176.870 -0.330 0.000 1.081 280 L CA 1.845 56.454 54.840 -0.384 0.000 0.752 280 L CB -2.381 39.429 42.059 -0.414 0.000 0.896 280 L HN 0.353 nan 8.230 nan 0.000 0.433 281 A N -0.495 122.202 122.820 -0.205 0.000 2.125 281 A HA -0.169 4.152 4.320 0.001 0.000 0.219 281 A C 2.248 179.731 177.584 -0.168 0.000 1.156 281 A CA 1.135 53.086 52.037 -0.143 0.000 0.671 281 A CB -0.400 18.558 19.000 -0.070 0.000 0.794 281 A HN 0.378 nan 8.150 nan 0.000 0.459 282 R N -0.709 119.641 120.500 -0.250 0.000 2.397 282 R HA 0.146 4.486 4.340 0.001 0.000 0.241 282 R C -0.371 175.750 176.300 -0.297 0.000 0.914 282 R CA -0.075 55.883 56.100 -0.237 0.000 1.071 282 R CB 0.372 30.542 30.300 -0.217 0.000 1.116 282 R HN 0.369 nan 8.270 nan 0.000 0.524 283 Q N 0.233 119.813 119.800 -0.368 0.000 2.256 283 Q HA 0.186 4.526 4.340 0.001 0.000 0.254 283 Q C -1.964 173.917 176.000 -0.199 0.000 0.916 283 Q CA -2.356 53.246 55.803 -0.335 0.000 0.932 283 Q CB 1.239 29.720 28.738 -0.430 0.000 1.207 283 Q HN -0.095 nan 8.270 nan 0.000 0.426 284 P HA -0.120 nan 4.420 nan 0.000 0.220 284 P C 0.544 177.800 177.300 -0.075 0.000 1.148 284 P CA 1.127 64.172 63.100 -0.090 0.000 0.803 284 P CB 0.527 32.187 31.700 -0.067 0.000 0.782 285 Q N -1.183 118.568 119.800 -0.082 0.000 2.378 285 Q HA 0.025 4.365 4.340 0.001 0.000 0.205 285 Q C 0.371 176.337 176.000 -0.058 0.000 0.954 285 Q CA 0.527 56.296 55.803 -0.056 0.000 0.901 285 Q CB -0.423 28.291 28.738 -0.041 0.000 0.981 285 Q HN 0.104 nan 8.270 nan 0.000 0.483 286 V N 1.658 121.516 119.914 -0.094 0.000 2.406 286 V HA 0.043 4.163 4.120 0.001 0.000 0.272 286 V C 0.990 177.064 176.094 -0.034 0.000 1.043 286 V CA -0.181 62.082 62.300 -0.061 0.000 0.915 286 V CB 1.368 33.095 31.823 -0.159 0.000 0.988 286 V HN 0.148 nan 8.190 nan 0.000 0.466 287 E N 4.694 124.898 120.200 0.007 0.000 2.042 287 E HA 0.049 4.399 4.350 0.001 0.000 0.189 287 E C 0.146 176.742 176.600 -0.007 0.000 0.974 287 E CA 0.846 57.245 56.400 -0.002 0.000 0.806 287 E CB 0.230 29.935 29.700 0.009 0.000 0.769 287 E HN 0.494 nan 8.360 nan 0.000 0.451 288 L N -0.185 121.046 121.223 0.014 0.000 2.469 288 L HA 0.556 4.897 4.340 0.001 0.000 0.256 288 L C -1.612 175.257 176.870 -0.003 0.000 1.006 288 L CA -0.817 54.004 54.840 -0.032 0.000 0.832 288 L CB 1.977 43.996 42.059 -0.066 0.000 1.421 288 L HN 0.072 nan 8.230 nan 0.000 0.410 289 I N 1.998 122.520 120.570 -0.080 0.000 2.569 289 I HA 0.331 4.501 4.170 0.001 0.000 0.290 289 I C -1.362 174.734 176.117 -0.035 0.000 1.088 289 I CA -0.613 60.708 61.300 0.036 0.000 1.047 289 I CB 2.038 40.085 38.000 0.077 0.000 1.237 289 I HN 0.622 nan 8.210 nan 0.000 0.421 290 H N 5.393 124.638 119.070 0.290 0.000 2.683 290 H HA 0.409 4.966 4.556 0.001 0.000 0.270 290 H C -1.483 174.032 175.328 0.313 0.000 1.201 290 H CA -0.407 55.861 56.048 0.366 0.000 1.277 290 H CB 0.549 30.518 29.762 0.345 0.000 1.400 290 H HN 0.407 nan 8.280 nan 0.000 0.504 291 Y N 3.615 123.990 120.300 0.124 0.000 2.354 291 Y HA 0.291 4.841 4.550 0.001 0.000 0.330 291 Y C -2.407 173.226 175.900 -0.445 0.000 1.011 291 Y CA -3.105 54.935 58.100 -0.099 0.000 1.099 291 Y CB 2.058 40.528 38.460 0.017 0.000 1.179 291 Y HN 0.302 nan 8.280 nan 0.000 0.442 292 P HA -0.099 nan 4.420 nan 0.000 0.220 292 P C 1.252 178.187 177.300 -0.608 0.000 1.144 292 P CA 2.142 64.436 63.100 -1.344 0.000 0.800 292 P CB 0.312 31.435 31.700 -0.960 0.000 0.772 293 G N -1.486 106.829 108.800 -0.809 0.000 2.650 293 G HA2 0.008 3.968 3.960 0.001 0.000 0.214 293 G HA3 0.008 3.968 3.960 0.001 0.000 0.214 293 G C 0.376 175.421 174.900 0.243 0.000 1.136 293 G CA -0.026 45.004 45.100 -0.117 0.000 0.789 293 G HN 0.215 nan 8.290 nan 0.000 0.536 294 L N 0.681 122.044 121.223 0.235 0.000 2.326 294 L HA 0.398 4.738 4.340 0.001 0.000 0.278 294 L C 1.818 178.713 176.870 0.041 0.000 1.092 294 L CA -0.677 54.272 54.840 0.183 0.000 0.810 294 L CB 1.642 43.818 42.059 0.195 0.000 1.153 294 L HN 0.086 nan 8.230 nan 0.000 0.439 295 A N 1.721 124.406 122.820 -0.225 0.000 2.076 295 A HA -0.167 4.153 4.320 0.001 0.000 0.220 295 A C 2.205 179.594 177.584 -0.326 0.000 1.160 295 A CA 1.868 53.503 52.037 -0.669 0.000 0.653 295 A CB -0.488 18.227 19.000 -0.473 0.000 0.801 295 A HN 0.869 nan 8.150 nan 0.000 0.455 296 S N -1.503 114.146 115.700 -0.085 0.000 2.522 296 S HA 0.065 4.536 4.470 0.001 0.000 0.227 296 S C 0.488 175.143 174.600 0.092 0.000 0.986 296 S CA -0.285 57.909 58.200 -0.009 0.000 0.929 296 S CB -0.614 62.588 63.200 0.004 0.000 0.769 296 S HN 0.352 nan 8.310 nan 0.000 0.529 297 F N 4.346 124.308 119.950 0.021 0.000 2.590 297 F HA 0.271 4.799 4.527 0.001 0.000 0.389 297 F C -1.577 174.287 175.800 0.106 0.000 1.049 297 F CA -2.341 55.718 58.000 0.097 0.000 1.199 297 F CB 0.381 39.480 39.000 0.165 0.000 1.058 297 F HN 0.005 nan 8.300 nan 0.000 0.556 298 P HA -0.232 nan 4.420 nan 0.000 0.216 298 P C 0.127 177.273 177.300 -0.257 0.000 1.154 298 P CA 1.998 64.923 63.100 -0.292 0.000 0.865 298 P CB 0.076 31.593 31.700 -0.306 0.000 0.789 299 Q N -2.622 116.874 119.800 -0.508 0.000 2.286 299 Q HA 0.075 4.415 4.340 0.001 0.000 0.281 299 Q C 0.813 176.922 176.000 0.183 0.000 0.897 299 Q CA -0.400 55.313 55.803 -0.149 0.000 1.023 299 Q CB -0.319 28.319 28.738 -0.167 0.000 1.151 299 Q HN 0.257 nan 8.270 nan 0.000 0.445 300 Y N 1.085 121.481 120.300 0.161 0.000 2.069 300 Y HA -0.346 4.204 4.550 0.001 0.000 0.278 300 Y C 2.081 178.051 175.900 0.116 0.000 1.175 300 Y CA 2.401 60.645 58.100 0.240 0.000 1.134 300 Y CB -0.123 38.430 38.460 0.156 0.000 0.965 300 Y HN 0.130 nan 8.280 nan 0.000 0.498 301 T N 1.303 115.928 114.554 0.117 0.000 2.746 301 T HA -0.211 4.140 4.350 0.001 0.000 0.267 301 T C 2.069 176.738 174.700 -0.051 0.000 1.039 301 T CA 1.536 63.631 62.100 -0.008 0.000 1.142 301 T CB -0.657 68.246 68.868 0.058 0.000 0.866 301 T HN 0.394 nan 8.240 nan 0.000 0.444 302 L N 0.528 121.744 121.223 -0.012 0.000 2.056 302 L HA -0.081 4.260 4.340 0.001 0.000 0.207 302 L C 2.833 179.682 176.870 -0.035 0.000 1.078 302 L CA 1.364 56.188 54.840 -0.025 0.000 0.749 302 L CB -0.614 41.430 42.059 -0.025 0.000 0.901 302 L HN 0.289 nan 8.230 nan 0.000 0.433 303 A N 0.225 123.041 122.820 -0.007 0.000 1.883 303 A HA -0.239 4.082 4.320 0.001 0.000 0.217 303 A C 2.203 179.707 177.584 -0.133 0.000 1.186 303 A CA 1.647 53.664 52.037 -0.033 0.000 0.624 303 A CB -0.533 18.484 19.000 0.028 0.000 0.822 303 A HN 0.454 nan 8.150 nan 0.000 0.444 304 R N -0.572 119.796 120.500 -0.220 0.000 2.237 304 R HA -0.079 4.261 4.340 0.001 0.000 0.219 304 R C 2.133 178.344 176.300 -0.148 0.000 1.080 304 R CA 1.227 57.184 56.100 -0.238 0.000 0.995 304 R CB -0.224 29.866 30.300 -0.351 0.000 0.875 304 R HN 0.687 nan 8.270 nan 0.000 0.462 305 Q N 0.159 119.893 119.800 -0.110 0.000 2.212 305 Q HA -0.067 4.273 4.340 0.001 0.000 0.199 305 Q C 1.665 177.627 176.000 -0.064 0.000 0.950 305 Q CA 0.934 56.692 55.803 -0.075 0.000 0.863 305 Q CB 0.365 29.070 28.738 -0.054 0.000 0.944 305 Q HN 0.448 nan 8.270 nan 0.000 0.465 306 Q N -0.840 118.922 119.800 -0.063 0.000 2.392 306 Q HA 0.188 4.528 4.340 0.001 0.000 0.219 306 Q C 0.088 176.048 176.000 -0.066 0.000 0.895 306 Q CA 0.239 56.013 55.803 -0.049 0.000 0.929 306 Q CB 0.729 29.450 28.738 -0.028 0.000 1.077 306 Q HN 0.255 nan 8.270 nan 0.000 0.532 307 M N 0.271 119.815 119.600 -0.092 0.000 2.294 307 M HA 0.183 4.663 4.480 0.001 0.000 0.335 307 M C 0.643 176.854 176.300 -0.149 0.000 1.079 307 M CA -0.377 54.853 55.300 -0.117 0.000 0.982 307 M CB 1.987 34.516 32.600 -0.118 0.000 1.651 307 M HN -0.031 nan 8.290 nan 0.000 0.437 308 S N 1.511 117.101 115.700 -0.183 0.000 2.461 308 S HA 0.067 4.538 4.470 0.001 0.000 0.228 308 S C 0.427 174.913 174.600 -0.190 0.000 1.005 308 S CA 0.416 58.495 58.200 -0.203 0.000 0.942 308 S CB 0.034 63.063 63.200 -0.284 0.000 0.776 308 S HN 0.794 nan 8.310 nan 0.000 0.514 309 Q N 0.155 119.845 119.800 -0.184 0.000 2.418 309 Q HA 0.330 4.670 4.340 0.001 0.000 0.282 309 Q C -2.561 173.357 176.000 -0.137 0.000 1.044 309 Q CA -2.146 53.576 55.803 -0.134 0.000 0.813 309 Q CB 2.212 30.884 28.738 -0.109 0.000 1.428 309 Q HN -0.004 nan 8.270 nan 0.000 0.402 310 P HA -0.072 nan 4.420 nan 0.000 0.239 310 P C 0.372 177.546 177.300 -0.210 0.000 1.184 310 P CA 1.352 64.293 63.100 -0.266 0.000 0.760 310 P CB 0.269 31.734 31.700 -0.392 0.000 0.884 311 G N -0.647 108.125 108.800 -0.047 0.000 2.756 311 G HA2 -0.001 3.959 3.960 0.001 0.000 0.678 311 G HA3 -0.001 3.959 3.960 0.001 0.000 0.678 311 G C 0.474 175.482 174.900 0.179 0.000 1.349 311 G CA -0.549 44.557 45.100 0.010 0.000 0.847 311 G HN 0.290 nan 8.290 nan 0.000 0.548 312 G N -0.751 108.126 108.800 0.129 0.000 3.393 312 G HA2 0.482 4.442 3.960 0.001 0.000 0.255 312 G HA3 0.482 4.442 3.960 0.001 0.000 0.255 312 G C 0.579 175.616 174.900 0.228 0.000 1.097 312 G CA 0.226 45.454 45.100 0.213 0.000 0.780 312 G HN 0.525 nan 8.290 nan 0.000 0.540 313 M N 1.189 120.932 119.600 0.238 0.000 2.238 313 M HA 0.548 5.029 4.480 0.001 0.000 0.350 313 M C -0.748 175.743 176.300 0.317 0.000 1.138 313 M CA -0.811 54.607 55.300 0.197 0.000 1.040 313 M CB 1.497 34.137 32.600 0.067 0.000 1.639 313 M HN -0.133 nan 8.290 nan 0.000 0.451 314 I N 1.842 122.574 120.570 0.269 0.000 2.545 314 I HA 0.717 4.887 4.170 0.001 0.000 0.292 314 I C -0.463 175.841 176.117 0.312 0.000 1.040 314 I CA -0.837 60.648 61.300 0.308 0.000 1.068 314 I CB 2.289 40.404 38.000 0.191 0.000 1.251 314 I HN 0.758 nan 8.210 nan 0.000 0.424 315 A N 6.397 129.428 122.820 0.352 0.000 2.343 315 A HA 0.906 5.226 4.320 0.001 0.000 0.308 315 A C -1.052 176.779 177.584 0.412 0.000 1.092 315 A CA -0.380 51.827 52.037 0.282 0.000 0.751 315 A CB 0.930 20.060 19.000 0.217 0.000 1.203 315 A HN 0.656 nan 8.150 nan 0.000 0.452 316 F N -0.274 119.762 119.950 0.143 0.000 2.643 316 F HA 0.839 5.367 4.527 0.001 0.000 0.314 316 F C -0.660 175.156 175.800 0.026 0.000 1.096 316 F CA -0.910 57.140 58.000 0.084 0.000 0.953 316 F CB 1.361 40.345 39.000 -0.027 0.000 1.345 316 F HN 0.470 nan 8.300 nan 0.000 0.468 317 E N 2.279 122.562 120.200 0.138 0.000 2.210 317 E HA 0.427 4.777 4.350 0.001 0.000 0.266 317 E C -1.411 175.224 176.600 0.058 0.000 0.883 317 E CA -1.052 55.346 56.400 -0.003 0.000 0.761 317 E CB 2.380 32.112 29.700 0.053 0.000 1.156 317 E HN 0.381 nan 8.360 nan 0.000 0.412 318 L N 3.296 124.493 121.223 -0.044 0.000 2.326 318 L HA 0.196 4.536 4.340 0.001 0.000 0.278 318 L C 1.404 178.264 176.870 -0.016 0.000 1.092 318 L CA 0.322 55.150 54.840 -0.020 0.000 0.810 318 L CB 0.764 42.768 42.059 -0.092 0.000 1.153 318 L HN 0.618 nan 8.230 nan 0.000 0.439 319 K N 2.590 122.986 120.400 -0.007 0.000 2.097 319 K HA -0.109 4.212 4.320 0.001 0.000 0.206 319 K C 1.615 178.214 176.600 -0.002 0.000 1.049 319 K CA 1.343 57.627 56.287 -0.004 0.000 0.933 319 K CB -0.041 32.455 32.500 -0.008 0.000 0.717 319 K HN 0.904 nan 8.250 nan 0.000 0.442 320 G N 0.975 109.773 108.800 -0.004 0.000 2.708 320 G HA2 0.095 4.056 3.960 0.001 0.000 0.210 320 G HA3 0.095 4.056 3.960 0.001 0.000 0.210 320 G C 0.719 175.625 174.900 0.011 0.000 1.141 320 G CA 0.456 45.559 45.100 0.005 0.000 0.788 320 G HN 0.496 nan 8.290 nan 0.000 0.531 321 G N 0.136 108.940 108.800 0.007 0.000 2.569 321 G HA2 -0.335 3.625 3.960 0.001 0.000 0.259 321 G HA3 -0.335 3.625 3.960 0.001 0.000 0.259 321 G C 1.047 175.980 174.900 0.056 0.000 1.263 321 G CA 0.049 45.166 45.100 0.028 0.000 0.928 321 G HN 0.633 nan 8.290 nan 0.000 0.572 322 I N 1.589 122.223 120.570 0.107 0.000 2.700 322 I HA 0.017 4.187 4.170 0.001 0.000 0.261 322 I C 2.440 178.666 176.117 0.183 0.000 1.219 322 I CA 2.432 63.856 61.300 0.207 0.000 1.463 322 I CB -0.557 37.519 38.000 0.126 0.000 1.092 322 I HN 0.673 nan 8.210 nan 0.000 0.452 323 G N -0.126 108.730 108.800 0.093 0.000 2.408 323 G HA2 -0.131 3.830 3.960 0.001 0.000 0.213 323 G HA3 -0.131 3.830 3.960 0.001 0.000 0.213 323 G C 1.727 176.663 174.900 0.059 0.000 1.177 323 G CA 0.530 45.674 45.100 0.074 0.000 0.802 323 G HN 0.491 nan 8.290 nan 0.000 0.533 324 A N 0.950 123.789 122.820 0.031 0.000 1.972 324 A HA 0.173 4.494 4.320 0.001 0.000 0.219 324 A C 2.615 180.196 177.584 -0.004 0.000 1.169 324 A CA 2.039 54.089 52.037 0.022 0.000 0.635 324 A CB -0.950 18.049 19.000 -0.001 0.000 0.810 324 A HN 0.476 nan 8.150 nan 0.000 0.446 325 G N -0.442 108.275 108.800 -0.138 0.000 2.453 325 G HA2 -0.234 3.726 3.960 0.001 0.000 0.215 325 G HA3 -0.234 3.726 3.960 0.001 0.000 0.215 325 G C 1.756 176.596 174.900 -0.101 0.000 1.201 325 G CA 0.846 45.659 45.100 -0.478 0.000 0.784 325 G HN 0.530 nan 8.290 nan 0.000 0.545 326 R N -0.164 120.408 120.500 0.120 0.000 2.091 326 R HA -0.040 4.300 4.340 0.001 0.000 0.238 326 R C 2.764 179.129 176.300 0.109 0.000 1.136 326 R CA 1.331 57.536 56.100 0.175 0.000 0.959 326 R CB -0.300 30.090 30.300 0.151 0.000 0.856 326 R HN 0.251 nan 8.270 nan 0.000 0.437 327 R N -0.317 120.240 120.500 0.095 0.000 2.073 327 R HA -0.155 4.185 4.340 0.001 0.000 0.234 327 R C 2.137 178.498 176.300 0.101 0.000 1.134 327 R CA 1.696 57.846 56.100 0.084 0.000 0.952 327 R CB -0.364 29.986 30.300 0.082 0.000 0.850 327 R HN 0.138 nan 8.270 nan 0.000 0.433 328 F N 0.843 120.782 119.950 -0.018 0.000 2.069 328 F HA -0.288 4.239 4.527 0.001 0.000 0.298 328 F C 2.120 177.916 175.800 -0.006 0.000 1.113 328 F CA 1.589 59.582 58.000 -0.012 0.000 1.214 328 F CB -0.150 38.836 39.000 -0.023 0.000 0.978 328 F HN -0.046 nan 8.300 nan 0.000 0.474 329 M N 0.592 120.231 119.600 0.065 0.000 2.065 329 M HA -0.262 4.219 4.480 0.001 0.000 0.259 329 M C 1.858 178.122 176.300 -0.058 0.000 1.069 329 M CA 1.605 56.902 55.300 -0.007 0.000 1.110 329 M CB -1.661 31.007 32.600 0.113 0.000 1.328 329 M HN 0.227 nan 8.290 nan 0.000 0.405 330 N N 0.390 119.082 118.700 -0.013 0.000 2.364 330 N HA -0.046 4.695 4.740 0.001 0.000 0.183 330 N C 1.535 177.016 175.510 -0.048 0.000 1.022 330 N CA 1.334 54.375 53.050 -0.015 0.000 0.883 330 N CB -0.205 38.289 38.487 0.011 0.000 0.965 330 N HN 0.378 nan 8.380 nan 0.000 0.438 331 A N 0.674 123.436 122.820 -0.097 0.000 2.132 331 A HA 0.151 4.471 4.320 0.001 0.000 0.213 331 A C 1.028 178.524 177.584 -0.146 0.000 1.154 331 A CA -0.164 51.808 52.037 -0.108 0.000 0.753 331 A CB -0.145 18.790 19.000 -0.107 0.000 0.826 331 A HN 0.143 nan 8.150 nan 0.000 0.469 332 L N 0.202 121.296 121.223 -0.213 0.000 2.540 332 L HA -0.007 4.334 4.340 0.001 0.000 0.276 332 L C 1.409 178.249 176.870 -0.050 0.000 1.212 332 L CA -0.152 54.586 54.840 -0.169 0.000 0.893 332 L CB 0.541 42.499 42.059 -0.169 0.000 1.138 332 L HN 0.323 nan 8.230 nan 0.000 0.491 333 Q N 1.721 121.513 119.800 -0.013 0.000 2.431 333 Q HA 0.081 4.421 4.340 0.001 0.000 0.244 333 Q C 1.096 177.111 176.000 0.026 0.000 0.880 333 Q CA 0.403 56.209 55.803 0.004 0.000 0.954 333 Q CB 0.372 29.107 28.738 -0.005 0.000 1.105 333 Q HN 0.635 nan 8.270 nan 0.000 0.558 334 L N -1.113 120.147 121.223 0.063 0.000 2.262 334 L HA 0.392 4.732 4.340 0.001 0.000 0.197 334 L C -0.177 176.717 176.870 0.040 0.000 1.073 334 L CA 0.702 55.564 54.840 0.037 0.000 0.800 334 L CB -0.197 41.880 42.059 0.028 0.000 0.987 334 L HN 0.003 nan 8.230 nan 0.000 0.470 335 F N 0.719 120.651 119.950 -0.031 0.000 2.563 335 F HA 0.178 4.705 4.527 0.001 0.000 0.363 335 F C 1.063 176.854 175.800 -0.015 0.000 1.123 335 F CA 0.409 58.402 58.000 -0.011 0.000 1.307 335 F CB 0.383 39.381 39.000 -0.002 0.000 1.115 335 F HN -0.081 nan 8.300 nan 0.000 0.592 336 S N 3.043 118.831 115.700 0.146 0.000 2.525 336 S HA 0.490 4.960 4.470 0.001 0.000 0.290 336 S C -0.244 174.426 174.600 0.116 0.000 1.152 336 S CA -0.945 57.310 58.200 0.092 0.000 1.072 336 S CB 1.220 64.444 63.200 0.040 0.000 1.027 336 S HN 0.410 nan 8.310 nan 0.000 0.500 337 R N 1.862 122.412 120.500 0.082 0.000 2.272 337 R HA 0.578 4.919 4.340 0.001 0.000 0.334 337 R C -0.238 176.102 176.300 0.066 0.000 1.117 337 R CA -0.058 56.090 56.100 0.080 0.000 0.966 337 R CB 0.229 30.564 30.300 0.058 0.000 1.049 337 R HN 0.644 nan 8.270 nan 0.000 0.477 338 A N 1.928 124.793 122.820 0.076 0.000 2.612 338 A HA 0.440 4.760 4.320 0.001 0.000 0.293 338 A C -1.134 176.490 177.584 0.067 0.000 1.075 338 A CA -0.710 51.362 52.037 0.059 0.000 0.680 338 A CB 1.645 20.673 19.000 0.047 0.000 1.279 338 A HN 0.318 nan 8.150 nan 0.000 0.411 339 V N 1.833 121.782 119.914 0.058 0.000 2.240 339 V HA 0.663 4.784 4.120 0.001 0.000 0.265 339 V C 0.296 176.439 176.094 0.083 0.000 1.073 339 V CA 0.580 62.924 62.300 0.073 0.000 0.857 339 V CB -0.350 31.510 31.823 0.061 0.000 1.114 339 V HN 1.143 nan 8.190 nan 0.000 0.469 340 S N 4.399 120.141 115.700 0.070 0.000 2.660 340 S HA 0.814 5.284 4.470 0.001 0.000 0.264 340 S C -2.208 172.380 174.600 -0.019 0.000 1.131 340 S CA -0.476 57.750 58.200 0.043 0.000 0.846 340 S CB 1.529 64.740 63.200 0.019 0.000 1.151 340 S HN 0.841 nan 8.310 nan 0.000 0.486 341 L N -1.036 120.119 121.223 -0.113 0.000 2.999 341 L HA 0.818 5.158 4.340 0.001 0.000 0.274 341 L C 0.562 177.142 176.870 -0.484 0.000 1.044 341 L CA 0.199 54.882 54.840 -0.262 0.000 0.943 341 L CB 0.153 42.030 42.059 -0.303 0.000 1.522 341 L HN 1.811 nan 8.230 nan 0.000 0.400 342 G N 0.245 108.546 108.800 -0.831 0.000 2.143 342 G HA2 -0.183 3.777 3.960 0.001 0.000 0.248 342 G HA3 -0.183 3.777 3.960 0.001 0.000 0.248 342 G C -0.241 174.397 174.900 -0.436 0.000 0.991 342 G CA 0.553 44.909 45.100 -1.240 0.000 0.689 342 G HN 0.860 nan 8.290 nan 0.000 0.522 343 D N -0.773 119.487 120.400 -0.232 0.000 2.332 343 D HA 0.677 5.317 4.640 0.001 0.000 0.252 343 D C 1.466 177.769 176.300 0.005 0.000 1.050 343 D CA 0.191 54.136 54.000 -0.091 0.000 0.970 343 D CB 1.054 41.810 40.800 -0.074 0.000 1.141 343 D HN 0.275 nan 8.370 nan 0.000 0.485 344 A N 0.748 123.527 122.820 -0.070 0.000 2.015 344 A HA -0.111 4.210 4.320 0.001 0.000 0.219 344 A C 0.618 178.158 177.584 -0.073 0.000 1.163 344 A CA 1.146 53.127 52.037 -0.093 0.000 0.646 344 A CB -0.333 18.562 19.000 -0.175 0.000 0.806 344 A HN 0.504 nan 8.150 nan 0.000 0.448 345 E N 0.782 120.938 120.200 -0.073 0.000 2.289 345 E HA 0.414 4.765 4.350 0.001 0.000 0.278 345 E C -0.298 176.216 176.600 -0.143 0.000 1.032 345 E CA -0.078 56.259 56.400 -0.106 0.000 0.854 345 E CB 1.040 30.694 29.700 -0.077 0.000 1.046 345 E HN 0.199 nan 8.360 nan 0.000 0.409 346 S N 2.691 118.216 115.700 -0.291 0.000 2.533 346 S HA 0.244 4.714 4.470 0.001 0.000 0.282 346 S C -0.152 174.283 174.600 -0.276 0.000 1.304 346 S CA -0.317 57.588 58.200 -0.492 0.000 1.063 346 S CB 0.078 62.456 63.200 -1.370 0.000 0.881 346 S HN 0.285 nan 8.310 nan 0.000 0.493 347 L N 2.012 123.238 121.223 0.005 0.000 2.354 347 L HA 0.899 5.239 4.340 0.001 0.000 0.264 347 L C -0.153 176.949 176.870 0.386 0.000 1.008 347 L CA -0.896 54.050 54.840 0.177 0.000 0.819 347 L CB 1.913 44.018 42.059 0.076 0.000 1.339 347 L HN 0.677 nan 8.230 nan 0.000 0.420 348 A N 2.107 125.125 122.820 0.329 0.000 2.498 348 A HA 0.832 5.152 4.320 0.001 0.000 0.298 348 A C -1.457 176.232 177.584 0.175 0.000 1.075 348 A CA -0.482 51.716 52.037 0.268 0.000 0.714 348 A CB 2.262 21.401 19.000 0.233 0.000 1.299 348 A HN 0.739 nan 8.150 nan 0.000 0.407 349 Q N 0.559 120.449 119.800 0.150 0.000 2.435 349 Q HA 0.540 4.880 4.340 0.001 0.000 0.282 349 Q C -1.594 174.497 176.000 0.152 0.000 1.020 349 Q CA -0.744 55.139 55.803 0.133 0.000 0.820 349 Q CB 1.678 30.479 28.738 0.106 0.000 1.436 349 Q HN 0.875 nan 8.270 nan 0.000 0.395 350 H N 2.110 121.193 119.070 0.021 0.000 2.854 350 H HA 0.248 4.805 4.556 0.001 0.000 0.275 350 H C -2.253 173.068 175.328 -0.011 0.000 1.198 350 H CA -2.309 53.731 56.048 -0.013 0.000 1.489 350 H CB 1.705 31.473 29.762 0.010 0.000 1.519 350 H HN 0.498 nan 8.280 nan 0.000 0.503 351 P HA -0.243 nan 4.420 nan 0.000 0.217 351 P C 1.440 178.601 177.300 -0.230 0.000 1.158 351 P CA 2.292 65.331 63.100 -0.101 0.000 0.887 351 P CB 0.195 31.802 31.700 -0.155 0.000 0.792 352 A N -0.303 122.252 122.820 -0.442 0.000 1.948 352 A HA -0.205 4.115 4.320 0.001 0.000 0.220 352 A C 2.121 179.451 177.584 -0.423 0.000 1.177 352 A CA 2.531 54.310 52.037 -0.431 0.000 0.636 352 A CB -1.402 17.344 19.000 -0.424 0.000 0.815 352 A HN 0.385 nan 8.150 nan 0.000 0.449 353 S N -3.034 112.285 115.700 -0.635 0.000 2.554 353 S HA 0.529 5.000 4.470 0.001 0.000 0.226 353 S C 0.979 175.498 174.600 -0.134 0.000 0.980 353 S CA 0.256 58.298 58.200 -0.263 0.000 0.939 353 S CB 0.110 63.256 63.200 -0.090 0.000 0.832 353 S HN 0.458 nan 8.310 nan 0.000 0.486 354 M N 1.050 120.564 119.600 -0.143 0.000 2.953 354 M HA 0.148 4.629 4.480 0.001 0.000 0.166 354 M C 2.275 178.518 176.300 -0.095 0.000 2.045 354 M CA 0.935 56.191 55.300 -0.073 0.000 1.492 354 M CB -0.400 32.188 32.600 -0.019 0.000 1.172 354 M HN 0.282 nan 8.290 nan 0.000 0.615 355 T N -1.541 112.974 114.554 -0.065 0.000 2.788 355 T HA -0.149 4.202 4.350 0.001 0.000 0.268 355 T C 1.070 175.564 174.700 -0.343 0.000 1.044 355 T CA 1.741 63.756 62.100 -0.142 0.000 1.139 355 T CB -0.548 68.291 68.868 -0.048 0.000 0.867 355 T HN 0.399 nan 8.240 nan 0.000 0.454 356 H N 0.648 119.521 119.070 -0.329 0.000 2.592 356 H HA 0.439 4.996 4.556 0.001 0.000 0.279 356 H C 2.244 177.378 175.328 -0.323 0.000 1.089 356 H CA 0.093 55.865 56.048 -0.460 0.000 1.150 356 H CB 0.108 29.648 29.762 -0.370 0.000 1.575 356 H HN 0.521 nan 8.280 nan 0.000 0.547 357 S N 0.124 115.734 115.700 -0.151 0.000 2.380 357 S HA -0.294 4.176 4.470 0.001 0.000 0.229 357 S C 2.357 176.913 174.600 -0.073 0.000 1.043 357 S CA 1.556 59.692 58.200 -0.107 0.000 1.038 357 S CB -0.660 62.480 63.200 -0.101 0.000 0.872 357 S HN 0.544 nan 8.310 nan 0.000 0.456 358 S N 1.219 116.845 115.700 -0.122 0.000 2.365 358 S HA -0.128 4.343 4.470 0.001 0.000 0.225 358 S C 1.205 175.868 174.600 0.106 0.000 1.039 358 S CA 0.526 58.700 58.200 -0.043 0.000 1.033 358 S CB -1.331 61.812 63.200 -0.096 0.000 0.887 358 S HN 0.693 nan 8.310 nan 0.000 0.447 359 Y N 2.665 122.919 120.300 -0.076 0.000 2.130 359 Y HA 0.202 4.752 4.550 0.001 0.000 0.383 359 Y C 1.542 177.421 175.900 -0.036 0.000 1.258 359 Y CA 0.023 58.086 58.100 -0.063 0.000 1.776 359 Y CB -0.005 38.408 38.460 -0.077 0.000 1.501 359 Y HN 0.383 nan 8.280 nan 0.000 0.719 360 T N -3.435 111.207 114.554 0.147 0.000 2.930 360 T HA 0.263 4.613 4.350 0.001 0.000 0.290 360 T C -2.347 172.393 174.700 0.067 0.000 1.052 360 T CA -2.151 59.992 62.100 0.071 0.000 1.017 360 T CB 1.729 70.616 68.868 0.031 0.000 1.137 360 T HN 0.144 nan 8.240 nan 0.000 0.511 361 P HA -0.186 nan 4.420 nan 0.000 0.217 361 P C 1.362 178.693 177.300 0.052 0.000 1.158 361 P CA 1.478 64.604 63.100 0.042 0.000 0.887 361 P CB 0.097 31.816 31.700 0.031 0.000 0.792 362 E N -0.778 119.449 120.200 0.045 0.000 2.051 362 E HA -0.195 4.155 4.350 0.001 0.000 0.192 362 E C 2.039 178.695 176.600 0.092 0.000 0.991 362 E CA 0.858 57.290 56.400 0.054 0.000 0.799 362 E CB -0.415 29.304 29.700 0.033 0.000 0.748 362 E HN 0.320 nan 8.360 nan 0.000 0.449 363 E N 0.968 121.209 120.200 0.068 0.000 2.035 363 E HA -0.239 4.112 4.350 0.001 0.000 0.204 363 E C 2.118 178.877 176.600 0.264 0.000 1.025 363 E CA 1.272 57.725 56.400 0.087 0.000 0.835 363 E CB -0.378 29.277 29.700 -0.075 0.000 0.764 363 E HN 0.244 nan 8.360 nan 0.000 0.457 364 R N 0.398 121.015 120.500 0.194 0.000 2.103 364 R HA -0.145 4.195 4.340 0.001 0.000 0.242 364 R C 2.433 178.826 176.300 0.154 0.000 1.142 364 R CA 1.330 57.520 56.100 0.151 0.000 0.960 364 R CB -0.495 29.831 30.300 0.042 0.000 0.858 364 R HN 0.182 nan 8.270 nan 0.000 0.439 365 A N 0.976 123.868 122.820 0.119 0.000 1.917 365 A HA -0.259 4.062 4.320 0.001 0.000 0.219 365 A C 2.081 179.719 177.584 0.090 0.000 1.182 365 A CA 1.779 53.863 52.037 0.077 0.000 0.633 365 A CB -0.879 18.154 19.000 0.054 0.000 0.819 365 A HN 0.417 nan 8.150 nan 0.000 0.448 366 H N -1.494 117.600 119.070 0.040 0.000 2.353 366 H HA -0.154 4.402 4.556 0.001 0.000 0.300 366 H C 1.125 176.374 175.328 -0.131 0.000 1.090 366 H CA 1.893 57.907 56.048 -0.056 0.000 1.327 366 H CB -0.280 29.430 29.762 -0.087 0.000 1.383 366 H HN 0.563 nan 8.280 nan 0.000 0.508 367 Y N 0.100 120.498 120.300 0.164 0.000 2.477 367 Y HA 0.188 4.739 4.550 0.001 0.000 0.303 367 Y C 1.797 177.666 175.900 -0.051 0.000 1.202 367 Y CA 0.565 58.694 58.100 0.049 0.000 1.282 367 Y CB -0.087 38.370 38.460 -0.005 0.000 1.071 367 Y HN 0.436 nan 8.280 nan 0.000 0.510 368 G N 0.993 109.823 108.800 0.050 0.000 2.176 368 G HA2 -0.296 3.664 3.960 0.001 0.000 0.252 368 G HA3 -0.296 3.664 3.960 0.001 0.000 0.252 368 G C -0.102 174.785 174.900 -0.023 0.000 1.024 368 G CA 0.053 45.146 45.100 -0.012 0.000 0.755 368 G HN 0.384 nan 8.290 nan 0.000 0.507 369 I N 2.128 122.686 120.570 -0.020 0.000 2.359 369 I HA 0.327 4.497 4.170 0.001 0.000 0.284 369 I C 0.967 177.061 176.117 -0.038 0.000 1.018 369 I CA -0.483 60.770 61.300 -0.078 0.000 1.173 369 I CB 1.469 39.342 38.000 -0.211 0.000 1.326 369 I HN 0.317 nan 8.210 nan 0.000 0.462 370 S N 4.455 120.143 115.700 -0.019 0.000 2.603 370 S HA 0.209 4.680 4.470 0.001 0.000 0.268 370 S C 0.959 175.572 174.600 0.022 0.000 1.317 370 S CA -0.667 57.538 58.200 0.008 0.000 1.012 370 S CB 1.486 64.700 63.200 0.023 0.000 0.926 370 S HN 0.504 nan 8.310 nan 0.000 0.539 371 E N 1.762 121.986 120.200 0.040 0.000 2.204 371 E HA -0.035 4.315 4.350 0.001 0.000 0.195 371 E C 1.556 178.259 176.600 0.172 0.000 0.990 371 E CA 1.277 57.726 56.400 0.081 0.000 0.821 371 E CB -0.689 29.048 29.700 0.062 0.000 0.750 371 E HN 0.900 nan 8.360 nan 0.000 0.477 372 G N 0.596 109.439 108.800 0.072 0.000 3.502 372 G HA2 0.163 4.123 3.960 0.001 0.000 0.267 372 G HA3 0.163 4.123 3.960 0.001 0.000 0.267 372 G C 0.095 174.919 174.900 -0.126 0.000 1.090 372 G CA -0.444 44.641 45.100 -0.023 0.000 0.795 372 G HN 0.071 nan 8.290 nan 0.000 0.535 373 L N 1.787 122.991 121.223 -0.032 0.000 2.418 373 L HA 0.530 4.870 4.340 0.001 0.000 0.274 373 L C -0.520 176.254 176.870 -0.161 0.000 1.135 373 L CA -0.114 54.663 54.840 -0.106 0.000 0.870 373 L CB 1.207 43.242 42.059 -0.039 0.000 1.154 373 L HN -0.125 nan 8.230 nan 0.000 0.462 374 V N 6.363 125.985 119.914 -0.487 0.000 2.588 374 V HA 0.554 4.674 4.120 0.001 0.000 0.304 374 V C -0.168 175.699 176.094 -0.379 0.000 1.042 374 V CA -0.778 61.217 62.300 -0.508 0.000 0.877 374 V CB 1.844 33.084 31.823 -0.973 0.000 0.996 374 V HN 0.782 nan 8.190 nan 0.000 0.425 375 R N 4.432 124.879 120.500 -0.088 0.000 2.445 375 R HA 0.736 5.077 4.340 0.001 0.000 0.308 375 R C -1.658 174.721 176.300 0.131 0.000 0.961 375 R CA -0.607 55.519 56.100 0.044 0.000 0.862 375 R CB 1.212 31.563 30.300 0.085 0.000 1.144 375 R HN 0.693 nan 8.270 nan 0.000 0.447 376 L N 2.556 123.901 121.223 0.204 0.000 2.341 376 L HA 0.368 4.708 4.340 0.001 0.000 0.278 376 L C -0.103 176.924 176.870 0.262 0.000 1.005 376 L CA -0.714 54.300 54.840 0.290 0.000 0.818 376 L CB 2.069 44.327 42.059 0.333 0.000 1.259 376 L HN 0.561 nan 8.230 nan 0.000 0.418 377 S N 2.859 118.715 115.700 0.260 0.000 2.488 377 S HA 0.369 4.840 4.470 0.001 0.000 0.310 377 S C -0.263 174.445 174.600 0.180 0.000 1.093 377 S CA -0.608 57.667 58.200 0.124 0.000 1.129 377 S CB 0.348 63.544 63.200 -0.007 0.000 0.989 377 S HN 0.314 nan 8.310 nan 0.000 0.479 378 V N 5.801 125.848 119.914 0.223 0.000 2.485 378 V HA 0.324 4.445 4.120 0.001 0.000 0.287 378 V C 1.535 177.758 176.094 0.214 0.000 1.022 378 V CA 0.344 62.769 62.300 0.208 0.000 1.067 378 V CB 0.209 32.160 31.823 0.213 0.000 0.967 378 V HN 0.886 nan 8.190 nan 0.000 0.479 379 G N 3.808 112.618 108.800 0.016 0.000 2.494 379 G HA2 0.420 4.381 3.960 0.001 0.000 0.270 379 G HA3 0.420 4.381 3.960 0.001 0.000 0.270 379 G C 0.510 175.368 174.900 -0.070 0.000 1.423 379 G CA -0.745 44.380 45.100 0.041 0.000 1.055 379 G HN 0.646 nan 8.290 nan 0.000 0.536 380 L N 0.425 121.542 121.223 -0.177 0.000 2.640 380 L HA 0.201 4.542 4.340 0.001 0.000 0.230 380 L C 0.919 177.699 176.870 -0.149 0.000 1.123 380 L CA -0.153 54.549 54.840 -0.231 0.000 0.900 380 L CB -0.328 41.565 42.059 -0.277 0.000 1.146 380 L HN 0.519 nan 8.230 nan 0.000 0.484 381 E N 0.177 120.296 120.200 -0.136 0.000 2.391 381 E HA -0.022 4.329 4.350 0.001 0.000 0.255 381 E C -0.349 176.198 176.600 -0.088 0.000 1.187 381 E CA -0.561 55.774 56.400 -0.110 0.000 0.941 381 E CB 0.771 30.400 29.700 -0.119 0.000 1.010 381 E HN -0.066 nan 8.360 nan 0.000 0.458 382 D N 0.540 120.899 120.400 -0.070 0.000 2.531 382 D HA -0.091 4.549 4.640 0.001 0.000 0.239 382 D C 1.051 177.319 176.300 -0.054 0.000 1.144 382 D CA -0.066 53.901 54.000 -0.056 0.000 0.869 382 D CB 0.531 41.303 40.800 -0.046 0.000 1.160 382 D HN 0.426 nan 8.370 nan 0.000 0.484 383 I N 4.210 124.751 120.570 -0.048 0.000 2.335 383 I HA -0.276 3.894 4.170 0.001 0.000 0.251 383 I C 1.460 177.540 176.117 -0.063 0.000 1.129 383 I CA 1.483 62.755 61.300 -0.047 0.000 1.402 383 I CB -0.061 37.914 38.000 -0.041 0.000 1.069 383 I HN 0.377 nan 8.210 nan 0.000 0.424 384 D N 0.597 120.962 120.400 -0.059 0.000 2.144 384 D HA -0.167 4.474 4.640 0.001 0.000 0.199 384 D C 1.737 177.998 176.300 -0.066 0.000 0.984 384 D CA 1.374 55.334 54.000 -0.068 0.000 0.834 384 D CB -0.307 40.463 40.800 -0.050 0.000 0.955 384 D HN 0.430 nan 8.370 nan 0.000 0.465 385 D N -0.027 120.344 120.400 -0.049 0.000 2.183 385 D HA -0.078 4.563 4.640 0.001 0.000 0.203 385 D C 2.132 178.422 176.300 -0.016 0.000 0.969 385 D CA 0.186 54.164 54.000 -0.036 0.000 0.842 385 D CB -0.034 40.745 40.800 -0.036 0.000 0.957 385 D HN 0.111 nan 8.370 nan 0.000 0.484 386 L N 0.571 121.788 121.223 -0.010 0.000 2.072 386 L HA -0.032 4.309 4.340 0.001 0.000 0.205 386 L C 2.441 179.330 176.870 0.033 0.000 1.079 386 L CA 1.037 55.926 54.840 0.082 0.000 0.752 386 L CB -0.915 41.191 42.059 0.078 0.000 0.906 386 L HN 0.038 nan 8.230 nan 0.000 0.436 387 L N -1.109 120.043 121.223 -0.119 0.000 2.017 387 L HA -0.218 4.122 4.340 0.001 0.000 0.208 387 L C 2.610 179.311 176.870 -0.283 0.000 1.073 387 L CA 1.297 55.927 54.840 -0.350 0.000 0.745 387 L CB -0.719 41.075 42.059 -0.442 0.000 0.894 387 L HN 0.272 nan 8.230 nan 0.000 0.432 388 A N -0.433 122.298 122.820 -0.148 0.000 1.933 388 A HA -0.280 4.040 4.320 0.001 0.000 0.218 388 A C 1.971 179.532 177.584 -0.038 0.000 1.175 388 A CA 2.101 54.088 52.037 -0.083 0.000 0.628 388 A CB -0.575 18.395 19.000 -0.050 0.000 0.814 388 A HN 0.420 nan 8.150 nan 0.000 0.444 389 D N -0.458 119.938 120.400 -0.006 0.000 2.097 389 D HA -0.106 4.534 4.640 0.001 0.000 0.197 389 D C 1.898 178.185 176.300 -0.022 0.000 0.984 389 D CA 1.536 55.548 54.000 0.019 0.000 0.826 389 D CB -0.114 40.763 40.800 0.128 0.000 0.973 389 D HN 0.153 nan 8.370 nan 0.000 0.460 390 V N 0.281 120.193 119.914 -0.005 0.000 2.358 390 V HA -0.216 3.905 4.120 0.001 0.000 0.246 390 V C 2.493 178.694 176.094 0.178 0.000 1.047 390 V CA 1.769 64.106 62.300 0.061 0.000 1.035 390 V CB -0.703 31.166 31.823 0.077 0.000 0.658 390 V HN 0.222 nan 8.190 nan 0.000 0.452 391 Q N 0.541 120.411 119.800 0.115 0.000 2.030 391 Q HA -0.267 4.074 4.340 0.001 0.000 0.204 391 Q C 2.344 178.426 176.000 0.138 0.000 0.986 391 Q CA 2.364 58.294 55.803 0.212 0.000 0.843 391 Q CB -0.631 28.176 28.738 0.116 0.000 0.904 391 Q HN 0.642 nan 8.270 nan 0.000 0.420 392 Q N -0.438 119.399 119.800 0.062 0.000 2.124 392 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 392 Q C 1.777 177.793 176.000 0.026 0.000 0.977 392 Q CA 1.973 57.796 55.803 0.033 0.000 0.850 392 Q CB -0.414 28.324 28.738 0.001 0.000 0.901 392 Q HN 0.469 nan 8.270 nan 0.000 0.429 393 A N 0.458 123.269 122.820 -0.015 0.000 1.968 393 A HA -0.072 4.249 4.320 0.001 0.000 0.217 393 A C 2.047 179.759 177.584 0.214 0.000 1.169 393 A CA 0.808 52.785 52.037 -0.101 0.000 0.638 393 A CB -0.382 18.231 19.000 -0.645 0.000 0.812 393 A HN 0.374 nan 8.150 nan 0.000 0.446 394 L N -0.125 121.306 121.223 0.347 0.000 2.056 394 L HA -0.054 4.287 4.340 0.001 0.000 0.207 394 L C 2.288 179.262 176.870 0.173 0.000 1.078 394 L CA 2.113 57.151 54.840 0.330 0.000 0.749 394 L CB -0.622 41.569 42.059 0.219 0.000 0.901 394 L HN 0.436 nan 8.230 nan 0.000 0.433 395 K N -0.972 119.504 120.400 0.125 0.000 2.097 395 K HA -0.114 4.207 4.320 0.001 0.000 0.206 395 K C 1.868 178.510 176.600 0.070 0.000 1.049 395 K CA 1.213 57.547 56.287 0.078 0.000 0.933 395 K CB -0.077 32.460 32.500 0.062 0.000 0.717 395 K HN 0.330 nan 8.250 nan 0.000 0.442 396 A N 0.437 123.303 122.820 0.076 0.000 2.167 396 A HA -0.060 4.260 4.320 0.001 0.000 0.214 396 A C 1.838 179.470 177.584 0.081 0.000 1.151 396 A CA 1.333 53.405 52.037 0.059 0.000 0.735 396 A CB -0.363 18.655 19.000 0.031 0.000 0.802 396 A HN 0.459 nan 8.150 nan 0.000 0.467 397 S N -0.039 115.737 115.700 0.126 0.000 2.522 397 S HA 0.378 4.849 4.470 0.001 0.000 0.227 397 S C 1.210 175.854 174.600 0.073 0.000 0.986 397 S CA 0.407 58.684 58.200 0.128 0.000 0.929 397 S CB -0.714 62.592 63.200 0.177 0.000 0.769 397 S HN 0.837 nan 8.310 nan 0.000 0.529 398 A N 0.000 122.855 122.820 0.058 0.000 2.254 398 A HA 0.000 4.320 4.320 0.001 0.000 0.244 398 A CA 0.000 52.060 52.037 0.038 0.000 0.836 398 A CB 0.000 19.019 19.000 0.031 0.000 0.831 398 A HN 0.000 nan 8.150 nan 0.000 0.486