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 3kvl_1_A DATA FIRST_RESID 37 DATA SEQUENCE FYAEHLMPTL QGLLDPESAH RLAVRFTSLG LLPRARFQDS DMLEVRVLGH DATA SEQUENCE KFRNPVGIAA GFDKHGEAVD GLYKMGFGFV EIGSVTPKPQ EGNPRPRVFR DATA SEQUENCE LPEDQAVINR YGFNSHGLSV VEHRLRARQQ KQAKLTEDGL PLGVNLGKNK DATA SEQUENCE TSVDAAEDYA EGVRVLGPLA DYLVVNVSSP NTAGLRSLQG KAELRRLLTK DATA SEQUENCE VLQERDGLRR VHRPAVLVKI APDLTSQDKE DIASVVKELG IDGLIVTNTT DATA SEQUENCE VSRPAGLQGA LRSETGGLSG KPLRDLSTQT IREMYALTQG RVPIIGVGGV DATA SEQUENCE SSGQDALEKI RAGASLVQLY TALTFWGPPV VGKVKRELEA LLKEQGFGGV DATA SEQUENCE TDAIGADHR 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 37 F HA 0.000 nan 4.527 nan 0.000 0.279 37 F C 0.000 175.876 175.800 0.127 0.000 0.967 37 F CA 0.000 58.105 58.000 0.175 0.000 1.383 37 F CB 0.000 39.082 39.000 0.136 0.000 1.145 38 Y N 1.191 121.527 120.300 0.061 0.000 2.163 38 Y HA 0.087 4.639 4.550 0.003 0.000 0.288 38 Y C 2.626 178.524 175.900 -0.003 0.000 1.136 38 Y CA 2.494 60.583 58.100 -0.020 0.000 1.147 38 Y CB -0.745 37.781 38.460 0.109 0.000 0.987 38 Y HN 0.209 nan 8.280 nan 0.000 0.509 39 A N -0.314 122.661 122.820 0.258 0.000 1.969 39 A HA -0.140 4.183 4.320 0.004 0.000 0.218 39 A C 1.884 179.549 177.584 0.135 0.000 1.169 39 A CA 1.800 54.035 52.037 0.331 0.000 0.635 39 A CB -0.364 18.788 19.000 0.253 0.000 0.810 39 A HN 0.534 nan 8.150 nan 0.000 0.445 40 E N -2.456 117.677 120.200 -0.111 0.000 2.340 40 E HA 0.068 4.421 4.350 0.004 0.000 0.198 40 E C 1.182 177.458 176.600 -0.539 0.000 0.961 40 E CA 0.663 56.841 56.400 -0.370 0.000 0.905 40 E CB 0.151 29.485 29.700 -0.610 0.000 0.884 40 E HN 0.868 nan 8.360 nan 0.000 0.491 41 H N -0.892 118.045 119.070 -0.221 0.000 1.955 41 H HA 0.199 4.757 4.556 0.004 0.000 0.196 41 H C 1.789 176.865 175.328 -0.420 0.000 0.891 41 H CA -0.240 55.603 56.048 -0.342 0.000 1.001 41 H CB 0.488 29.961 29.762 -0.481 0.000 1.195 41 H HN -0.107 nan 8.280 nan 0.000 0.384 42 L N 0.501 121.383 121.223 -0.569 0.000 2.005 42 L HA -0.138 4.205 4.340 0.004 0.000 0.207 42 L C 1.793 178.543 176.870 -0.200 0.000 1.072 42 L CA 1.029 55.597 54.840 -0.453 0.000 0.744 42 L CB 0.002 41.655 42.059 -0.678 0.000 0.895 42 L HN 0.296 nan 8.230 nan 0.000 0.433 43 M N -0.174 119.357 119.600 -0.114 0.000 2.086 43 M HA -0.112 4.371 4.480 0.004 0.000 0.261 43 M C -0.107 176.169 176.300 -0.040 0.000 1.067 43 M CA 1.814 57.098 55.300 -0.027 0.000 1.116 43 M CB -2.462 30.170 32.600 0.053 0.000 1.348 43 M HN 0.124 nan 8.290 nan 0.000 0.407 44 P HA -0.072 nan 4.420 nan 0.000 0.217 44 P C 1.487 178.774 177.300 -0.022 0.000 1.150 44 P CA 1.396 64.488 63.100 -0.014 0.000 0.832 44 P CB -0.256 31.442 31.700 -0.003 0.000 0.787 45 T N -0.282 114.248 114.554 -0.040 0.000 2.857 45 T HA -0.079 4.274 4.350 0.004 0.000 0.266 45 T C 1.629 176.306 174.700 -0.038 0.000 1.048 45 T CA 0.750 62.829 62.100 -0.034 0.000 1.139 45 T CB -0.774 68.066 68.868 -0.046 0.000 0.874 45 T HN 0.006 nan 8.240 nan 0.000 0.455 46 L N 1.477 122.668 121.223 -0.054 0.000 2.027 46 L HA -0.009 4.334 4.340 0.004 0.000 0.206 46 L C 2.315 179.158 176.870 -0.044 0.000 1.074 46 L CA 1.765 56.573 54.840 -0.053 0.000 0.745 46 L CB -0.820 41.199 42.059 -0.067 0.000 0.898 46 L HN 0.180 nan 8.230 nan 0.000 0.433 47 Q N -0.485 119.286 119.800 -0.048 0.000 2.291 47 Q HA -0.102 4.241 4.340 0.004 0.000 0.206 47 Q C 1.884 177.867 176.000 -0.028 0.000 0.976 47 Q CA 1.085 56.859 55.803 -0.050 0.000 0.875 47 Q CB -0.435 28.268 28.738 -0.059 0.000 0.927 47 Q HN 0.728 nan 8.270 nan 0.000 0.450 48 G N -0.144 108.644 108.800 -0.019 0.000 2.712 48 G HA2 -0.013 3.950 3.960 0.004 0.000 0.212 48 G HA3 -0.013 3.950 3.960 0.004 0.000 0.212 48 G C 1.221 176.116 174.900 -0.009 0.000 1.142 48 G CA 0.092 45.187 45.100 -0.009 0.000 0.789 48 G HN 0.148 nan 8.290 nan 0.000 0.535 49 L N -0.946 120.269 121.223 -0.014 0.000 2.445 49 L HA 0.424 4.767 4.340 0.004 0.000 0.207 49 L C 0.620 177.483 176.870 -0.011 0.000 1.053 49 L CA 0.167 55.001 54.840 -0.010 0.000 0.841 49 L CB 0.114 42.167 42.059 -0.010 0.000 1.074 49 L HN 0.012 nan 8.230 nan 0.000 0.479 50 L N 0.977 122.190 121.223 -0.018 0.000 2.325 50 L HA 0.250 4.593 4.340 0.004 0.000 0.278 50 L C -0.395 176.459 176.870 -0.026 0.000 1.023 50 L CA -0.920 53.910 54.840 -0.017 0.000 0.811 50 L CB 1.590 43.640 42.059 -0.015 0.000 1.249 50 L HN 0.174 nan 8.230 nan 0.000 0.431 51 D N 3.119 123.502 120.400 -0.028 0.000 2.378 51 D HA 0.014 4.657 4.640 0.004 0.000 0.238 51 D C -2.033 174.233 176.300 -0.056 0.000 1.180 51 D CA -1.210 52.761 54.000 -0.049 0.000 0.895 51 D CB 1.112 41.877 40.800 -0.058 0.000 1.192 51 D HN 0.270 nan 8.370 nan 0.000 0.438 52 P HA -0.181 nan 4.420 nan 0.000 0.218 52 P C 1.298 178.597 177.300 -0.003 0.000 1.149 52 P CA 1.293 64.343 63.100 -0.084 0.000 0.817 52 P CB 0.158 31.766 31.700 -0.152 0.000 0.785 53 E N 0.104 120.293 120.200 -0.018 0.000 2.072 53 E HA -0.102 4.250 4.350 0.004 0.000 0.191 53 E C 2.020 178.677 176.600 0.095 0.000 0.985 53 E CA 1.201 57.659 56.400 0.098 0.000 0.801 53 E CB -0.249 29.474 29.700 0.037 0.000 0.750 53 E HN 0.059 nan 8.360 nan 0.000 0.452 54 S N 0.459 116.180 115.700 0.036 0.000 2.368 54 S HA -0.158 4.315 4.470 0.004 0.000 0.225 54 S C 2.030 176.657 174.600 0.045 0.000 1.030 54 S CA 0.970 59.188 58.200 0.031 0.000 0.999 54 S CB -0.265 62.942 63.200 0.012 0.000 0.844 54 S HN 0.490 nan 8.310 nan 0.000 0.459 55 A N 1.067 123.914 122.820 0.045 0.000 1.902 55 A HA -0.190 4.133 4.320 0.004 0.000 0.217 55 A C 1.897 179.561 177.584 0.133 0.000 1.181 55 A CA 1.765 53.832 52.037 0.050 0.000 0.623 55 A CB -1.026 17.980 19.000 0.010 0.000 0.818 55 A HN 0.739 nan 8.150 nan 0.000 0.443 56 H N -0.556 118.541 119.070 0.046 0.000 2.321 56 H HA -0.100 4.459 4.556 0.004 0.000 0.300 56 H C 2.401 177.731 175.328 0.004 0.000 1.087 56 H CA 1.393 57.486 56.048 0.074 0.000 1.319 56 H CB -0.002 29.822 29.762 0.103 0.000 1.379 56 H HN 0.423 nan 8.280 nan 0.000 0.501 57 R N -0.018 120.444 120.500 -0.063 0.000 2.091 57 R HA -0.144 4.198 4.340 0.004 0.000 0.238 57 R C 2.496 178.786 176.300 -0.017 0.000 1.136 57 R CA 1.292 57.307 56.100 -0.141 0.000 0.959 57 R CB -0.330 29.932 30.300 -0.063 0.000 0.856 57 R HN 0.280 nan 8.270 nan 0.000 0.437 58 L N 0.777 122.035 121.223 0.059 0.000 2.093 58 L HA -0.053 4.290 4.340 0.004 0.000 0.208 58 L C 2.254 179.240 176.870 0.193 0.000 1.085 58 L CA 1.774 56.694 54.840 0.134 0.000 0.755 58 L CB -0.578 41.527 42.059 0.077 0.000 0.904 58 L HN 0.120 nan 8.230 nan 0.000 0.435 59 A N -1.280 121.637 122.820 0.163 0.000 1.902 59 A HA -0.127 4.196 4.320 0.004 0.000 0.217 59 A C 2.251 180.021 177.584 0.311 0.000 1.181 59 A CA 1.849 54.044 52.037 0.264 0.000 0.623 59 A CB -1.007 18.227 19.000 0.389 0.000 0.818 59 A HN 0.283 nan 8.150 nan 0.000 0.443 60 V N 0.079 120.049 119.914 0.093 0.000 2.343 60 V HA -0.239 3.884 4.120 0.004 0.000 0.247 60 V C 2.679 178.809 176.094 0.060 0.000 1.051 60 V CA 2.363 64.619 62.300 -0.074 0.000 1.036 60 V CB -0.809 30.799 31.823 -0.358 0.000 0.654 60 V HN 0.638 nan 8.190 nan 0.000 0.451 61 R N 0.141 120.700 120.500 0.097 0.000 2.070 61 R HA -0.138 4.205 4.340 0.004 0.000 0.233 61 R C 2.012 178.406 176.300 0.156 0.000 1.137 61 R CA 1.900 58.066 56.100 0.110 0.000 0.945 61 R CB -1.014 29.360 30.300 0.124 0.000 0.845 61 R HN 0.384 nan 8.270 nan 0.000 0.430 62 F N 0.307 120.299 119.950 0.070 0.000 2.161 62 F HA -0.178 4.352 4.527 0.004 0.000 0.300 62 F C 2.318 178.178 175.800 0.100 0.000 1.089 62 F CA 2.098 60.152 58.000 0.089 0.000 1.282 62 F CB -0.659 38.408 39.000 0.113 0.000 1.010 62 F HN 0.093 nan 8.300 nan 0.000 0.485 63 T N -1.056 113.683 114.554 0.309 0.000 2.777 63 T HA -0.162 4.191 4.350 0.004 0.000 0.266 63 T C 2.279 177.067 174.700 0.146 0.000 1.040 63 T CA 1.577 63.819 62.100 0.236 0.000 1.141 63 T CB -0.561 68.487 68.868 0.299 0.000 0.868 63 T HN 0.380 nan 8.240 nan 0.000 0.444 64 S N 1.774 117.539 115.700 0.109 0.000 2.402 64 S HA 0.052 4.525 4.470 0.004 0.000 0.229 64 S C 1.913 176.537 174.600 0.041 0.000 1.021 64 S CA 0.707 58.944 58.200 0.060 0.000 0.974 64 S CB -0.721 62.498 63.200 0.033 0.000 0.800 64 S HN 0.437 nan 8.310 nan 0.000 0.484 65 L N 1.230 122.467 121.223 0.023 0.000 2.599 65 L HA 0.259 4.602 4.340 0.004 0.000 0.230 65 L C 1.664 178.535 176.870 0.002 0.000 1.141 65 L CA 0.303 55.133 54.840 -0.017 0.000 0.877 65 L CB -0.910 41.093 42.059 -0.094 0.000 1.009 65 L HN 0.607 nan 8.230 nan 0.000 0.447 66 G N 0.472 109.300 108.800 0.047 0.000 2.246 66 G HA2 -0.278 3.685 3.960 0.004 0.000 0.273 66 G HA3 -0.278 3.685 3.960 0.004 0.000 0.273 66 G C 0.730 175.669 174.900 0.065 0.000 1.055 66 G CA 0.163 45.302 45.100 0.065 0.000 0.851 66 G HN 0.341 nan 8.290 nan 0.000 0.500 67 L N -1.482 119.788 121.223 0.079 0.000 2.395 67 L HA 0.154 4.496 4.340 0.004 0.000 0.218 67 L C 1.309 178.286 176.870 0.179 0.000 1.130 67 L CA 0.275 55.168 54.840 0.088 0.000 0.826 67 L CB -0.301 41.761 42.059 0.006 0.000 0.941 67 L HN 0.229 nan 8.230 nan 0.000 0.451 68 L N 0.089 121.429 121.223 0.195 0.000 2.453 68 L HA 0.260 4.603 4.340 0.004 0.000 0.261 68 L C -1.853 175.098 176.870 0.134 0.000 1.179 68 L CA -1.722 53.232 54.840 0.190 0.000 0.813 68 L CB -0.947 41.212 42.059 0.166 0.000 1.110 68 L HN -0.166 nan 8.230 nan 0.000 0.466 69 P HA 0.111 nan 4.420 nan 0.000 0.271 69 P C -0.621 176.724 177.300 0.075 0.000 1.218 69 P CA -0.611 62.546 63.100 0.095 0.000 0.780 69 P CB 0.554 32.315 31.700 0.101 0.000 0.901 70 R N 2.098 122.637 120.500 0.065 0.000 2.449 70 R HA 0.347 4.690 4.340 0.004 0.000 0.296 70 R C 0.178 176.510 176.300 0.053 0.000 1.047 70 R CA -0.302 55.833 56.100 0.059 0.000 1.018 70 R CB -0.084 30.248 30.300 0.053 0.000 0.962 70 R HN 0.592 nan 8.270 nan 0.000 0.428 71 A N 4.610 127.459 122.820 0.047 0.000 2.565 71 A HA -0.038 4.285 4.320 0.004 0.000 0.237 71 A C 0.776 178.401 177.584 0.068 0.000 1.053 71 A CA 0.236 52.302 52.037 0.048 0.000 0.755 71 A CB 0.308 19.329 19.000 0.035 0.000 0.980 71 A HN 1.026 nan 8.150 nan 0.000 0.506 72 R N 1.463 122.010 120.500 0.079 0.000 2.075 72 R HA -0.007 4.335 4.340 0.004 0.000 0.226 72 R C 0.375 176.726 176.300 0.085 0.000 1.114 72 R CA 0.553 56.695 56.100 0.071 0.000 0.972 72 R CB -0.107 30.234 30.300 0.068 0.000 0.869 72 R HN 0.722 nan 8.270 nan 0.000 0.437 73 F N 3.347 123.291 119.950 -0.010 0.000 2.593 73 F HA -0.097 4.431 4.527 0.001 0.000 0.393 73 F C 0.091 175.890 175.800 -0.001 0.000 1.037 73 F CA 0.508 58.502 58.000 -0.009 0.000 1.195 73 F CB 0.403 39.391 39.000 -0.021 0.000 1.034 73 F HN -0.032 nan 8.300 nan 0.000 0.552 74 Q N 5.618 125.061 119.800 -0.596 0.000 2.290 74 Q HA 0.162 4.504 4.340 0.004 0.000 0.259 74 Q C -0.824 174.797 176.000 -0.631 0.000 0.941 74 Q CA -0.962 54.594 55.803 -0.412 0.000 0.912 74 Q CB 1.304 29.885 28.738 -0.261 0.000 1.244 74 Q HN 0.556 nan 8.270 nan 0.000 0.441 75 D N 2.162 122.445 120.400 -0.195 0.000 2.425 75 D HA 0.027 4.670 4.640 0.004 0.000 0.247 75 D C 0.329 176.596 176.300 -0.055 0.000 1.147 75 D CA 0.323 54.324 54.000 0.001 0.000 0.879 75 D CB 0.873 41.766 40.800 0.154 0.000 1.179 75 D HN 0.462 nan 8.370 nan 0.000 0.456 76 S N 1.265 116.956 115.700 -0.014 0.000 2.652 76 S HA 0.153 4.626 4.470 0.004 0.000 0.270 76 S C 0.766 175.393 174.600 0.045 0.000 1.243 76 S CA -0.774 57.424 58.200 -0.003 0.000 0.999 76 S CB 1.481 64.687 63.200 0.010 0.000 0.973 76 S HN 0.202 nan 8.310 nan 0.000 0.544 77 D N 0.842 121.262 120.400 0.033 0.000 2.265 77 D HA -0.099 4.544 4.640 0.004 0.000 0.208 77 D C 1.687 178.023 176.300 0.059 0.000 0.977 77 D CA 1.243 55.269 54.000 0.044 0.000 0.871 77 D CB -0.329 40.490 40.800 0.032 0.000 0.925 77 D HN 0.573 nan 8.370 nan 0.000 0.485 78 M N -0.281 119.357 119.600 0.064 0.000 2.267 78 M HA -0.113 4.370 4.480 0.004 0.000 0.263 78 M C 1.762 178.110 176.300 0.080 0.000 1.063 78 M CA 0.968 56.312 55.300 0.073 0.000 1.090 78 M CB -0.012 32.638 32.600 0.082 0.000 1.392 78 M HN 0.031 nan 8.290 nan 0.000 0.422 79 L N -0.839 120.444 121.223 0.099 0.000 2.567 79 L HA 0.083 4.425 4.340 0.004 0.000 0.225 79 L C 1.053 177.990 176.870 0.112 0.000 1.119 79 L CA -0.173 54.733 54.840 0.112 0.000 0.871 79 L CB -0.224 41.931 42.059 0.160 0.000 1.036 79 L HN 0.249 nan 8.230 nan 0.000 0.459 80 E N 1.288 121.549 120.200 0.102 0.000 2.384 80 E HA 0.223 4.575 4.350 0.004 0.000 0.266 80 E C -1.150 175.508 176.600 0.098 0.000 1.012 80 E CA -0.129 56.338 56.400 0.113 0.000 0.901 80 E CB 1.069 30.825 29.700 0.092 0.000 0.967 80 E HN -0.132 nan 8.360 nan 0.000 0.435 81 V N 5.458 125.450 119.914 0.130 0.000 2.656 81 V HA 0.407 4.529 4.120 0.004 0.000 0.307 81 V C -0.423 175.769 176.094 0.164 0.000 1.051 81 V CA -0.799 61.551 62.300 0.085 0.000 0.893 81 V CB 1.937 33.748 31.823 -0.020 0.000 0.999 81 V HN 0.693 nan 8.190 nan 0.000 0.426 82 R N 2.763 123.327 120.500 0.106 0.000 2.288 82 R HA 0.838 5.180 4.340 0.004 0.000 0.326 82 R C -1.189 175.166 176.300 0.090 0.000 0.959 82 R CA -0.432 55.749 56.100 0.136 0.000 0.834 82 R CB 2.017 32.364 30.300 0.079 0.000 1.157 82 R HN 0.478 nan 8.270 nan 0.000 0.470 83 V N 4.211 124.218 119.914 0.155 0.000 3.264 83 V HA 0.216 4.339 4.120 0.004 0.000 0.294 83 V C -0.259 175.936 176.094 0.168 0.000 1.429 83 V CA -0.720 61.617 62.300 0.062 0.000 1.053 83 V CB 1.871 33.633 31.823 -0.102 0.000 1.128 83 V HN 0.923 nan 8.190 nan 0.000 0.452 84 L N 3.966 125.237 121.223 0.079 0.000 4.179 84 L HA -0.209 4.133 4.340 0.004 0.000 0.418 84 L C 1.275 178.236 176.870 0.152 0.000 1.168 84 L CA 1.044 55.959 54.840 0.126 0.000 0.972 84 L CB -1.616 40.544 42.059 0.169 0.000 2.005 84 L HN 1.734 nan 8.230 nan 0.000 0.935 85 G N -1.381 107.434 108.800 0.025 0.000 2.143 85 G HA2 -0.267 3.696 3.960 0.004 0.000 0.249 85 G HA3 -0.267 3.696 3.960 0.004 0.000 0.249 85 G C -0.023 174.604 174.900 -0.456 0.000 0.981 85 G CA 0.658 45.647 45.100 -0.186 0.000 0.665 85 G HN 0.689 nan 8.290 nan 0.000 0.528 86 H N -1.223 117.891 119.070 0.073 0.000 2.985 86 H HA 0.656 5.215 4.556 0.004 0.000 0.360 86 H C -0.151 175.188 175.328 0.018 0.000 1.221 86 H CA -0.686 55.346 56.048 -0.027 0.000 1.121 86 H CB 1.436 31.078 29.762 -0.200 0.000 1.854 86 H HN 0.187 nan 8.280 nan 0.000 0.551 87 K N 1.608 122.040 120.400 0.054 0.000 2.172 87 K HA 0.354 4.676 4.320 0.004 0.000 0.276 87 K C -1.470 175.087 176.600 -0.072 0.000 1.013 87 K CA -0.419 55.911 56.287 0.072 0.000 0.913 87 K CB 0.540 33.062 32.500 0.036 0.000 1.055 87 K HN 0.330 nan 8.250 nan 0.000 0.461 88 F N 4.125 124.103 119.950 0.046 0.000 2.427 88 F HA 0.322 4.851 4.527 0.004 0.000 0.348 88 F C 1.274 177.126 175.800 0.087 0.000 1.125 88 F CA -0.911 57.127 58.000 0.064 0.000 0.989 88 F CB 1.669 40.672 39.000 0.004 0.000 1.165 88 F HN 0.614 nan 8.300 nan 0.000 0.442 89 R N 1.234 121.868 120.500 0.224 0.000 2.148 89 R HA -0.043 4.299 4.340 0.004 0.000 0.227 89 R C -0.412 176.012 176.300 0.208 0.000 1.103 89 R CA 1.326 57.530 56.100 0.172 0.000 0.983 89 R CB -0.412 29.962 30.300 0.122 0.000 0.874 89 R HN 0.706 nan 8.270 nan 0.000 0.451 90 N N -1.298 117.569 118.700 0.278 0.000 2.610 90 N HA 0.253 4.996 4.740 0.004 0.000 0.264 90 N C -2.771 172.933 175.510 0.323 0.000 1.348 90 N CA -2.005 51.200 53.050 0.258 0.000 0.819 90 N CB 2.105 40.734 38.487 0.237 0.000 1.521 90 N HN -0.292 nan 8.380 nan 0.000 0.497 91 P HA 0.139 nan 4.420 nan 0.000 0.257 91 P C -0.741 176.777 177.300 0.363 0.000 1.325 91 P CA 0.108 63.340 63.100 0.220 0.000 0.850 91 P CB 0.271 32.017 31.700 0.077 0.000 1.324 92 V N 0.569 120.695 119.914 0.354 0.000 2.311 92 V HA 0.611 4.734 4.120 0.004 0.000 0.275 92 V C 0.877 177.104 176.094 0.223 0.000 1.022 92 V CA -0.459 61.999 62.300 0.262 0.000 0.830 92 V CB 1.118 33.027 31.823 0.143 0.000 1.012 92 V HN 0.095 nan 8.190 nan 0.000 0.452 93 G N 3.411 112.085 108.800 -0.209 0.000 2.489 93 G HA2 0.664 4.627 3.960 0.004 0.000 0.327 93 G HA3 0.664 4.627 3.960 0.004 0.000 0.327 93 G C -1.037 173.428 174.900 -0.725 0.000 1.189 93 G CA -0.799 43.722 45.100 -0.966 0.000 0.962 93 G HN 0.577 nan 8.290 nan 0.000 0.486 94 I N 1.333 121.160 120.570 -1.238 0.000 2.371 94 I HA 0.579 4.751 4.170 0.004 0.000 0.290 94 I C 0.841 176.595 176.117 -0.605 0.000 1.028 94 I CA -0.517 60.044 61.300 -1.232 0.000 1.345 94 I CB 0.688 37.736 38.000 -1.587 0.000 1.407 94 I HN 0.637 nan 8.210 nan 0.000 0.501 95 A N 6.414 129.020 122.820 -0.357 0.000 2.366 95 A HA 0.705 5.027 4.320 0.004 0.000 0.249 95 A C 0.477 177.976 177.584 -0.141 0.000 1.084 95 A CA -0.066 51.887 52.037 -0.139 0.000 0.794 95 A CB -0.132 18.881 19.000 0.022 0.000 1.034 95 A HN 1.128 nan 8.150 nan 0.000 0.491 96 A N -0.330 122.472 122.820 -0.030 0.000 2.507 96 A HA 0.481 4.803 4.320 0.004 0.000 0.235 96 A C 1.578 179.166 177.584 0.006 0.000 1.070 96 A CA 0.955 52.976 52.037 -0.025 0.000 0.768 96 A CB -0.533 18.495 19.000 0.046 0.000 1.011 96 A HN 2.725 nan 8.150 nan 0.000 0.502 97 G N -0.166 108.603 108.800 -0.052 0.000 2.313 97 G HA2 -0.278 3.685 3.960 0.004 0.000 0.215 97 G HA3 -0.278 3.685 3.960 0.004 0.000 0.215 97 G C 0.886 175.712 174.900 -0.123 0.000 1.023 97 G CA 0.923 46.038 45.100 0.026 0.000 0.626 97 G HN 1.313 nan 8.290 nan 0.000 0.503 98 F N 2.147 121.694 119.950 -0.670 0.000 2.118 98 F HA 0.345 4.876 4.527 0.006 0.000 0.293 98 F C 0.960 176.634 175.800 -0.210 0.000 1.102 98 F CA 1.636 59.207 58.000 -0.716 0.000 1.247 98 F CB 0.287 38.658 39.000 -1.048 0.000 1.017 98 F HN 0.076 nan 8.300 nan 0.000 0.475 99 D N 0.498 120.685 120.400 -0.355 0.000 2.540 99 D HA 0.149 4.792 4.640 0.004 0.000 0.251 99 D C 0.771 176.828 176.300 -0.406 0.000 1.159 99 D CA -0.001 53.757 54.000 -0.404 0.000 0.974 99 D CB 0.375 41.043 40.800 -0.220 0.000 0.996 99 D HN 0.197 nan 8.370 nan 0.000 0.512 100 K N 0.200 120.239 120.400 -0.601 0.000 2.211 100 K HA -0.092 4.230 4.320 0.004 0.000 0.203 100 K C 0.474 176.679 176.600 -0.658 0.000 1.050 100 K CA 1.022 56.906 56.287 -0.672 0.000 0.945 100 K CB 0.148 32.109 32.500 -0.897 0.000 0.732 100 K HN 0.520 nan 8.250 nan 0.000 0.451 101 H N -1.717 117.157 119.070 -0.326 0.000 2.592 101 H HA 0.243 4.802 4.556 0.005 0.000 0.279 101 H C 0.475 175.693 175.328 -0.183 0.000 1.089 101 H CA 0.041 55.894 56.048 -0.324 0.000 1.150 101 H CB 1.213 30.566 29.762 -0.682 0.000 1.575 101 H HN 0.259 nan 8.280 nan 0.000 0.547 102 G N 1.524 110.251 108.800 -0.122 0.000 2.225 102 G HA2 -0.323 3.639 3.960 0.004 0.000 0.264 102 G HA3 -0.323 3.639 3.960 0.004 0.000 0.264 102 G C 0.552 175.428 174.900 -0.041 0.000 1.060 102 G CA 0.497 45.550 45.100 -0.078 0.000 0.833 102 G HN 0.598 nan 8.290 nan 0.000 0.498 103 E N -0.786 119.379 120.200 -0.059 0.000 2.415 103 E HA 0.409 4.762 4.350 0.004 0.000 0.197 103 E C 1.982 178.570 176.600 -0.020 0.000 1.007 103 E CA 0.626 57.012 56.400 -0.022 0.000 0.890 103 E CB 0.383 30.072 29.700 -0.019 0.000 0.891 103 E HN 0.780 nan 8.360 nan 0.000 0.496 104 A N 0.428 123.225 122.820 -0.038 0.000 2.605 104 A HA 0.225 4.548 4.320 0.004 0.000 0.292 104 A C 1.562 179.142 177.584 -0.008 0.000 1.055 104 A CA -0.236 51.804 52.037 0.005 0.000 0.969 104 A CB 0.168 19.192 19.000 0.040 0.000 1.236 104 A HN 0.027 nan 8.150 nan 0.000 0.534 105 V N 0.455 120.341 119.914 -0.047 0.000 2.287 105 V HA -0.262 3.861 4.120 0.004 0.000 0.248 105 V C 2.142 178.178 176.094 -0.096 0.000 1.053 105 V CA 2.541 64.765 62.300 -0.126 0.000 1.027 105 V CB -0.456 31.328 31.823 -0.065 0.000 0.646 105 V HN 0.559 nan 8.190 nan 0.000 0.447 106 D N 0.393 120.833 120.400 0.067 0.000 2.144 106 D HA -0.096 4.547 4.640 0.004 0.000 0.200 106 D C 2.195 178.582 176.300 0.145 0.000 0.978 106 D CA 1.596 55.704 54.000 0.179 0.000 0.833 106 D CB -0.336 40.551 40.800 0.145 0.000 0.961 106 D HN 0.514 nan 8.370 nan 0.000 0.470 107 G N 1.042 109.900 108.800 0.095 0.000 2.432 107 G HA2 -0.182 3.780 3.960 0.004 0.000 0.219 107 G HA3 -0.182 3.780 3.960 0.004 0.000 0.219 107 G C 1.827 176.797 174.900 0.116 0.000 1.135 107 G CA 0.188 45.354 45.100 0.110 0.000 0.767 107 G HN 0.220 nan 8.290 nan 0.000 0.550 108 L N -1.147 120.114 121.223 0.063 0.000 2.109 108 L HA 0.009 4.352 4.340 0.004 0.000 0.207 108 L C 2.613 179.571 176.870 0.147 0.000 1.086 108 L CA 0.737 55.629 54.840 0.087 0.000 0.760 108 L CB -0.388 41.611 42.059 -0.099 0.000 0.910 108 L HN 0.238 nan 8.230 nan 0.000 0.437 109 Y N 0.007 120.404 120.300 0.161 0.000 2.224 109 Y HA -0.276 4.276 4.550 0.004 0.000 0.289 109 Y C 2.715 178.677 175.900 0.104 0.000 1.146 109 Y CA 1.133 59.318 58.100 0.142 0.000 1.182 109 Y CB -0.117 38.402 38.460 0.099 0.000 0.983 109 Y HN 0.092 nan 8.280 nan 0.000 0.524 110 K N 0.613 121.154 120.400 0.235 0.000 2.147 110 K HA -0.226 4.097 4.320 0.004 0.000 0.205 110 K C 2.067 178.722 176.600 0.093 0.000 1.049 110 K CA 1.310 57.685 56.287 0.146 0.000 0.936 110 K CB -0.200 32.373 32.500 0.122 0.000 0.722 110 K HN 0.314 nan 8.250 nan 0.000 0.446 111 M N -0.947 118.699 119.600 0.077 0.000 2.476 111 M HA -0.025 4.458 4.480 0.004 0.000 0.262 111 M C 0.661 176.864 176.300 -0.163 0.000 1.079 111 M CA 1.556 56.832 55.300 -0.040 0.000 1.104 111 M CB 0.430 33.008 32.600 -0.036 0.000 1.409 111 M HN 0.457 nan 8.290 nan 0.000 0.467 112 G N -0.488 108.275 108.800 -0.061 0.000 2.192 112 G HA2 -0.197 3.765 3.960 0.004 0.000 0.193 112 G HA3 -0.197 3.765 3.960 0.004 0.000 0.193 112 G C -0.098 174.763 174.900 -0.064 0.000 0.999 112 G CA -0.638 44.426 45.100 -0.060 0.000 0.659 112 G HN 0.385 nan 8.290 nan 0.000 0.503 113 F N 1.160 121.150 119.950 0.067 0.000 2.529 113 F HA 0.435 4.966 4.527 0.007 0.000 0.365 113 F C 1.858 177.787 175.800 0.215 0.000 1.102 113 F CA 0.902 58.931 58.000 0.049 0.000 1.271 113 F CB 1.359 40.301 39.000 -0.096 0.000 1.120 113 F HN 0.017 nan 8.300 nan 0.000 0.579 114 G N 3.305 112.383 108.800 0.464 0.000 2.623 114 G HA2 0.074 4.037 3.960 0.004 0.000 0.214 114 G HA3 0.074 4.037 3.960 0.004 0.000 0.214 114 G C -0.238 175.122 174.900 0.767 0.000 1.138 114 G CA 0.197 45.624 45.100 0.545 0.000 0.794 114 G HN 0.602 nan 8.290 nan 0.000 0.535 115 F N -2.738 117.489 119.950 0.462 0.000 2.693 115 F HA 0.712 5.241 4.527 0.004 0.000 0.309 115 F C -1.455 174.467 175.800 0.204 0.000 1.129 115 F CA -1.633 56.637 58.000 0.450 0.000 0.948 115 F CB 1.483 40.819 39.000 0.560 0.000 1.315 115 F HN -0.178 nan 8.300 nan 0.000 0.447 116 V N 1.214 121.192 119.914 0.106 0.000 2.540 116 V HA 0.466 4.588 4.120 0.004 0.000 0.302 116 V C -0.966 175.067 176.094 -0.102 0.000 1.035 116 V CA -0.574 61.572 62.300 -0.257 0.000 0.873 116 V CB 1.714 33.227 31.823 -0.516 0.000 0.992 116 V HN 0.871 nan 8.190 nan 0.000 0.428 117 E N 4.390 124.489 120.200 -0.168 0.000 2.176 117 E HA 0.623 4.976 4.350 0.004 0.000 0.267 117 E C -0.880 175.628 176.600 -0.153 0.000 0.893 117 E CA -0.627 55.712 56.400 -0.101 0.000 0.761 117 E CB 1.672 31.401 29.700 0.048 0.000 1.133 117 E HN 0.744 nan 8.360 nan 0.000 0.409 118 I N 1.077 121.557 120.570 -0.151 0.000 2.793 118 I HA 0.933 5.106 4.170 0.004 0.000 0.313 118 I C 0.479 176.513 176.117 -0.138 0.000 0.998 118 I CA -0.241 60.964 61.300 -0.159 0.000 1.140 118 I CB 1.750 39.659 38.000 -0.152 0.000 1.327 118 I HN 0.721 nan 8.210 nan 0.000 0.491 119 G N 2.206 110.904 108.800 -0.170 0.000 2.422 119 G HA2 -0.073 3.890 3.960 0.004 0.000 0.607 119 G HA3 -0.073 3.890 3.960 0.004 0.000 0.607 119 G C -0.758 174.068 174.900 -0.123 0.000 1.270 119 G CA -0.470 44.539 45.100 -0.152 0.000 0.992 119 G HN 0.858 nan 8.290 nan 0.000 0.499 120 S N -1.003 114.652 115.700 -0.074 0.000 2.564 120 S HA 0.499 4.972 4.470 0.004 0.000 0.278 120 S C 0.541 174.989 174.600 -0.253 0.000 1.333 120 S CA -0.177 57.914 58.200 -0.182 0.000 1.048 120 S CB 1.360 64.353 63.200 -0.346 0.000 0.900 120 S HN 1.155 nan 8.310 nan 0.000 0.505 121 V N 3.290 123.060 119.914 -0.239 0.000 2.435 121 V HA 0.515 4.638 4.120 0.004 0.000 0.290 121 V C 0.591 176.531 176.094 -0.257 0.000 1.030 121 V CA -0.868 61.319 62.300 -0.188 0.000 0.881 121 V CB 1.494 33.248 31.823 -0.115 0.000 0.983 121 V HN 1.017 nan 8.190 nan 0.000 0.445 122 T N 2.310 116.735 114.554 -0.214 0.000 2.943 122 T HA 0.477 4.829 4.350 0.004 0.000 0.284 122 T C -2.050 172.571 174.700 -0.131 0.000 1.015 122 T CA -2.083 59.886 62.100 -0.218 0.000 1.042 122 T CB 2.143 70.913 68.868 -0.163 0.000 1.055 122 T HN 0.349 nan 8.240 nan 0.000 0.500 123 P HA -0.024 nan 4.420 nan 0.000 0.213 123 P C 0.212 177.480 177.300 -0.053 0.000 1.170 123 P CA 1.259 64.306 63.100 -0.088 0.000 0.898 123 P CB 0.147 31.793 31.700 -0.090 0.000 0.787 124 K N -0.889 119.486 120.400 -0.042 0.000 2.098 124 K HA 0.394 4.717 4.320 0.004 0.000 0.258 124 K C -2.479 174.115 176.600 -0.010 0.000 0.973 124 K CA -2.922 53.352 56.287 -0.021 0.000 0.898 124 K CB -0.710 31.781 32.500 -0.015 0.000 1.057 124 K HN -0.113 nan 8.250 nan 0.000 0.447 125 P HA 0.009 nan 4.420 nan 0.000 0.267 125 P C -0.819 176.493 177.300 0.019 0.000 1.200 125 P CA 0.143 63.248 63.100 0.009 0.000 0.772 125 P CB 0.387 32.081 31.700 -0.011 0.000 0.855 126 Q N -0.078 119.747 119.800 0.042 0.000 2.472 126 Q HA 0.362 4.704 4.340 0.004 0.000 0.281 126 Q C -0.243 175.803 176.000 0.076 0.000 0.997 126 Q CA -0.752 55.084 55.803 0.055 0.000 0.828 126 Q CB 1.345 30.123 28.738 0.068 0.000 1.443 126 Q HN 0.249 nan 8.270 nan 0.000 0.390 127 E N 0.747 120.990 120.200 0.072 0.000 2.318 127 E HA 0.156 4.509 4.350 0.004 0.000 0.193 127 E C 0.636 177.306 176.600 0.115 0.000 0.998 127 E CA 0.775 57.223 56.400 0.080 0.000 0.859 127 E CB 0.273 30.007 29.700 0.057 0.000 0.812 127 E HN 0.851 nan 8.360 nan 0.000 0.492 128 G N 1.646 110.520 108.800 0.123 0.000 2.681 128 G HA2 -0.224 3.738 3.960 0.004 0.000 0.220 128 G HA3 -0.224 3.738 3.960 0.004 0.000 0.220 128 G C -0.400 174.564 174.900 0.107 0.000 1.353 128 G CA -0.500 44.688 45.100 0.146 0.000 0.872 128 G HN 0.127 nan 8.290 nan 0.000 0.557 129 N N 2.043 120.803 118.700 0.100 0.000 2.444 129 N HA 0.457 5.199 4.740 0.004 0.000 0.255 129 N C -1.787 173.752 175.510 0.048 0.000 1.255 129 N CA -0.457 52.628 53.050 0.059 0.000 0.933 129 N CB 0.344 38.853 38.487 0.038 0.000 1.143 129 N HN 0.538 nan 8.380 nan 0.000 0.453 130 P HA 0.099 nan 4.420 nan 0.000 0.269 130 P C -0.318 176.986 177.300 0.007 0.000 1.215 130 P CA 0.117 63.231 63.100 0.024 0.000 0.780 130 P CB 0.954 32.668 31.700 0.023 0.000 0.898 131 R N 1.742 122.240 120.500 -0.003 0.000 2.500 131 R HA 0.455 4.798 4.340 0.004 0.000 0.275 131 R C -1.516 174.779 176.300 -0.008 0.000 1.051 131 R CA -1.476 54.602 56.100 -0.036 0.000 1.088 131 R CB -0.325 29.951 30.300 -0.040 0.000 1.063 131 R HN 0.507 nan 8.270 nan 0.000 0.511 132 P HA 0.175 nan 4.420 nan 0.000 0.277 132 P C -0.615 176.576 177.300 -0.181 0.000 1.240 132 P CA -0.395 62.621 63.100 -0.140 0.000 0.798 132 P CB 0.841 32.458 31.700 -0.137 0.000 0.979 133 R N -0.115 120.109 120.500 -0.460 0.000 2.527 133 R HA 0.387 4.730 4.340 0.004 0.000 0.402 133 R C -0.274 175.613 176.300 -0.688 0.000 0.933 133 R CA -0.376 55.483 56.100 -0.401 0.000 1.171 133 R CB -0.015 30.097 30.300 -0.313 0.000 1.612 133 R HN 0.274 nan 8.270 nan 0.000 0.546 134 V N -1.522 117.750 119.914 -1.071 0.000 2.808 134 V HA 0.770 4.893 4.120 0.004 0.000 0.308 134 V C -1.531 173.902 176.094 -1.100 0.000 1.099 134 V CA -1.036 60.762 62.300 -0.837 0.000 0.920 134 V CB 1.663 33.152 31.823 -0.557 0.000 1.014 134 V HN 0.064 nan 8.190 nan 0.000 0.425 135 F N 1.773 121.650 119.950 -0.122 0.000 2.574 135 F HA 0.722 5.251 4.527 0.004 0.000 0.313 135 F C 0.294 176.052 175.800 -0.070 0.000 1.130 135 F CA -0.770 57.180 58.000 -0.083 0.000 0.936 135 F CB 2.349 41.309 39.000 -0.067 0.000 1.219 135 F HN 0.432 nan 8.300 nan 0.000 0.445 136 R N 2.320 122.877 120.500 0.095 0.000 2.404 136 R HA 0.627 4.970 4.340 0.004 0.000 0.291 136 R C -1.283 175.099 176.300 0.137 0.000 1.025 136 R CA -0.924 55.224 56.100 0.080 0.000 0.991 136 R CB 1.132 31.445 30.300 0.022 0.000 1.053 136 R HN 0.424 nan 8.270 nan 0.000 0.479 137 L N 5.343 126.671 121.223 0.175 0.000 2.506 137 L HA 0.263 4.606 4.340 0.004 0.000 0.247 137 L C -1.616 175.301 176.870 0.079 0.000 1.141 137 L CA -1.613 53.288 54.840 0.101 0.000 0.973 137 L CB 1.347 43.439 42.059 0.054 0.000 1.319 137 L HN 0.449 nan 8.230 nan 0.000 0.455 138 P HA -0.167 nan 4.420 nan 0.000 0.216 138 P C 0.842 178.056 177.300 -0.143 0.000 1.150 138 P CA 1.206 64.306 63.100 0.000 0.000 0.837 138 P CB 0.564 32.316 31.700 0.086 0.000 0.786 139 E N -0.171 119.988 120.200 -0.069 0.000 2.333 139 E HA -0.123 4.230 4.350 0.004 0.000 0.198 139 E C 1.214 177.757 176.600 -0.095 0.000 1.007 139 E CA 1.007 57.365 56.400 -0.069 0.000 0.845 139 E CB -0.519 29.160 29.700 -0.035 0.000 0.766 139 E HN 0.383 nan 8.360 nan 0.000 0.507 140 D N -0.475 119.854 120.400 -0.119 0.000 2.433 140 D HA 0.025 4.668 4.640 0.004 0.000 0.211 140 D C -0.255 175.927 176.300 -0.197 0.000 1.114 140 D CA 0.025 53.957 54.000 -0.112 0.000 0.837 140 D CB 0.390 41.155 40.800 -0.060 0.000 0.984 140 D HN 0.053 nan 8.370 nan 0.000 0.505 141 Q N 0.022 119.568 119.800 -0.423 0.000 2.435 141 Q HA -0.181 4.162 4.340 0.004 0.000 0.312 141 Q C -0.406 175.377 176.000 -0.361 0.000 1.333 141 Q CA 0.551 55.842 55.803 -0.854 0.000 0.883 141 Q CB -1.302 27.122 28.738 -0.522 0.000 1.170 141 Q HN 0.355 nan 8.270 nan 0.000 0.443 142 A N -0.602 122.179 122.820 -0.065 0.000 2.527 142 A HA 0.901 5.224 4.320 0.004 0.000 0.293 142 A C -0.745 176.971 177.584 0.219 0.000 1.117 142 A CA -0.518 51.586 52.037 0.113 0.000 0.723 142 A CB 2.089 21.105 19.000 0.027 0.000 1.313 142 A HN 0.107 nan 8.150 nan 0.000 0.411 143 V N 0.888 120.861 119.914 0.098 0.000 2.876 143 V HA 0.526 4.649 4.120 0.004 0.000 0.312 143 V C -0.809 175.300 176.094 0.025 0.000 1.085 143 V CA -0.311 62.007 62.300 0.029 0.000 0.945 143 V CB 1.908 33.667 31.823 -0.106 0.000 1.017 143 V HN 0.736 nan 8.190 nan 0.000 0.428 144 I N 3.786 124.398 120.570 0.070 0.000 2.433 144 I HA 0.492 4.665 4.170 0.004 0.000 0.292 144 I C -0.577 175.611 176.117 0.119 0.000 1.001 144 I CA -0.392 60.963 61.300 0.090 0.000 1.119 144 I CB 1.968 40.029 38.000 0.101 0.000 1.289 144 I HN 0.909 nan 8.210 nan 0.000 0.438 145 N N 4.835 123.565 118.700 0.050 0.000 2.229 145 N HA 0.626 5.369 4.740 0.004 0.000 0.298 145 N C -0.804 174.712 175.510 0.010 0.000 1.114 145 N CA -1.076 51.964 53.050 -0.016 0.000 0.776 145 N CB 1.594 40.066 38.487 -0.024 0.000 1.501 145 N HN 0.582 nan 8.380 nan 0.000 0.474 146 R N 1.004 121.478 120.500 -0.044 0.000 2.701 146 R HA 0.249 4.591 4.340 0.004 0.000 0.281 146 R C -0.604 175.681 176.300 -0.025 0.000 1.367 146 R CA -0.675 55.420 56.100 -0.010 0.000 1.510 146 R CB -0.824 29.493 30.300 0.027 0.000 1.306 146 R HN 0.555 nan 8.270 nan 0.000 0.682 147 Y N 1.546 121.850 120.300 0.007 0.000 2.165 147 Y HA -0.122 4.431 4.550 0.004 0.000 0.286 147 Y C 1.935 177.846 175.900 0.019 0.000 1.155 147 Y CA 2.016 60.131 58.100 0.025 0.000 1.164 147 Y CB 0.174 38.670 38.460 0.060 0.000 0.978 147 Y HN 0.737 nan 8.280 nan 0.000 0.513 148 G N -0.747 108.128 108.800 0.125 0.000 2.212 148 G HA2 -0.315 3.648 3.960 0.004 0.000 0.255 148 G HA3 -0.315 3.648 3.960 0.004 0.000 0.255 148 G C 0.166 175.144 174.900 0.130 0.000 1.062 148 G CA -0.082 45.025 45.100 0.012 0.000 0.815 148 G HN 0.527 nan 8.290 nan 0.000 0.497 149 F N -1.113 118.904 119.950 0.112 0.000 2.985 149 F HA -0.246 4.283 4.527 0.004 0.000 0.303 149 F C 1.098 176.937 175.800 0.064 0.000 0.976 149 F CA 0.218 58.255 58.000 0.062 0.000 1.013 149 F CB -1.517 37.509 39.000 0.044 0.000 1.060 149 F HN 0.695 nan 8.300 nan 0.000 0.780 150 N N 1.469 120.320 118.700 0.252 0.000 2.447 150 N HA 0.236 4.979 4.740 0.004 0.000 0.263 150 N C -0.348 175.284 175.510 0.204 0.000 1.226 150 N CA 0.418 53.582 53.050 0.191 0.000 0.906 150 N CB 1.963 40.553 38.487 0.170 0.000 1.060 150 N HN 0.276 nan 8.380 nan 0.000 0.468 151 S N 1.089 116.897 115.700 0.180 0.000 2.543 151 S HA 0.218 4.690 4.470 0.004 0.000 0.271 151 S C 0.171 174.837 174.600 0.110 0.000 1.148 151 S CA -0.745 57.560 58.200 0.174 0.000 0.914 151 S CB 0.684 63.922 63.200 0.063 0.000 1.096 151 S HN 0.640 nan 8.310 nan 0.000 0.471 152 H N 2.582 121.578 119.070 -0.124 0.000 2.521 152 H HA 0.241 4.800 4.556 0.005 0.000 0.286 152 H C 1.342 176.623 175.328 -0.078 0.000 1.034 152 H CA 0.328 56.258 56.048 -0.196 0.000 1.278 152 H CB 0.193 29.793 29.762 -0.271 0.000 1.386 152 H HN 1.013 nan 8.280 nan 0.000 0.567 153 G N -0.208 108.639 108.800 0.078 0.000 2.699 153 G HA2 -0.226 3.737 3.960 0.004 0.000 0.686 153 G HA3 -0.226 3.737 3.960 0.004 0.000 0.686 153 G C 0.381 175.286 174.900 0.007 0.000 1.301 153 G CA -0.324 44.787 45.100 0.019 0.000 0.816 153 G HN 0.172 nan 8.290 nan 0.000 0.595 154 L N 0.497 121.705 121.223 -0.026 0.000 2.046 154 L HA -0.115 4.227 4.340 0.004 0.000 0.208 154 L C 3.166 180.009 176.870 -0.044 0.000 1.077 154 L CA 2.221 57.035 54.840 -0.042 0.000 0.747 154 L CB -0.650 41.375 42.059 -0.057 0.000 0.896 154 L HN 0.657 nan 8.230 nan 0.000 0.432 155 S N -0.572 115.114 115.700 -0.024 0.000 2.356 155 S HA -0.163 4.310 4.470 0.004 0.000 0.223 155 S C 2.020 176.652 174.600 0.054 0.000 1.032 155 S CA 1.324 59.515 58.200 -0.014 0.000 1.005 155 S CB -0.240 62.991 63.200 0.053 0.000 0.867 155 S HN 0.155 nan 8.310 nan 0.000 0.449 156 V N 1.505 121.467 119.914 0.081 0.000 2.295 156 V HA -0.148 3.974 4.120 0.004 0.000 0.246 156 V C 2.306 178.456 176.094 0.093 0.000 1.049 156 V CA 1.558 63.922 62.300 0.107 0.000 1.024 156 V CB -0.716 31.143 31.823 0.060 0.000 0.648 156 V HN 0.340 nan 8.190 nan 0.000 0.447 157 V N -0.056 119.892 119.914 0.056 0.000 2.427 157 V HA -0.262 3.860 4.120 0.004 0.000 0.248 157 V C 2.460 178.545 176.094 -0.015 0.000 1.051 157 V CA 2.156 64.475 62.300 0.031 0.000 1.048 157 V CB -0.625 31.202 31.823 0.007 0.000 0.666 157 V HN 0.695 nan 8.190 nan 0.000 0.456 158 E N 0.182 120.335 120.200 -0.078 0.000 2.038 158 E HA -0.296 4.056 4.350 0.004 0.000 0.195 158 E C 2.113 178.612 176.600 -0.167 0.000 1.000 158 E CA 2.200 58.501 56.400 -0.165 0.000 0.803 158 E CB -0.204 29.320 29.700 -0.292 0.000 0.750 158 E HN 0.800 nan 8.360 nan 0.000 0.448 159 H N -0.574 118.494 119.070 -0.003 0.000 2.423 159 H HA 0.002 4.561 4.556 0.004 0.000 0.297 159 H C 2.316 177.645 175.328 0.002 0.000 1.075 159 H CA 1.437 57.483 56.048 -0.003 0.000 1.342 159 H CB 0.021 29.778 29.762 -0.009 0.000 1.395 159 H HN 0.063 nan 8.280 nan 0.000 0.530 160 R N 0.662 121.228 120.500 0.110 0.000 2.081 160 R HA -0.098 4.245 4.340 0.004 0.000 0.235 160 R C 1.837 178.163 176.300 0.044 0.000 1.131 160 R CA 1.160 57.302 56.100 0.070 0.000 0.960 160 R CB -0.133 30.205 30.300 0.064 0.000 0.856 160 R HN 0.300 nan 8.270 nan 0.000 0.436 161 L N -0.242 120.995 121.223 0.023 0.000 2.156 161 L HA -0.072 4.270 4.340 0.004 0.000 0.208 161 L C 2.557 179.440 176.870 0.022 0.000 1.095 161 L CA 1.047 55.895 54.840 0.014 0.000 0.770 161 L CB -0.343 41.712 42.059 -0.006 0.000 0.914 161 L HN 0.201 nan 8.230 nan 0.000 0.439 162 R N 0.162 120.675 120.500 0.022 0.000 2.120 162 R HA -0.113 4.229 4.340 0.004 0.000 0.234 162 R C 2.329 178.656 176.300 0.044 0.000 1.123 162 R CA 1.210 57.329 56.100 0.032 0.000 0.975 162 R CB -0.343 29.978 30.300 0.035 0.000 0.866 162 R HN 0.319 nan 8.270 nan 0.000 0.446 163 A N 1.623 124.474 122.820 0.051 0.000 2.121 163 A HA -0.150 4.172 4.320 0.004 0.000 0.218 163 A C 1.597 179.202 177.584 0.036 0.000 1.154 163 A CA 1.123 53.187 52.037 0.044 0.000 0.679 163 A CB -0.206 18.820 19.000 0.044 0.000 0.795 163 A HN 0.404 nan 8.150 nan 0.000 0.458 164 R N -1.078 119.444 120.500 0.037 0.000 2.629 164 R HA 0.303 4.645 4.340 0.004 0.000 0.408 164 R C 1.197 177.519 176.300 0.035 0.000 1.057 164 R CA 0.291 56.413 56.100 0.037 0.000 1.119 164 R CB -0.503 29.823 30.300 0.044 0.000 1.403 164 R HN 0.448 nan 8.270 nan 0.000 0.576 165 Q N 1.024 120.844 119.800 0.034 0.000 2.084 165 Q HA -0.151 4.192 4.340 0.004 0.000 0.202 165 Q C 1.288 177.304 176.000 0.027 0.000 0.978 165 Q CA 1.622 57.446 55.803 0.035 0.000 0.844 165 Q CB 0.232 28.998 28.738 0.046 0.000 0.898 165 Q HN 0.350 nan 8.270 nan 0.000 0.426 166 Q N 0.351 120.166 119.800 0.024 0.000 2.187 166 Q HA -0.109 4.234 4.340 0.004 0.000 0.199 166 Q C 1.745 177.748 176.000 0.006 0.000 0.957 166 Q CA 1.145 56.956 55.803 0.014 0.000 0.857 166 Q CB -0.158 28.589 28.738 0.015 0.000 0.929 166 Q HN 0.367 nan 8.270 nan 0.000 0.453 167 K N 0.729 121.136 120.400 0.012 0.000 2.063 167 K HA -0.242 4.081 4.320 0.004 0.000 0.208 167 K C 2.043 178.640 176.600 -0.004 0.000 1.048 167 K CA 1.528 57.820 56.287 0.008 0.000 0.928 167 K CB 0.152 32.667 32.500 0.024 0.000 0.713 167 K HN -0.043 nan 8.250 nan 0.000 0.442 168 Q N 0.504 120.310 119.800 0.009 0.000 2.119 168 Q HA -0.033 4.310 4.340 0.004 0.000 0.201 168 Q C 1.745 177.724 176.000 -0.035 0.000 0.972 168 Q CA 1.813 57.616 55.803 0.000 0.000 0.847 168 Q CB -0.343 28.412 28.738 0.028 0.000 0.903 168 Q HN 0.404 nan 8.270 nan 0.000 0.433 169 A N 0.624 123.430 122.820 -0.023 0.000 1.940 169 A HA -0.244 4.078 4.320 0.004 0.000 0.219 169 A C 1.963 179.521 177.584 -0.043 0.000 1.176 169 A CA 1.879 53.897 52.037 -0.033 0.000 0.631 169 A CB -0.453 18.534 19.000 -0.022 0.000 0.814 169 A HN 0.416 nan 8.150 nan 0.000 0.446 170 K N -0.603 119.771 120.400 -0.042 0.000 2.062 170 K HA 0.063 4.386 4.320 0.004 0.000 0.205 170 K C 1.880 178.431 176.600 -0.082 0.000 1.051 170 K CA 1.097 57.354 56.287 -0.049 0.000 0.941 170 K CB -0.334 32.143 32.500 -0.037 0.000 0.719 170 K HN 0.442 nan 8.250 nan 0.000 0.440 171 L N 0.781 121.934 121.223 -0.116 0.000 2.017 171 L HA -0.211 4.132 4.340 0.004 0.000 0.208 171 L C 2.456 179.201 176.870 -0.209 0.000 1.073 171 L CA 1.417 56.130 54.840 -0.212 0.000 0.745 171 L CB -0.783 41.075 42.059 -0.335 0.000 0.894 171 L HN 0.216 nan 8.230 nan 0.000 0.432 172 T N -1.039 113.416 114.554 -0.164 0.000 2.652 172 T HA -0.262 4.091 4.350 0.004 0.000 0.267 172 T C 1.772 176.413 174.700 -0.098 0.000 1.039 172 T CA 1.760 63.766 62.100 -0.157 0.000 1.153 172 T CB -0.218 68.570 68.868 -0.133 0.000 0.863 172 T HN 0.256 nan 8.240 nan 0.000 0.428 173 E N 1.392 121.556 120.200 -0.061 0.000 2.209 173 E HA -0.152 4.201 4.350 0.004 0.000 0.196 173 E C 1.701 178.273 176.600 -0.047 0.000 0.993 173 E CA 1.075 57.453 56.400 -0.036 0.000 0.819 173 E CB -0.365 29.317 29.700 -0.031 0.000 0.745 173 E HN 0.346 nan 8.360 nan 0.000 0.477 174 D N -1.213 119.144 120.400 -0.072 0.000 2.349 174 D HA 0.059 4.701 4.640 0.004 0.000 0.224 174 D C 0.492 176.751 176.300 -0.069 0.000 1.029 174 D CA 0.864 54.824 54.000 -0.067 0.000 0.879 174 D CB 0.241 40.992 40.800 -0.082 0.000 0.906 174 D HN 0.374 nan 8.370 nan 0.000 0.528 175 G N 0.938 109.684 108.800 -0.090 0.000 2.130 175 G HA2 -0.228 3.734 3.960 0.004 0.000 0.216 175 G HA3 -0.228 3.734 3.960 0.004 0.000 0.216 175 G C 0.237 175.068 174.900 -0.115 0.000 0.999 175 G CA -0.270 44.777 45.100 -0.088 0.000 0.686 175 G HN 0.324 nan 8.290 nan 0.000 0.515 176 L N 0.786 121.895 121.223 -0.191 0.000 2.495 176 L HA 0.335 4.678 4.340 0.004 0.000 0.248 176 L C -2.360 174.400 176.870 -0.182 0.000 1.229 176 L CA -1.963 52.757 54.840 -0.201 0.000 0.942 176 L CB 1.780 43.525 42.059 -0.523 0.000 1.242 176 L HN -0.090 nan 8.230 nan 0.000 0.484 177 P HA 0.190 nan 4.420 nan 0.000 0.274 177 P C -0.943 176.440 177.300 0.139 0.000 1.246 177 P CA -0.415 62.573 63.100 -0.187 0.000 0.795 177 P CB 1.030 32.390 31.700 -0.568 0.000 1.006 178 L N 1.130 122.360 121.223 0.012 0.000 2.356 178 L HA 0.753 5.096 4.340 0.004 0.000 0.277 178 L C -0.175 176.532 176.870 -0.270 0.000 0.996 178 L CA -0.172 54.669 54.840 0.002 0.000 0.822 178 L CB 1.099 43.163 42.059 0.008 0.000 1.256 178 L HN 0.454 nan 8.230 nan 0.000 0.413 179 G N 3.948 112.468 108.800 -0.468 0.000 2.400 179 G HA2 0.626 4.588 3.960 0.004 0.000 0.333 179 G HA3 0.626 4.588 3.960 0.004 0.000 0.333 179 G C -1.587 173.013 174.900 -0.500 0.000 1.143 179 G CA -0.524 43.878 45.100 -1.164 0.000 0.914 179 G HN 0.501 nan 8.290 nan 0.000 0.480 180 V N 2.483 122.167 119.914 -0.383 0.000 2.487 180 V HA 0.355 4.478 4.120 0.004 0.000 0.298 180 V C -0.516 175.532 176.094 -0.077 0.000 1.028 180 V CA -1.231 60.967 62.300 -0.170 0.000 0.860 180 V CB 1.661 33.415 31.823 -0.116 0.000 0.991 180 V HN 0.748 nan 8.190 nan 0.000 0.427 181 N N 5.157 123.829 118.700 -0.047 0.000 2.419 181 N HA 0.498 5.241 4.740 0.004 0.000 0.277 181 N C -1.166 174.330 175.510 -0.023 0.000 1.006 181 N CA -0.336 52.722 53.050 0.012 0.000 0.923 181 N CB 1.438 39.941 38.487 0.027 0.000 1.140 181 N HN 0.613 nan 8.380 nan 0.000 0.488 182 L N 2.226 123.468 121.223 0.032 0.000 2.295 182 L HA 0.620 4.963 4.340 0.004 0.000 0.285 182 L C 1.138 177.989 176.870 -0.031 0.000 1.035 182 L CA -0.786 54.053 54.840 -0.002 0.000 0.806 182 L CB 1.765 43.897 42.059 0.121 0.000 1.214 182 L HN 0.516 nan 8.230 nan 0.000 0.426 183 G N 1.896 110.481 108.800 -0.359 0.000 3.175 183 G HA2 0.540 4.502 3.960 0.004 0.000 0.255 183 G HA3 0.540 4.502 3.960 0.004 0.000 0.255 183 G C -1.628 172.882 174.900 -0.649 0.000 1.352 183 G CA -0.463 44.260 45.100 -0.628 0.000 1.037 183 G HN 0.467 nan 8.290 nan 0.000 0.556 184 K N -0.191 119.953 120.400 -0.426 0.000 2.371 184 K HA 0.303 4.626 4.320 0.004 0.000 0.251 184 K C -0.637 175.945 176.600 -0.030 0.000 0.934 184 K CA -0.589 55.535 56.287 -0.273 0.000 0.798 184 K CB 1.582 34.001 32.500 -0.135 0.000 1.204 184 K HN 0.521 nan 8.250 nan 0.000 0.427 185 N N 2.318 120.988 118.700 -0.050 0.000 2.479 185 N HA -0.038 4.705 4.740 0.004 0.000 0.257 185 N C 0.797 176.351 175.510 0.072 0.000 1.232 185 N CA 0.054 53.120 53.050 0.025 0.000 0.920 185 N CB 1.003 39.487 38.487 -0.005 0.000 1.105 185 N HN 0.553 nan 8.380 nan 0.000 0.444 186 K N 0.333 120.790 120.400 0.094 0.000 2.063 186 K HA -0.157 4.165 4.320 0.004 0.000 0.208 186 K C 1.042 177.673 176.600 0.053 0.000 1.048 186 K CA 1.587 57.923 56.287 0.082 0.000 0.928 186 K CB -0.047 32.497 32.500 0.074 0.000 0.713 186 K HN 0.763 nan 8.250 nan 0.000 0.442 187 T N -1.051 113.527 114.554 0.040 0.000 3.145 187 T HA 0.107 4.459 4.350 0.004 0.000 0.255 187 T C 0.373 175.087 174.700 0.022 0.000 1.039 187 T CA -0.187 61.930 62.100 0.029 0.000 0.928 187 T CB 0.002 68.883 68.868 0.023 0.000 1.029 187 T HN 0.185 nan 8.240 nan 0.000 0.554 188 S N 1.406 117.118 115.700 0.021 0.000 2.549 188 S HA 0.295 4.767 4.470 0.004 0.000 0.283 188 S C 1.110 175.723 174.600 0.021 0.000 1.320 188 S CA -0.335 57.872 58.200 0.012 0.000 1.058 188 S CB 1.199 64.397 63.200 -0.004 0.000 0.882 188 S HN 0.648 nan 8.310 nan 0.000 0.498 189 V N -1.928 117.997 119.914 0.018 0.000 3.444 189 V HA 0.427 4.549 4.120 0.004 0.000 0.308 189 V C -0.034 176.077 176.094 0.027 0.000 1.371 189 V CA 0.110 62.424 62.300 0.023 0.000 1.141 189 V CB -0.776 31.058 31.823 0.018 0.000 1.037 189 V HN 0.867 nan 8.190 nan 0.000 0.433 190 D N 0.179 120.596 120.400 0.029 0.000 2.351 190 D HA 0.558 5.201 4.640 0.004 0.000 0.235 190 D C 0.841 177.172 176.300 0.051 0.000 1.331 190 D CA 0.409 54.432 54.000 0.039 0.000 0.959 190 D CB 1.631 42.449 40.800 0.030 0.000 1.432 190 D HN 0.117 nan 8.370 nan 0.000 0.544 191 A N 2.789 125.660 122.820 0.084 0.000 1.902 191 A HA 0.030 4.353 4.320 0.004 0.000 0.217 191 A C 2.140 179.857 177.584 0.223 0.000 1.181 191 A CA 1.959 54.079 52.037 0.138 0.000 0.623 191 A CB -0.426 18.701 19.000 0.212 0.000 0.818 191 A HN 0.595 nan 8.150 nan 0.000 0.443 192 A N -0.499 122.439 122.820 0.196 0.000 1.972 192 A HA -0.151 4.172 4.320 0.004 0.000 0.219 192 A C 1.960 179.638 177.584 0.156 0.000 1.169 192 A CA 2.167 54.327 52.037 0.205 0.000 0.635 192 A CB -0.417 18.650 19.000 0.111 0.000 0.810 192 A HN 0.525 nan 8.150 nan 0.000 0.446 193 E N 0.537 120.789 120.200 0.087 0.000 2.106 193 E HA -0.141 4.212 4.350 0.004 0.000 0.192 193 E C 1.308 177.916 176.600 0.013 0.000 0.984 193 E CA 1.459 57.887 56.400 0.046 0.000 0.806 193 E CB -0.313 29.402 29.700 0.025 0.000 0.750 193 E HN 0.528 nan 8.360 nan 0.000 0.458 194 D N -0.803 119.576 120.400 -0.035 0.000 2.104 194 D HA -0.172 4.471 4.640 0.004 0.000 0.194 194 D C 1.652 177.840 176.300 -0.186 0.000 0.994 194 D CA 1.258 55.165 54.000 -0.156 0.000 0.830 194 D CB -0.390 40.238 40.800 -0.286 0.000 0.959 194 D HN 0.344 nan 8.370 nan 0.000 0.452 195 Y N 0.851 121.150 120.300 -0.002 0.000 2.242 195 Y HA -0.077 4.475 4.550 0.004 0.000 0.291 195 Y C 2.445 178.344 175.900 -0.003 0.000 1.137 195 Y CA 0.941 59.038 58.100 -0.004 0.000 1.181 195 Y CB -0.393 38.073 38.460 0.009 0.000 0.989 195 Y HN -0.074 nan 8.280 nan 0.000 0.527 196 A N 0.451 123.356 122.820 0.143 0.000 1.908 196 A HA -0.247 4.075 4.320 0.004 0.000 0.218 196 A C 2.032 179.639 177.584 0.038 0.000 1.181 196 A CA 1.985 54.070 52.037 0.080 0.000 0.627 196 A CB -0.649 18.388 19.000 0.061 0.000 0.818 196 A HN 0.528 nan 8.150 nan 0.000 0.445 197 E N -0.805 119.402 120.200 0.011 0.000 2.085 197 E HA -0.152 4.201 4.350 0.004 0.000 0.194 197 E C 2.146 178.734 176.600 -0.019 0.000 0.994 197 E CA 0.877 57.269 56.400 -0.014 0.000 0.801 197 E CB -0.409 29.270 29.700 -0.035 0.000 0.743 197 E HN 0.626 nan 8.360 nan 0.000 0.453 198 G N 0.940 109.728 108.800 -0.021 0.000 2.422 198 G HA2 -0.225 3.738 3.960 0.004 0.000 0.218 198 G HA3 -0.225 3.738 3.960 0.004 0.000 0.218 198 G C 1.752 176.656 174.900 0.007 0.000 1.146 198 G CA 0.695 45.783 45.100 -0.020 0.000 0.769 198 G HN 0.117 nan 8.290 nan 0.000 0.547 199 V N 0.635 120.570 119.914 0.036 0.000 2.343 199 V HA -0.171 3.952 4.120 0.004 0.000 0.247 199 V C 2.919 179.024 176.094 0.017 0.000 1.051 199 V CA 1.960 64.283 62.300 0.038 0.000 1.036 199 V CB -0.456 31.399 31.823 0.053 0.000 0.654 199 V HN 0.315 nan 8.190 nan 0.000 0.451 200 R N -0.567 119.937 120.500 0.007 0.000 2.092 200 R HA -0.083 4.260 4.340 0.004 0.000 0.231 200 R C 2.169 178.454 176.300 -0.026 0.000 1.119 200 R CA 1.366 57.462 56.100 -0.007 0.000 0.970 200 R CB -0.342 29.953 30.300 -0.009 0.000 0.864 200 R HN 0.428 nan 8.270 nan 0.000 0.440 201 V N 0.610 120.504 119.914 -0.033 0.000 2.426 201 V HA -0.075 4.048 4.120 0.004 0.000 0.242 201 V C 1.968 178.028 176.094 -0.057 0.000 1.036 201 V CA 1.305 63.571 62.300 -0.055 0.000 1.044 201 V CB -0.083 31.701 31.823 -0.064 0.000 0.688 201 V HN 0.242 nan 8.190 nan 0.000 0.462 202 L N -0.147 121.052 121.223 -0.040 0.000 2.638 202 L HA 0.284 4.627 4.340 0.004 0.000 0.232 202 L C 2.451 179.314 176.870 -0.011 0.000 1.099 202 L CA 0.781 55.599 54.840 -0.036 0.000 0.883 202 L CB -0.593 41.440 42.059 -0.043 0.000 1.136 202 L HN 0.421 nan 8.230 nan 0.000 0.492 203 G N 2.006 110.809 108.800 0.005 0.000 2.469 203 G HA2 -0.210 3.752 3.960 0.004 0.000 0.219 203 G HA3 -0.210 3.752 3.960 0.004 0.000 0.219 203 G C -0.818 174.115 174.900 0.055 0.000 1.150 203 G CA 0.782 45.901 45.100 0.031 0.000 0.763 203 G HN 0.293 nan 8.290 nan 0.000 0.561 204 P HA 0.044 nan 4.420 nan 0.000 0.225 204 P C 1.334 178.750 177.300 0.193 0.000 1.148 204 P CA 0.733 63.908 63.100 0.125 0.000 0.779 204 P CB -0.005 31.662 31.700 -0.055 0.000 0.780 205 L N -2.809 118.460 121.223 0.077 0.000 2.693 205 L HA 0.339 4.681 4.340 0.004 0.000 0.235 205 L C 0.839 177.717 176.870 0.013 0.000 1.127 205 L CA -0.372 54.499 54.840 0.053 0.000 0.914 205 L CB 0.118 42.184 42.059 0.010 0.000 1.193 205 L HN -0.170 nan 8.230 nan 0.000 0.502 206 A N -0.891 121.934 122.820 0.007 0.000 2.350 206 A HA 0.412 4.735 4.320 0.004 0.000 0.324 206 A C 0.037 177.605 177.584 -0.027 0.000 1.118 206 A CA -0.545 51.465 52.037 -0.047 0.000 0.783 206 A CB 0.947 19.906 19.000 -0.069 0.000 1.236 206 A HN 0.016 nan 8.150 nan 0.000 0.457 207 D N -0.217 120.126 120.400 -0.094 0.000 2.162 207 D HA 0.061 4.703 4.640 0.004 0.000 0.203 207 D C -0.009 176.377 176.300 0.144 0.000 0.967 207 D CA 2.114 56.068 54.000 -0.078 0.000 0.840 207 D CB 0.022 40.578 40.800 -0.406 0.000 0.972 207 D HN 0.671 nan 8.370 nan 0.000 0.482 208 Y N -1.347 118.980 120.300 0.045 0.000 2.562 208 Y HA 0.607 5.159 4.550 0.004 0.000 0.345 208 Y C -1.278 174.665 175.900 0.071 0.000 1.045 208 Y CA -1.318 56.832 58.100 0.083 0.000 1.028 208 Y CB 1.002 39.527 38.460 0.109 0.000 1.297 208 Y HN -0.342 nan 8.280 nan 0.000 0.463 209 L N 3.134 124.505 121.223 0.247 0.000 2.334 209 L HA 0.770 5.113 4.340 0.004 0.000 0.273 209 L C -0.989 176.035 176.870 0.255 0.000 1.013 209 L CA -1.495 53.438 54.840 0.155 0.000 0.816 209 L CB 2.107 44.230 42.059 0.107 0.000 1.278 209 L HN 0.603 nan 8.230 nan 0.000 0.431 210 V N 2.763 122.795 119.914 0.196 0.000 2.409 210 V HA 0.268 4.390 4.120 0.004 0.000 0.291 210 V C -0.069 176.103 176.094 0.130 0.000 1.020 210 V CA -0.716 61.697 62.300 0.188 0.000 0.848 210 V CB 1.900 33.854 31.823 0.218 0.000 0.990 210 V HN 0.389 nan 8.190 nan 0.000 0.430 211 V N 4.430 124.387 119.914 0.072 0.000 2.356 211 V HA 0.200 4.323 4.120 0.004 0.000 0.258 211 V C 0.525 176.625 176.094 0.012 0.000 1.065 211 V CA -0.318 61.971 62.300 -0.018 0.000 0.935 211 V CB 0.654 32.365 31.823 -0.187 0.000 1.061 211 V HN 0.866 nan 8.190 nan 0.000 0.484 212 N N 4.927 123.719 118.700 0.153 0.000 2.439 212 N HA 0.136 4.879 4.740 0.004 0.000 0.243 212 N C 0.291 175.941 175.510 0.234 0.000 1.088 212 N CA -0.303 52.869 53.050 0.203 0.000 0.940 212 N CB 1.374 40.027 38.487 0.277 0.000 1.180 212 N HN 0.499 nan 8.380 nan 0.000 0.505 213 V N 1.137 121.119 119.914 0.113 0.000 3.043 213 V HA 0.314 4.437 4.120 0.004 0.000 0.357 213 V C 0.684 176.843 176.094 0.108 0.000 1.372 213 V CA 0.261 62.626 62.300 0.108 0.000 1.214 213 V CB -0.572 31.251 31.823 0.000 0.000 1.224 213 V HN 0.564 nan 8.190 nan 0.000 0.507 214 S N -1.873 113.904 115.700 0.128 0.000 2.819 214 S HA 0.269 4.742 4.470 0.004 0.000 0.249 214 S C 0.654 175.300 174.600 0.075 0.000 1.030 214 S CA 0.338 58.591 58.200 0.087 0.000 1.052 214 S CB 0.206 63.450 63.200 0.074 0.000 1.017 214 S HN 0.534 nan 8.310 nan 0.000 0.576 215 S N 4.006 119.757 115.700 0.086 0.000 2.525 215 S HA 0.251 4.724 4.470 0.004 0.000 0.285 215 S C -1.396 173.168 174.600 -0.059 0.000 1.283 215 S CA -0.942 57.242 58.200 -0.027 0.000 1.072 215 S CB 0.736 63.778 63.200 -0.265 0.000 0.867 215 S HN 0.289 nan 8.310 nan 0.000 0.492 216 P HA 0.113 nan 4.420 nan 0.000 0.245 216 P C -0.078 177.181 177.300 -0.067 0.000 1.212 216 P CA 0.349 63.425 63.100 -0.040 0.000 0.774 216 P CB 0.052 31.741 31.700 -0.018 0.000 0.999 217 N N -0.764 117.856 118.700 -0.134 0.000 2.200 217 N HA 0.082 4.825 4.740 0.004 0.000 0.224 217 N C -0.263 175.140 175.510 -0.178 0.000 1.179 217 N CA 0.296 53.264 53.050 -0.138 0.000 0.877 217 N CB 0.778 39.185 38.487 -0.133 0.000 1.072 217 N HN -0.007 nan 8.380 nan 0.000 0.519 218 T N 0.578 115.019 114.554 -0.187 0.000 2.840 218 T HA 0.492 4.844 4.350 0.004 0.000 0.287 218 T C -0.086 174.597 174.700 -0.029 0.000 0.991 218 T CA -0.629 61.404 62.100 -0.112 0.000 0.964 218 T CB 2.071 70.862 68.868 -0.129 0.000 0.954 218 T HN 0.136 nan 8.240 nan 0.000 0.438 219 A N 2.048 124.866 122.820 -0.004 0.000 2.548 219 A HA 0.512 4.835 4.320 0.004 0.000 0.247 219 A C 1.609 179.210 177.584 0.029 0.000 1.067 219 A CA 0.668 52.711 52.037 0.010 0.000 0.757 219 A CB -0.830 18.178 19.000 0.013 0.000 0.996 219 A HN 1.681 nan 8.150 nan 0.000 0.504 220 G N 1.253 110.070 108.800 0.029 0.000 2.225 220 G HA2 -0.259 3.703 3.960 0.004 0.000 0.254 220 G HA3 -0.259 3.703 3.960 0.004 0.000 0.254 220 G C 0.867 175.803 174.900 0.060 0.000 0.988 220 G CA 0.727 45.851 45.100 0.041 0.000 0.625 220 G HN 1.392 nan 8.290 nan 0.000 0.527 221 L N 0.779 122.044 121.223 0.070 0.000 2.046 221 L HA 0.215 4.557 4.340 0.004 0.000 0.208 221 L C 2.711 179.636 176.870 0.091 0.000 1.077 221 L CA 2.768 57.675 54.840 0.112 0.000 0.747 221 L CB -0.425 41.713 42.059 0.132 0.000 0.896 221 L HN 0.385 nan 8.230 nan 0.000 0.432 222 R N -0.884 119.651 120.500 0.058 0.000 2.235 222 R HA -0.058 4.285 4.340 0.004 0.000 0.213 222 R C 2.285 178.608 176.300 0.038 0.000 1.059 222 R CA 1.021 57.148 56.100 0.046 0.000 0.997 222 R CB -0.374 29.944 30.300 0.031 0.000 0.884 222 R HN 0.621 nan 8.270 nan 0.000 0.462 223 S N 0.598 116.322 115.700 0.039 0.000 2.474 223 S HA -0.032 4.440 4.470 0.004 0.000 0.235 223 S C 1.802 176.421 174.600 0.032 0.000 0.997 223 S CA 0.612 58.831 58.200 0.032 0.000 0.949 223 S CB -0.214 63.005 63.200 0.032 0.000 0.766 223 S HN 0.264 nan 8.310 nan 0.000 0.517 224 L N 0.565 121.814 121.223 0.042 0.000 2.549 224 L HA 0.011 4.354 4.340 0.004 0.000 0.229 224 L C 2.564 179.438 176.870 0.007 0.000 1.158 224 L CA 0.741 55.599 54.840 0.030 0.000 0.842 224 L CB -0.542 41.543 42.059 0.044 0.000 0.952 224 L HN 0.428 nan 8.230 nan 0.000 0.452 225 Q N 0.039 119.847 119.800 0.013 0.000 2.435 225 Q HA 0.055 4.397 4.340 0.004 0.000 0.207 225 Q C 1.270 177.273 176.000 0.005 0.000 0.956 225 Q CA 0.171 55.977 55.803 0.006 0.000 0.917 225 Q CB 0.048 28.794 28.738 0.014 0.000 0.997 225 Q HN 0.492 nan 8.270 nan 0.000 0.497 226 G N 0.936 109.742 108.800 0.009 0.000 2.491 226 G HA2 -0.093 3.870 3.960 0.004 0.000 0.238 226 G HA3 -0.093 3.870 3.960 0.004 0.000 0.238 226 G C 0.349 175.251 174.900 0.004 0.000 1.277 226 G CA -0.300 44.804 45.100 0.008 0.000 0.851 226 G HN 0.133 nan 8.290 nan 0.000 0.573 227 K N 1.425 121.826 120.400 0.003 0.000 2.020 227 K HA -0.163 4.159 4.320 0.004 0.000 0.212 227 K C 2.717 179.317 176.600 0.000 0.000 1.050 227 K CA 1.911 58.198 56.287 0.000 0.000 0.929 227 K CB -0.263 32.238 32.500 0.001 0.000 0.714 227 K HN 0.503 nan 8.250 nan 0.000 0.443 228 A N 0.671 123.493 122.820 0.003 0.000 1.898 228 A HA -0.185 4.138 4.320 0.004 0.000 0.216 228 A C 2.000 179.587 177.584 0.005 0.000 1.181 228 A CA 1.803 53.843 52.037 0.004 0.000 0.620 228 A CB -0.530 18.474 19.000 0.007 0.000 0.819 228 A HN 0.539 nan 8.150 nan 0.000 0.442 229 E N -0.888 119.317 120.200 0.007 0.000 2.106 229 E HA -0.137 4.215 4.350 0.004 0.000 0.192 229 E C 1.862 178.462 176.600 -0.000 0.000 0.984 229 E CA 0.994 57.400 56.400 0.010 0.000 0.806 229 E CB -0.134 29.576 29.700 0.017 0.000 0.750 229 E HN 0.464 nan 8.360 nan 0.000 0.458 230 L N 0.989 122.208 121.223 -0.008 0.000 2.056 230 L HA -0.109 4.234 4.340 0.004 0.000 0.207 230 L C 2.329 179.186 176.870 -0.022 0.000 1.078 230 L CA 1.655 56.481 54.840 -0.023 0.000 0.749 230 L CB -0.304 41.743 42.059 -0.021 0.000 0.901 230 L HN -0.023 nan 8.230 nan 0.000 0.433 231 R N -0.527 119.966 120.500 -0.012 0.000 2.081 231 R HA -0.208 4.134 4.340 0.004 0.000 0.235 231 R C 2.546 178.842 176.300 -0.006 0.000 1.131 231 R CA 1.693 57.788 56.100 -0.009 0.000 0.960 231 R CB -0.264 30.034 30.300 -0.005 0.000 0.856 231 R HN 0.378 nan 8.270 nan 0.000 0.436 232 R N 0.423 120.923 120.500 -0.001 0.000 2.073 232 R HA -0.159 4.184 4.340 0.004 0.000 0.234 232 R C 2.358 178.662 176.300 0.005 0.000 1.134 232 R CA 1.637 57.740 56.100 0.006 0.000 0.952 232 R CB -0.472 29.836 30.300 0.012 0.000 0.850 232 R HN 0.280 nan 8.270 nan 0.000 0.433 233 L N 0.990 122.211 121.223 -0.003 0.000 2.017 233 L HA -0.114 4.229 4.340 0.004 0.000 0.208 233 L C 2.006 178.859 176.870 -0.029 0.000 1.073 233 L CA 1.746 56.577 54.840 -0.014 0.000 0.745 233 L CB -0.373 41.653 42.059 -0.056 0.000 0.894 233 L HN 0.279 nan 8.230 nan 0.000 0.432 234 L N -1.342 119.857 121.223 -0.039 0.000 2.217 234 L HA -0.127 4.216 4.340 0.004 0.000 0.211 234 L C 2.304 179.167 176.870 -0.011 0.000 1.107 234 L CA 1.230 56.049 54.840 -0.035 0.000 0.783 234 L CB -0.974 41.063 42.059 -0.037 0.000 0.919 234 L HN 0.281 nan 8.230 nan 0.000 0.442 235 T N -0.292 114.259 114.554 -0.005 0.000 2.746 235 T HA -0.240 4.113 4.350 0.004 0.000 0.267 235 T C 1.941 176.647 174.700 0.010 0.000 1.039 235 T CA 1.546 63.648 62.100 0.003 0.000 1.142 235 T CB -0.052 68.819 68.868 0.004 0.000 0.866 235 T HN 0.256 nan 8.240 nan 0.000 0.444 236 K N 0.687 121.096 120.400 0.015 0.000 2.057 236 K HA -0.055 4.267 4.320 0.004 0.000 0.206 236 K C 2.222 178.841 176.600 0.031 0.000 1.050 236 K CA 0.935 57.237 56.287 0.025 0.000 0.935 236 K CB -0.293 32.228 32.500 0.035 0.000 0.715 236 K HN 0.108 nan 8.250 nan 0.000 0.439 237 V N 1.847 121.779 119.914 0.029 0.000 2.287 237 V HA -0.270 3.853 4.120 0.004 0.000 0.248 237 V C 2.314 178.426 176.094 0.031 0.000 1.053 237 V CA 1.728 64.049 62.300 0.036 0.000 1.027 237 V CB -0.365 31.468 31.823 0.017 0.000 0.646 237 V HN 0.341 nan 8.190 nan 0.000 0.447 238 L N -0.550 120.685 121.223 0.020 0.000 2.141 238 L HA -0.207 4.135 4.340 0.004 0.000 0.209 238 L C 2.616 179.499 176.870 0.022 0.000 1.094 238 L CA 1.643 56.496 54.840 0.021 0.000 0.763 238 L CB -0.550 41.517 42.059 0.013 0.000 0.908 238 L HN 0.415 nan 8.230 nan 0.000 0.437 239 Q N 0.026 119.838 119.800 0.020 0.000 2.079 239 Q HA -0.206 4.137 4.340 0.004 0.000 0.200 239 Q C 2.050 178.064 176.000 0.023 0.000 0.974 239 Q CA 1.277 57.092 55.803 0.019 0.000 0.840 239 Q CB 0.182 28.930 28.738 0.017 0.000 0.898 239 Q HN 0.433 nan 8.270 nan 0.000 0.430 240 E N 0.409 120.626 120.200 0.027 0.000 2.077 240 E HA -0.198 4.155 4.350 0.004 0.000 0.193 240 E C 2.013 178.632 176.600 0.031 0.000 0.989 240 E CA 0.664 57.081 56.400 0.028 0.000 0.800 240 E CB -0.270 29.450 29.700 0.033 0.000 0.746 240 E HN 0.252 nan 8.360 nan 0.000 0.452 241 R N 1.408 121.929 120.500 0.036 0.000 2.081 241 R HA -0.137 4.206 4.340 0.004 0.000 0.235 241 R C 1.275 177.599 176.300 0.039 0.000 1.131 241 R CA 1.381 57.506 56.100 0.042 0.000 0.960 241 R CB -0.313 30.015 30.300 0.047 0.000 0.856 241 R HN 0.057 nan 8.270 nan 0.000 0.436 242 D N -0.667 119.752 120.400 0.032 0.000 2.264 242 D HA -0.065 4.578 4.640 0.004 0.000 0.208 242 D C 1.469 177.785 176.300 0.026 0.000 0.966 242 D CA 1.288 55.304 54.000 0.028 0.000 0.864 242 D CB -0.331 40.481 40.800 0.021 0.000 0.933 242 D HN 0.488 nan 8.370 nan 0.000 0.499 243 G N -0.160 108.655 108.800 0.025 0.000 2.920 243 G HA2 0.072 4.035 3.960 0.004 0.000 0.208 243 G HA3 0.072 4.035 3.960 0.004 0.000 0.208 243 G C 0.694 175.608 174.900 0.024 0.000 1.159 243 G CA -0.159 44.954 45.100 0.021 0.000 0.784 243 G HN 0.179 nan 8.290 nan 0.000 0.535 244 L N 0.605 121.848 121.223 0.033 0.000 2.395 244 L HA 0.366 4.709 4.340 0.004 0.000 0.269 244 L C 0.707 177.612 176.870 0.059 0.000 1.133 244 L CA -0.947 53.919 54.840 0.044 0.000 0.812 244 L CB 0.952 43.047 42.059 0.060 0.000 1.125 244 L HN 0.046 nan 8.230 nan 0.000 0.452 245 R N 1.820 122.364 120.500 0.073 0.000 2.698 245 R HA -0.024 4.319 4.340 0.004 0.000 0.266 245 R C 1.311 177.674 176.300 0.105 0.000 1.026 245 R CA -0.374 55.782 56.100 0.092 0.000 1.102 245 R CB 0.462 30.836 30.300 0.123 0.000 0.978 245 R HN 0.571 nan 8.270 nan 0.000 0.436 246 R N 2.040 122.579 120.500 0.065 0.000 2.096 246 R HA -0.147 4.196 4.340 0.004 0.000 0.240 246 R C 1.666 177.978 176.300 0.020 0.000 1.139 246 R CA 2.118 58.241 56.100 0.038 0.000 0.952 246 R CB -1.386 28.925 30.300 0.019 0.000 0.854 246 R HN 0.601 nan 8.270 nan 0.000 0.436 247 V N -1.286 118.624 119.914 -0.007 0.000 3.141 247 V HA -0.028 4.094 4.120 0.004 0.000 0.265 247 V C 1.165 177.117 176.094 -0.237 0.000 1.126 247 V CA 1.251 63.480 62.300 -0.119 0.000 1.141 247 V CB -0.853 30.864 31.823 -0.177 0.000 0.743 247 V HN 0.282 nan 8.190 nan 0.000 0.492 248 H N 0.690 119.775 119.070 0.025 0.000 2.486 248 H HA 0.430 4.989 4.556 0.005 0.000 0.284 248 H C 0.323 175.670 175.328 0.032 0.000 1.103 248 H CA -0.243 55.821 56.048 0.025 0.000 1.089 248 H CB 0.477 30.248 29.762 0.014 0.000 1.603 248 H HN 0.423 nan 8.280 nan 0.000 0.557 249 R N 3.020 123.584 120.500 0.107 0.000 2.215 249 R HA 0.220 4.562 4.340 0.004 0.000 0.337 249 R C -2.600 173.758 176.300 0.096 0.000 1.010 249 R CA -1.510 54.644 56.100 0.091 0.000 0.871 249 R CB 0.963 31.302 30.300 0.066 0.000 1.134 249 R HN 0.072 nan 8.270 nan 0.000 0.477 250 P HA 0.179 nan 4.420 nan 0.000 0.281 250 P C -0.846 176.539 177.300 0.140 0.000 1.249 250 P CA -0.465 62.717 63.100 0.136 0.000 0.810 250 P CB 1.325 33.094 31.700 0.115 0.000 1.008 251 A N 1.969 124.902 122.820 0.188 0.000 2.466 251 A HA 0.343 4.666 4.320 0.004 0.000 0.238 251 A C -0.061 177.621 177.584 0.163 0.000 1.074 251 A CA -0.130 52.002 52.037 0.160 0.000 0.774 251 A CB -0.106 19.002 19.000 0.179 0.000 1.015 251 A HN 0.380 nan 8.150 nan 0.000 0.498 252 V N 2.951 122.930 119.914 0.108 0.000 2.409 252 V HA 0.449 4.572 4.120 0.004 0.000 0.291 252 V C -0.567 175.568 176.094 0.068 0.000 1.020 252 V CA -0.238 62.121 62.300 0.099 0.000 0.848 252 V CB 1.046 32.907 31.823 0.063 0.000 0.990 252 V HN 0.727 nan 8.190 nan 0.000 0.430 253 L N 5.029 126.303 121.223 0.085 0.000 2.319 253 L HA 0.724 5.066 4.340 0.004 0.000 0.267 253 L C -0.325 176.569 176.870 0.040 0.000 1.011 253 L CA -0.602 54.262 54.840 0.040 0.000 0.818 253 L CB 2.157 44.222 42.059 0.009 0.000 1.316 253 L HN 0.349 nan 8.230 nan 0.000 0.432 254 V N 1.119 121.042 119.914 0.016 0.000 2.459 254 V HA 0.436 4.559 4.120 0.004 0.000 0.295 254 V C -0.213 175.897 176.094 0.027 0.000 1.029 254 V CA -0.893 61.413 62.300 0.008 0.000 0.874 254 V CB 1.610 33.423 31.823 -0.015 0.000 0.985 254 V HN 0.631 nan 8.190 nan 0.000 0.438 255 K N 5.720 126.148 120.400 0.047 0.000 2.211 255 K HA 0.676 4.999 4.320 0.004 0.000 0.275 255 K C -0.560 176.074 176.600 0.056 0.000 1.024 255 K CA -0.478 55.847 56.287 0.064 0.000 0.887 255 K CB 0.985 33.544 32.500 0.099 0.000 1.084 255 K HN 0.784 nan 8.250 nan 0.000 0.463 256 I N 0.439 121.037 120.570 0.048 0.000 2.910 256 I HA 0.681 4.853 4.170 0.004 0.000 0.310 256 I C -0.303 175.840 176.117 0.045 0.000 1.043 256 I CA -1.230 60.094 61.300 0.040 0.000 1.053 256 I CB 1.976 39.993 38.000 0.028 0.000 1.242 256 I HN 0.589 nan 8.210 nan 0.000 0.452 257 A N 3.536 126.379 122.820 0.039 0.000 2.287 257 A HA 0.588 4.911 4.320 0.004 0.000 0.273 257 A C -1.824 175.779 177.584 0.031 0.000 1.091 257 A CA -1.429 50.630 52.037 0.036 0.000 0.817 257 A CB -0.336 18.682 19.000 0.031 0.000 1.069 257 A HN 0.755 nan 8.150 nan 0.000 0.492 258 P HA 0.052 nan 4.420 nan 0.000 0.249 258 P C -0.288 177.024 177.300 0.020 0.000 1.229 258 P CA 0.699 63.814 63.100 0.025 0.000 0.788 258 P CB 0.299 32.014 31.700 0.024 0.000 1.072 259 D N -0.114 120.297 120.400 0.019 0.000 2.463 259 D HA 0.183 4.825 4.640 0.004 0.000 0.224 259 D C 0.625 176.934 176.300 0.014 0.000 1.174 259 D CA -0.074 53.935 54.000 0.014 0.000 0.829 259 D CB 0.456 41.263 40.800 0.012 0.000 0.993 259 D HN 0.232 nan 8.370 nan 0.000 0.497 260 L N 1.258 122.491 121.223 0.016 0.000 2.417 260 L HA 0.174 4.517 4.340 0.004 0.000 0.268 260 L C 1.439 178.318 176.870 0.014 0.000 1.158 260 L CA -0.355 54.494 54.840 0.015 0.000 0.819 260 L CB 0.703 42.772 42.059 0.017 0.000 1.112 260 L HN -0.030 nan 8.230 nan 0.000 0.458 261 T N -1.393 113.168 114.554 0.012 0.000 2.813 261 T HA 0.075 4.427 4.350 0.004 0.000 0.297 261 T C 1.217 175.924 174.700 0.012 0.000 1.036 261 T CA -0.546 61.561 62.100 0.011 0.000 1.044 261 T CB 1.118 69.991 68.868 0.009 0.000 0.993 261 T HN 0.576 nan 8.240 nan 0.000 0.535 262 S N 0.457 116.164 115.700 0.012 0.000 2.370 262 S HA -0.188 4.285 4.470 0.004 0.000 0.226 262 S C 2.064 176.671 174.600 0.011 0.000 1.033 262 S CA 1.585 59.793 58.200 0.013 0.000 1.011 262 S CB -0.608 62.599 63.200 0.012 0.000 0.852 262 S HN 0.867 nan 8.310 nan 0.000 0.457 263 Q N 1.610 121.416 119.800 0.009 0.000 2.084 263 Q HA -0.147 4.196 4.340 0.004 0.000 0.202 263 Q C 1.370 177.374 176.000 0.007 0.000 0.978 263 Q CA 1.725 57.532 55.803 0.007 0.000 0.844 263 Q CB -0.444 28.298 28.738 0.007 0.000 0.898 263 Q HN 0.356 nan 8.270 nan 0.000 0.426 264 D N 0.018 120.423 120.400 0.009 0.000 2.104 264 D HA -0.156 4.487 4.640 0.004 0.000 0.194 264 D C 1.653 177.958 176.300 0.009 0.000 0.994 264 D CA 1.394 55.400 54.000 0.009 0.000 0.830 264 D CB -0.052 40.754 40.800 0.011 0.000 0.959 264 D HN 0.345 nan 8.370 nan 0.000 0.452 265 K N 0.509 120.915 120.400 0.011 0.000 2.057 265 K HA -0.079 4.243 4.320 0.004 0.000 0.206 265 K C 2.136 178.741 176.600 0.008 0.000 1.050 265 K CA 0.792 57.086 56.287 0.012 0.000 0.935 265 K CB 0.007 32.518 32.500 0.018 0.000 0.715 265 K HN 0.202 nan 8.250 nan 0.000 0.439 266 E N 0.859 121.063 120.200 0.007 0.000 2.077 266 E HA -0.195 4.158 4.350 0.004 0.000 0.193 266 E C 1.534 178.134 176.600 -0.001 0.000 0.989 266 E CA 1.284 57.686 56.400 0.003 0.000 0.800 266 E CB -0.005 29.697 29.700 0.004 0.000 0.746 266 E HN 0.259 nan 8.360 nan 0.000 0.452 267 D N 0.520 120.920 120.400 0.001 0.000 2.117 267 D HA -0.094 4.549 4.640 0.004 0.000 0.198 267 D C 1.973 178.271 176.300 -0.004 0.000 0.982 267 D CA 0.737 54.736 54.000 -0.001 0.000 0.828 267 D CB -0.136 40.664 40.800 0.001 0.000 0.967 267 D HN 0.166 nan 8.370 nan 0.000 0.464 268 I N 1.115 121.684 120.570 -0.003 0.000 2.226 268 I HA -0.259 3.913 4.170 0.004 0.000 0.245 268 I C 2.443 178.554 176.117 -0.010 0.000 1.100 268 I CA 1.039 62.336 61.300 -0.005 0.000 1.374 268 I CB -0.204 37.795 38.000 -0.001 0.000 1.057 268 I HN -0.073 nan 8.210 nan 0.000 0.413 269 A N -0.204 122.610 122.820 -0.010 0.000 1.908 269 A HA -0.265 4.057 4.320 0.004 0.000 0.218 269 A C 2.494 180.066 177.584 -0.021 0.000 1.181 269 A CA 2.308 54.335 52.037 -0.018 0.000 0.627 269 A CB -0.895 18.095 19.000 -0.018 0.000 0.818 269 A HN 0.415 nan 8.150 nan 0.000 0.445 270 S N -0.703 114.988 115.700 -0.015 0.000 2.359 270 S HA -0.137 4.336 4.470 0.004 0.000 0.224 270 S C 1.908 176.499 174.600 -0.015 0.000 1.035 270 S CA 1.776 59.967 58.200 -0.015 0.000 1.018 270 S CB -0.502 62.692 63.200 -0.010 0.000 0.876 270 S HN 0.303 nan 8.310 nan 0.000 0.448 271 V N 1.369 121.275 119.914 -0.013 0.000 2.358 271 V HA -0.087 4.036 4.120 0.004 0.000 0.246 271 V C 2.503 178.587 176.094 -0.016 0.000 1.047 271 V CA 1.605 63.897 62.300 -0.013 0.000 1.035 271 V CB -0.668 31.147 31.823 -0.013 0.000 0.658 271 V HN 0.421 nan 8.190 nan 0.000 0.452 272 V N -0.087 119.816 119.914 -0.019 0.000 2.332 272 V HA -0.306 3.816 4.120 0.004 0.000 0.248 272 V C 2.406 178.486 176.094 -0.024 0.000 1.055 272 V CA 2.204 64.491 62.300 -0.022 0.000 1.038 272 V CB -0.651 31.157 31.823 -0.025 0.000 0.651 272 V HN 0.550 nan 8.190 nan 0.000 0.450 273 K N -0.371 120.013 120.400 -0.027 0.000 2.116 273 K HA -0.134 4.189 4.320 0.004 0.000 0.203 273 K C 2.216 178.803 176.600 -0.022 0.000 1.052 273 K CA 1.162 57.432 56.287 -0.029 0.000 0.952 273 K CB -0.139 32.340 32.500 -0.034 0.000 0.729 273 K HN 0.524 nan 8.250 nan 0.000 0.446 274 E N 1.023 121.212 120.200 -0.018 0.000 2.077 274 E HA -0.171 4.182 4.350 0.004 0.000 0.193 274 E C 1.552 178.145 176.600 -0.012 0.000 0.989 274 E CA 1.026 57.418 56.400 -0.014 0.000 0.800 274 E CB 0.148 29.841 29.700 -0.011 0.000 0.746 274 E HN 0.244 nan 8.360 nan 0.000 0.452 275 L N -1.049 120.167 121.223 -0.012 0.000 2.554 275 L HA 0.250 4.593 4.340 0.004 0.000 0.225 275 L C 1.324 178.189 176.870 -0.008 0.000 1.104 275 L CA 0.370 55.205 54.840 -0.009 0.000 0.866 275 L CB 0.438 42.492 42.059 -0.009 0.000 1.047 275 L HN 0.386 nan 8.230 nan 0.000 0.468 276 G N 1.205 109.997 108.800 -0.013 0.000 2.160 276 G HA2 -0.230 3.733 3.960 0.004 0.000 0.244 276 G HA3 -0.230 3.733 3.960 0.004 0.000 0.244 276 G C 0.283 175.177 174.900 -0.009 0.000 1.022 276 G CA -0.464 44.629 45.100 -0.012 0.000 0.741 276 G HN 0.124 nan 8.290 nan 0.000 0.508 277 I N 0.962 121.526 120.570 -0.011 0.000 2.845 277 I HA -0.001 4.171 4.170 0.004 0.000 0.296 277 I C 1.276 177.387 176.117 -0.011 0.000 1.216 277 I CA 0.452 61.748 61.300 -0.008 0.000 1.438 277 I CB 0.448 38.441 38.000 -0.013 0.000 1.342 277 I HN 0.159 nan 8.210 nan 0.000 0.577 278 D N 4.320 124.719 120.400 -0.002 0.000 2.277 278 D HA 0.097 4.739 4.640 0.004 0.000 0.208 278 D C 0.946 177.229 176.300 -0.027 0.000 0.962 278 D CA 0.713 54.710 54.000 -0.006 0.000 0.865 278 D CB 0.716 41.526 40.800 0.018 0.000 0.939 278 D HN 0.768 nan 8.370 nan 0.000 0.510 279 G N -0.521 108.261 108.800 -0.031 0.000 2.451 279 G HA2 0.499 4.461 3.960 0.004 0.000 0.292 279 G HA3 0.499 4.461 3.960 0.004 0.000 0.292 279 G C -1.937 172.939 174.900 -0.039 0.000 1.427 279 G CA -0.795 44.274 45.100 -0.052 0.000 0.792 279 G HN 0.021 nan 8.290 nan 0.000 0.498 280 L N 0.041 121.240 121.223 -0.040 0.000 2.370 280 L HA 0.651 4.994 4.340 0.004 0.000 0.266 280 L C -0.420 176.439 176.870 -0.017 0.000 1.002 280 L CA -0.929 53.900 54.840 -0.018 0.000 0.818 280 L CB 2.391 44.447 42.059 -0.005 0.000 1.325 280 L HN 0.361 nan 8.230 nan 0.000 0.418 281 I N 2.788 123.364 120.570 0.010 0.000 2.378 281 I HA 0.469 4.641 4.170 0.004 0.000 0.291 281 I C -0.922 175.219 176.117 0.041 0.000 0.992 281 I CA -0.774 60.544 61.300 0.030 0.000 1.154 281 I CB 1.966 40.005 38.000 0.064 0.000 1.315 281 I HN 0.182 nan 8.210 nan 0.000 0.448 282 V N 4.862 124.800 119.914 0.041 0.000 2.509 282 V HA 0.429 4.551 4.120 0.004 0.000 0.289 282 V C -0.087 176.034 176.094 0.044 0.000 1.026 282 V CA -0.415 61.910 62.300 0.041 0.000 0.872 282 V CB 1.633 33.477 31.823 0.036 0.000 1.017 282 V HN 0.925 nan 8.190 nan 0.000 0.436 283 T N 0.320 114.903 114.554 0.049 0.000 2.838 283 T HA 0.539 4.891 4.350 0.004 0.000 0.292 283 T C -0.240 174.497 174.700 0.061 0.000 1.113 283 T CA -0.739 61.392 62.100 0.051 0.000 1.008 283 T CB 2.275 71.168 68.868 0.042 0.000 1.259 283 T HN 0.343 nan 8.240 nan 0.000 0.520 284 N N 0.506 119.244 118.700 0.063 0.000 2.290 284 N HA 0.270 5.013 4.740 0.004 0.000 0.269 284 N C 0.376 175.919 175.510 0.054 0.000 1.295 284 N CA 0.262 53.354 53.050 0.071 0.000 0.932 284 N CB 0.831 39.363 38.487 0.075 0.000 1.128 284 N HN 0.964 nan 8.380 nan 0.000 0.532 285 T N -2.389 112.195 114.554 0.050 0.000 2.813 285 T HA 0.155 4.507 4.350 0.004 0.000 0.297 285 T C 0.481 175.196 174.700 0.025 0.000 1.036 285 T CA -0.459 61.661 62.100 0.034 0.000 1.044 285 T CB 0.700 69.585 68.868 0.028 0.000 0.993 285 T HN 0.378 nan 8.240 nan 0.000 0.535 286 T N 0.133 114.697 114.554 0.017 0.000 2.867 286 T HA 0.389 4.742 4.350 0.004 0.000 0.282 286 T C 1.186 175.889 174.700 0.005 0.000 1.000 286 T CA -0.418 61.690 62.100 0.012 0.000 1.042 286 T CB 0.799 69.673 68.868 0.010 0.000 0.973 286 T HN 0.804 nan 8.240 nan 0.000 0.465 287 V N 2.503 122.419 119.914 0.003 0.000 3.623 287 V HA 0.259 4.382 4.120 0.004 0.000 0.271 287 V C 1.132 177.222 176.094 -0.006 0.000 1.248 287 V CA 0.415 62.713 62.300 -0.004 0.000 1.156 287 V CB -1.202 30.619 31.823 -0.004 0.000 0.870 287 V HN 0.826 nan 8.190 nan 0.000 0.453 288 S N 1.525 117.222 115.700 -0.003 0.000 2.614 288 S HA 0.499 4.971 4.470 0.004 0.000 0.265 288 S C 0.135 174.729 174.600 -0.009 0.000 1.303 288 S CA -0.627 57.569 58.200 -0.006 0.000 1.000 288 S CB 0.961 64.160 63.200 -0.002 0.000 0.935 288 S HN 0.502 nan 8.310 nan 0.000 0.551 289 R N 1.969 122.461 120.500 -0.013 0.000 2.415 289 R HA 0.408 4.751 4.340 0.004 0.000 0.292 289 R C -2.913 173.379 176.300 -0.014 0.000 1.295 289 R CA -1.809 54.282 56.100 -0.016 0.000 1.137 289 R CB 0.396 30.682 30.300 -0.023 0.000 1.135 289 R HN 0.576 nan 8.270 nan 0.000 0.560 290 P HA 0.012 nan 4.420 nan 0.000 0.265 290 P C -0.226 177.067 177.300 -0.012 0.000 1.187 290 P CA -0.026 63.068 63.100 -0.010 0.000 0.766 290 P CB 0.595 32.290 31.700 -0.008 0.000 0.820 291 A N 2.473 125.286 122.820 -0.011 0.000 2.531 291 A HA 0.408 4.730 4.320 0.004 0.000 0.236 291 A C 1.515 179.091 177.584 -0.013 0.000 1.062 291 A CA 0.822 52.851 52.037 -0.012 0.000 0.760 291 A CB -1.028 17.966 19.000 -0.011 0.000 0.995 291 A HN 0.924 nan 8.150 nan 0.000 0.501 292 G N 0.806 109.597 108.800 -0.015 0.000 2.218 292 G HA2 -0.172 3.790 3.960 0.004 0.000 0.216 292 G HA3 -0.172 3.790 3.960 0.004 0.000 0.216 292 G C 0.194 175.082 174.900 -0.019 0.000 0.994 292 G CA -0.030 45.061 45.100 -0.016 0.000 0.637 292 G HN 0.844 nan 8.290 nan 0.000 0.505 293 L N 0.934 122.145 121.223 -0.020 0.000 2.540 293 L HA 0.167 4.510 4.340 0.004 0.000 0.276 293 L C 1.624 178.481 176.870 -0.023 0.000 1.212 293 L CA 0.202 55.029 54.840 -0.022 0.000 0.893 293 L CB 0.691 42.737 42.059 -0.023 0.000 1.138 293 L HN 0.147 nan 8.230 nan 0.000 0.491 294 Q N 2.290 122.076 119.800 -0.024 0.000 2.402 294 Q HA 0.149 4.492 4.340 0.004 0.000 0.231 294 Q C 0.914 176.902 176.000 -0.020 0.000 0.888 294 Q CA 0.242 56.032 55.803 -0.022 0.000 0.938 294 Q CB 0.514 29.238 28.738 -0.022 0.000 1.086 294 Q HN 0.817 nan 8.270 nan 0.000 0.543 295 G N 0.710 109.498 108.800 -0.019 0.000 2.391 295 G HA2 0.174 4.137 3.960 0.004 0.000 0.234 295 G HA3 0.174 4.137 3.960 0.004 0.000 0.234 295 G C 0.984 175.872 174.900 -0.019 0.000 1.284 295 G CA 0.498 45.590 45.100 -0.012 0.000 0.873 295 G HN 0.243 nan 8.290 nan 0.000 0.549 296 A N 2.189 125.000 122.820 -0.014 0.000 2.024 296 A HA -0.014 4.309 4.320 0.004 0.000 0.220 296 A C 2.022 179.578 177.584 -0.047 0.000 1.164 296 A CA 0.899 52.922 52.037 -0.024 0.000 0.643 296 A CB -0.141 18.852 19.000 -0.013 0.000 0.806 296 A HN 0.608 nan 8.150 nan 0.000 0.451 297 L N -0.111 121.082 121.223 -0.050 0.000 2.685 297 L HA 0.081 4.424 4.340 0.004 0.000 0.233 297 L C 2.172 178.962 176.870 -0.133 0.000 1.173 297 L CA 0.141 54.912 54.840 -0.115 0.000 0.961 297 L CB -0.250 41.759 42.059 -0.083 0.000 1.217 297 L HN 0.532 nan 8.230 nan 0.000 0.478 298 R N -1.001 119.449 120.500 -0.083 0.000 2.193 298 R HA -0.061 4.281 4.340 0.004 0.000 0.229 298 R C 1.281 177.526 176.300 -0.091 0.000 1.110 298 R CA 1.287 57.345 56.100 -0.070 0.000 0.988 298 R CB -0.422 29.850 30.300 -0.047 0.000 0.871 298 R HN 0.101 nan 8.270 nan 0.000 0.458 299 S N 0.612 116.244 115.700 -0.114 0.000 2.597 299 S HA 0.104 4.576 4.470 0.004 0.000 0.224 299 S C -0.356 174.147 174.600 -0.161 0.000 0.955 299 S CA -0.337 57.796 58.200 -0.112 0.000 0.933 299 S CB 0.169 63.315 63.200 -0.089 0.000 0.788 299 S HN 0.268 nan 8.310 nan 0.000 0.488 300 E N 2.578 122.626 120.200 -0.253 0.000 2.413 300 E HA 0.059 4.411 4.350 0.004 0.000 0.263 300 E C 0.083 176.563 176.600 -0.200 0.000 1.015 300 E CA 0.365 56.548 56.400 -0.361 0.000 0.916 300 E CB 0.427 29.653 29.700 -0.791 0.000 0.947 300 E HN 0.075 nan 8.360 nan 0.000 0.440 301 T N 1.601 116.069 114.554 -0.145 0.000 2.916 301 T HA 0.465 4.818 4.350 0.004 0.000 0.303 301 T C 0.409 175.095 174.700 -0.024 0.000 1.025 301 T CA 0.562 62.622 62.100 -0.066 0.000 1.142 301 T CB 0.717 69.560 68.868 -0.042 0.000 0.947 301 T HN 0.662 nan 8.240 nan 0.000 0.544 302 G N 1.218 110.010 108.800 -0.013 0.000 2.357 302 G HA2 0.420 4.383 3.960 0.004 0.000 0.289 302 G HA3 0.420 4.383 3.960 0.004 0.000 0.289 302 G C -0.455 174.447 174.900 0.004 0.000 1.302 302 G CA -0.532 44.573 45.100 0.008 0.000 0.936 302 G HN 0.866 nan 8.290 nan 0.000 0.513 303 G N -0.936 107.871 108.800 0.011 0.000 2.356 303 G HA2 0.669 4.632 3.960 0.004 0.000 0.298 303 G HA3 0.669 4.632 3.960 0.004 0.000 0.298 303 G C -0.499 174.408 174.900 0.012 0.000 1.145 303 G CA -0.227 44.879 45.100 0.010 0.000 0.850 303 G HN 1.248 nan 8.290 nan 0.000 0.487 304 L N 2.820 124.047 121.223 0.008 0.000 2.289 304 L HA 0.697 5.039 4.340 0.004 0.000 0.285 304 L C 0.530 177.403 176.870 0.006 0.000 1.049 304 L CA -0.196 54.648 54.840 0.007 0.000 0.804 304 L CB 1.460 43.520 42.059 0.003 0.000 1.195 304 L HN 0.630 nan 8.230 nan 0.000 0.428 305 S N 2.880 118.580 115.700 0.000 0.000 2.709 305 S HA 1.036 5.509 4.470 0.004 0.000 0.302 305 S C 0.046 174.655 174.600 0.015 0.000 1.127 305 S CA -0.185 58.014 58.200 -0.002 0.000 0.905 305 S CB 1.288 64.461 63.200 -0.046 0.000 1.151 305 S HN 1.769 nan 8.310 nan 0.000 0.510 306 G N 1.234 110.050 108.800 0.027 0.000 2.545 306 G HA2 -0.198 3.765 3.960 0.004 0.000 0.216 306 G HA3 -0.198 3.765 3.960 0.004 0.000 0.216 306 G C 0.343 175.262 174.900 0.032 0.000 1.314 306 G CA 0.171 45.300 45.100 0.050 0.000 0.906 306 G HN 0.896 nan 8.290 nan 0.000 0.563 307 K N 0.886 121.296 120.400 0.017 0.000 2.103 307 K HA -0.058 4.265 4.320 0.004 0.000 0.207 307 K C -0.204 176.398 176.600 0.004 0.000 1.048 307 K CA 2.007 58.301 56.287 0.012 0.000 0.930 307 K CB -0.795 31.703 32.500 -0.005 0.000 0.716 307 K HN 0.292 nan 8.250 nan 0.000 0.444 308 P HA -0.127 nan 4.420 nan 0.000 0.225 308 P C 0.960 178.262 177.300 0.004 0.000 1.148 308 P CA 0.741 63.839 63.100 -0.003 0.000 0.779 308 P CB 0.103 31.798 31.700 -0.008 0.000 0.780 309 L N -1.015 120.215 121.223 0.010 0.000 2.477 309 L HA 0.188 4.530 4.340 0.004 0.000 0.220 309 L C 2.331 179.212 176.870 0.018 0.000 1.106 309 L CA 1.019 55.868 54.840 0.015 0.000 0.851 309 L CB -0.681 41.390 42.059 0.020 0.000 0.994 309 L HN -0.272 nan 8.230 nan 0.000 0.462 310 R N -0.151 120.360 120.500 0.019 0.000 2.097 310 R HA -0.208 4.135 4.340 0.004 0.000 0.236 310 R C 1.492 177.802 176.300 0.015 0.000 1.135 310 R CA 2.399 58.511 56.100 0.021 0.000 0.934 310 R CB -0.275 30.038 30.300 0.021 0.000 0.846 310 R HN 0.359 nan 8.270 nan 0.000 0.431 311 D N 0.180 120.586 120.400 0.010 0.000 2.234 311 D HA -0.096 4.547 4.640 0.004 0.000 0.205 311 D C 1.715 178.020 176.300 0.008 0.000 0.962 311 D CA 0.403 54.407 54.000 0.006 0.000 0.855 311 D CB -0.117 40.684 40.800 0.002 0.000 0.951 311 D HN 0.150 nan 8.370 nan 0.000 0.500 312 L N 0.520 121.749 121.223 0.010 0.000 2.042 312 L HA -0.156 4.187 4.340 0.004 0.000 0.210 312 L C 2.183 179.064 176.870 0.018 0.000 1.076 312 L CA 1.617 56.465 54.840 0.013 0.000 0.749 312 L CB -0.856 41.210 42.059 0.012 0.000 0.893 312 L HN -0.041 nan 8.230 nan 0.000 0.432 313 S N -1.845 113.867 115.700 0.020 0.000 2.355 313 S HA -0.193 4.279 4.470 0.004 0.000 0.222 313 S C 1.935 176.550 174.600 0.024 0.000 1.031 313 S CA 1.811 60.026 58.200 0.025 0.000 0.993 313 S CB -0.532 62.686 63.200 0.029 0.000 0.859 313 S HN 0.637 nan 8.310 nan 0.000 0.453 314 T N 2.347 116.912 114.554 0.017 0.000 2.720 314 T HA -0.082 4.270 4.350 0.004 0.000 0.268 314 T C 1.974 176.684 174.700 0.016 0.000 1.037 314 T CA 1.375 63.482 62.100 0.012 0.000 1.144 314 T CB -0.337 68.532 68.868 0.002 0.000 0.864 314 T HN 0.428 nan 8.240 nan 0.000 0.444 315 Q N 0.515 120.325 119.800 0.016 0.000 2.167 315 Q HA -0.035 4.307 4.340 0.004 0.000 0.202 315 Q C 2.537 178.559 176.000 0.036 0.000 0.970 315 Q CA 1.199 57.015 55.803 0.020 0.000 0.855 315 Q CB -0.653 28.093 28.738 0.014 0.000 0.911 315 Q HN 0.515 nan 8.270 nan 0.000 0.438 316 T N 1.518 116.093 114.554 0.035 0.000 2.812 316 T HA -0.026 4.327 4.350 0.004 0.000 0.264 316 T C 2.052 176.786 174.700 0.056 0.000 1.042 316 T CA 0.643 62.767 62.100 0.042 0.000 1.140 316 T CB -0.127 68.762 68.868 0.035 0.000 0.870 316 T HN 0.176 nan 8.240 nan 0.000 0.445 317 I N 0.775 121.377 120.570 0.053 0.000 2.163 317 I HA -0.210 3.963 4.170 0.004 0.000 0.243 317 I C 2.853 179.039 176.117 0.115 0.000 1.085 317 I CA 1.353 62.692 61.300 0.066 0.000 1.347 317 I CB -0.340 37.682 38.000 0.036 0.000 1.044 317 I HN 0.119 nan 8.210 nan 0.000 0.408 318 R N 0.782 121.350 120.500 0.114 0.000 2.083 318 R HA -0.251 4.092 4.340 0.004 0.000 0.237 318 R C 2.285 178.739 176.300 0.257 0.000 1.137 318 R CA 2.075 58.297 56.100 0.203 0.000 0.951 318 R CB -0.179 30.170 30.300 0.082 0.000 0.851 318 R HN 0.380 nan 8.270 nan 0.000 0.434 319 E N -0.398 119.891 120.200 0.149 0.000 2.047 319 E HA -0.190 4.163 4.350 0.004 0.000 0.191 319 E C 1.879 178.546 176.600 0.112 0.000 0.987 319 E CA 1.279 57.753 56.400 0.123 0.000 0.799 319 E CB 0.105 29.849 29.700 0.073 0.000 0.752 319 E HN 0.207 nan 8.360 nan 0.000 0.449 320 M N -0.269 119.390 119.600 0.098 0.000 2.229 320 M HA -0.127 4.356 4.480 0.004 0.000 0.264 320 M C 2.088 178.425 176.300 0.062 0.000 1.063 320 M CA 1.242 56.580 55.300 0.064 0.000 1.114 320 M CB -1.092 31.540 32.600 0.053 0.000 1.387 320 M HN 0.255 nan 8.290 nan 0.000 0.420 321 Y N 1.199 121.475 120.300 -0.039 0.000 2.145 321 Y HA -0.168 4.385 4.550 0.005 0.000 0.286 321 Y C 2.401 178.201 175.900 -0.167 0.000 1.145 321 Y CA 2.103 60.124 58.100 -0.132 0.000 1.148 321 Y CB -0.257 38.075 38.460 -0.213 0.000 0.981 321 Y HN 0.202 nan 8.280 nan 0.000 0.507 322 A N 0.107 122.958 122.820 0.052 0.000 1.898 322 A HA -0.144 4.178 4.320 0.004 0.000 0.216 322 A C 2.238 179.795 177.584 -0.046 0.000 1.181 322 A CA 1.737 53.784 52.037 0.017 0.000 0.620 322 A CB -1.132 17.982 19.000 0.190 0.000 0.819 322 A HN 0.540 nan 8.150 nan 0.000 0.442 323 L N -0.003 121.209 121.223 -0.017 0.000 2.191 323 L HA -0.113 4.229 4.340 0.004 0.000 0.212 323 L C 2.316 179.144 176.870 -0.070 0.000 1.103 323 L CA 1.620 56.443 54.840 -0.029 0.000 0.769 323 L CB -0.448 41.607 42.059 -0.006 0.000 0.908 323 L HN 0.639 nan 8.230 nan 0.000 0.438 324 T N -4.599 109.883 114.554 -0.120 0.000 3.145 324 T HA 0.108 4.461 4.350 0.004 0.000 0.255 324 T C 0.747 175.310 174.700 -0.228 0.000 1.039 324 T CA -0.346 61.665 62.100 -0.149 0.000 0.928 324 T CB 0.282 69.067 68.868 -0.139 0.000 1.029 324 T HN 0.335 nan 8.240 nan 0.000 0.554 325 Q N 0.282 119.924 119.800 -0.263 0.000 2.480 325 Q HA -0.228 4.115 4.340 0.004 0.000 0.265 325 Q C 1.177 176.901 176.000 -0.460 0.000 1.072 325 Q CA 0.550 56.181 55.803 -0.286 0.000 1.018 325 Q CB -2.182 26.457 28.738 -0.165 0.000 1.433 325 Q HN 1.040 nan 8.270 nan 0.000 0.513 326 G N -0.231 108.057 108.800 -0.854 0.000 2.166 326 G HA2 -0.381 3.582 3.960 0.004 0.000 0.260 326 G HA3 -0.381 3.582 3.960 0.004 0.000 0.260 326 G C 0.608 175.227 174.900 -0.468 0.000 0.986 326 G CA 0.736 45.120 45.100 -1.193 0.000 0.683 326 G HN 0.470 nan 8.290 nan 0.000 0.527 327 R N -0.997 119.315 120.500 -0.314 0.000 2.312 327 R HA 0.300 4.642 4.340 0.004 0.000 0.205 327 R C 0.288 176.514 176.300 -0.124 0.000 0.904 327 R CA 0.453 56.453 56.100 -0.168 0.000 1.052 327 R CB 0.836 31.057 30.300 -0.131 0.000 1.014 327 R HN 0.323 nan 8.270 nan 0.000 0.503 328 V N 3.190 123.021 119.914 -0.139 0.000 2.378 328 V HA 0.261 4.384 4.120 0.004 0.000 0.288 328 V C -2.318 173.740 176.094 -0.059 0.000 1.016 328 V CA -2.369 59.879 62.300 -0.086 0.000 0.840 328 V CB 1.691 33.467 31.823 -0.078 0.000 0.994 328 V HN -0.046 nan 8.190 nan 0.000 0.431 329 P HA 0.229 nan 4.420 nan 0.000 0.265 329 P C -0.633 176.632 177.300 -0.058 0.000 1.193 329 P CA 0.375 63.440 63.100 -0.058 0.000 0.765 329 P CB 0.461 32.105 31.700 -0.093 0.000 0.823 330 I N 3.812 124.358 120.570 -0.040 0.000 2.465 330 I HA 0.356 4.529 4.170 0.004 0.000 0.291 330 I C 0.095 176.169 176.117 -0.072 0.000 1.014 330 I CA -0.744 60.537 61.300 -0.032 0.000 1.093 330 I CB 1.582 39.600 38.000 0.030 0.000 1.267 330 I HN 0.119 nan 8.210 nan 0.000 0.431 331 I N 5.307 125.835 120.570 -0.069 0.000 2.304 331 I HA 0.334 4.506 4.170 0.004 0.000 0.291 331 I C 0.708 176.835 176.117 0.016 0.000 1.018 331 I CA -0.281 60.995 61.300 -0.041 0.000 1.260 331 I CB 1.227 39.210 38.000 -0.028 0.000 1.390 331 I HN 0.618 nan 8.210 nan 0.000 0.475 332 G N 5.512 114.326 108.800 0.023 0.000 2.338 332 G HA2 0.519 4.482 3.960 0.004 0.000 0.298 332 G HA3 0.519 4.482 3.960 0.004 0.000 0.298 332 G C -1.051 173.879 174.900 0.051 0.000 1.140 332 G CA -0.320 44.797 45.100 0.030 0.000 0.860 332 G HN 0.419 nan 8.290 nan 0.000 0.470 333 V N 1.537 121.482 119.914 0.052 0.000 2.932 333 V HA 0.934 5.057 4.120 0.004 0.000 0.307 333 V C -0.171 175.956 176.094 0.055 0.000 1.147 333 V CA 0.529 62.866 62.300 0.061 0.000 0.951 333 V CB 1.827 33.694 31.823 0.074 0.000 1.031 333 V HN 2.104 nan 8.190 nan 0.000 0.426 334 G N 3.466 112.301 108.800 0.057 0.000 2.897 334 G HA2 0.521 4.484 3.960 0.004 0.000 0.392 334 G HA3 0.521 4.484 3.960 0.004 0.000 0.392 334 G C 0.643 175.571 174.900 0.048 0.000 1.263 334 G CA 0.237 45.367 45.100 0.050 0.000 1.185 334 G HN 2.408 nan 8.290 nan 0.000 0.573 335 G N -0.585 108.248 108.800 0.055 0.000 2.160 335 G HA2 0.005 3.968 3.960 0.004 0.000 0.251 335 G HA3 0.005 3.968 3.960 0.004 0.000 0.251 335 G C 0.556 175.496 174.900 0.067 0.000 1.008 335 G CA 0.597 45.731 45.100 0.058 0.000 0.724 335 G HN 1.811 nan 8.290 nan 0.000 0.514 336 V N 0.723 120.681 119.914 0.074 0.000 2.427 336 V HA 0.580 4.702 4.120 0.004 0.000 0.268 336 V C 1.139 177.295 176.094 0.103 0.000 1.046 336 V CA 1.184 63.528 62.300 0.073 0.000 0.970 336 V CB 1.460 33.322 31.823 0.066 0.000 1.001 336 V HN 0.506 nan 8.190 nan 0.000 0.476 337 S N 2.832 118.592 115.700 0.100 0.000 2.893 337 S HA 0.288 4.760 4.470 0.004 0.000 0.258 337 S C 0.239 174.865 174.600 0.042 0.000 1.034 337 S CA 0.320 58.606 58.200 0.143 0.000 1.167 337 S CB 0.152 63.511 63.200 0.265 0.000 1.137 337 S HN 0.988 nan 8.310 nan 0.000 0.650 338 S N -1.476 114.228 115.700 0.006 0.000 2.625 338 S HA 0.646 5.119 4.470 0.004 0.000 0.271 338 S C 1.126 175.705 174.600 -0.035 0.000 1.161 338 S CA -0.122 58.054 58.200 -0.040 0.000 0.820 338 S CB 0.554 63.722 63.200 -0.053 0.000 1.137 338 S HN 0.154 nan 8.310 nan 0.000 0.470 339 G N 0.278 109.048 108.800 -0.051 0.000 2.422 339 G HA2 -0.197 3.766 3.960 0.004 0.000 0.218 339 G HA3 -0.197 3.766 3.960 0.004 0.000 0.218 339 G C 1.140 176.026 174.900 -0.023 0.000 1.146 339 G CA 1.166 46.242 45.100 -0.041 0.000 0.769 339 G HN 0.850 nan 8.290 nan 0.000 0.547 340 Q N 0.195 119.982 119.800 -0.021 0.000 2.084 340 Q HA -0.144 4.199 4.340 0.004 0.000 0.202 340 Q C 1.937 177.931 176.000 -0.010 0.000 0.978 340 Q CA 1.693 57.489 55.803 -0.012 0.000 0.844 340 Q CB -0.135 28.595 28.738 -0.013 0.000 0.898 340 Q HN 0.351 nan 8.270 nan 0.000 0.426 341 D N 0.376 120.771 120.400 -0.007 0.000 2.123 341 D HA -0.163 4.480 4.640 0.004 0.000 0.196 341 D C 1.731 178.031 176.300 -0.000 0.000 0.992 341 D CA 1.470 55.471 54.000 0.002 0.000 0.833 341 D CB -0.315 40.494 40.800 0.016 0.000 0.954 341 D HN 0.429 nan 8.370 nan 0.000 0.455 342 A N 0.719 123.538 122.820 -0.003 0.000 1.873 342 A HA -0.122 4.201 4.320 0.004 0.000 0.215 342 A C 2.153 179.721 177.584 -0.025 0.000 1.186 342 A CA 0.976 53.010 52.037 -0.005 0.000 0.616 342 A CB -0.747 18.251 19.000 -0.004 0.000 0.823 342 A HN 0.234 nan 8.150 nan 0.000 0.442 343 L N 0.207 121.412 121.223 -0.030 0.000 2.131 343 L HA -0.117 4.226 4.340 0.004 0.000 0.210 343 L C 2.113 178.951 176.870 -0.054 0.000 1.092 343 L CA 2.133 56.943 54.840 -0.051 0.000 0.759 343 L CB -0.618 41.425 42.059 -0.026 0.000 0.903 343 L HN 0.513 nan 8.230 nan 0.000 0.435 344 E N -0.609 119.572 120.200 -0.031 0.000 2.110 344 E HA -0.236 4.117 4.350 0.004 0.000 0.193 344 E C 2.096 178.670 176.600 -0.043 0.000 0.988 344 E CA 1.239 57.621 56.400 -0.031 0.000 0.804 344 E CB -0.044 29.645 29.700 -0.017 0.000 0.745 344 E HN 0.518 nan 8.360 nan 0.000 0.458 345 K N 0.422 120.800 120.400 -0.037 0.000 2.103 345 K HA -0.064 4.258 4.320 0.004 0.000 0.204 345 K C 2.153 178.707 176.600 -0.075 0.000 1.052 345 K CA 0.753 57.017 56.287 -0.040 0.000 0.945 345 K CB -0.016 32.474 32.500 -0.016 0.000 0.722 345 K HN 0.092 nan 8.250 nan 0.000 0.443 346 I N 0.892 121.407 120.570 -0.092 0.000 2.179 346 I HA -0.291 3.882 4.170 0.004 0.000 0.242 346 I C 2.305 178.310 176.117 -0.186 0.000 1.088 346 I CA 1.345 62.561 61.300 -0.139 0.000 1.357 346 I CB -0.196 37.714 38.000 -0.150 0.000 1.051 346 I HN 0.109 nan 8.210 nan 0.000 0.409 347 R N 0.650 121.050 120.500 -0.166 0.000 2.152 347 R HA -0.100 4.243 4.340 0.004 0.000 0.232 347 R C 2.251 178.473 176.300 -0.130 0.000 1.117 347 R CA 1.295 57.305 56.100 -0.150 0.000 0.981 347 R CB -0.379 29.870 30.300 -0.084 0.000 0.870 347 R HN 0.370 nan 8.270 nan 0.000 0.451 348 A N -0.264 122.487 122.820 -0.116 0.000 2.119 348 A HA 0.124 4.447 4.320 0.004 0.000 0.216 348 A C 1.492 178.987 177.584 -0.149 0.000 1.152 348 A CA 1.293 53.288 52.037 -0.069 0.000 0.708 348 A CB 0.139 19.118 19.000 -0.035 0.000 0.805 348 A HN 0.477 nan 8.150 nan 0.000 0.460 349 G N -2.948 105.631 108.800 -0.369 0.000 2.559 349 G HA2 0.286 4.248 3.960 0.004 0.000 0.202 349 G HA3 0.286 4.248 3.960 0.004 0.000 0.202 349 G C 0.247 174.993 174.900 -0.256 0.000 0.992 349 G CA -0.002 44.645 45.100 -0.755 0.000 0.764 349 G HN 1.249 nan 8.290 nan 0.000 0.525 350 A N 0.678 123.408 122.820 -0.150 0.000 2.409 350 A HA 0.747 5.070 4.320 0.004 0.000 0.262 350 A C 1.361 178.882 177.584 -0.105 0.000 1.113 350 A CA 0.979 52.966 52.037 -0.084 0.000 0.790 350 A CB 0.801 19.767 19.000 -0.057 0.000 1.046 350 A HN 0.656 nan 8.150 nan 0.000 0.496 351 S N 1.172 116.808 115.700 -0.107 0.000 2.446 351 S HA 0.221 4.694 4.470 0.004 0.000 0.225 351 S C 0.422 174.907 174.600 -0.192 0.000 1.016 351 S CA 0.620 58.733 58.200 -0.145 0.000 0.943 351 S CB -0.322 62.779 63.200 -0.165 0.000 0.786 351 S HN 0.595 nan 8.310 nan 0.000 0.508 352 L N 0.717 121.829 121.223 -0.185 0.000 2.415 352 L HA 0.684 5.027 4.340 0.004 0.000 0.256 352 L C -0.879 176.006 176.870 0.024 0.000 1.010 352 L CA -1.067 53.690 54.840 -0.138 0.000 0.826 352 L CB 2.160 43.977 42.059 -0.404 0.000 1.405 352 L HN -0.045 nan 8.230 nan 0.000 0.410 353 V N -1.170 118.833 119.914 0.148 0.000 3.074 353 V HA 0.712 4.835 4.120 0.004 0.000 0.314 353 V C -1.029 175.178 176.094 0.188 0.000 1.117 353 V CA -0.542 61.842 62.300 0.140 0.000 1.014 353 V CB 2.018 33.888 31.823 0.078 0.000 1.057 353 V HN 0.877 nan 8.190 nan 0.000 0.438 354 Q N 1.473 121.336 119.800 0.104 0.000 2.484 354 Q HA 0.852 5.195 4.340 0.004 0.000 0.285 354 Q C -1.504 174.522 176.000 0.044 0.000 1.097 354 Q CA -0.880 54.932 55.803 0.014 0.000 0.802 354 Q CB 2.764 31.491 28.738 -0.018 0.000 1.444 354 Q HN 0.899 nan 8.270 nan 0.000 0.429 355 L N -2.509 118.734 121.223 0.033 0.000 2.415 355 L HA 0.572 4.915 4.340 0.004 0.000 0.256 355 L C -0.941 175.988 176.870 0.099 0.000 1.010 355 L CA -0.476 54.420 54.840 0.094 0.000 0.826 355 L CB 1.354 43.498 42.059 0.140 0.000 1.405 355 L HN 0.868 nan 8.230 nan 0.000 0.410 356 Y N -0.275 120.006 120.300 -0.033 0.000 3.260 356 Y HA 0.010 4.562 4.550 0.004 0.000 0.202 356 Y C 1.605 177.470 175.900 -0.058 0.000 0.962 356 Y CA 0.483 58.537 58.100 -0.077 0.000 1.582 356 Y CB 0.901 39.325 38.460 -0.059 0.000 1.478 356 Y HN 0.680 nan 8.280 nan 0.000 0.384 357 T N 1.837 116.401 114.554 0.016 0.000 2.759 357 T HA -0.200 4.152 4.350 0.004 0.000 0.269 357 T C 1.798 176.509 174.700 0.019 0.000 1.042 357 T CA 1.431 63.461 62.100 -0.118 0.000 1.140 357 T CB -0.559 68.273 68.868 -0.060 0.000 0.864 357 T HN 0.501 nan 8.240 nan 0.000 0.455 358 A N 1.170 124.061 122.820 0.119 0.000 1.978 358 A HA -0.057 4.265 4.320 0.004 0.000 0.220 358 A C 2.195 179.835 177.584 0.093 0.000 1.170 358 A CA 1.234 53.377 52.037 0.177 0.000 0.636 358 A CB -0.767 18.401 19.000 0.280 0.000 0.810 358 A HN 0.416 nan 8.150 nan 0.000 0.448 359 L N 0.469 121.736 121.223 0.074 0.000 2.131 359 L HA -0.122 4.221 4.340 0.004 0.000 0.210 359 L C 2.723 179.551 176.870 -0.070 0.000 1.092 359 L CA 2.698 57.550 54.840 0.019 0.000 0.759 359 L CB -0.783 41.266 42.059 -0.017 0.000 0.903 359 L HN 0.597 nan 8.230 nan 0.000 0.435 360 T N -4.528 109.920 114.554 -0.177 0.000 3.055 360 T HA -0.072 4.280 4.350 0.004 0.000 0.265 360 T C 1.586 175.927 174.700 -0.597 0.000 1.111 360 T CA 1.008 62.891 62.100 -0.361 0.000 1.118 360 T CB -0.565 67.995 68.868 -0.513 0.000 0.909 360 T HN 0.292 nan 8.240 nan 0.000 0.501 361 F N -0.922 118.773 119.950 -0.425 0.000 2.500 361 F HA 0.389 4.918 4.527 0.004 0.000 0.285 361 F C 1.675 177.085 175.800 -0.651 0.000 1.088 361 F CA -0.374 57.167 58.000 -0.765 0.000 1.432 361 F CB 0.162 38.336 39.000 -1.376 0.000 1.131 361 F HN 0.155 nan 8.300 nan 0.000 0.582 362 W N 0.216 121.614 121.300 0.162 0.000 3.058 362 W HA 0.473 5.138 4.660 0.008 0.000 0.306 362 W C 1.173 177.714 176.519 0.037 0.000 1.188 362 W CA 0.280 57.679 57.345 0.090 0.000 1.651 362 W CB -0.027 29.465 29.460 0.053 0.000 1.051 362 W HN 0.111 nan 8.180 nan 0.000 0.592 363 G N 1.201 110.088 108.800 0.145 0.000 2.782 363 G HA2 -0.281 3.682 3.960 0.004 0.000 0.228 363 G HA3 -0.281 3.682 3.960 0.004 0.000 0.228 363 G C -1.771 173.039 174.900 -0.149 0.000 1.372 363 G CA -0.445 44.659 45.100 0.007 0.000 0.862 363 G HN -0.091 nan 8.290 nan 0.000 0.547 364 P HA -0.022 nan 4.420 nan 0.000 0.217 364 P C -1.157 175.961 177.300 -0.303 0.000 1.148 364 P CA 2.303 65.219 63.100 -0.306 0.000 0.828 364 P CB -0.472 31.043 31.700 -0.308 0.000 0.783 365 P HA -0.100 nan 4.420 nan 0.000 0.223 365 P C 1.645 178.861 177.300 -0.139 0.000 1.144 365 P CA 0.739 63.718 63.100 -0.202 0.000 0.783 365 P CB -0.381 31.238 31.700 -0.135 0.000 0.771 366 V N -0.582 119.274 119.914 -0.096 0.000 2.626 366 V HA -0.177 3.946 4.120 0.004 0.000 0.252 366 V C 2.056 178.068 176.094 -0.137 0.000 1.067 366 V CA 1.539 63.809 62.300 -0.052 0.000 1.081 366 V CB -0.687 31.198 31.823 0.104 0.000 0.686 366 V HN -0.069 nan 8.190 nan 0.000 0.468 367 V N 0.757 120.529 119.914 -0.236 0.000 2.261 367 V HA -0.138 3.985 4.120 0.004 0.000 0.246 367 V C 2.731 178.626 176.094 -0.332 0.000 1.047 367 V CA 2.219 64.299 62.300 -0.367 0.000 1.015 367 V CB -1.561 29.859 31.823 -0.672 0.000 0.642 367 V HN 0.598 nan 8.190 nan 0.000 0.446 368 G N -0.618 108.004 108.800 -0.298 0.000 2.432 368 G HA2 -0.282 3.681 3.960 0.004 0.000 0.219 368 G HA3 -0.282 3.681 3.960 0.004 0.000 0.219 368 G C 1.646 176.305 174.900 -0.403 0.000 1.135 368 G CA 0.993 45.877 45.100 -0.360 0.000 0.767 368 G HN 0.484 nan 8.290 nan 0.000 0.550 369 K N 0.217 120.469 120.400 -0.247 0.000 2.026 369 K HA -0.054 4.268 4.320 0.004 0.000 0.208 369 K C 2.548 179.020 176.600 -0.213 0.000 1.048 369 K CA 1.351 57.519 56.287 -0.198 0.000 0.929 369 K CB -0.294 32.118 32.500 -0.147 0.000 0.713 369 K HN 0.185 nan 8.250 nan 0.000 0.439 370 V N 1.951 121.747 119.914 -0.197 0.000 2.332 370 V HA -0.257 3.866 4.120 0.004 0.000 0.248 370 V C 2.249 178.222 176.094 -0.201 0.000 1.055 370 V CA 1.903 64.111 62.300 -0.154 0.000 1.038 370 V CB -0.387 31.376 31.823 -0.101 0.000 0.651 370 V HN 0.366 nan 8.190 nan 0.000 0.450 371 K N -0.297 119.896 120.400 -0.344 0.000 2.057 371 K HA -0.175 4.147 4.320 0.004 0.000 0.206 371 K C 2.402 178.725 176.600 -0.461 0.000 1.050 371 K CA 1.432 57.460 56.287 -0.432 0.000 0.935 371 K CB -0.249 31.828 32.500 -0.705 0.000 0.715 371 K HN 0.316 nan 8.250 nan 0.000 0.439 372 R N 1.745 121.871 120.500 -0.623 0.000 2.081 372 R HA -0.158 4.184 4.340 0.004 0.000 0.235 372 R C 1.784 178.044 176.300 -0.065 0.000 1.131 372 R CA 1.674 57.637 56.100 -0.229 0.000 0.960 372 R CB 0.035 30.252 30.300 -0.138 0.000 0.856 372 R HN 0.225 nan 8.270 nan 0.000 0.436 373 E N 0.317 120.456 120.200 -0.101 0.000 2.106 373 E HA -0.197 4.155 4.350 0.004 0.000 0.192 373 E C 1.941 178.526 176.600 -0.024 0.000 0.984 373 E CA 1.023 57.393 56.400 -0.051 0.000 0.806 373 E CB -0.097 29.563 29.700 -0.066 0.000 0.750 373 E HN 0.206 nan 8.360 nan 0.000 0.458 374 L N 1.653 122.852 121.223 -0.040 0.000 2.046 374 L HA -0.188 4.154 4.340 0.004 0.000 0.208 374 L C 2.238 179.127 176.870 0.031 0.000 1.077 374 L CA 1.925 56.759 54.840 -0.009 0.000 0.747 374 L CB -0.379 41.667 42.059 -0.022 0.000 0.896 374 L HN 0.067 nan 8.230 nan 0.000 0.432 375 E N -0.526 119.706 120.200 0.053 0.000 2.058 375 E HA -0.256 4.097 4.350 0.004 0.000 0.194 375 E C 2.066 178.718 176.600 0.086 0.000 0.997 375 E CA 1.287 57.746 56.400 0.098 0.000 0.801 375 E CB -0.202 29.599 29.700 0.170 0.000 0.746 375 E HN 0.618 nan 8.360 nan 0.000 0.450 376 A N 0.938 123.799 122.820 0.069 0.000 1.902 376 A HA -0.141 4.182 4.320 0.004 0.000 0.217 376 A C 2.212 179.830 177.584 0.056 0.000 1.181 376 A CA 1.165 53.236 52.037 0.057 0.000 0.623 376 A CB -0.607 18.417 19.000 0.040 0.000 0.818 376 A HN 0.317 nan 8.150 nan 0.000 0.443 377 L N -0.766 120.491 121.223 0.056 0.000 2.093 377 L HA -0.137 4.206 4.340 0.004 0.000 0.208 377 L C 2.542 179.489 176.870 0.128 0.000 1.085 377 L CA 0.805 55.687 54.840 0.071 0.000 0.755 377 L CB -0.497 41.596 42.059 0.056 0.000 0.904 377 L HN 0.366 nan 8.230 nan 0.000 0.435 378 L N -0.234 121.076 121.223 0.146 0.000 2.012 378 L HA -0.258 4.085 4.340 0.004 0.000 0.210 378 L C 2.652 179.647 176.870 0.208 0.000 1.073 378 L CA 1.551 56.543 54.840 0.252 0.000 0.748 378 L CB -0.452 41.709 42.059 0.171 0.000 0.891 378 L HN 0.218 nan 8.230 nan 0.000 0.431 379 K N -0.092 120.379 120.400 0.118 0.000 2.026 379 K HA -0.185 4.138 4.320 0.004 0.000 0.208 379 K C 1.984 178.605 176.600 0.035 0.000 1.048 379 K CA 1.464 57.793 56.287 0.070 0.000 0.929 379 K CB -0.155 32.379 32.500 0.056 0.000 0.713 379 K HN 0.350 nan 8.250 nan 0.000 0.439 380 E N 0.813 121.036 120.200 0.039 0.000 2.153 380 E HA -0.197 4.156 4.350 0.004 0.000 0.194 380 E C 1.487 178.074 176.600 -0.021 0.000 0.988 380 E CA 1.023 57.430 56.400 0.012 0.000 0.811 380 E CB 0.088 29.800 29.700 0.021 0.000 0.746 380 E HN 0.355 nan 8.360 nan 0.000 0.466 381 Q N -0.909 118.880 119.800 -0.018 0.000 2.220 381 Q HA 0.151 4.493 4.340 0.004 0.000 0.205 381 Q C 0.600 176.339 176.000 -0.436 0.000 0.865 381 Q CA 0.307 56.027 55.803 -0.138 0.000 0.960 381 Q CB 1.320 30.070 28.738 0.020 0.000 1.097 381 Q HN 0.364 nan 8.270 nan 0.000 0.493 382 G N 0.783 109.417 108.800 -0.277 0.000 2.141 382 G HA2 -0.265 3.698 3.960 0.004 0.000 0.242 382 G HA3 -0.265 3.698 3.960 0.004 0.000 0.242 382 G C -0.207 174.500 174.900 -0.320 0.000 0.982 382 G CA -0.405 44.518 45.100 -0.294 0.000 0.662 382 G HN 0.305 nan 8.290 nan 0.000 0.527 383 F N 0.550 120.505 119.950 0.009 0.000 2.396 383 F HA 0.518 5.047 4.527 0.003 0.000 0.343 383 F C 1.767 177.576 175.800 0.015 0.000 1.104 383 F CA 0.146 58.152 58.000 0.011 0.000 1.161 383 F CB 1.573 40.579 39.000 0.010 0.000 1.146 383 F HN -0.011 nan 8.300 nan 0.000 0.522 384 G N 1.729 110.648 108.800 0.198 0.000 2.484 384 G HA2 0.362 4.325 3.960 0.004 0.000 0.218 384 G HA3 0.362 4.325 3.960 0.004 0.000 0.218 384 G C 0.491 175.461 174.900 0.117 0.000 1.130 384 G CA 0.674 45.847 45.100 0.121 0.000 0.784 384 G HN 0.987 nan 8.290 nan 0.000 0.543 385 G N -2.029 106.852 108.800 0.136 0.000 2.495 385 G HA2 0.323 4.286 3.960 0.004 0.000 0.294 385 G HA3 0.323 4.286 3.960 0.004 0.000 0.294 385 G C 0.423 175.342 174.900 0.031 0.000 1.397 385 G CA 0.162 45.312 45.100 0.084 0.000 0.790 385 G HN 0.082 nan 8.290 nan 0.000 0.486 386 V N 0.350 120.263 119.914 -0.001 0.000 2.324 386 V HA -0.175 3.948 4.120 0.004 0.000 0.250 386 V C 3.121 179.156 176.094 -0.099 0.000 1.060 386 V CA 2.964 65.223 62.300 -0.068 0.000 1.042 386 V CB -0.904 30.899 31.823 -0.032 0.000 0.650 386 V HN 0.855 nan 8.190 nan 0.000 0.450 387 T N -0.488 114.042 114.554 -0.039 0.000 2.759 387 T HA -0.202 4.150 4.350 0.004 0.000 0.269 387 T C 1.584 176.262 174.700 -0.036 0.000 1.042 387 T CA 1.645 63.726 62.100 -0.032 0.000 1.140 387 T CB -0.388 68.482 68.868 0.004 0.000 0.864 387 T HN 0.540 nan 8.240 nan 0.000 0.455 388 D N 1.265 121.661 120.400 -0.007 0.000 2.264 388 D HA 0.033 4.676 4.640 0.004 0.000 0.208 388 D C 2.099 178.365 176.300 -0.058 0.000 0.966 388 D CA 0.882 54.920 54.000 0.064 0.000 0.864 388 D CB -0.108 40.825 40.800 0.221 0.000 0.933 388 D HN 0.463 nan 8.370 nan 0.000 0.499 389 A N 0.504 123.077 122.820 -0.411 0.000 2.132 389 A HA 0.104 4.427 4.320 0.004 0.000 0.213 389 A C 1.261 178.596 177.584 -0.415 0.000 1.154 389 A CA -0.253 51.245 52.037 -0.898 0.000 0.753 389 A CB -0.127 18.102 19.000 -1.284 0.000 0.826 389 A HN 0.100 nan 8.150 nan 0.000 0.469 390 I N 0.899 121.324 120.570 -0.241 0.000 2.664 390 I HA 0.188 4.361 4.170 0.004 0.000 0.284 390 I C 1.524 177.534 176.117 -0.178 0.000 1.154 390 I CA 1.218 62.407 61.300 -0.185 0.000 1.402 390 I CB -0.116 37.823 38.000 -0.102 0.000 1.395 390 I HN 0.452 nan 8.210 nan 0.000 0.545 391 G N 4.560 113.167 108.800 -0.323 0.000 2.148 391 G HA2 -0.341 3.622 3.960 0.004 0.000 0.254 391 G HA3 -0.341 3.622 3.960 0.004 0.000 0.254 391 G C 1.099 175.978 174.900 -0.035 0.000 0.981 391 G CA 0.416 45.263 45.100 -0.422 0.000 0.670 391 G HN 0.850 nan 8.290 nan 0.000 0.528 392 A N 0.109 122.911 122.820 -0.031 0.000 1.978 392 A HA 0.014 4.336 4.320 0.004 0.000 0.220 392 A C 2.001 179.644 177.584 0.097 0.000 1.170 392 A CA 2.298 54.386 52.037 0.086 0.000 0.636 392 A CB -0.327 18.769 19.000 0.160 0.000 0.810 392 A HN 0.410 nan 8.150 nan 0.000 0.448 393 D N -0.810 119.611 120.400 0.035 0.000 2.218 393 D HA -0.113 4.529 4.640 0.004 0.000 0.204 393 D C 1.520 177.780 176.300 -0.067 0.000 0.976 393 D CA 1.024 54.999 54.000 -0.042 0.000 0.853 393 D CB -0.433 40.277 40.800 -0.151 0.000 0.939 393 D HN 0.666 nan 8.370 nan 0.000 0.481 394 H N -0.156 118.923 119.070 0.014 0.000 2.547 394 H HA 0.147 4.705 4.556 0.004 0.000 0.272 394 H C 0.817 176.188 175.328 0.072 0.000 0.989 394 H CA 0.445 56.534 56.048 0.067 0.000 1.214 394 H CB 0.828 30.686 29.762 0.160 0.000 1.389 394 H HN 0.070 nan 8.280 nan 0.000 0.577 395 R N 0.000 120.601 120.500 0.168 0.000 2.786 395 R HA 0.000 4.343 4.340 0.004 0.000 0.208 395 R CA 0.000 56.172 56.100 0.121 0.000 0.921 395 R CB 0.000 30.373 30.300 0.121 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535